From ef0f9c0451c2ffd425d035c50513f1e92f61504f Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Fri, 29 Jun 2018 12:26:19 +0100
Subject: [PATCH 001/273] First attempt at permanent PLUMED interface

---
 doc/src/fix_plumed.html        | 118 +++++++
 src/.gitignore                 |   5 +
 src/USER-PLUMED/Install.sh     |  39 +++
 src/USER-PLUMED/Plumed.cpp     | 471 +++++++++++++++++++++++++++
 src/USER-PLUMED/Plumed.h       | 577 +++++++++++++++++++++++++++++++++
 src/USER-PLUMED/Plumed.inc     |   3 +
 src/USER-PLUMED/README         |  55 ++++
 src/USER-PLUMED/fix_plumed.cpp | 291 +++++++++++++++++
 src/USER-PLUMED/fix_plumed.h   |  53 +++
 9 files changed, 1612 insertions(+)
 create mode 100644 doc/src/fix_plumed.html
 create mode 100755 src/USER-PLUMED/Install.sh
 create mode 100644 src/USER-PLUMED/Plumed.cpp
 create mode 100644 src/USER-PLUMED/Plumed.h
 create mode 100644 src/USER-PLUMED/Plumed.inc
 create mode 100644 src/USER-PLUMED/README
 create mode 100644 src/USER-PLUMED/fix_plumed.cpp
 create mode 100644 src/USER-PLUMED/fix_plumed.h

diff --git a/doc/src/fix_plumed.html b/doc/src/fix_plumed.html
new file mode 100644
index 0000000000..4342403e84
--- /dev/null
+++ b/doc/src/fix_plumed.html
@@ -0,0 +1,118 @@
+<HTML>
+<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> 
+</CENTER>
+
+
+
+
+
+
+<HR>
+
+<H3>fix plumed command 
+</H3>
+<P><B>Syntax:</B>
+</P>
+<PRE>fix ID group-ID plumed keyword value ...
+</PRE>
+<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command 
+
+<LI>plumed = style name of this fix command 
+
+<LI>keyword = <I>plumedfile</I> or <I>outfile</I>  
+
+<PRE>  <I>plumedfile</I> arg = name of PLUMED input file to use
+  <I>outfile </I> arg = name of file on which to write the PLUMED log
+</PRE>
+
+</UL>
+<P><B>Examples:</B>
+</P>
+<PRE>
+  fix pl all plumed all plumed plumedfile plumed.dat outfile p.log 
+</PRE>
+<P><B>Description:</B>
+</P>
+<P>
+This fix instructs LAMMPS to call the PLUMED library, which allows one 
+to perform various forms of trajectory analysis on the fly and to also use
+methods such as umbrella sampling and metadynamics to enhance the sampling of 
+phase space.
+</P>
+<P>The documentation included here only describes the fix plumed command.  This command
+is LAMMPS specific whereas most of the functionality implemented in PLUMED will work with a 
+range of MD codes and also when PLUMED is used as a stand alone code.  The full documentation 
+for PLUMED is available at <A HREF="http://www.plumed.org/documentation">this website</A>
+</P>
+<P>The PLUMED library is developed at <A HREF = "https://github.com/plumed/plumed2">https://github.com/plumed/plumed2</A>
+A detailed discussion of the code can be found in <A HREF = "#PLUMED">(PLUMED)</A>.
+</P>
+<P>There are some example scripts for using this package with LAMMPS in the
+examples/USER/plumed directory.
+</P>
+<HR>
+
+<P>The command to call PLUMED above is reasonably self explanatory.  Within the input file 
+for lammps the user is required to specify the input file for PLUMED and a file on which 
+to output the PLUMED log.  The user must specify both of these arguments every time 
+PLUMED is to be used.  Furthermore, the fix plumed command should appear in the LAMMPS input
+file after the relevant input paramters (e.g. the timestep) have been set.  
+</P>
+<P>The <I>group-ID</I> entry is ignored. LAMMPS will always pass all the atoms to PLUMED 
+and there can only be one instance of the plumed fix at a time. The plumed fix communicates
+the minimum amount of information required and the PLUMED supports multiple, completely 
+independent collective variables, multiple independent biases and multiple independent forms of analysis.
+There is thus really no restriction in functionality by only allowing only one plumed fix in the LAMMPS input.
+</P>
+<P>The <I>plumedfile</I> keyword allows the user to specify the name of the PLUMED input file.
+Instructions as to what should be included in a plumed input file can be found in the 
+<A HREF="http://www.plumed.org/documentation">documentation for PLUMED</A>.
+</P>
+<P>The <I>outfile</I> keyword allows the user to specify the name of a file on which to output
+the PLUMED log.  This log file normally just parots the information that is contained in the input 
+file.  The names of the files on which the results from the various analyses that have been performed 
+using PLUMED will be specified by the user in the PLUMED input file. 
+</P>
+<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
+</P>
+<P>
+When performing a restart of a calculation that involves PLUMED you must include a RESTART command
+in the PLUMED input file as detailed in the <A HREF="http://www.plumed.org/documentation">PLUMED documentation.</A>  When the restart 
+command is found in the PLUMED input PLUMED will append to the files that were generated in the run
+that was performed previously.  Furthermore, any history dependent bias potentials that were accumulated in 
+previous calculations will be read in when the restart command is included in the PLUMED input. 
+</P>
+<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is not supported by this fix.  
+</P>
+<P>Nothing is computed by this fix that can be accessed by any of the 
+<A HREF = "Section_howto.html#howto_15">output commands</A> within LAMMPS.  All the quantities
+of interest can be output by commands that are native to PLUMED, however. 
+</P>
+<P><B>Restrictions:</B>
+</P>
+<P>This fix is part of the USER-PLUMED package.  It is only enabled if
+LAMMPS was built with that package.  See the <A HREF = "Section_start.html#start_3">Making
+LAMMPS</A> section for more info.
+</P>
+<P>There can only be one plumed fix active at a time. Since the interface
+communicates only the minimum amount of information and since the PLUMED module
+itself can handle an arbitrary number of analysis and biasing methods, this is
+not a limitation of functionality.
+</P>
+<P><B>Related commands:</B>
+</P>
+<P><A HREF = "fix_smd.html">fix smd</A>
+<P><A HREF = "fix_colvars.html">fix colvars</A>
+</P>
+<P><B>Default:</B>
+</P>
+<P>The default options are plumedfile = NULL and outfile = NULL  
+</P>
+<HR>
+
+<A NAME = "PLUMED"></A>
+
+<P><B>(PLUMED)</B> G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) DOI:https://doi.org/10.1016/j.cpc.2013.09.018
+</P>
+<!-- PAGE BREAK -->
+</HTML>
diff --git a/src/.gitignore b/src/.gitignore
index 92933ce5ee..b84ab65787 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -53,6 +53,11 @@
 /colvarproxy_lammps_version.h
 /fix_colvars.cpp
 /fix_colvars.h
+/fix_plumed.cpp
+/fix_plumed.h
+/Plumed.cpp
+/Plumed.h
+/Plumed.inc
 /dump_molfile.cpp
 /dump_molfile.h
 /molfile_interface.cpp
diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
new file mode 100755
index 0000000000..3e0bef56ca
--- /dev/null
+++ b/src/USER-PLUMED/Install.sh
@@ -0,0 +1,39 @@
+# Install/unInstall package files in LAMMPS
+# edit 2 Makefile.package files to include/exclude ATC info
+
+if (test $1 = 1) then
+
+  if (test -e ../Makefile.package) then
+    sed -i -e 's|^PKG_LIB =[ \t]*|& $(PLUMED_LOAD) |' ../Makefile.package
+  fi
+
+  if (test -e ../Makefile.package.settings) then
+    # multiline form needed for BSD sed on Macs
+    sed -i -e '4 i \
+include ..\/Plumed.inc
+' ../Makefile.package.settings
+  fi
+
+  cp fix_plumed.cpp ..
+  cp fix_plumed.h ..
+  cp Plumed.h ..
+  cp Plumed.cpp ..
+  cp Plumed.inc ..
+
+elif (test $1 = 0) then
+
+  if (test -e ../Makefile.package) then
+    sed -i -e 's/[^ \t]* \$(PLUMED_LOAD)[^ \t]* //' ../Makefile.package
+  fi
+
+  if (test -e ../Makefile.package.settings) then
+    sed -i -e '/^include.*Plumed\.inc.*$/d' ../Makefile.package.settings
+  fi
+
+  rm -f ../fix_plumed.cpp
+  rm -f ../fix_plumed.h
+  rm -f ../Plumed.h
+  rm -f ../Plumed.cpp
+  rm -f ../Plumed.inc
+
+fi
diff --git a/src/USER-PLUMED/Plumed.cpp b/src/USER-PLUMED/Plumed.cpp
new file mode 100644
index 0000000000..f279c4a0eb
--- /dev/null
+++ b/src/USER-PLUMED/Plumed.cpp
@@ -0,0 +1,471 @@
+/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+   Copyright (c) 2011-2018 The plumed team
+   (see the PEOPLE file at the root of the distribution for a list of names)
+
+   See http://www.plumed.org for more information.
+
+   This file is part of plumed, version 2.
+
+   plumed is free software: you can redistribute it and/or modify
+   it under the terms of the GNU Lesser General Public License as published by
+   the Free Software Foundation, either version 3 of the License, or
+   (at your option) any later version.
+
+   plumed is distributed in the hope that it will be useful,
+   but WITHOUT ANY WARRANTY; without even the implied warranty of
+   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+   GNU Lesser General Public License for more details.
+
+   You should have received a copy of the GNU Lesser General Public License
+   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
+#include "Plumed.h"
+
+#ifdef __PLUMED_HAS_DLOPEN
+#include <dlfcn.h>
+#endif
+#include <stdio.h>
+#include <string.h>
+#include <assert.h>
+#include <stdlib.h>
+#include <limits.h>
+
+/* DECLARATION USED ONLY IN THIS FILE */
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/**
+  Function pointer to plumed_create
+*/
+
+typedef void*(*plumed_create_pointer)(void);
+/**
+  Function pointer to plumed_cmd
+*/
+typedef void(*plumed_cmd_pointer)(void*,const char*,const void*);
+
+/**
+  Function pointer to plumed_finalize
+*/
+typedef void(*plumed_finalize_pointer)(void*);
+
+/**
+   Holder for plumedmain function pointers.
+*/
+typedef struct {
+  plumed_create_pointer create;
+  plumed_cmd_pointer cmd;
+  plumed_finalize_pointer finalize;
+} plumed_plumedmain_function_holder;
+
+/**
+   Holder for plumed symbol table.
+*/
+typedef struct {
+  int version;
+  plumed_plumedmain_function_holder functions;
+} plumed_symbol_table_type;
+
+/**
+  Register for plumedmain function pointers
+*/
+plumed_plumedmain_function_holder* plumed_kernel_register(const plumed_plumedmain_function_holder*);
+
+#ifdef __PLUMED_STATIC_KERNEL
+/* Real interface */
+void*plumed_plumedmain_create(void);
+void plumed_plumedmain_cmd(void*,const char*,const void*);
+void plumed_plumedmain_finalize(void*);
+#else
+/* dummy interface */
+void*plumed_dummy_create(void);
+void plumed_dummy_cmd(void*,const char*,const void*);
+void plumed_dummy_finalize(void*);
+#endif
+
+#ifdef __cplusplus
+}
+#endif
+
+/* END OF DECLARATION USED ONLY IN THIS FILE */
+
+/* These are the dummy routines which are used when plumed is not available */
+
+#ifdef __PLUMED_STATIC_KERNEL
+
+static int installed=1;
+
+#else
+
+static int installed=0;
+
+static int dummy;
+
+void*plumed_dummy_create(void) {
+  return (void*)&dummy;
+}
+
+void plumed_dummy_cmd(void*p,const char*key,const void*val) {
+  (void) p;   /* avoid warning on unused parameter */
+  (void) key; /* avoid warning on unused parameter */
+  (void) val; /* avoid warning on unused parameter */
+  fprintf(stderr,"+++ ERROR: you are trying to use plumed, but it is not available +++\n");
+  fprintf(stderr,"+++ Check your PLUMED_KERNEL environment variable +++\n");
+  exit(1);
+}
+
+void plumed_dummy_finalize(void*p) {
+  (void) p; /* avoid warning on unused parameter */
+}
+
+#endif
+
+plumed_plumedmain_function_holder* plumed_kernel_register(const plumed_plumedmain_function_holder* f) {
+  /*
+    Argument f is present for historical reasons but ignored in PLUMED>=2.5.
+  */
+  if(f) {
+    if(getenv("PLUMED_LOAD_DEBUG")) {
+      fprintf(stderr,"+++ Ignoring registration at %p (%p,%p,%p) +++\n",(void*)f,(void*)f->create,(void*)f->cmd,(void*)f->finalize);
+    }
+  }
+#ifdef __PLUMED_STATIC_KERNEL
+  /*
+    When __PLUMED_STATIC_KERNEL is defined, the function holder is initialized
+    to statically bound plumed_plumedmain_create, plumed_plumedmain_cmd, plumed_plumedmain_finalize and
+    cannot be changed. This saves from mis-set values for PLUMED_KERNEL.
+  */
+  static plumed_plumedmain_function_holder g= {plumed_plumedmain_create,plumed_plumedmain_cmd,plumed_plumedmain_finalize};
+#else
+  /*
+    On the other hand, for runtime binding, we use dlsym to find the relevant functions.
+    Notice that as of PLUMED 2.5 self registration of the kernel is ignored, so argument f
+    is not used anymore.
+    Also notice that we should put some guard here for safe multithread calculations.
+  */
+  static plumed_plumedmain_function_holder g= {plumed_dummy_create,plumed_dummy_cmd,plumed_dummy_finalize};
+  static int first=1;
+#ifdef __PLUMED_HAS_DLOPEN
+  const char* path;
+  char* pathcopy;
+  void* p;
+  char* pc;
+  plumed_symbol_table_type* plumed_symbol_table_ptr;
+  plumed_plumedmain_function_holder functions;
+  char* debug;
+  size_t strlenpath;
+  int dlopenmode;
+  /*
+    f==NULL is required here otherwise we would enter this block a second time
+    when plumed_kernel_register is called by the just loaded shared library.
+  */
+  if(first && f==NULL) {
+    path=getenv("PLUMED_KERNEL");
+    debug=getenv("PLUMED_LOAD_DEBUG");
+#ifdef __PLUMED_DEFAULT_KERNEL
+    /*
+      This variable allows a default path for the kernel to be hardcoded.
+      Can be useful for hardcoding the predefined plumed location
+      still allowing the user to override this choice setting PLUMED_KERNEL.
+      The path should be chosen at compile time adding e.g.
+      -D__PLUMED_DEFAULT_KERNEL=/opt/local/lib/libplumed.dylib
+    */
+    /* This is required to add quotes */
+#define PLUMED_QUOTE_DIRECT(name) #name
+#define PLUMED_QUOTE(macro) PLUMED_QUOTE_DIRECT(macro)
+    if(! (path && (*path) )) path=PLUMED_QUOTE(__PLUMED_DEFAULT_KERNEL);
+#endif
+    if(path && (*path)) {
+      fprintf(stderr,"+++ Loading the PLUMED kernel runtime +++\n");
+      fprintf(stderr,"+++ PLUMED_KERNEL=\"%s\" +++\n",path);
+      if(getenv("PLUMED_LOAD_NAMESPACE") && !strcmp(getenv("PLUMED_LOAD_NAMESPACE"),"LOCAL")) {
+        dlopenmode=RTLD_NOW|RTLD_LOCAL;
+        if(debug) fprintf(stderr,"+++ Loading with mode RTLD_NOW|RTLD_LOCAL +++\n");
+      } else {
+        dlopenmode=RTLD_NOW|RTLD_GLOBAL;
+        if(debug) fprintf(stderr,"+++ Loading with mode RTLD_NOW|RTLD_GLOBAL +++\n");
+      }
+      p=dlopen(path,dlopenmode);
+      if(!p) {
+        /*
+          Something went wrong. We try to remove "Kernel" string from the PLUMED_KERNEL variable
+          and load directly the shared library. Notice that this particular path is only expected
+          to be necessary when using PLUMED<=2.4 and the symbols in the main executable are
+          not visible. All the other cases (either PLUMED>=2.5 or symbols in the main executable visible)
+          should work correctly without entering here.
+        */
+        fprintf(stderr,"+++ An error occurred. Message from dlopen(): %s +++\n",dlerror());
+        strlenpath=strlen(path);
+        pathcopy=(char*) malloc(strlenpath+1);
+        strncpy(pathcopy,path,strlenpath+1);
+        pc=pathcopy+strlenpath-6;
+        while(pc>=pathcopy && memcmp(pc,"Kernel",6)) pc--;
+        if(pc>=pathcopy) {
+          memmove(pc, pc+6, strlen(pc)-5);
+          fprintf(stderr,"+++ Trying %s +++\n",pathcopy);
+          p=dlopen(pathcopy,dlopenmode);
+          if(!p) fprintf(stderr,"+++ An error occurred. Message from dlopen(): %s +++\n",dlerror());
+        }
+        free(pathcopy);
+      }
+      if(p) {
+        functions.create=NULL;
+        functions.cmd=NULL;
+        functions.finalize=NULL;
+      /*
+        If the library was loaded, use dlsym to initialize pointers.
+        Notice that as of PLUMED 2.5 we ignore self registrations.
+        Pointers are searched in the form of a single pointer to a structure, which
+        is the standard way in PLUMED 2.5, as well as using alternative names used in
+        PLUMED 2.0 to 2.4 (e.g. plumedmain_create) and in some intermediate versions between
+        PLUMED 2.4 and 2.5 (e.g. plumed_plumedmain_create). The last chance is probably
+        unnecessary and might be removed at some point.
+      */
+        plumed_symbol_table_ptr=(plumed_symbol_table_type*) dlsym(p,"plumed_symbol_table");
+        if(plumed_symbol_table_ptr) functions=plumed_symbol_table_ptr->functions;
+        if(debug && plumed_symbol_table_ptr) {
+          fprintf(stderr,"+++ plumed_symbol_table version %i found at %p +++\n",plumed_symbol_table_ptr->version,(void*)plumed_symbol_table_ptr);
+          fprintf(stderr,"+++ plumed_function_pointers found at %p (%p,%p,%p) +++\n",(void*)&plumed_symbol_table_ptr->functions,(void*)functions.create,(void*)functions.cmd,(void*)functions.finalize);
+        }
+
+        if(!functions.create) {
+          functions.create=(plumed_create_pointer) dlsym(p,"plumedmain_create");
+          if(debug && functions.create) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_create",(void*)functions.create);
+        }
+        if(!functions.create) {
+          functions.create=(plumed_create_pointer) dlsym(p,"plumed_plumedmain_create");
+          if(debug && functions.create) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_create",(void*)functions.create);
+        }
+
+        if(!functions.cmd) {
+          functions.cmd=(plumed_cmd_pointer) dlsym(p,"plumedmain_cmd");
+          if(debug && functions.cmd) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_cmd",(void*)functions.cmd);
+        }
+        if(!functions.cmd) {
+          functions.cmd=(plumed_cmd_pointer) dlsym(p,"plumed_plumedmain_cmd");
+          if(debug && functions.cmd) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_cmd",(void*)functions.cmd);
+        }
+
+        if(!functions.finalize) {
+          functions.finalize=(plumed_finalize_pointer) dlsym(p,"plumedmain_finalize");
+          if(debug && functions.finalize) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_finalize",(void*)functions.finalize);
+        }
+        if(!functions.finalize) {
+          functions.finalize=(plumed_finalize_pointer) dlsym(p,"plumed_plumedmain_finalize");
+          if(debug && functions.finalize) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_finalize",(void*)functions.finalize);
+        }
+
+        if(functions.create && functions.cmd && functions.finalize) {
+          g=functions;
+          installed=1;
+        } else {
+          if(!functions.create) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_create not found +++\n");
+          if(!functions.cmd) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_cmd not found +++\n");
+          if(!functions.finalize) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_finalize not found +++\n");
+        }
+      }
+    }
+    first=0;
+  }
+#endif
+#endif
+  return &g;
+}
+
+/* C wrappers: */
+
+plumed plumed_create(void) {
+  plumed p;
+  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
+  assert(h);
+  assert(h->create);
+  p.p=(*(h->create))();
+  assert(p.p);
+  return p;
+}
+
+void plumed_cmd(plumed p,const char*key,const void*val) {
+  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
+  assert(p.p);
+  assert(h);
+  assert(h->cmd);
+  (*(h->cmd))(p.p,key,val);
+}
+
+void plumed_finalize(plumed p) {
+  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
+  assert(p.p);
+  assert(h);
+  assert(h->finalize);
+  (*(h->finalize))(p.p);
+  p.p=NULL;
+}
+
+int plumed_installed(void) {
+  plumed_kernel_register(NULL);
+  return installed;
+}
+
+/* we declare a Plumed_g_main object here, in such a way that it is always available */
+
+static plumed gmain= {NULL};
+
+plumed plumed_global(void) {
+  return gmain;
+}
+
+void plumed_gcreate(void) {
+  assert(gmain.p==NULL);
+  gmain=plumed_create();
+}
+
+void plumed_gcmd(const char*key,const void*val) {
+  assert(gmain.p);
+  plumed_cmd(gmain,key,val);
+}
+
+void plumed_gfinalize(void) {
+  assert(gmain.p);
+  plumed_finalize(gmain);
+  gmain.p=NULL;
+}
+
+int plumed_ginitialized(void) {
+  if(gmain.p) return 1;
+  else                return 0;
+}
+
+void plumed_c2f(plumed p,char*c) {
+  unsigned i;
+  unsigned char* cc;
+  /*
+    Convert the address stored in p.p into a proper FORTRAN string
+    made of only ASCII characters. For this to work, the two following
+    assertions should be satisfied:
+  */
+  assert(CHAR_BIT<=12);
+  assert(sizeof(p.p)<=16);
+
+  assert(c);
+  cc=(unsigned char*)&p.p;
+  for(i=0; i<sizeof(p.p); i++) {
+    /*
+      characters will range between '0' (ASCII 48) and 'o' (ASCII 111=48+63)
+    */
+    c[2*i]=cc[i]/64+48;
+    c[2*i+1]=cc[i]%64+48;
+  }
+}
+
+plumed plumed_f2c(const char*c) {
+  plumed p;
+  unsigned i;
+  unsigned char* cc;
+
+  assert(CHAR_BIT<=12);
+  assert(sizeof(p.p)<=16);
+
+  assert(c);
+  cc=(unsigned char*)&p.p;
+  for(i=0; i<sizeof(p.p); i++) {
+    /*
+      perform the reversed transform
+    */
+    cc[i]=(c[2*i]-48)*64 + (c[2*i+1]-48);
+  }
+  return p;
+}
+
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/*
+  Fortran wrappers
+  These are just like the global C wrappers. They are
+  just defined here and not declared in the .h file since they
+  should not be used from c/c++ anyway.
+*/
+
+/*
+  First we assume no name mangling
+*/
+
+void plumed_f_installed(int*i) {
+  assert(i);
+  *i=plumed_installed();
+}
+
+void plumed_f_ginitialized(int*i) {
+  assert(i);
+  *i=plumed_ginitialized();
+}
+
+void plumed_f_gcreate(void) {
+  plumed_gcreate();
+}
+
+void plumed_f_gcmd(char*key,void*val) {
+  plumed_gcmd(key,val);
+}
+
+void plumed_f_gfinalize(void) {
+  plumed_gfinalize();
+}
+
+void plumed_f_create(char*c) {
+  plumed p;
+  p=plumed_create();
+  plumed_c2f(p,c);
+}
+
+void plumed_f_cmd(char*c,char*key,void*val) {
+  plumed p;
+  p=plumed_f2c(c);
+  plumed_cmd(p,key,val);
+}
+
+void plumed_f_finalize(char*c) {
+  plumed p;
+  p=plumed_f2c(c);
+  plumed_finalize(p);
+}
+
+void plumed_f_global(char*c) {
+  plumed_c2f(gmain,c);
+}
+
+/*
+  Then we add wrappers for there functions to cover all
+  the possible fortran mangling schemes, which should be:
+  without underscore, with one underscore and with two underscores
+  lower or upper case
+*/
+
+#define IMPLEMENT(lower,upper,implem) \
+  void lower ##_  implem \
+  void lower ##__ implem \
+  void upper      implem \
+  void upper ##_  implem \
+  void upper ##__ implem
+
+IMPLEMENT(plumed_f_gcreate,     PLUMED_F_GCREATE,     (void) {plumed_f_gcreate();})
+IMPLEMENT(plumed_f_gcmd,        PLUMED_F_GCMD,        (char* key,void* val) {plumed_f_gcmd(key,val);})
+IMPLEMENT(plumed_f_gfinalize,   PLUMED_F_GFINALIZE,   (void) {plumed_f_gfinalize();})
+IMPLEMENT(plumed_f_ginitialized,PLUMED_F_GINITIALIZED,(int*i) {plumed_f_ginitialized(i);})
+IMPLEMENT(plumed_f_create,      PLUMED_F_CREATE,      (char*c) {plumed_f_create(c);})
+IMPLEMENT(plumed_f_cmd,         PLUMED_F_CMD,         (char*c,char* key,void* val) {plumed_f_cmd(c,key,val);})
+IMPLEMENT(plumed_f_finalize,    PLUMED_F_FINALIZE,    (char*c) {plumed_f_finalize(c);})
+IMPLEMENT(plumed_f_installed,   PLUMED_F_INSTALLED,   (int*i) {plumed_f_installed(i);})
+IMPLEMENT(plumed_f_global,      PLUMED_F_GLOBAL,      (char*c) {plumed_f_global(c);})
+
+#ifdef __cplusplus
+}
+#endif
+
+
+
+
diff --git a/src/USER-PLUMED/Plumed.h b/src/USER-PLUMED/Plumed.h
new file mode 100644
index 0000000000..826bed4af6
--- /dev/null
+++ b/src/USER-PLUMED/Plumed.h
@@ -0,0 +1,577 @@
+/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+   Copyright (c) 2011-2018 The plumed team
+   (see the PEOPLE file at the root of the distribution for a list of names)
+
+   See http://www.plumed.org for more information.
+
+   This file is part of plumed, version 2.
+
+   plumed is free software: you can redistribute it and/or modify
+   it under the terms of the GNU Lesser General Public License as published by
+   the Free Software Foundation, either version 3 of the License, or
+   (at your option) any later version.
+
+   plumed is distributed in the hope that it will be useful,
+   but WITHOUT ANY WARRANTY; without even the implied warranty of
+   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+   GNU Lesser General Public License for more details.
+
+   You should have received a copy of the GNU Lesser General Public License
+   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
+#ifndef __PLUMED_wrapper_Plumed_h
+#define __PLUMED_wrapper_Plumed_h
+
+/**
+\page ReferencePlumedH Reference for interfacing MD codes with PLUMED
+
+  Plumed.h and Plumed.c contain the external plumed interface, which is used to
+  integrate it with MD engines. This interface is very general, and is expected
+  not to change across plumed versions. Plumed.c also implements a dummy version
+  of the interface, so as to allow a code to be fully linked even if the plumed
+  library is not available yet. These files could be directly included in the official
+  host MD distribution. In this manner, it will be sufficient to link the plumed
+  library at link time (on all systems) or directly at runtime (on system where
+  dynamic loading is enabled) to include plumed features.
+
+  Why is Plumed.c written in C and not C++? The reason is that the resulting Plumed.o
+  needs to be linked with the host MD code immediately (whereas the rest of plumed
+  could be linked a posteriori). Imagine the MD code is written in FORTRAN: when we
+  link the Plumed.o file we would like not to need any C++ library linked. In this
+  manner, we do not need to know which C++ compiler will be used to compile plumed.
+  The C++ library is only linked to the "rest" of plumed, which actually use it.
+  Anyway, Plumed.c is written in such a manner to allow its compilation also in C++
+  (C++ is a bit stricter than C; compatibility is checked when PlumedStatic.cpp,
+  which basically includes Plumed.c, is compiled with the C++ compiler). This will
+  allow e.g. MD codes written in C++ to just incorporate Plumed.c (maybe renamed into
+  Plumed.cpp), without the need of configuring a plain C compiler.
+
+  Plumed interface can be used from C, C++ and FORTRAN. Everything concerning plumed
+  is hidden inside a single object type, which is described in C by a structure
+  (struct \ref plumed), in C++ by a class (PLMD::Plumed) and in FORTRAN by a
+  fixed-length string (CHARACTER(LEN=32)). Obviously C++ can use both struct
+  and class interfaces, but the first should be preferred. The reference interface
+  is the C one, whereas FORTRAN and C++ interfaces are implemented as wrappers
+  around it.
+
+  In the C++ interface, all the routines are implemented as methods of PLMD::Plumed.
+  In the C and FORTRAN interfaces, all the routines are named plumed_*, to
+  avoid potential name clashes. Notice that the entire plumed library
+  is implemented in C++, and it is hidden inside the PLMD namespace.
+  If the used C++ compiler supports C++11, PLMD::Plumed object defines move semantics
+  so as to be usable in STL containers. That is, you can declare a std::vector<PLMD::Plumed>.
+
+  Handlers to the plumed object can be converted among different representations,
+  to allow inter-operability among languages. In C, there are tools to convert
+  to/from FORTRAN, whereas in C++ there are tools to convert to/from FORTRAN and C.
+
+  These handlers only contain a pointer to the real structure, so that
+  when a plumed object is brought from one language to another,
+  it brings a reference to the same environment.
+
+  Moreover, to simplify life in all cases where a single Plumed object is
+  required for the entire simulation (which covers most of the practical
+  applications with conventional MD codes) it is possible to take advantage
+  of a global interface, which is implicitly referring to a unique global instance.
+  The global object should still be initialized and finalized properly.
+
+  The basic method to send a message to plumed is
+\verbatim
+  (C) plumed_cmd
+  (C++) PLMD::Plumed::cmd
+  (FORTRAN)  PLUMED_F_CMD
+\endverbatim
+
+  To initialize a plumed object, use:
+\verbatim
+  (C)        plumed_create
+  (C++)      (constructor of PLMD::Plumed)
+  (FORTRAN)  PLUMED_F_CREATE
+\endverbatim
+
+  To finalize it, use
+\verbatim
+  (C)        plumed_finalize
+  (C++)      (destructor of PLMD::Plumed)
+  (FORTRAN)  PLUMED_F_FINALIZE
+\endverbatim
+
+  To access to the global-object, use
+\verbatim
+  (C)        plumed_gcreate, plumed_gfinalize, plumed_gcmd
+  (C++)      PLMD::Plumed::gcreate, PLMD::Plumed::gfinalize, PLMD::Plumed::gcmd
+  (FORTRAN)  PLUMED_F_GCREATE, PLUMED_F_GFINALIZE, PLUMED_F_GCMD
+\endverbatim
+
+  To check if the global object has been initialized, use
+\verbatim
+  (C)        plumed_ginitialized
+  (C++)      PLMD::Plumed::ginitialized
+  (FORTRAN)  PLUMED_F_GINITIALIZED
+\endverbatim
+
+  To check if plumed library is available (this is useful for runtime linking), use
+\verbatim
+  (C)        plumed_installed
+  (C++)      PLMD::Plumed::installed
+  (FORTRAN)  PLUMED_F_INSTALLED
+\endverbatim
+
+  To convert handlers use
+\verbatim
+  (C)        plumed_c2f                 (C to FORTRAN)
+  (C)        plumed_f2c                 (FORTRAN to C)
+  (C++)      Plumed(plumed) constructor (C to C++)
+  (C++)      operator plumed() cast     (C++ to C)
+  (C++)      Plumed(char*)  constructor (FORTRAN to C++)
+  (C++)      toFortran(char*)           (C++ to FORTRAN)
+\endverbatim
+
+\verbatim
+  FORTRAN interface
+    SUBROUTINE PLUMED_F_INSTALLED(i)
+      INTEGER,           INTENT(OUT)   :: i
+    SUBROUTINE PLUMED_F_GINITIALIZED(i)
+      INTEGER,           INTENT(OUT)   :: i
+    SUBROUTINE PLUMED_F_GCREATE()
+    SUBROUTINE PLUMED_F_GCMD(key,val)
+      CHARACTER(LEN=*), INTENT(IN)     :: key
+      UNSPECIFIED_TYPE, INTENT(INOUT)  :: val(*)
+    SUBROUTINE PLUMED_F_GFINALIZE()
+    SUBROUTINE PLUMED_F_GLOBAL(p)
+      CHARACTER(LEN=32), INTENT(OUT)   :: p
+    SUBROUTINE PLUMED_F_CREATE(p)
+      CHARACTER(LEN=32), INTENT(OUT)   :: p
+    SUBROUTINE PLUMED_F_CMD(p,key,val)
+      CHARACTER(LEN=32), INTENT(IN)    :: p
+      CHARACTER(LEN=*),  INTENT(IN)    :: key
+      UNSPECIFIED_TYPE,  INTENT(INOUT) :: val(*)
+    SUBROUTINE PLUMED_F_FINALIZE(p)
+      CHARACTER(LEN=32), INTENT(IN)    :: p
+\endverbatim
+
+  The main routine is "cmd", which accepts two arguments:
+  key is a string containing the name of the command
+  val is the argument. it is declared const so as to use allow passing const objects, but in practice plumed
+      is going to modify val in several cases (using a const_cast).
+  In some cases val can be omitted: just pass a NULL pointer (in C++, val is optional and can be omitted).
+  The set of possible keys is the real API of the plumed library, and will be expanded with time.
+  New commands will be added, but backward compatibility will be retained as long as possible.
+
+  To pass plumed a callback function use the following syntax (not available in FORTRAN yet)
+\verbatim
+    plumed_function_holder ff;
+    ff.p=your_function;
+    plumed_cmd(plumed,"xxxx",&ff);
+\endverbatim
+  (this is passing the your_function() function to the "xxxx" command)
+*/
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/* Generic function pointer */
+typedef void (*plumed_function_pointer)(void);
+
+/**
+  \brief Holder for function pointer.
+
+  To pass plumed a callback function use the following syntax:
+\verbatim
+    plumed_function_holder ff;
+    ff.p=your_function;
+    plumed_cmd(plumed,"xxxx",&ff);
+\endverbatim
+  (this is going to pass the your_function() function to the "xxxx" command)
+*/
+
+typedef struct {
+  plumed_function_pointer p;
+} plumed_function_holder;
+
+/**
+  \brief Main plumed object
+
+  This is an object containing a Plumed instance, which should be used in
+  the MD engine. It should first be initialized with plumed_create(),
+  then it communicates with the MD engine using plumed_cmd(). Finally,
+  before the termination, it should be deallocated with plumed_finalize().
+  Its interface is very simple and general, and is expected
+  not to change across plumed versions. See \ref ReferencePlumedH.
+*/
+typedef struct {
+  /**
+    \private
+    \brief Void pointer holding the real PlumedMain structure
+  */
+  void*p;
+} plumed;
+
+/** \relates plumed
+    \brief Constructor
+
+    \return The constructed plumed object
+*/
+plumed plumed_create(void);
+
+/** \relates plumed
+    \brief Tells p to execute a command
+
+    \param p The plumed object on which command is acting
+    \param key The name of the command to be executed
+    \param val The argument. It is declared as const to allow calls like plumed_cmd(p,"A","B"),
+               but for some choice of key it can change the content
+*/
+void plumed_cmd(plumed p,const char*key,const void*val);
+
+/** \relates plumed
+    \brief Destructor
+
+    \param p The plumed object to be deallocated
+*/
+void plumed_finalize(plumed p);
+
+/** \relates plumed
+    \brief Check if plumed is installed (for runtime binding)
+
+    \return 1 if plumed is installed, 0 otherwise
+*/
+int plumed_installed(void);
+
+/** \relates plumed
+    \brief Retrieves an handler to the global structure.
+*/
+plumed plumed_global(void);
+
+/** \relates plumed
+    \brief Check if the global interface has been initialized
+
+    \return 1 if plumed has been initialized, 0 otherwise
+*/
+int plumed_ginitialized(void);
+
+/* global C interface, working on a global object */
+
+/** \relates plumed
+    \brief Constructor for the global interface.
+
+    \note Equivalent to plumed_create(), but initialize the static global plumed object
+*/
+void plumed_gcreate(void);
+
+/** \relates plumed
+    \brief Tells to the global interface to execute a command.
+
+    \param key The name of the command to be executed
+    \param val The argument. It is declared as const to allow calls like plumed_gcmd("A","B"),
+               but for some choice of key it can change the content
+
+    \note Equivalent to plumed_cmd(), but acting on the global plumed object.
+          It thus does not require the plumed object to be specified.
+*/
+void plumed_gcmd(const char* key,const void* val);
+
+/** \relates plumed
+    \brief Destructor for the global interface.
+
+    \note Equivalent to plumed_finalize(), but acting on the global plumed object.
+          It thus does not require the plumed object to be specified.
+*/
+void plumed_gfinalize(void);
+
+/* routines to convert char handler from/to plumed objects */
+
+/** \related plumed
+    \brief Converts a C handler to a FORTRAN handler
+
+    \param p The C handler
+    \param c The FORTRAN handler (a char[32])
+
+    This function can be used to convert a plumed object created in C to
+    a plumed handler that can be used in FORTRAN.
+\verbatim
+#include <plumed/wrapper/Plumed.h>
+int main(int argc,char*argv[]){
+  plumed p;
+  p=plumed_create();
+  char fortran_handler[32];
+  plumed_c2f(p,fortran_handler);
+  printf("DEBUG: this is a string representation for the plumed handler: %s\n",fortran_handler);
+  fortran_routine(fortran_handler);
+  plumed_finalize(p);
+  return 0;
+}
+\endverbatim
+  Here `fortran_routine` is a routine implemented in FORTRAN that manipulates the
+  fortran_handler.
+*/
+void   plumed_c2f(plumed p,char* c);
+
+/** \related plumed
+    \brief Converts a FORTRAN handler to a C handler
+    \param c The FORTRAN handler (a char[32])
+    \return The C handler
+
+    This function can be used to convert a plumed object created in FORTRAN
+    to a plumed handler that can be used in C.
+\verbatim
+void c_routine(char handler[32]){
+  plumed p;
+  p=plumed_f2c(handler);
+  plumed_cmd(p,"init",NULL);
+}
+\endverbatim
+  Here `c_routine` is a C function that can be called from FORTRAN
+  and interact with the provided plumed handler.
+*/
+plumed plumed_f2c(const char* c);
+
+#ifdef __cplusplus
+}
+#endif
+
+#ifdef __cplusplus
+
+/* this is to include the NULL pointer */
+#include <cstdlib>
+
+/* C++ interface is hidden in PLMD namespace (same as plumed library) */
+namespace PLMD {
+
+/**
+  C++ wrapper for \ref plumed.
+
+  This class provides a C++ interface to PLUMED.
+*/
+
+class Plumed {
+  /**
+    C structure.
+  */
+  plumed main;
+  /**
+     keeps track if the object was created from scratch using
+     the defaults destructor (reference=false) or if it was imported
+     from C or FORTRAN (reference=true). In the latter case, the
+     plumed_finalize() method is not called when destructing the object,
+     since it is expected to be finalized in the C/FORTRAN code
+  */
+  bool reference;
+public:
+  /**
+     Check if plumed is installed (for runtime binding)
+     \return true if plumed is installed, false otherwise
+     \note Equivalent to plumed_installed() but returns a bool
+  */
+  static bool installed();
+  /**
+     Check if global-plumed has been initialized
+     \return true if global plumed object (see global()) is initialized (i.e. if gcreate() has been
+             called), false otherwise.
+     \note Equivalent to plumed_ginitialized() but returns a bool
+  */
+  static bool ginitialized();
+  /**
+     Initialize global-plumed.
+     \note Equivalent to plumed_gcreate()
+  */
+  static void gcreate();
+  /**
+     Send a command to global-plumed
+      \param key The name of the command to be executed
+      \param val The argument. It is declared as const to allow calls like gcmd("A","B"),
+                 but for some choice of key it can change the content
+     \note Equivalent to plumed_gcmd()
+  */
+  static void gcmd(const char* key,const void* val);
+  /**
+     Finalize global-plumed
+  */
+  static void gfinalize();
+  /**
+     Returns the Plumed global object
+     \return The Plumed global object
+  */
+  static Plumed global();
+  /**
+     Constructor.
+    \note Performs the same task a plumed_create()
+  */
+  Plumed();
+  /**
+     Clone a Plumed object from a FORTRAN char* handler
+     \param c The FORTRAN handler (a char[32]).
+
+   \attention The Plumed object created in this manner
+              will not finalize the corresponding plumed structure.
+              It is expected that the FORTRAN code calls plumed_c_finalize for it
+  */
+// to have maximum portability of this file I do not use the explicit keyword here
+// I thus add a suppress command for cppcheck
+// cppcheck-suppress noExplicitConstructor
+  Plumed(const char*c);
+  /**
+     Clone a Plumed object from a C plumed structure
+     \param p The C plumed structure.
+
+   \attention The Plumed object created in this manner
+              will not finalize the corresponding plumed structure.
+              It is expected that the C code calls plumed_finalize for it
+  */
+// to have maximum portability of this file I do not use the explicit keyword here
+// I thus add a suppress command for cppcheck
+// cppcheck-suppress noExplicitConstructor
+  Plumed(plumed p);
+private:
+  /** Copy constructor is disabled (private and unimplemented)
+    The problem here is that after copying it will not be clear who is
+    going to finalize the corresponding plumed structure.
+  */
+  Plumed(const Plumed&);
+  /** Assignment operator is disabled (private and unimplemented)
+    The problem here is that after copying it will not be clear who is
+    going to finalize the corresponding plumed structure.
+  */
+  Plumed&operator=(const Plumed&);
+public:
+  /*
+    PLUMED 2.4 requires a C++11 compiler.
+    Anyway, since Plumed.h file might be redistributed with other codes
+    and it should be possible to combine it with earlier PLUMED versions,
+    we here explicitly check if C+11 is available before enabling move semantics.
+    This could still create problems if a compiler 'cheats', setting  __cplusplus > 199711L
+    but not supporting move semantics. Hopefully will not happen!
+  */
+#if __cplusplus > 199711L
+  /** Move constructor.
+    Only if move semantics is enabled.
+    It allows storing PLMD::Plumed objects in STL containers.
+  */
+  Plumed(Plumed&&);
+  /** Move assignment.
+    Only if move semantics is enabled.
+  */
+  Plumed& operator=(Plumed&&);
+#endif
+  /**
+     Retrieve the C plumed structure for this object
+  */
+  operator plumed()const;
+  /**
+     Retrieve a FORTRAN handler for this object
+      \param c The FORTRAN handler (a char[32]).
+  */
+  void toFortran(char*c)const;
+  /**
+     Send a command to this plumed object
+      \param key The name of the command to be executed
+      \param val The argument. It is declared as const to allow calls like p.cmd("A","B"),
+                 but for some choice of key it can change the content
+      \note Equivalent to plumed_cmd()
+  */
+  void cmd(const char*key,const void*val=NULL);
+  /**
+     Destructor
+
+     Destructor is virtual so as to allow correct inheritance from Plumed object.
+     To avoid linking problems with g++, I specify "inline" also here (in principle
+     it should be enough to specify it down in the definition of the function, but
+     for some reason that I do not understand g++ does not inline it properly in that
+     case and complains when Plumed.h is included but Plumed.o is not linked. Anyway, the
+     way it is done here seems to work properly).
+  */
+  inline virtual ~Plumed();
+};
+
+/* All methods are inlined so as to avoid the compilation of an extra c++ file */
+
+inline
+bool Plumed::installed() {
+  return plumed_installed();
+}
+
+inline
+Plumed::Plumed():
+  main(plumed_create()),
+  reference(false)
+{}
+
+inline
+Plumed::Plumed(const char*c):
+  main(plumed_f2c(c)),
+  reference(true)
+{}
+
+inline
+Plumed::Plumed(plumed p):
+  main(p),
+  reference(true)
+{}
+
+#if __cplusplus > 199711L
+inline
+Plumed::Plumed(Plumed&& p):
+  main(p.main),
+  reference(p.reference)
+{}
+
+inline
+Plumed& Plumed::operator=(Plumed&& p) {
+  main=p.main;
+  reference=p.reference;
+  return *this;
+}
+#endif
+
+inline
+Plumed::operator plumed()const {
+  return main;
+}
+
+inline
+void Plumed::toFortran(char*c)const {
+  plumed_c2f(main,c);
+}
+
+inline
+void Plumed::cmd(const char*key,const void*val) {
+  plumed_cmd(main,key,val);
+}
+
+inline
+Plumed::~Plumed() {
+  if(!reference)plumed_finalize(main);
+}
+
+inline
+bool Plumed::ginitialized() {
+  return plumed_ginitialized();
+}
+
+inline
+void Plumed::gcreate() {
+  plumed_gcreate();
+}
+
+inline
+void Plumed::gcmd(const char* key,const void* val) {
+  plumed_gcmd(key,val);
+}
+
+inline
+void Plumed::gfinalize() {
+  plumed_gfinalize();
+}
+
+inline
+Plumed Plumed::global() {
+  return plumed_global();
+}
+
+}
+
+#endif
+
+
+#endif
diff --git a/src/USER-PLUMED/Plumed.inc b/src/USER-PLUMED/Plumed.inc
new file mode 100644
index 0000000000..26bc028d66
--- /dev/null
+++ b/src/USER-PLUMED/Plumed.inc
@@ -0,0 +1,3 @@
+# PLUMED: runtime installation
+PLUMED_LOAD= /data/gt/mycodes/plumed2/src/lib/libplumedWrapper.a -ldl
+PLUMED_DEPENDENCIES=
diff --git a/src/USER-PLUMED/README b/src/USER-PLUMED/README
new file mode 100644
index 0000000000..02a0229e57
--- /dev/null
+++ b/src/USER-PLUMED/README
@@ -0,0 +1,55 @@
+This package implements the "fix plumed" command, which can be used
+in a LAMMPS input script.
+
+The fix allows enhanced sampling methods such as umbrella sampling and 
+metadynamics to be used.  Furthermore, PLUMED can be used to perform a 
+wide range of analyses on trajectories on the fly as they are generated.
+
+The package uses the "PLUMED" library, whose source code is not included
+in the LAMMPS source code distribution. The files in the USER-PLUMED package 
+folder implement an interface between LAMMPS and PLUMED, that are written 
+and maintained by Gareth Tribello (gareth.tribello@gmail.com).
+
+PLUMED must instead be downloaded and compiled separately to LAMMPS.  This building 
+and compiling of PLUEMD can be done before or after the building of LAMMPS as LAMMPS 
+calls PLUMED as a dynamic library.  If you wish to use PLUMED with LAMMPS, however, 
+you must run the command:
+
+make yes-user-plumed
+
+before compiling LAMMPS.  Furthermore, you must ensure that PLUMED is in your 
+PATH when running a LAMMPS calculation that takes advantage of PLUMED.  If 
+PLUMED is not in the PATH an error will be returned whenever LAMMPS encounters 
+the fix plumed command in its input.  To be clear, however, LAMMPS will run if 
+it is compiled with fix-plumed enabled on inputs that do not contain a fix 
+plumed command when PLUMED is not in the PATH.
+
+More info about the PLUMED library can be found at:
+
+www.plumed.org
+
+and in the reference articles:
+
+PLUMED2: New feathers for an old bird
+G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi,
+Comp. Phys. Comm 185, 604 (2014)
+https://doi.org/10.1016/j.cpc.2013.09.018
+
+PLUMED: a portable plugin for free energy calculations with molecular dynamics
+M. Bonomi, D. Branduardi, G. Bussi, C. Camilloni, D. Provasi, P. Raiteri, D. Donadio, F. Marinelli, F. Pietrucci, R.A. Broglia and M. Parrinello
+Comp. Phys. Comm. 180, 1961 (2009)
+https://doi.org/10.1016/j.cpc.2009.05.011
+
+Instructions explaining how to use PLUMED and LAMMPS in tandem can be found on the PLUMED website, which also gives 
+numerous example scripts for PLUMED as well as citations to articles that dcoment the various methods that are 
+implemented within PLUMED.
+
+There are also example scripts for using this package in the folder
+examples/USER/colvars, as well as on the GitHub page for PLUMED.
+
+Please contact Gareth Tribello (gareth.tribello@gmail.com) for questions
+regarding this package.
+
+---------------------------------
+
+Version: 2016-12-22
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
new file mode 100644
index 0000000000..91afd367b1
--- /dev/null
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -0,0 +1,291 @@
+#include "math.h"
+#include "stdlib.h"
+#include "string.h"
+#include "atom.h"
+#include "update.h"
+#include "force.h"
+#include "respa.h"
+#include "domain.h"
+#include "error.h"
+#include "group.h"
+#include "fix_plumed.h"
+#include "universe.h"
+#include "compute.h"
+#include "modify.h"
+#include "pair.h"
+
+using namespace LAMMPS_NS;
+using namespace PLMD;
+using namespace FixConst;
+
+#define INVOKED_SCALAR 1
+
+FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
+  Fix(lmp, narg, arg),
+  p(NULL),
+  nlocal(0),
+  gatindex(NULL),
+  masses(NULL),
+  charges(NULL)
+{
+// Not sure this is really necessary:
+  if (!atom->tag_enable) error->all(FLERR,"fix plumed requires atom tags");
+// Initialize plumed:
+  p=new PLMD::Plumed;
+
+// If the -partition option is activated then enable inter-partition communication
+  if (universe->existflag == 1) {
+     int me;
+     MPI_Comm inter_comm;
+     MPI_Comm_rank(world,&me);
+     // Change MPI_COMM_WORLD to universe->uworld which seems more appropriate
+     MPI_Comm_split(universe->uworld,me,0,&inter_comm);
+     p->cmd("GREX setMPIIntracomm",&world);
+     if (me == 0) {
+        // The inter-partition communicator is only defined for the root in
+        //    each partition (a.k.a. world). This is due to the way in which
+        //    it is defined inside plumed.
+        p->cmd("GREX setMPIIntercomm",&inter_comm);
+     }
+     p->cmd("GREX init",NULL);
+  }
+  // The general communicator is independent of the existence of partitions,
+  //   if there are partitions, world is defined within each partition,
+  //   whereas if partitions are not defined then world is equal to MPI_COMM_WORLD.
+  p->cmd("setMPIComm",&world);
+
+// Set up units
+// LAMMPS units wrt kj/mol - nm - ps
+// Set up units
+
+  if (force->boltz == 1.0){
+// LAMMPS units lj
+    p->cmd("setNaturalUnits");
+  } else {
+    double energyUnits=1.0;
+    double lengthUnits=1.0;
+    double timeUnits=1.0;
+    if (force->boltz == 0.0019872067){
+// LAMMPS units real :: kcal/mol; angstrom; fs
+      energyUnits=4.184;
+      lengthUnits=0.1;
+      timeUnits=0.001;
+    } else if (force->boltz == 8.617343e-5){
+// LAMMPS units metal :: eV; angstrom; ps
+      energyUnits=96.48530749925792;
+      lengthUnits=0.1;
+      timeUnits=1.0;
+    } else if (force->boltz == 1.3806504e-23){
+// LAMMPS units si :: Joule, m; s
+      energyUnits=0.001;
+      lengthUnits=1.e-9;
+      timeUnits=1.e-12;
+    } else if (force->boltz == 1.3806504e-16){
+// LAMMPS units cgs :: erg; cms;, s
+      energyUnits=6.0221418e13;
+      lengthUnits=1.e-7;
+      timeUnits=1.e-12;
+    } else if (force->boltz == 3.16681534e-6){
+// LAMMPS units electron :: Hartree, bohr, fs
+      energyUnits=2625.5257;
+      lengthUnits=0.052917725;
+      timeUnits=0.001;
+    } else error->all(FLERR,"Odd LAMMPS units, plumed cannot work with that");
+    p->cmd("setMDEnergyUnits",&energyUnits);
+    p->cmd("setMDLengthUnits",&lengthUnits);
+    p->cmd("setMDTimeUnits",&timeUnits);
+  }
+
+// Read fix parameters:
+  int next=0;
+  for(int i=3;i<narg;++i){
+    if(!strcmp(arg[i],"outfile")) next=1;
+    else if(next==1){
+      if(universe->existflag == 1){
+        // Each replica writes an independent log file
+        //  with suffix equal to the replica id
+        char str_num[32], logFile[1024];
+        sprintf(str_num,".%d",universe->iworld);
+        strncpy(logFile,arg[i],1024-32);
+        strcat(logFile,str_num);
+        p->cmd("setLogFile",logFile);
+        next=0;
+      } else {
+        // partition option not used
+        p->cmd("setLogFile",arg[i]);
+        next=0;
+      }
+    }
+    else if(!strcmp(arg[i],"plumedfile"))next=2;
+    else if(next==2){
+      p->cmd("setPlumedDat",arg[i]);
+      next=0;
+    }
+    else error->all(FLERR,"syntax error in fix plumed - use 'fix name plumed plumedfile plumed.dat outfile plumed.out' ");
+  }
+  if(next==1) error->all(FLERR,"missing argument for outfile option");
+  if(next==2) error->all(FLERR,"missing argument for plumedfile option");
+
+  p->cmd("setMDEngine","LAMMPS");
+
+  int natoms=int(atom->natoms);
+  p->cmd("setNatoms",&natoms);
+
+  double dt=update->dt;
+  p->cmd("setTimestep",&dt);
+
+  virial_flag=1;
+  scalar_flag = 1;
+
+// This is the real initialization:
+  p->cmd("init");
+
+// Define compute to calculate potential energy
+  char *id_pe = (char *) "thermo_pe";
+  int ipe = modify->find_compute(id_pe);
+  c_pe = modify->compute[ipe];
+  // Trigger computation of potential energy every step
+  c_pe->addstep(update->ntimestep+1);
+}
+
+FixPlumed::~FixPlumed()
+{
+  delete p;
+}
+
+int FixPlumed::setmask()
+{
+  // set with a bitmask how and when apply the force from plumed
+  int mask = 0;
+  mask |= POST_FORCE;
+  mask |= THERMO_ENERGY;
+  mask |= POST_FORCE_RESPA;
+  mask |= MIN_POST_FORCE;
+  return mask;
+}
+
+void FixPlumed::init()
+{
+  if (strcmp(update->integrate_style,"respa") == 0)
+    nlevels_respa = ((Respa *) update->integrate)->nlevels;
+}
+
+void FixPlumed::setup(int vflag)
+{
+  if (strcmp(update->integrate_style,"verlet") == 0)
+    post_force(vflag);
+  else {
+    ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
+    post_force_respa(vflag,nlevels_respa-1,0);
+    ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
+  }
+}
+
+void FixPlumed::min_setup(int vflag)
+{
+  post_force(vflag);
+}
+
+void FixPlumed::post_force(int vflag)
+{
+  int update_gatindex=0;
+// Try to find out if the domain decomposition has been updated:
+  if(nlocal!=atom->nlocal){
+    if(charges) delete [] charges;
+    if(masses) delete [] masses;
+    if(gatindex) delete [] gatindex;
+    nlocal=atom->nlocal;
+    gatindex=new int [nlocal];
+    masses=new double [nlocal];
+    charges=new double [nlocal];
+    update_gatindex=1;
+  } else {
+    for(int i=0;i<nlocal;i++){
+      if(gatindex[i]!=atom->tag[i]-1){
+        update_gatindex=1;
+        break;
+      }
+    }
+  }
+  MPI_Allreduce(MPI_IN_PLACE,&update_gatindex,1,MPI_INT,MPI_SUM,world);
+
+// In case it has been updated, rebuild the local mass/charges array
+// and tell plumed about the change:
+  if(update_gatindex){
+    for(int i=0;i<nlocal;i++){
+      gatindex[i]=atom->tag[i]-1;
+      masses[i]=atom->mass[atom->type[i]];
+      if(atom->q) charges[i]=atom->q[atom->type[i]];
+    }
+    p->cmd("setAtomsNlocal",&nlocal);
+    p->cmd("setAtomsGatindex",gatindex);
+  }
+
+
+// set up local virial/box. plumed uses full 3x3 matrices
+  double virial[3][3];
+  for(int i=0;i<3;i++) for(int j=0;j<3;j++) virial[i][j]=0.0;
+  double box[3][3];
+  for(int i=0;i<3;i++) for(int j=0;j<3;j++) box[i][j]=0.0;
+  box[0][0]=domain->h[0];
+  box[1][1]=domain->h[1];
+  box[2][2]=domain->h[2];
+  box[2][1]=domain->h[3];
+  box[2][0]=domain->h[4];
+  box[1][0]=domain->h[5];
+
+// local variable with timestep:
+  int step=update->ntimestep;
+
+// pass all pointers to plumed:
+  p->cmd("setStep",&step);
+  p->cmd("setPositions",&atom->x[0][0]);
+  p->cmd("setBox",&box[0][0]);
+  p->cmd("setForces",&atom->f[0][0]);
+  p->cmd("setMasses",&masses[0]);
+  if(atom->q) p->cmd("setCharges",&charges[0]);
+  p->cmd("setVirial",&virial[0][0]);
+  p->cmd("getBias",&bias);
+
+// pass the energy
+  double pot_energy = 0.;
+  c_pe->compute_scalar();
+  c_pe->invoked_flag |= INVOKED_SCALAR;
+  pot_energy = c_pe->scalar;
+  int nprocs;
+  // Divide energy by number of processors 
+  // Plumed wants it this way
+  MPI_Comm_size(world,&nprocs);
+  pot_energy /= nprocs;
+  p->cmd("setEnergy",&pot_energy);
+  // Trigger computation of potential energy every step
+  c_pe->addstep(update->ntimestep+1);
+
+// do the real calculation:
+  p->cmd("calc");
+
+// retransform virial to lammps representation:
+  Fix::virial[0]=-virial[0][0];
+  Fix::virial[1]=-virial[1][1];
+  Fix::virial[2]=-virial[2][2];
+  Fix::virial[3]=-virial[0][1];
+  Fix::virial[4]=-virial[0][2];
+  Fix::virial[5]=-virial[1][2];
+}
+
+void FixPlumed::post_force_respa(int vflag, int ilevel, int iloop)
+{
+  if (ilevel == nlevels_respa-1) post_force(vflag);
+}
+
+void FixPlumed::min_post_force(int vflag)
+{
+  post_force(vflag);
+}
+
+double FixPlumed::compute_scalar()
+{
+  return bias;
+}
+
+
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
new file mode 100644
index 0000000000..055dc6f1d4
--- /dev/null
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -0,0 +1,53 @@
+
+#ifdef FIX_CLASS
+
+FixStyle(plumed,FixPlumed)
+
+#else
+
+#ifndef LMP_FIX_PLUMED_H
+#define LMP_FIX_PLUMED_H
+
+#include "fix.h"
+#include "compute.h"
+// the plumed header that defines the class//
+#include "../Plumed.h"
+
+namespace LAMMPS_NS {
+
+class FixPlumed : public Fix {
+ public:
+  FixPlumed(class LAMMPS *, int, char **);
+  ~FixPlumed();
+  int setmask();
+  void init();
+  void setup(int);
+  void min_setup(int);
+  void post_force(int);
+  void post_force_respa(int, int, int);
+  void min_post_force(int);
+  double compute_scalar();
+
+ private:
+// pointer to plumed object:
+  PLMD::Plumed*p;
+// number of atoms local to this process:
+  int nlocal;
+// array of atom indexes local to this process:
+  int*gatindex;
+// array of masses for local atoms:
+  double*masses;
+// array of charges for local atoms:
+  double*charges;
+// this is something to enable respa
+  int nlevels_respa;
+// output bias potential
+  double bias;
+// Compute for the energy
+  class Compute *c_pe; 
+};
+
+};
+
+#endif
+#endif

From f5642ac292b88824c76ef4a566d0d0274ca854c5 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Fri, 29 Jun 2018 16:28:53 +0100
Subject: [PATCH 002/273] Removed reference to local version of PLUMED from
 interface

---
 src/USER-PLUMED/Install.sh | 6 ++----
 src/USER-PLUMED/Plumed.inc | 3 ---
 2 files changed, 2 insertions(+), 7 deletions(-)
 delete mode 100644 src/USER-PLUMED/Plumed.inc

diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index 3e0bef56ca..01552d7134 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -10,7 +10,7 @@ if (test $1 = 1) then
   if (test -e ../Makefile.package.settings) then
     # multiline form needed for BSD sed on Macs
     sed -i -e '4 i \
-include ..\/Plumed.inc
+PLUMED_LOAD=Plumed.o -ldl
 ' ../Makefile.package.settings
   fi
 
@@ -18,7 +18,6 @@ include ..\/Plumed.inc
   cp fix_plumed.h ..
   cp Plumed.h ..
   cp Plumed.cpp ..
-  cp Plumed.inc ..
 
 elif (test $1 = 0) then
 
@@ -27,13 +26,12 @@ elif (test $1 = 0) then
   fi
 
   if (test -e ../Makefile.package.settings) then
-    sed -i -e '/^include.*Plumed\.inc.*$/d' ../Makefile.package.settings
+    sed -i -e '/PLUMED_LOAD=Plumed.o -ldl/d' ../Makefile.package.settings
   fi
 
   rm -f ../fix_plumed.cpp
   rm -f ../fix_plumed.h
   rm -f ../Plumed.h
   rm -f ../Plumed.cpp
-  rm -f ../Plumed.inc
 
 fi
diff --git a/src/USER-PLUMED/Plumed.inc b/src/USER-PLUMED/Plumed.inc
deleted file mode 100644
index 26bc028d66..0000000000
--- a/src/USER-PLUMED/Plumed.inc
+++ /dev/null
@@ -1,3 +0,0 @@
-# PLUMED: runtime installation
-PLUMED_LOAD= /data/gt/mycodes/plumed2/src/lib/libplumedWrapper.a -ldl
-PLUMED_DEPENDENCIES=

From 9b4452959180bb492f7cf2bccc9e488f046e3014 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Fri, 29 Jun 2018 17:46:51 +0100
Subject: [PATCH 003/273] Added an example

---
 examples/USER/plumed/data.peptide      | 6531 ++++++++++++++++++++++++
 examples/USER/plumed/in.peptide-plumed |   40 +
 examples/USER/plumed/plumed.dat        |    6 +
 3 files changed, 6577 insertions(+)
 create mode 100644 examples/USER/plumed/data.peptide
 create mode 100644 examples/USER/plumed/in.peptide-plumed
 create mode 100644 examples/USER/plumed/plumed.dat

diff --git a/examples/USER/plumed/data.peptide b/examples/USER/plumed/data.peptide
new file mode 100644
index 0000000000..f9dfb6e485
--- /dev/null
+++ b/examples/USER/plumed/data.peptide
@@ -0,0 +1,6531 @@
+LAMMPS Description
+ 
+        2004  atoms
+        1365  bonds
+         786  angles
+         207  dihedrals
+          12  impropers
+ 
+          14  atom types
+          18  bond types
+          31  angle types
+          21  dihedral types
+           2  improper types
+ 
+ 36.840194 64.211560 xlo xhi
+ 41.013691 68.385058 ylo yhi
+ 29.768095 57.139462 zlo zhi
+ 
+Masses
+ 
+  1 12.0110
+  2 12.0110
+  3 15.9990
+  4  1.0080
+  5 14.0070
+  6 12.0110
+  7 12.0110
+  8 12.0110
+  9 15.9990
+ 10  1.0080
+ 11  1.0080
+ 12 32.0660
+ 13 16.0000
+ 14  1.0100
+ 
+Pair Coeffs
+ 
+  1    0.110000    3.563595    0.110000    3.563595
+  2    0.080000    3.670503    0.010000    3.385415
+  3    0.120000    3.029056    0.120000    2.494516
+  4    0.022000    2.351973    0.022000    2.351973
+  5    0.200000    3.296325    0.200000    2.761786
+  6    0.020000    4.053589    0.010000    3.385415
+  7    0.055000    3.875410    0.010000    3.385415
+  8    0.070000    3.550053    0.070000    3.550053
+  9    0.152100    3.153782    0.152100    3.153782
+ 10    0.046000    0.400014    0.046000    0.400014
+ 11    0.030000    2.420037    0.030000    2.420037
+ 12    0.450000    3.563595    0.450000    3.563595
+ 13    0.152100    3.150570    0.152100    3.150570
+ 14    0.046000    0.400014    0.046000    0.400014
+ 
+Bond Coeffs
+ 
+  1  249.999999    1.490000
+  2  620.000001    1.230000
+  3  370.000000    1.345000
+  4  322.000001    1.111000
+  5  319.999999    1.430000
+  6  440.000000    0.997000
+  7  222.500001    1.538000
+  8  330.000001    1.080000
+  9  230.000000    1.490000
+ 10  309.000001    1.111000
+ 11  305.000000    1.375000
+ 12  340.000001    1.080000
+ 13  334.300000    1.411000
+ 14  545.000001    0.960000
+ 15  222.500001    1.530000
+ 16  198.000000    1.818000
+ 17  239.999999    1.816000
+ 18  450.000000    0.957200
+ 
+Angle Coeffs
+ 
+  1   33.000000  109.500000   30.000000    2.163000
+  2   50.000000  120.000000    0.000000    0.000000
+  3   34.000000  123.000000    0.000000    0.000000
+  4   80.000000  121.000000    0.000000    0.000000
+  5   80.000000  116.500000    0.000000    0.000000
+  6   80.000000  122.500000    0.000000    0.000000
+  7   35.500000  108.400000    5.400000    1.802000
+  8   50.000000  107.000000    0.000000    0.000000
+  9   70.000000  113.500000    0.000000    0.000000
+ 10   48.000000  108.000000    0.000000    0.000000
+ 11   35.000000  117.000000    0.000000    0.000000
+ 12   51.800000  107.500000    0.000000    0.000000
+ 13   33.430000  110.100000   22.530000    2.179000
+ 14   52.000000  108.000000    0.000000    0.000000
+ 15   50.000000  109.500000    0.000000    0.000000
+ 16   35.000000  111.000000    0.000000    0.000000
+ 17   45.800000  122.300000    0.000000    0.000000
+ 18   49.300000  107.500000    0.000000    0.000000
+ 19   40.000000  120.000000   35.000000    2.416200
+ 20   30.000000  120.000000   22.000000    2.152500
+ 21   45.200000  120.000000    0.000000    0.000000
+ 22   65.000000  108.000000    0.000000    0.000000
+ 23   35.500000  109.000000    5.400000    1.802000
+ 24   36.000000  115.000000    0.000000    0.000000
+ 25   58.350000  113.500000   11.160000    2.561000
+ 26   58.000000  114.500000    0.000000    0.000000
+ 27   26.500000  110.100000   22.530000    2.179000
+ 28   34.000000   95.000000    0.000000    0.000000
+ 29   46.100000  111.300000    0.000000    0.000000
+ 30   51.500000  109.500000    0.000000    0.000000
+ 31   55.000000  104.520000    0.000000    0.000000
+ 
+Dihedral Coeffs
+ 
+  1    0.200000   1 180    1.000000
+  2    1.800000   1   0    1.000000
+  3    0.000000   1   0    1.000000
+  4    1.600000   1   0    0.500000
+  5    2.500000   2 180    0.500000
+  6    2.500000   2 180    1.000000
+  7    0.600000   1   0    1.000000
+  8    0.200000   3   0    1.000000
+  9    0.230000   2 180    1.000000
+ 10    0.040000   3   0    1.000000
+ 11    1.400000   1   0    1.000000
+ 12    3.100000   2 180    1.000000
+ 13    4.200000   2 180    1.000000
+ 14    3.100000   2 180    0.500000
+ 15    0.990000   2 180    1.000000
+ 16    2.400000   2 180    1.000000
+ 17    0.195000   3   0    1.000000
+ 18    0.240000   1 180    0.500000
+ 19    0.370000   3   0    0.500000
+ 20    0.280000   3   0    1.000000
+ 21    0.010000   3   0    1.000000
+ 
+Improper Coeffs
+ 
+  1  120.000000    0.000000
+  2   20.000000    0.000000
+ 
+Atoms
+ 
+      1      1   1   0.510  43.99993  58.52678  36.78550   0   0   0
+      2      1   2  -0.270  45.10395  58.23499  35.86693   0   0   0
+      3      1   3  -0.510  43.81519  59.54928  37.43995   0   0   0
+      4      1   4   0.090  45.71714  57.34797  36.13434   0   0   0
+      5      1   4   0.090  45.72261  59.13657  35.67007   0   0   0
+      6      1   4   0.090  44.66624  58.09539  34.85538   0   0   0
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+   1956    625  14   0.417  60.93423  45.11202  55.60864   1   1   0
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+   1963    628  13  -0.834  41.02352  64.37669  36.41484   0   0   1
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+   1966    629  13  -0.834  48.62923  67.86173  41.06030   1   0   1
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+   1968    629  14   0.417  47.94185  67.35115  40.63246   1   0   1
+   1969    630  13  -0.834  57.99331  55.69311  47.88478   1   2   0
+   1970    630  14   0.417  57.70999  55.65425  48.79826   1   2   0
+   1971    630  14   0.417  57.37284  55.13407  47.41709   1   2   0
+   1972    631  13  -0.834  48.67013  62.47689  45.75332  -1  -1   0
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+   1978    633  13  -0.834  61.71933  50.02843  40.52579   1   0  -1
+   1979    633  14   0.417  61.89605  49.89083  39.59516   1   0  -1
+   1980    633  14   0.417  61.20325  50.83404  40.55551   1   0  -1
+   1981    634  13  -0.834  49.51254  64.46386  53.41539   0  -1  -1
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+   1983    634  14   0.417  49.96102  63.98252  54.11066   0  -1  -1
+   1984    635  13  -0.834  49.54405  44.64373  31.53722   1   2   1
+   1985    635  14   0.417  49.17415  44.45447  32.39954   1   2   1
+   1986    635  14   0.417  48.78808  44.87386  30.99705   1   2   1
+   1987    636  13  -0.834  55.54392  65.92737  37.61921   0  -1  -1
+   1988    636  14   0.417  56.11408  65.75233  38.36791   0  -1  -1
+   1989    636  14   0.417  56.12096  66.32174  36.96519   0  -1  -1
+   1990    637  13  -0.834  55.12269  51.83986  35.86341   1   0   1
+   1991    637  14   0.417  55.56426  51.26412  35.23910   1   0   1
+   1992    637  14   0.417  54.23658  51.93728  35.51477   1   0   1
+   1993    638  13  -0.834  55.63681  62.23759  37.50835   1  -1   0
+   1994    638  14   0.417  55.30920  61.35525  37.33403   1  -1   0
+   1995    638  14   0.417  56.23965  62.41667  36.78672   1  -1   0
+   1996    639  13  -0.834  39.91450  42.04260  35.59226   0   0   0
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+   1998    639  14   0.417  39.23583  42.02933  34.91737   0   0   0
+   1999    640  13  -0.834  48.26433  59.84813  40.16126   0   1   0
+   2000    640  14   0.417  48.74870  60.67004  40.23938   0   1   0
+   2001    640  14   0.417  47.50743  60.06639  39.61748   0   1   0
+   2002    641  13  -0.834  57.35097  49.28414  48.37687   1   1   1
+   2003    641  14   0.417  57.35715  48.51028  48.94022   1   1   1
+   2004    641  14   0.417  56.55074  49.75049  48.61854   1   1   1
+ 
+Velocities
+ 
+      1   -0.000671   -0.002823    0.003832
+      2   -0.001597    0.002405   -0.003777
+      3    0.005494    0.003807   -0.002300
+      4   -0.000077    0.004524   -0.000287
+      5    0.003116   -0.007135   -0.034325
+      6   -0.006676    0.004889   -0.001939
+      7    0.003499   -0.004774    0.000159
+      8   -0.003460    0.000694    0.000994
+      9   -0.000065   -0.001353   -0.002848
+     10   -0.001260   -0.002649    0.000699
+     11   -0.002820   -0.002457   -0.005671
+     12    0.005156   -0.005914    0.000984
+     13   -0.002342   -0.001592    0.004306
+     14    0.004397   -0.000231    0.003308
+     15   -0.003258   -0.000006    0.001838
+     16   -0.001637   -0.004429    0.003154
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+   1973    0.025504   -0.012928    0.014439
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+   1975   -0.002145   -0.003853   -0.002353
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+   1981   -0.004734    0.003071   -0.000955
+   1982    0.003752   -0.001882   -0.005052
+   1983   -0.008195    0.007844    0.004577
+   1984    0.007575    0.002209   -0.000466
+   1985   -0.005510    0.009650   -0.004399
+   1986    0.018263    0.019292   -0.008157
+   1987   -0.005098   -0.001581   -0.000328
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+   2003   -0.022280   -0.011677   -0.018343
+   2004   -0.010076   -0.005729   -0.026032
+ 
+Bonds
+ 
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+   700  31   1745   1744   1746
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+   721  31   1808   1807   1809
+   722  31   1811   1810   1812
+   723  31   1814   1813   1815
+   724  31   1817   1816   1818
+   725  31   1820   1819   1821
+   726  31   1823   1822   1824
+   727  31   1826   1825   1827
+   728  31   1829   1828   1830
+   729  31   1832   1831   1833
+   730  31   1835   1834   1836
+   731  31   1838   1837   1839
+   732  31   1841   1840   1842
+   733  31   1844   1843   1845
+   734  31   1847   1846   1848
+   735  31   1850   1849   1851
+   736  31   1853   1852   1854
+   737  31   1856   1855   1857
+   738  31   1859   1858   1860
+   739  31   1862   1861   1863
+   740  31   1865   1864   1866
+   741  31   1868   1867   1869
+   742  31   1871   1870   1872
+   743  31   1874   1873   1875
+   744  31   1877   1876   1878
+   745  31   1880   1879   1881
+   746  31   1883   1882   1884
+   747  31   1886   1885   1887
+   748  31   1889   1888   1890
+   749  31   1892   1891   1893
+   750  31   1895   1894   1896
+   751  31   1898   1897   1899
+   752  31   1901   1900   1902
+   753  31   1904   1903   1905
+   754  31   1907   1906   1908
+   755  31   1910   1909   1911
+   756  31   1913   1912   1914
+   757  31   1916   1915   1917
+   758  31   1919   1918   1920
+   759  31   1922   1921   1923
+   760  31   1925   1924   1926
+   761  31   1928   1927   1929
+   762  31   1931   1930   1932
+   763  31   1934   1933   1935
+   764  31   1937   1936   1938
+   765  31   1940   1939   1941
+   766  31   1943   1942   1944
+   767  31   1946   1945   1947
+   768  31   1949   1948   1950
+   769  31   1952   1951   1953
+   770  31   1955   1954   1956
+   771  31   1958   1957   1959
+   772  31   1961   1960   1962
+   773  31   1964   1963   1965
+   774  31   1967   1966   1968
+   775  31   1970   1969   1971
+   776  31   1973   1972   1974
+   777  31   1976   1975   1977
+   778  31   1979   1978   1980
+   779  31   1982   1981   1983
+   780  31   1985   1984   1986
+   781  31   1988   1987   1989
+   782  31   1991   1990   1992
+   783  31   1994   1993   1995
+   784  31   1997   1996   1998
+   785  31   2000   1999   2001
+   786  31   2003   2002   2004
+ 
+Dihedrals
+ 
+     1   6      3      1      7      8
+     2   6      2      1      7     19
+     3   4      2      1      7      8
+     4   5      2      1      7      8
+     5   6      3      1      7     19
+     6   3      3      1      2      4
+     7   3      3      1      2      6
+     8   3      3      1      2      5
+     9   3      5      2      1      7
+    10   3      4      2      1      7
+    11   3      6      2      1      7
+    12   3     19      7      8     20
+    13   1      1      7      8      9
+    14   3      1      7      8     20
+    15   2      1      7      8     11
+    16   8      9      8     11     22
+    17   3      7      8      9     10
+    18   7      7      8      9     28
+    19   8      7      8     11     21
+    20   8      7      8     11     12
+    21   3      9      8      7     19
+    22   3     11      8      9     28
+    23   8      7      8     11     22
+    24   3     11      8      7     19
+    25  10      9      8     11     12
+    26   3     20      8      9     28
+    27   8      9      8     11     21
+    28   8     20      8     11     22
+    29   8     20      8     11     21
+    30   4      8      9     28     29
+    31   5      8      9     28     29
+    32   6     10      9     28     29
+    33  11     10      9      8     11
+    34   6     10      9     28     32
+    35   3     10      9      8     20
+    36   6      8      9     28     32
+    37   9      8     11     12     13
+    38   8     12     11      8     20
+    39   9      8     11     12     14
+    40  14     14     12     13     15
+    41  13     13     12     14     24
+    42   3     13     12     11     22
+    43  14     13     12     14     16
+    44   3     14     12     11     22
+    45   3     13     12     11     21
+    46  13     11     12     14     24
+    47  12     11     12     14     16
+    48   3     14     12     11     21
+    49  13     11     12     13     23
+    50  13     14     12     13     23
+    51  12     11     12     13     15
+    52  16     23     13     15     25
+    53  13     12     13     15     25
+    54  14     12     13     15     17
+    55  14     12     14     16     17
+    56  13     12     14     16     26
+    57  16     24     14     16     26
+    58  12     13     15     17     18
+    59  13     17     15     13     23
+    60  14     13     15     17     16
+    61  12     14     16     17     18
+    62  13     17     16     14     24
+    63  14     14     16     17     15
+    64  15     16     17     18     27
+    65  13     15     17     16     26
+    66  13     18     17     15     25
+    67  15     15     17     18     27
+    68  13     16     17     15     25
+    69  13     18     17     16     26
+    70   1      9     28     29     30
+    71   3     32     28     29     33
+    72   3      9     28     29     33
+    73   3      9     28     29     34
+    74   3     32     28     29     34
+    75   3     33     29     30     35
+    76   3     30     29     28     32
+    77   3     34     29     30     35
+    78   7     28     29     30     35
+    79   3     28     29     30     31
+    80   6     29     30     35     39
+    81   4     29     30     35     36
+    82   5     29     30     35     36
+    83   3     31     30     29     34
+    84   3     31     30     29     33
+    85   6     31     30     35     39
+    86   6     31     30     35     36
+    87   1     30     35     36     37
+    88   3     39     35     36     41
+    89   3     30     35     36     40
+    90   3     30     35     36     41
+    91   3     39     35     36     40
+    92   3     40     36     37     42
+    93   3     41     36     37     42
+    94   7     35     36     37     42
+    95   3     35     36     37     38
+    96   3     37     36     35     39
+    97   6     38     37     42     53
+    98   3     38     37     36     40
+    99   6     38     37     42     43
+   100   4     36     37     42     43
+   101   6     36     37     42     53
+   102   5     36     37     42     43
+   103   3     38     37     36     41
+   104   3     37     42     43     54
+   105   1     37     42     43     44
+   106   3     53     42     43     54
+   107   2     37     42     43     46
+   108  10     44     43     46     47
+   109   3     44     43     42     53
+   110   8     42     43     46     56
+   111   8     42     43     46     55
+   112   8     42     43     46     47
+   113   3     46     43     42     53
+   114   8     44     43     46     55
+   115   8     54     43     46     56
+   116   7     42     43     44     62
+   117   3     42     43     44     45
+   118   3     46     43     44     62
+   119   3     54     43     44     62
+   120   8     54     43     46     55
+   121   8     44     43     46     56
+   122   5     43     44     62     63
+   123   6     45     44     62     70
+   124   6     43     44     62     70
+   125   4     43     44     62     63
+   126  11     45     44     43     46
+   127   3     45     44     43     54
+   128   6     45     44     62     63
+   129   9     43     46     47     48
+   130   8     47     46     43     54
+   131   9     43     46     47     49
+   132   3     49     47     46     55
+   133  13     46     47     48     57
+   134  14     49     47     48     50
+   135   3     49     47     46     56
+   136  12     46     47     48     50
+   137  12     46     47     49     51
+   138  14     48     47     49     51
+   139  13     46     47     49     58
+   140   3     48     47     46     55
+   141   3     48     47     46     56
+   142  13     48     47     49     58
+   143  13     49     47     48     57
+   144  14     47     48     50     52
+   145  16     57     48     50     59
+   146  13     47     48     50     59
+   147  16     58     49     51     60
+   148  13     47     49     51     60
+   149  14     47     49     51     52
+   150  13     48     50     52     61
+   151  14     48     50     52     51
+   152  16     59     50     52     61
+   153  13     52     50     48     57
+   154  14     49     51     52     50
+   155  13     49     51     52     61
+   156  13     52     51     49     58
+   157  16     60     51     52     61
+   158  13     51     52     50     59
+   159  13     50     52     51     60
+   160   3     70     62     63     71
+   161   2     44     62     63     66
+   162   1     44     62     63     64
+   163   3     44     62     63     71
+   164   8     62     63     66     72
+   165   8     62     63     66     67
+   166   3     71     63     64     79
+   167   3     62     63     64     65
+   168   3     64     63     62     70
+   169   8     62     63     66     73
+   170   7     62     63     64     79
+   171   8     64     63     66     67
+   172   3     66     63     64     79
+   173   8     64     63     66     72
+   174   3     66     63     62     70
+   175   8     71     63     66     73
+   176   8     64     63     66     73
+   177   8     71     63     66     72
+   178   6     63     64     79     81
+   179   6     65     64     79     80
+   180   3     65     64     63     71
+   181   4     63     64     79     80
+   182   6     65     64     79     81
+   183   5     63     64     79     80
+   184  11     65     64     63     66
+   185   8     67     66     63     71
+   186  17     63     66     67     74
+   187  17     72     66     67     75
+   188  17     63     66     67     75
+   189  17     63     66     67     68
+   190  17     73     66     67     74
+   191  17     73     66     67     75
+   192  17     72     66     67     74
+   193  19     66     67     68     69
+   194  21     68     67     66     72
+   195  18     66     67     68     69
+   196  21     68     67     66     73
+   197  20     69     68     67     74
+   198  20     69     68     67     75
+   199  20     67     68     69     77
+   200  20     67     68     69     76
+   201  20     67     68     69     78
+   202   3     81     79     80     83
+   203   3     81     79     80     84
+   204   3     64     79     80     84
+   205   3     81     79     80     82
+   206   3     64     79     80     83
+   207   3     64     79     80     82
+ 
+Impropers
+ 
+     1   2      7      1      8     19
+     2   1      1      2      7      3
+     3   1      9      8     28     10
+     4   2     28      9     29     32
+     5   1     30     29     35     31
+     6   2     35     30     36     39
+     7   1     37     36     42     38
+     8   2     42     37     43     53
+     9   1     44     43     62     45
+    10   2     62     44     63     70
+    11   1     64     63     79     65
+    12   2     79     64     80     81
diff --git a/examples/USER/plumed/in.peptide-plumed b/examples/USER/plumed/in.peptide-plumed
new file mode 100644
index 0000000000..40657d987e
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed
@@ -0,0 +1,40 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		2 all plumed plumedfile plumed.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+
+
+run		100
diff --git a/examples/USER/plumed/plumed.dat b/examples/USER/plumed/plumed.dat
new file mode 100644
index 0000000000..cab1b923f4
--- /dev/null
+++ b/examples/USER/plumed/plumed.dat
@@ -0,0 +1,6 @@
+c1: COM ATOMS=2,4,5,6
+c2: COM ATOMS=80,82,83,84
+d1: DISTANCE ATOMS=c1,37
+d2: DISTANCE ATOMS=c2,37
+h_pot: RESTRAINT ARG=d1,d2 CENTER=1.0,1.0 KAPPA=10,10
+PRINT ARG=d1,d2,h_pot.*

From 2c5f2a668398f4d74bf192010df1094a60d8c974 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 2 Jul 2018 10:22:23 +0100
Subject: [PATCH 004/273] Added running example of PLUMED + LAMMPS

Not sure if this has been done correctly.  I add both the input and the output
---
 examples/USER/plumed/colvar     | 102 ++++++++++++++++++++++++++++++++
 examples/USER/plumed/p.log      |  64 ++++++++++++++++++++
 examples/USER/plumed/plumed.dat |   4 +-
 src/USER-PLUMED/fix_plumed.cpp  |  18 +++---
 src/USER-PLUMED/fix_plumed.h    |   2 +-
 5 files changed, 178 insertions(+), 12 deletions(-)
 create mode 100644 examples/USER/plumed/colvar
 create mode 100644 examples/USER/plumed/p.log

diff --git a/examples/USER/plumed/colvar b/examples/USER/plumed/colvar
new file mode 100644
index 0000000000..b909300108
--- /dev/null
+++ b/examples/USER/plumed/colvar
@@ -0,0 +1,102 @@
+#! FIELDS time d1 d2 h_pot.bias h_pot.force2
+ 0.000000 0.993491 0.758366 0.292146 5.842921
+ 0.002000 0.995476 0.759311 0.289757 5.795146
+ 0.004000 0.997617 0.760436 0.286982 5.739638
+ 0.006000 0.999849 0.761714 0.283902 5.678045
+ 0.008000 1.002126 0.763111 0.280604 5.612077
+ 0.010000 1.004429 0.764614 0.277132 5.542631
+ 0.012000 1.006758 0.766228 0.273476 5.469523
+ 0.014000 1.009119 0.767975 0.269594 5.391885
+ 0.016000 1.011514 0.769873 0.265455 5.309099
+ 0.018000 1.013929 0.771911 0.261093 5.221860
+ 0.020000 1.016331 0.774032 0.256641 5.132826
+ 0.022000 1.018671 0.776135 0.252321 5.046430
+ 0.024000 1.020900 0.778094 0.248395 4.967894
+ 0.026000 1.022979 0.779791 0.245099 4.901982
+ 0.028000 1.024903 0.781143 0.242592 4.851832
+ 0.030000 1.026700 0.782129 0.240904 4.818078
+ 0.032000 1.028430 0.782795 0.239931 4.798623
+ 0.034000 1.030167 0.783248 0.239458 4.789166
+ 0.036000 1.031975 0.783621 0.239212 4.784241
+ 0.038000 1.033897 0.784047 0.238923 4.778459
+ 0.040000 1.035930 0.784627 0.238382 4.767647
+ 0.042000 1.038033 0.785407 0.237484 4.749678
+ 0.044000 1.040121 0.786369 0.236240 4.724809
+ 0.046000 1.042091 0.787439 0.234768 4.695368
+ 0.048000 1.043837 0.788511 0.233246 4.664919
+ 0.050000 1.045280 0.789471 0.231863 4.637266
+ 0.052000 1.046388 0.790226 0.230785 4.615694
+ 0.054000 1.047178 0.790712 0.230136 4.602723
+ 0.056000 1.047712 0.790891 0.230015 4.600302
+ 0.058000 1.048083 0.790742 0.230505 4.610102
+ 0.060000 1.048397 0.790252 0.231683 4.633662
+ 0.062000 1.048754 0.789414 0.233618 4.672352
+ 0.064000 1.049236 0.788230 0.236354 4.727083
+ 0.066000 1.049892 0.786723 0.239883 4.797654
+ 0.068000 1.050741 0.784954 0.244096 4.881918
+ 0.070000 1.051768 0.783036 0.248766 4.975312
+ 0.072000 1.052946 0.781120 0.253559 5.071179
+ 0.074000 1.054246 0.779374 0.258094 5.161873
+ 0.076000 1.055648 0.777949 0.262017 5.240331
+ 0.078000 1.057143 0.776950 0.265083 5.301665
+ 0.080000 1.058728 0.776406 0.267217 5.344336
+ 0.082000 1.060397 0.776265 0.268526 5.370525
+ 0.084000 1.062135 0.776403 0.269282 5.385630
+ 0.086000 1.063918 0.776650 0.269855 5.397095
+ 0.088000 1.065713 0.776818 0.270642 5.412845
+ 0.090000 1.067486 0.776746 0.271982 5.439646
+ 0.092000 1.069203 0.776331 0.274084 5.481685
+ 0.094000 1.070839 0.775547 0.276987 5.539735
+ 0.096000 1.072370 0.774448 0.280554 5.611090
+ 0.098000 1.073779 0.773153 0.284514 5.690279
+ 0.100000 1.075049 0.771810 0.288515 5.770295
+ 0.102000 1.076167 0.770572 0.292193 5.843867
+ 0.104000 1.077116 0.769571 0.295223 5.904455
+ 0.106000 1.077882 0.768908 0.297345 5.946904
+ 0.108000 1.078459 0.768648 0.298397 5.967949
+ 0.110000 1.078853 0.768806 0.298342 5.966843
+ 0.112000 1.079090 0.769340 0.297296 5.945926
+ 0.114000 1.079219 0.770158 0.295516 5.910315
+ 0.116000 1.079303 0.771141 0.293328 5.866561
+ 0.118000 1.079415 0.772170 0.291067 5.821338
+ 0.120000 1.079622 0.773135 0.289037 5.780735
+ 0.122000 1.079971 0.773942 0.287489 5.749783
+ 0.124000 1.080476 0.774515 0.286599 5.731971
+ 0.126000 1.081103 0.774812 0.286437 5.728730
+ 0.128000 1.081783 0.774828 0.286955 5.739101
+ 0.130000 1.082421 0.774602 0.287987 5.759744
+ 0.132000 1.082925 0.774217 0.289271 5.785430
+ 0.134000 1.083230 0.773787 0.290498 5.809961
+ 0.136000 1.083320 0.773437 0.291366 5.827324
+ 0.138000 1.083229 0.773283 0.291638 5.832753
+ 0.140000 1.083032 0.773417 0.291171 5.823427
+ 0.142000 1.082825 0.773886 0.289936 5.798729
+ 0.144000 1.082697 0.774694 0.288007 5.760150
+ 0.146000 1.082716 0.775795 0.285550 5.710997
+ 0.148000 1.082911 0.777098 0.282797 5.655945
+ 0.150000 1.083267 0.778482 0.280018 5.600355
+ 0.152000 1.083739 0.779816 0.277467 5.549332
+ 0.154000 1.084258 0.780984 0.275337 5.506735
+ 0.156000 1.084764 0.781917 0.273726 5.474524
+ 0.158000 1.085215 0.782595 0.272633 5.452651
+ 0.160000 1.085600 0.783050 0.271973 5.439463
+ 0.162000 1.085939 0.783349 0.271614 5.432288
+ 0.164000 1.086269 0.783582 0.271395 5.427907
+ 0.166000 1.086632 0.783845 0.271141 5.422814
+ 0.168000 1.087062 0.784236 0.270670 5.413403
+ 0.170000 1.087575 0.784841 0.269815 5.396302
+ 0.172000 1.088169 0.785721 0.268447 5.368936
+ 0.174000 1.088827 0.786902 0.266506 5.330122
+ 0.176000 1.089527 0.788366 0.264020 5.280397
+ 0.178000 1.090249 0.790062 0.261095 5.221908
+ 0.180000 1.090983 0.791909 0.257899 5.157988
+ 0.182000 1.091725 0.793812 0.254634 5.092674
+ 0.184000 1.092478 0.795671 0.251513 5.030265
+ 0.186000 1.093252 0.797384 0.248746 4.974922
+ 0.188000 1.094056 0.798864 0.246512 4.930235
+ 0.190000 1.094906 0.800048 0.244938 4.898769
+ 0.192000 1.095809 0.800909 0.244083 4.881658
+ 0.194000 1.096763 0.801455 0.243917 4.878336
+ 0.196000 1.097747 0.801731 0.244326 4.886516
+ 0.198000 1.098716 0.801809 0.245123 4.902456
+ 0.200000 1.099614 0.801777 0.246077 4.921541
diff --git a/examples/USER/plumed/p.log b/examples/USER/plumed/p.log
new file mode 100644
index 0000000000..c2f2163c83
--- /dev/null
+++ b/examples/USER/plumed/p.log
@@ -0,0 +1,64 @@
+PLUMED: PLUMED is starting
+PLUMED: Version: 2.5.0-dev (git: a10584333) compiled on Jul  2 2018 at 09:29:02
+PLUMED: Please cite this paper when using PLUMED [1]
+PLUMED: For further information see the PLUMED web page at http://www.plumed.org
+PLUMED: Root: /data/gt/mycodes/plumed2/
+PLUMED: For installed feature, see /data/gt/mycodes/plumed2//src/config/config.txt
+PLUMED: Molecular dynamics engine: LAMMPS
+PLUMED: Precision of reals: 8
+PLUMED: Running over 1 node
+PLUMED: Number of threads: 1
+PLUMED: Cache line size: 512
+PLUMED: Number of atoms: 2004
+PLUMED: File suffix: 
+PLUMED: FILE: plumed.dat
+PLUMED: Action COM
+PLUMED:   with label c1
+PLUMED:   serial associated to this virtual atom is 2005
+PLUMED:   of atoms
+PLUMED:  2 4 5 6
+PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
+PLUMED: Action COM
+PLUMED:   with label c2
+PLUMED:   serial associated to this virtual atom is 2006
+PLUMED:   of atoms
+PLUMED:  80 82 83 84
+PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
+PLUMED: Action DISTANCE
+PLUMED:   with label d1
+PLUMED:   between atoms 2005 37
+PLUMED:   using periodic boundary conditions
+PLUMED: Action DISTANCE
+PLUMED:   with label d2
+PLUMED:   between atoms 2006 37
+PLUMED:   using periodic boundary conditions
+PLUMED: Action RESTRAINT
+PLUMED:   with label h_pot
+PLUMED:   with arguments d1 d2
+PLUMED:   added component to this action:  h_pot.bias 
+PLUMED:   at 1.000000 1.000000
+PLUMED:   with harmonic force constant 10.000000 10.000000
+PLUMED:   and linear force constant 0.000000 0.000000
+PLUMED:   added component to this action:  h_pot.force2 
+PLUMED: Action PRINT
+PLUMED:   with label @5
+PLUMED:   with stride 1
+PLUMED:   with arguments d1 d2 h_pot.bias h_pot.force2
+PLUMED:   on file colvar
+PLUMED:   with format  %f
+PLUMED: END FILE: plumed.dat
+PLUMED: Timestep: 0.002000
+PLUMED: KbT has not been set by the MD engine
+PLUMED: It should be set by hand where needed
+PLUMED: Relevant bibliography:
+PLUMED:   [1] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014)
+PLUMED: Please read and cite where appropriate!
+PLUMED: Finished setup
+PLUMED:                                               Cycles        Total      Average      Minumum      Maximum
+PLUMED:                                                    1     0.015035     0.015035     0.015035     0.015035
+PLUMED: 1 Prepare dependencies                           101     0.000123     0.000001     0.000001     0.000004
+PLUMED: 2 Sharing data                                   101     0.006837     0.000068     0.000047     0.000891
+PLUMED: 3 Waiting for data                               101     0.000967     0.000010     0.000007     0.000041
+PLUMED: 4 Calculating (forward loop)                     101     0.001616     0.000016     0.000011     0.000043
+PLUMED: 5 Applying (backward loop)                       101     0.002159     0.000021     0.000018     0.000057
+PLUMED: 6 Update                                         101     0.001059     0.000010     0.000006     0.000086
diff --git a/examples/USER/plumed/plumed.dat b/examples/USER/plumed/plumed.dat
index cab1b923f4..d316d4b035 100644
--- a/examples/USER/plumed/plumed.dat
+++ b/examples/USER/plumed/plumed.dat
@@ -2,5 +2,5 @@ c1: COM ATOMS=2,4,5,6
 c2: COM ATOMS=80,82,83,84
 d1: DISTANCE ATOMS=c1,37
 d2: DISTANCE ATOMS=c2,37
-h_pot: RESTRAINT ARG=d1,d2 CENTER=1.0,1.0 KAPPA=10,10
-PRINT ARG=d1,d2,h_pot.*
+h_pot: RESTRAINT ARG=d1,d2 AT=1.0,1.0 KAPPA=10,10
+PRINT ARG=d1,d2,h_pot.* FILE=colvar
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 91afd367b1..15753596a5 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -223,8 +223,8 @@ void FixPlumed::post_force(int vflag)
 
 
 // set up local virial/box. plumed uses full 3x3 matrices
-  double virial[3][3];
-  for(int i=0;i<3;i++) for(int j=0;j<3;j++) virial[i][j]=0.0;
+  double plmd_virial[3][3];
+  for(int i=0;i<3;i++) for(int j=0;j<3;j++) plmd_virial[i][j]=0.0;
   double box[3][3];
   for(int i=0;i<3;i++) for(int j=0;j<3;j++) box[i][j]=0.0;
   box[0][0]=domain->h[0];
@@ -244,7 +244,7 @@ void FixPlumed::post_force(int vflag)
   p->cmd("setForces",&atom->f[0][0]);
   p->cmd("setMasses",&masses[0]);
   if(atom->q) p->cmd("setCharges",&charges[0]);
-  p->cmd("setVirial",&virial[0][0]);
+  p->cmd("setVirial",&plmd_virial[0][0]);
   p->cmd("getBias",&bias);
 
 // pass the energy
@@ -265,12 +265,12 @@ void FixPlumed::post_force(int vflag)
   p->cmd("calc");
 
 // retransform virial to lammps representation:
-  Fix::virial[0]=-virial[0][0];
-  Fix::virial[1]=-virial[1][1];
-  Fix::virial[2]=-virial[2][2];
-  Fix::virial[3]=-virial[0][1];
-  Fix::virial[4]=-virial[0][2];
-  Fix::virial[5]=-virial[1][2];
+  Fix::virial[0]=-plmd_virial[0][0];
+  Fix::virial[1]=-plmd_virial[1][1];
+  Fix::virial[2]=-plmd_virial[2][2];
+  Fix::virial[3]=-plmd_virial[0][1];
+  Fix::virial[4]=-plmd_virial[0][2];
+  Fix::virial[5]=-plmd_virial[1][2];
 }
 
 void FixPlumed::post_force_respa(int vflag, int ilevel, int iloop)
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index 055dc6f1d4..6bd6d59f39 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -11,7 +11,7 @@ FixStyle(plumed,FixPlumed)
 #include "fix.h"
 #include "compute.h"
 // the plumed header that defines the class//
-#include "../Plumed.h"
+#include "Plumed.h"
 
 namespace LAMMPS_NS {
 

From b299bfa821efe38fc761a15f3eded8820ad22d30 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 2 Jul 2018 13:58:38 +0100
Subject: [PATCH 005/273] Started adding tests on PLUMED interface

---
 examples/USER/plumed/check-plumed.sh   |  32 ++++++++
 examples/USER/plumed/colvar            | 102 -------------------------
 examples/USER/plumed/in.peptide-plumed |   7 +-
 examples/USER/plumed/p.log             |  64 ----------------
 examples/USER/plumed/plumed.dat        |   8 +-
 src/USER-PLUMED/fix_plumed.cpp         |   3 +
 6 files changed, 44 insertions(+), 172 deletions(-)
 create mode 100755 examples/USER/plumed/check-plumed.sh
 delete mode 100644 examples/USER/plumed/colvar
 delete mode 100644 examples/USER/plumed/p.log

diff --git a/examples/USER/plumed/check-plumed.sh b/examples/USER/plumed/check-plumed.sh
new file mode 100755
index 0000000000..584b4d3297
--- /dev/null
+++ b/examples/USER/plumed/check-plumed.sh
@@ -0,0 +1,32 @@
+#!/bin/bash
+
+# Check PLUMED positions
+nlines=`paste plumed.xyz lammps.xyz | awk '{if( $2<$6-0.0001 || $2>$6+0.0001 || $3<$7-0.0001 || $3>$7+0.0001 || $4<$8-0.0002 || $4>$8+0.0002 ) if( $5!="Timestep:" && $1!=2004 ) print $0}' | wc -l` 
+if [ "$nlines" -gt 0 ] ; then
+   echo ERROR passing positions from LAMMPS to PLUMED
+   paste plumed.xyz lammps.xyz | awk '{if( $2<$6-0.0001 || $2>$6+0.0001 || $3<$7-0.0001 || $3>$7+0.0001 || $4<$8-0.0002 || $4>$8+0.0002 ) if( $5!="Timestep:" && $1!=2004 ) print $0, $2-$6, $3-$7, $4-$8}'
+fi
+
+# CHECK PLUMED timestep
+tstep=`grep timestep in.peptide-plumed | awk '{print $2}'`
+tstep=`echo $tstep \* 0.001 \* 10 | bc -l`
+nlines=`wc -l plmd_energy | awk '{print $1}'`
+
+for ((i=3;i<$nlines;i++)); do
+   told=`head -n $(($i-1)) plmd_energy | tail -n 1 | awk '{print $1}'`
+   tnew=`head -n $i plmd_energy | tail -n 1 | awk '{print $1}'`
+   tdiff=`echo \( $tnew - $told - $tstep \) \> 0 | bc -l`
+   if [ $tdiff -gt 0 ] ; then
+      echo ERROR passing timestep from LAMMPS to PLUMED
+   fi
+done
+
+# Check PLUMED energy
+tail -n +2 plmd_energy > plmd_energy2 
+nlines=`paste lammps_energy plmd_energy2 | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l` 
+if [ "$nlines" -gt 0 ] ; then
+   echo ERROR passing potential energy from LAMMPS to PLUMED
+   paste lammps_energy plmd_energy2 | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}'
+fi
+rm -f plmd_energy2
+
diff --git a/examples/USER/plumed/colvar b/examples/USER/plumed/colvar
deleted file mode 100644
index b909300108..0000000000
--- a/examples/USER/plumed/colvar
+++ /dev/null
@@ -1,102 +0,0 @@
-#! FIELDS time d1 d2 h_pot.bias h_pot.force2
- 0.000000 0.993491 0.758366 0.292146 5.842921
- 0.002000 0.995476 0.759311 0.289757 5.795146
- 0.004000 0.997617 0.760436 0.286982 5.739638
- 0.006000 0.999849 0.761714 0.283902 5.678045
- 0.008000 1.002126 0.763111 0.280604 5.612077
- 0.010000 1.004429 0.764614 0.277132 5.542631
- 0.012000 1.006758 0.766228 0.273476 5.469523
- 0.014000 1.009119 0.767975 0.269594 5.391885
- 0.016000 1.011514 0.769873 0.265455 5.309099
- 0.018000 1.013929 0.771911 0.261093 5.221860
- 0.020000 1.016331 0.774032 0.256641 5.132826
- 0.022000 1.018671 0.776135 0.252321 5.046430
- 0.024000 1.020900 0.778094 0.248395 4.967894
- 0.026000 1.022979 0.779791 0.245099 4.901982
- 0.028000 1.024903 0.781143 0.242592 4.851832
- 0.030000 1.026700 0.782129 0.240904 4.818078
- 0.032000 1.028430 0.782795 0.239931 4.798623
- 0.034000 1.030167 0.783248 0.239458 4.789166
- 0.036000 1.031975 0.783621 0.239212 4.784241
- 0.038000 1.033897 0.784047 0.238923 4.778459
- 0.040000 1.035930 0.784627 0.238382 4.767647
- 0.042000 1.038033 0.785407 0.237484 4.749678
- 0.044000 1.040121 0.786369 0.236240 4.724809
- 0.046000 1.042091 0.787439 0.234768 4.695368
- 0.048000 1.043837 0.788511 0.233246 4.664919
- 0.050000 1.045280 0.789471 0.231863 4.637266
- 0.052000 1.046388 0.790226 0.230785 4.615694
- 0.054000 1.047178 0.790712 0.230136 4.602723
- 0.056000 1.047712 0.790891 0.230015 4.600302
- 0.058000 1.048083 0.790742 0.230505 4.610102
- 0.060000 1.048397 0.790252 0.231683 4.633662
- 0.062000 1.048754 0.789414 0.233618 4.672352
- 0.064000 1.049236 0.788230 0.236354 4.727083
- 0.066000 1.049892 0.786723 0.239883 4.797654
- 0.068000 1.050741 0.784954 0.244096 4.881918
- 0.070000 1.051768 0.783036 0.248766 4.975312
- 0.072000 1.052946 0.781120 0.253559 5.071179
- 0.074000 1.054246 0.779374 0.258094 5.161873
- 0.076000 1.055648 0.777949 0.262017 5.240331
- 0.078000 1.057143 0.776950 0.265083 5.301665
- 0.080000 1.058728 0.776406 0.267217 5.344336
- 0.082000 1.060397 0.776265 0.268526 5.370525
- 0.084000 1.062135 0.776403 0.269282 5.385630
- 0.086000 1.063918 0.776650 0.269855 5.397095
- 0.088000 1.065713 0.776818 0.270642 5.412845
- 0.090000 1.067486 0.776746 0.271982 5.439646
- 0.092000 1.069203 0.776331 0.274084 5.481685
- 0.094000 1.070839 0.775547 0.276987 5.539735
- 0.096000 1.072370 0.774448 0.280554 5.611090
- 0.098000 1.073779 0.773153 0.284514 5.690279
- 0.100000 1.075049 0.771810 0.288515 5.770295
- 0.102000 1.076167 0.770572 0.292193 5.843867
- 0.104000 1.077116 0.769571 0.295223 5.904455
- 0.106000 1.077882 0.768908 0.297345 5.946904
- 0.108000 1.078459 0.768648 0.298397 5.967949
- 0.110000 1.078853 0.768806 0.298342 5.966843
- 0.112000 1.079090 0.769340 0.297296 5.945926
- 0.114000 1.079219 0.770158 0.295516 5.910315
- 0.116000 1.079303 0.771141 0.293328 5.866561
- 0.118000 1.079415 0.772170 0.291067 5.821338
- 0.120000 1.079622 0.773135 0.289037 5.780735
- 0.122000 1.079971 0.773942 0.287489 5.749783
- 0.124000 1.080476 0.774515 0.286599 5.731971
- 0.126000 1.081103 0.774812 0.286437 5.728730
- 0.128000 1.081783 0.774828 0.286955 5.739101
- 0.130000 1.082421 0.774602 0.287987 5.759744
- 0.132000 1.082925 0.774217 0.289271 5.785430
- 0.134000 1.083230 0.773787 0.290498 5.809961
- 0.136000 1.083320 0.773437 0.291366 5.827324
- 0.138000 1.083229 0.773283 0.291638 5.832753
- 0.140000 1.083032 0.773417 0.291171 5.823427
- 0.142000 1.082825 0.773886 0.289936 5.798729
- 0.144000 1.082697 0.774694 0.288007 5.760150
- 0.146000 1.082716 0.775795 0.285550 5.710997
- 0.148000 1.082911 0.777098 0.282797 5.655945
- 0.150000 1.083267 0.778482 0.280018 5.600355
- 0.152000 1.083739 0.779816 0.277467 5.549332
- 0.154000 1.084258 0.780984 0.275337 5.506735
- 0.156000 1.084764 0.781917 0.273726 5.474524
- 0.158000 1.085215 0.782595 0.272633 5.452651
- 0.160000 1.085600 0.783050 0.271973 5.439463
- 0.162000 1.085939 0.783349 0.271614 5.432288
- 0.164000 1.086269 0.783582 0.271395 5.427907
- 0.166000 1.086632 0.783845 0.271141 5.422814
- 0.168000 1.087062 0.784236 0.270670 5.413403
- 0.170000 1.087575 0.784841 0.269815 5.396302
- 0.172000 1.088169 0.785721 0.268447 5.368936
- 0.174000 1.088827 0.786902 0.266506 5.330122
- 0.176000 1.089527 0.788366 0.264020 5.280397
- 0.178000 1.090249 0.790062 0.261095 5.221908
- 0.180000 1.090983 0.791909 0.257899 5.157988
- 0.182000 1.091725 0.793812 0.254634 5.092674
- 0.184000 1.092478 0.795671 0.251513 5.030265
- 0.186000 1.093252 0.797384 0.248746 4.974922
- 0.188000 1.094056 0.798864 0.246512 4.930235
- 0.190000 1.094906 0.800048 0.244938 4.898769
- 0.192000 1.095809 0.800909 0.244083 4.881658
- 0.194000 1.096763 0.801455 0.243917 4.878336
- 0.196000 1.097747 0.801731 0.244326 4.886516
- 0.198000 1.098716 0.801809 0.245123 4.902456
- 0.200000 1.099614 0.801777 0.246077 4.921541
diff --git a/examples/USER/plumed/in.peptide-plumed b/examples/USER/plumed/in.peptide-plumed
index 40657d987e..2f5e8d026f 100644
--- a/examples/USER/plumed/in.peptide-plumed
+++ b/examples/USER/plumed/in.peptide-plumed
@@ -35,6 +35,9 @@ fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
 
 thermo_style	custom step temp etotal pe ke epair ebond f_2
 thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
 
-
-run		100
+run		101
diff --git a/examples/USER/plumed/p.log b/examples/USER/plumed/p.log
deleted file mode 100644
index c2f2163c83..0000000000
--- a/examples/USER/plumed/p.log
+++ /dev/null
@@ -1,64 +0,0 @@
-PLUMED: PLUMED is starting
-PLUMED: Version: 2.5.0-dev (git: a10584333) compiled on Jul  2 2018 at 09:29:02
-PLUMED: Please cite this paper when using PLUMED [1]
-PLUMED: For further information see the PLUMED web page at http://www.plumed.org
-PLUMED: Root: /data/gt/mycodes/plumed2/
-PLUMED: For installed feature, see /data/gt/mycodes/plumed2//src/config/config.txt
-PLUMED: Molecular dynamics engine: LAMMPS
-PLUMED: Precision of reals: 8
-PLUMED: Running over 1 node
-PLUMED: Number of threads: 1
-PLUMED: Cache line size: 512
-PLUMED: Number of atoms: 2004
-PLUMED: File suffix: 
-PLUMED: FILE: plumed.dat
-PLUMED: Action COM
-PLUMED:   with label c1
-PLUMED:   serial associated to this virtual atom is 2005
-PLUMED:   of atoms
-PLUMED:  2 4 5 6
-PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
-PLUMED: Action COM
-PLUMED:   with label c2
-PLUMED:   serial associated to this virtual atom is 2006
-PLUMED:   of atoms
-PLUMED:  80 82 83 84
-PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
-PLUMED: Action DISTANCE
-PLUMED:   with label d1
-PLUMED:   between atoms 2005 37
-PLUMED:   using periodic boundary conditions
-PLUMED: Action DISTANCE
-PLUMED:   with label d2
-PLUMED:   between atoms 2006 37
-PLUMED:   using periodic boundary conditions
-PLUMED: Action RESTRAINT
-PLUMED:   with label h_pot
-PLUMED:   with arguments d1 d2
-PLUMED:   added component to this action:  h_pot.bias 
-PLUMED:   at 1.000000 1.000000
-PLUMED:   with harmonic force constant 10.000000 10.000000
-PLUMED:   and linear force constant 0.000000 0.000000
-PLUMED:   added component to this action:  h_pot.force2 
-PLUMED: Action PRINT
-PLUMED:   with label @5
-PLUMED:   with stride 1
-PLUMED:   with arguments d1 d2 h_pot.bias h_pot.force2
-PLUMED:   on file colvar
-PLUMED:   with format  %f
-PLUMED: END FILE: plumed.dat
-PLUMED: Timestep: 0.002000
-PLUMED: KbT has not been set by the MD engine
-PLUMED: It should be set by hand where needed
-PLUMED: Relevant bibliography:
-PLUMED:   [1] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014)
-PLUMED: Please read and cite where appropriate!
-PLUMED: Finished setup
-PLUMED:                                               Cycles        Total      Average      Minumum      Maximum
-PLUMED:                                                    1     0.015035     0.015035     0.015035     0.015035
-PLUMED: 1 Prepare dependencies                           101     0.000123     0.000001     0.000001     0.000004
-PLUMED: 2 Sharing data                                   101     0.006837     0.000068     0.000047     0.000891
-PLUMED: 3 Waiting for data                               101     0.000967     0.000010     0.000007     0.000041
-PLUMED: 4 Calculating (forward loop)                     101     0.001616     0.000016     0.000011     0.000043
-PLUMED: 5 Applying (backward loop)                       101     0.002159     0.000021     0.000018     0.000057
-PLUMED: 6 Update                                         101     0.001059     0.000010     0.000006     0.000086
diff --git a/examples/USER/plumed/plumed.dat b/examples/USER/plumed/plumed.dat
index d316d4b035..27f4d635fb 100644
--- a/examples/USER/plumed/plumed.dat
+++ b/examples/USER/plumed/plumed.dat
@@ -1,6 +1,6 @@
+UNITS ENERGY=kcal/mol
 c1: COM ATOMS=2,4,5,6
 c2: COM ATOMS=80,82,83,84
-d1: DISTANCE ATOMS=c1,37
-d2: DISTANCE ATOMS=c2,37
-h_pot: RESTRAINT ARG=d1,d2 AT=1.0,1.0 KAPPA=10,10
-PRINT ARG=d1,d2,h_pot.* FILE=colvar
+energy: ENERGY
+DUMPATOMS ATOMS=1-2004 FILE=plumed.xyz UNITS=A PRECISION=4 STRIDE=10
+PRINT ARG=energy STRIDE=10 FMT=%8.4f FILE=plmd_energy
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 15753596a5..b6af7c691d 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -32,6 +32,9 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   if (!atom->tag_enable) error->all(FLERR,"fix plumed requires atom tags");
 // Initialize plumed:
   p=new PLMD::Plumed;
+// Check API version
+  int api_version; p->cmd("getApiVersion",&api_version);
+  if( api_version!=6 ) error->all(FLERR,"invalid api version for PLUMED");
 
 // If the -partition option is activated then enable inter-partition communication
   if (universe->existflag == 1) {

From 7f5a83cb1ddc1ce1ef1b0066bcdf7bd10ac39f94 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 2 Jul 2018 17:04:19 +0100
Subject: [PATCH 006/273] Added first go at checks on PLUMED interface to
 LAMMPS

---
 examples/USER/plumed/check-plumed.sh          | 49 +++++++++++++++++++
 examples/USER/plumed/clear-files.sh           |  8 +++
 examples/USER/plumed/in.peptide-plumed        |  1 +
 .../plumed/in.peptide-plumed-eng-force-plumed | 41 ++++++++++++++++
 .../plumed/in.peptide-plumed-engforce-ref     | 40 +++++++++++++++
 examples/USER/plumed/in.peptide-plumed-expand | 40 +++++++++++++++
 .../plumed/in.peptide-plumed-lammps-restraint | 44 +++++++++++++++++
 examples/USER/plumed/in.peptide-plumed-npt    | 43 ++++++++++++++++
 examples/USER/plumed/in.peptide-plumed-npt2   | 43 ++++++++++++++++
 .../plumed/in.peptide-plumed-plumed-restraint | 44 +++++++++++++++++
 examples/USER/plumed/plumed-eng-ref.dat       |  2 +
 examples/USER/plumed/plumed-engforce.dat      |  3 ++
 examples/USER/plumed/plumed-expand.dat        |  3 ++
 examples/USER/plumed/plumed-norestraint.dat   |  3 ++
 examples/USER/plumed/plumed-restraint.dat     |  4 ++
 examples/USER/plumed/plumed.dat               |  1 +
 examples/USER/plumed/plumed_npt.dat           |  2 +
 examples/USER/plumed/plumed_npt2.dat          |  3 ++
 18 files changed, 374 insertions(+)
 create mode 100755 examples/USER/plumed/clear-files.sh
 create mode 100644 examples/USER/plumed/in.peptide-plumed-eng-force-plumed
 create mode 100644 examples/USER/plumed/in.peptide-plumed-engforce-ref
 create mode 100644 examples/USER/plumed/in.peptide-plumed-expand
 create mode 100644 examples/USER/plumed/in.peptide-plumed-lammps-restraint
 create mode 100644 examples/USER/plumed/in.peptide-plumed-npt
 create mode 100644 examples/USER/plumed/in.peptide-plumed-npt2
 create mode 100644 examples/USER/plumed/in.peptide-plumed-plumed-restraint
 create mode 100644 examples/USER/plumed/plumed-eng-ref.dat
 create mode 100644 examples/USER/plumed/plumed-engforce.dat
 create mode 100644 examples/USER/plumed/plumed-expand.dat
 create mode 100644 examples/USER/plumed/plumed-norestraint.dat
 create mode 100644 examples/USER/plumed/plumed-restraint.dat
 create mode 100644 examples/USER/plumed/plumed_npt.dat
 create mode 100644 examples/USER/plumed/plumed_npt2.dat

diff --git a/examples/USER/plumed/check-plumed.sh b/examples/USER/plumed/check-plumed.sh
index 584b4d3297..720bc34400 100755
--- a/examples/USER/plumed/check-plumed.sh
+++ b/examples/USER/plumed/check-plumed.sh
@@ -1,5 +1,10 @@
 #!/bin/bash
 
+LAMMPS=../../../src/lmp_mpi
+
+# Run first LAMMPS calculation
+$LAMMPS < in.peptide-plumed
+
 # Check PLUMED positions
 nlines=`paste plumed.xyz lammps.xyz | awk '{if( $2<$6-0.0001 || $2>$6+0.0001 || $3<$7-0.0001 || $3>$7+0.0001 || $4<$8-0.0002 || $4>$8+0.0002 ) if( $5!="Timestep:" && $1!=2004 ) print $0}' | wc -l` 
 if [ "$nlines" -gt 0 ] ; then
@@ -30,3 +35,47 @@ if [ "$nlines" -gt 0 ] ; then
 fi
 rm -f plmd_energy2
 
+# Check PLMD mass and charge
+nlines=`wc -l mq_lammps | awk '{print $1}'`
+sline=`grep -n "mass q" mq_lammps | awk '{print $1}' | sed -e s/:ITEM://`
+for ((i=$sline+1;i<$nlines;i++)); do
+    # Mass and charge from LAMMPS
+    index=`head -n $i mq_lammps | tail -n 1 | awk '{print $1}'`
+    l_mass=`head -n $i mq_lammps | tail -n 1 | awk '{print $2}'`
+    l_charge=`head -n $i mq_lammps | tail -n 1 | awk '{print $3}'`
+    # Mass and charge from PLUMED
+    p_mass=`head -n $(($index+1)) mq_plumed | tail -n 1 | awk '{print $2}'`
+    p_charge=`head -n $(($index+1)) mq_plumed | tail -n 1 | awk '{print $3}'`
+    # Check PLUMED mass is same as lammps mass
+    mdiff=`echo \( $l_mass - $p_mass \) \> 0 | bc -l` 
+    if [ "$mdiff" -gt 0 ] ; then
+         echo ERROR passing masses from LAMMPS to PLUMED
+    fi 
+    # Check PLUMED charge is same as lammps charge
+    qdiff=`echo \( $l_charge - $p_charge \) \> 0 | bc -l` 
+    if [ "$qdiff" -gt 0 ] ; then
+         echo ERROR passing charges from LAMMPS to PLUMED
+    fi 
+done
+
+# Run calculations to test adding restraint on bond
+$LAMMPS < in.peptide-plumed-plumed-restraint
+$LAMMPS < in.peptide-plumed-lammps-restraint
+# Now compare value of distance when lammps and plumed restraint the distance
+nlines=`paste lammps_restraint plumed_restraint | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l`
+if [ "$nlines" -gt 0 ] ; then
+      echo ERROR passing forces from PLUMED back to LAMMPS
+fi
+
+# Nothing from here works
+
+# Now try to simply increase the size of the box by applying a moving restraint on the volume
+$LAMMPS < in.peptide-plumed-expand
+
+# Now run calculations to test virial
+$LAMMPS < in.peptide-plumed-npt
+$LAMMPS < in.peptide-plumed-npt2	
+
+# Now run calculations to check forces on energy
+$LAMMPS < in.peptide-plumed-engforce-ref
+$LAMMPS < in.peptide-plumed-eng-force-plumed
diff --git a/examples/USER/plumed/clear-files.sh b/examples/USER/plumed/clear-files.sh
new file mode 100755
index 0000000000..5e588146f7
--- /dev/null
+++ b/examples/USER/plumed/clear-files.sh
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+# Data from first set of checks
+rm bck.* plmd_energy lammps_energy mq_plumed mq_lammps lammps.xyz plumed.xyz p.log
+# Data from checks on restraints
+rm bck.* p.log lammps_restraint plumed_restraint
+# Data from checks on virial
+rm bck.* lammps_energy lammps.xyz log.lammps plmd_volume p.log plmd_volume_without_restraint plmd_volume_with_restraint
diff --git a/examples/USER/plumed/in.peptide-plumed b/examples/USER/plumed/in.peptide-plumed
index 2f5e8d026f..ef9d15b961 100644
--- a/examples/USER/plumed/in.peptide-plumed
+++ b/examples/USER/plumed/in.peptide-plumed
@@ -39,5 +39,6 @@ dump            dd all xyz 10 lammps.xyz
 variable        step equal step
 variable        pe equal pe
 fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
 
 run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-eng-force-plumed b/examples/USER/plumed/in.peptide-plumed-eng-force-plumed
new file mode 100644
index 0000000000..e45fd0844a
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-eng-force-plumed
@@ -0,0 +1,41 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	1.8181818181818181
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all nvt temp  363.0 363.0 90.90909090909091 tchain 1
+
+fix		2 all plumed plumedfile plumed-engforce.dat outfile p.log
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-engforce-ref b/examples/USER/plumed/in.peptide-plumed-engforce-ref
new file mode 100644
index 0000000000..d812e2b015
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-engforce-ref
@@ -0,0 +1,40 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all nvt temp  300.0 300.0 100.0 tchain 1
+
+fix		2 all plumed plumedfile plumed-eng-ref.dat outfile p.log
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-expand b/examples/USER/plumed/in.peptide-plumed-expand
new file mode 100644
index 0000000000..ed70929ab6
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-expand
@@ -0,0 +1,40 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all npt temp  275.0 275.0 100.0 iso 0.987 0.987 400.0 tchain 1
+
+fix		2 all plumed plumedfile plumed-expand.dat outfile p.log
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-lammps-restraint b/examples/USER/plumed/in.peptide-plumed-lammps-restraint
new file mode 100644
index 0000000000..3476c76b22
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-lammps-restraint
@@ -0,0 +1,44 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+fix             6 all restrain bond 45 48 1000.0 1000.0 6.0
+fix		2 all plumed plumedfile plumed-norestraint.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-npt b/examples/USER/plumed/in.peptide-plumed-npt
new file mode 100644
index 0000000000..1fe9e0c2fa
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-npt
@@ -0,0 +1,43 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix             4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+fix		1 all npt temp  275.0 275.0 100.0 iso 0.987 0.987 400.0 tchain 1
+
+fix		2 all plumed plumedfile plumed_npt.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-npt2 b/examples/USER/plumed/in.peptide-plumed-npt2
new file mode 100644
index 0000000000..984407d1e8
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-npt2
@@ -0,0 +1,43 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix             4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+fix		1 all npt temp  275.0 275.0 100.0 iso 987.9 987.9 400.0 tchain 1
+
+fix		2 all plumed plumedfile plumed_npt2.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-plumed-restraint b/examples/USER/plumed/in.peptide-plumed-plumed-restraint
new file mode 100644
index 0000000000..8ce35dd720
--- /dev/null
+++ b/examples/USER/plumed/in.peptide-plumed-plumed-restraint
@@ -0,0 +1,44 @@
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+group		one id 2 4 5 6
+group		two id 80 82 83 84
+group		ref id 37
+group		colvar union one two ref
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		2 all plumed plumedfile plumed-restraint.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+dump            dd all xyz 10 lammps.xyz
+variable        step equal step
+variable        pe equal pe
+fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
+dump            mq all custom 200 mq_lammps id mass q 
+
+run		101
diff --git a/examples/USER/plumed/plumed-eng-ref.dat b/examples/USER/plumed/plumed-eng-ref.dat
new file mode 100644
index 0000000000..90e589157e
--- /dev/null
+++ b/examples/USER/plumed/plumed-eng-ref.dat
@@ -0,0 +1,2 @@
+e: ENERGY
+PRINT ARG=e FILE=energy_ref FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-engforce.dat b/examples/USER/plumed/plumed-engforce.dat
new file mode 100644
index 0000000000..31a1564798
--- /dev/null
+++ b/examples/USER/plumed/plumed-engforce.dat
@@ -0,0 +1,3 @@
+e: ENERGY
+RESTRAINT ARG=e AT=0 SLOPE=0.1
+PRINT ARG=e FILE=engforced FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-expand.dat b/examples/USER/plumed/plumed-expand.dat
new file mode 100644
index 0000000000..29a8cf4182
--- /dev/null
+++ b/examples/USER/plumed/plumed-expand.dat
@@ -0,0 +1,3 @@
+v: VOLUME 
+r: MOVINGRESTRAINT ARG=v KAPPA0=100. AT0=20 AT1=30 STEP0=0 STEP1=100
+PRINT ARG=v,r.* FILE=expanding
diff --git a/examples/USER/plumed/plumed-norestraint.dat b/examples/USER/plumed/plumed-norestraint.dat
new file mode 100644
index 0000000000..1fed74ae81
--- /dev/null
+++ b/examples/USER/plumed/plumed-norestraint.dat
@@ -0,0 +1,3 @@
+UNITS LENGTH=A
+dd: DISTANCE ATOMS=45,48 
+PRINT ARG=dd FILE=lammps_restraint FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-restraint.dat b/examples/USER/plumed/plumed-restraint.dat
new file mode 100644
index 0000000000..6ae4c8ce10
--- /dev/null
+++ b/examples/USER/plumed/plumed-restraint.dat
@@ -0,0 +1,4 @@
+UNITS LENGTH=A ENERGY=kcal/mol
+dd: DISTANCE ATOMS=45,48 
+RESTRAINT ARG=dd KAPPA=2000 AT=6.0
+PRINT ARG=dd FILE=plumed_restraint FMT=%8.4f 
diff --git a/examples/USER/plumed/plumed.dat b/examples/USER/plumed/plumed.dat
index 27f4d635fb..7fe1290c0d 100644
--- a/examples/USER/plumed/plumed.dat
+++ b/examples/USER/plumed/plumed.dat
@@ -4,3 +4,4 @@ c2: COM ATOMS=80,82,83,84
 energy: ENERGY
 DUMPATOMS ATOMS=1-2004 FILE=plumed.xyz UNITS=A PRECISION=4 STRIDE=10
 PRINT ARG=energy STRIDE=10 FMT=%8.4f FILE=plmd_energy
+DUMPMASSCHARGE FILE=mq_plumed 
diff --git a/examples/USER/plumed/plumed_npt.dat b/examples/USER/plumed/plumed_npt.dat
new file mode 100644
index 0000000000..d41c41fa45
--- /dev/null
+++ b/examples/USER/plumed/plumed_npt.dat
@@ -0,0 +1,2 @@
+vv: VOLUME
+PRINT ARG=vv FILE=plmd_volume_without_restraint
diff --git a/examples/USER/plumed/plumed_npt2.dat b/examples/USER/plumed/plumed_npt2.dat
new file mode 100644
index 0000000000..ea26ab3042
--- /dev/null
+++ b/examples/USER/plumed/plumed_npt2.dat
@@ -0,0 +1,3 @@
+vv: VOLUME
+RESTRAINT AT=0.0 ARG=vv SLOPE=-60.221429
+PRINT ARG=vv FILE=plmd_volume_with_restraint

From 43cdca80f287e2af980faf1732aab98285028ad7 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 9 Jul 2018 15:06:10 +0100
Subject: [PATCH 007/273] Fixed passing of charges

---
 src/USER-PLUMED/fix_plumed.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index b6af7c691d..89115c4cce 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -34,7 +34,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   p=new PLMD::Plumed;
 // Check API version
   int api_version; p->cmd("getApiVersion",&api_version);
-  if( api_version!=6 ) error->all(FLERR,"invalid api version for PLUMED");
+  if( api_version>6 ) error->all(FLERR,"invalid api version for PLUMED");
 
 // If the -partition option is activated then enable inter-partition communication
   if (universe->existflag == 1) {
@@ -218,7 +218,7 @@ void FixPlumed::post_force(int vflag)
     for(int i=0;i<nlocal;i++){
       gatindex[i]=atom->tag[i]-1;
       masses[i]=atom->mass[atom->type[i]];
-      if(atom->q) charges[i]=atom->q[atom->type[i]];
+      if(atom->q) charges[i]=atom->q[i];
     }
     p->cmd("setAtomsNlocal",&nlocal);
     p->cmd("setAtomsGatindex",gatindex);

From c84ae38e349b8c7bc1861ae0fac8f90ac5352661 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Mon, 9 Jul 2018 17:27:41 +0100
Subject: [PATCH 008/273] Fixed installation scripts for PLUMED

---
 src/USER-PLUMED/Install.sh | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index 01552d7134..e48bd546b0 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -5,12 +5,13 @@ if (test $1 = 1) then
 
   if (test -e ../Makefile.package) then
     sed -i -e 's|^PKG_LIB =[ \t]*|& $(PLUMED_LOAD) |' ../Makefile.package
+    sed -i -e 's|^PKG_SYSINC =[ \t]*|& -D__PLUMED_HAS_DLOPEN |' ../Makefile.package
   fi
 
   if (test -e ../Makefile.package.settings) then
     # multiline form needed for BSD sed on Macs
     sed -i -e '4 i \
-PLUMED_LOAD=Plumed.o -ldl
+PLUMED_LOAD=-ldl
 ' ../Makefile.package.settings
   fi
 
@@ -23,10 +24,11 @@ elif (test $1 = 0) then
 
   if (test -e ../Makefile.package) then
     sed -i -e 's/[^ \t]* \$(PLUMED_LOAD)[^ \t]* //' ../Makefile.package
+    sed -i -e 's/[^ \t]* -D__PLUMED_HAS_DLOPEN[^ \t]* //' ../Makefile.package
   fi
 
   if (test -e ../Makefile.package.settings) then
-    sed -i -e '/PLUMED_LOAD=Plumed.o -ldl/d' ../Makefile.package.settings
+    sed -i -e '/PLUMED_LOAD=-ldl/d' ../Makefile.package.settings
   fi
 
   rm -f ../fix_plumed.cpp

From 4d5635a3c43a33ae770a6a0df5f66dfae06c33dd Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Tue, 10 Jul 2018 16:01:45 +0100
Subject: [PATCH 009/273] Fixed virial contribution from PLUMED

---
 examples/USER/plumed/check-plumed.sh          | 12 +++---
 examples/USER/plumed/in.peptide-plumed-expand | 40 -------------------
 examples/USER/plumed/plumed-expand.dat        |  3 --
 examples/USER/plumed/plumed_npt.dat           |  2 +-
 examples/USER/plumed/plumed_npt2.dat          |  2 +-
 src/USER-PLUMED/fix_plumed.cpp                |  1 +
 6 files changed, 10 insertions(+), 50 deletions(-)
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-expand
 delete mode 100644 examples/USER/plumed/plumed-expand.dat

diff --git a/examples/USER/plumed/check-plumed.sh b/examples/USER/plumed/check-plumed.sh
index 720bc34400..0dadc96f41 100755
--- a/examples/USER/plumed/check-plumed.sh
+++ b/examples/USER/plumed/check-plumed.sh
@@ -67,15 +67,17 @@ if [ "$nlines" -gt 0 ] ; then
       echo ERROR passing forces from PLUMED back to LAMMPS
 fi
 
-# Nothing from here works
-
-# Now try to simply increase the size of the box by applying a moving restraint on the volume
-$LAMMPS < in.peptide-plumed-expand
-
 # Now run calculations to test virial
 $LAMMPS < in.peptide-plumed-npt
 $LAMMPS < in.peptide-plumed-npt2	
 
+nlines=`paste plmd_volume_with_restraint plmd_volume_without_restraint | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l`
+if [ "$nlines" -gt 0 ] ; then
+      echo ERROR passing virial from PLUMED back to LAMMPS
+fi
+
+# Nothing from here works
+
 # Now run calculations to check forces on energy
 $LAMMPS < in.peptide-plumed-engforce-ref
 $LAMMPS < in.peptide-plumed-eng-force-plumed
diff --git a/examples/USER/plumed/in.peptide-plumed-expand b/examples/USER/plumed/in.peptide-plumed-expand
deleted file mode 100644
index ed70929ab6..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-expand
+++ /dev/null
@@ -1,40 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix		1 all npt temp  275.0 275.0 100.0 iso 0.987 0.987 400.0 tchain 1
-
-fix		2 all plumed plumedfile plumed-expand.dat outfile p.log
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/plumed-expand.dat b/examples/USER/plumed/plumed-expand.dat
deleted file mode 100644
index 29a8cf4182..0000000000
--- a/examples/USER/plumed/plumed-expand.dat
+++ /dev/null
@@ -1,3 +0,0 @@
-v: VOLUME 
-r: MOVINGRESTRAINT ARG=v KAPPA0=100. AT0=20 AT1=30 STEP0=0 STEP1=100
-PRINT ARG=v,r.* FILE=expanding
diff --git a/examples/USER/plumed/plumed_npt.dat b/examples/USER/plumed/plumed_npt.dat
index d41c41fa45..53579ac4ec 100644
--- a/examples/USER/plumed/plumed_npt.dat
+++ b/examples/USER/plumed/plumed_npt.dat
@@ -1,2 +1,2 @@
 vv: VOLUME
-PRINT ARG=vv FILE=plmd_volume_without_restraint
+PRINT ARG=vv FILE=plmd_volume_without_restraint FMT=%8.5f
diff --git a/examples/USER/plumed/plumed_npt2.dat b/examples/USER/plumed/plumed_npt2.dat
index ea26ab3042..2074128cd0 100644
--- a/examples/USER/plumed/plumed_npt2.dat
+++ b/examples/USER/plumed/plumed_npt2.dat
@@ -1,3 +1,3 @@
 vv: VOLUME
 RESTRAINT AT=0.0 ARG=vv SLOPE=-60.221429
-PRINT ARG=vv FILE=plmd_volume_with_restraint
+PRINT ARG=vv FILE=plmd_volume_with_restraint FMT=%8.5f
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 89115c4cce..d54b547862 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -138,6 +138,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   p->cmd("setTimestep",&dt);
 
   virial_flag=1;
+  thermo_virial=1;
   scalar_flag = 1;
 
 // This is the real initialization:

From 492e945b5ad85817f9c47814659ec4529d3c010b Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.phy.qub.ac.uk>
Date: Wed, 11 Jul 2018 16:39:52 +0100
Subject: [PATCH 010/273] Added options to link plumed statically

---
 lib/plumed/.gitignore          |   2 +
 lib/plumed/Install.py          | 147 +++++++++++++++++++++++++++++++++
 src/USER-PLUMED/Install.sh     |  27 ++++--
 src/USER-PLUMED/fix_plumed.cpp |  19 ++++-
 4 files changed, 186 insertions(+), 9 deletions(-)
 create mode 100644 lib/plumed/.gitignore
 create mode 100644 lib/plumed/Install.py

diff --git a/lib/plumed/.gitignore b/lib/plumed/.gitignore
new file mode 100644
index 0000000000..f1a18f99d0
--- /dev/null
+++ b/lib/plumed/.gitignore
@@ -0,0 +1,2 @@
+# files to ignore
+/plumed2*
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
new file mode 100644
index 0000000000..86e7cb7522
--- /dev/null
+++ b/lib/plumed/Install.py
@@ -0,0 +1,147 @@
+#!/usr/bin/env python
+
+# Install.py tool to download, unpack, build, and link to the Voro++ library
+# used to automate the steps described in the README file in this dir
+
+from __future__ import print_function
+import sys,os,re,subprocess
+
+# help message
+
+help = """
+Syntax from src dir: make lib-plumed args="-b"
+                 or: make lib-plumed args="-b -v 2.4.2"
+Syntax from lib dir: python Install.py -b -v 2.4.2
+                 or: python Install.py -b
+
+specify one or more options, order does not matter
+
+  -b = download and build the plumed2 library
+  -v = set version of Voro++ to download and build (default: latest stable version)
+
+Example:
+
+make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
+"""
+
+# settings
+
+version = "2.4.2"
+
+# Add known checksums for different PLUMED versions and use them to validate the download
+
+# print error message or help
+def error(str=None):
+  if not str: print(help)
+  else: print("ERROR",str)
+  sys.exit()
+
+# expand to full path name
+# process leading '~' or relative path
+
+def fullpath(path):
+  return os.path.abspath(os.path.expanduser(path))
+
+def which(program):
+  def is_exe(fpath):
+    return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
+
+  fpath, fname = os.path.split(program)
+  if fpath:
+    if is_exe(program):
+      return program
+  else:
+    for path in os.environ["PATH"].split(os.pathsep):
+      path = path.strip('"')
+      exe_file = os.path.join(path, program)
+      if is_exe(exe_file):
+        return exe_file
+
+  return None
+
+def geturl(url,fname):
+  success = False
+
+  if which('curl') != None:
+    cmd = 'curl -L -o "%s" %s' % (fname,url)
+    try:
+      subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+      success = True
+    except subprocess.CalledProcessError as e:
+      print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
+
+  if not success and which('wget') != None:
+    cmd = 'wget -O "%s" %s' % (fname,url)
+    try:
+      subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+      success = True
+    except subprocess.CalledProcessError as e:
+      print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
+
+  if not success:
+    error("Failed to download source code with 'curl' or 'wget'")
+  return
+
+# Here add function to check fsum
+
+# parse args
+
+args = sys.argv[1:]
+nargs = len(args)
+if nargs == 0: error()
+
+homepath = "."
+
+buildflag = False
+suffixflag = False
+linkflag = True
+
+iarg = 0
+while iarg < nargs:
+  if args[iarg] == "-v":
+    if iarg+2 > nargs: error()
+    version = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-b":
+    buildflag = True
+    iarg += 1
+  else: error()
+
+homepath = fullpath(homepath)
+
+# download and unpack plumed  tarball
+
+if buildflag:
+  url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
+  filename = "v%s.tar.gz" %version
+  print("Downloading plumed  ...")
+  geturl(url,filename) 
+
+  print("Unpacking plumed tarball ...")
+  if os.path.exists("%s/%s" % (homepath,version)):
+    cmd = 'rm -rf "%s/%s"' % (homepath,version)
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath,version)
+  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  os.remove("%s/v%s.tar.gz" % (homepath,version))
+
+# build plumed
+ 
+if buildflag:
+   print("Building plumed ...")
+   cmd = 'cd %s/plumed2-%s; ./configure ; make' % (homepath,version)
+   txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+   print(txt.decode('UTF-8'))
+# 
+# # create 2 links in lib/voronoi to Voro++ src dir
+# 
+# if linkflag:
+#   print("Creating links to Voro++ include and lib files")
+#   if os.path.isfile("includelink") or os.path.islink("includelink"):
+#     os.remove("includelink")
+#   if os.path.isfile("liblink") or os.path.islink("liblink"):
+#     os.remove("liblink")
+#   cmd = 'ln -s "%s/src" includelink' % homedir
+#   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+#   cmd = 'ln -s "%s/src" liblink' % homedir
+#   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index e48bd546b0..69653ae60f 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -5,20 +5,33 @@ if (test $1 = 1) then
 
   if (test -e ../Makefile.package) then
     sed -i -e 's|^PKG_LIB =[ \t]*|& $(PLUMED_LOAD) |' ../Makefile.package
-    sed -i -e 's|^PKG_SYSINC =[ \t]*|& -D__PLUMED_HAS_DLOPEN |' ../Makefile.package
+    if ( ! test -e ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static ) then
+        sed -i -e 's|^PKG_SYSINC =[ \t]*|& -D__PLUMED_HAS_DLOPEN |' ../Makefile.package
+    fi
   fi
 
   if (test -e ../Makefile.package.settings) then
+    # This is for statically linking plumed2
+    if ( test -e ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static ) then  
+       fname=`ls ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static` 
+       sed -i -e "4 i \
+include $fname
+" ../Makefile.package.settings
+       dname=`ls ../../lib/plumed/plumed2*/src/wrapper/Plumed.h`
+       ln -s USER-PLUMED/$dname ../Plumed.h
+    # This is for linking plumed2 as a runtime library  -- this is the default behavior
+    else 
     # multiline form needed for BSD sed on Macs
-    sed -i -e '4 i \
+       sed -i -e '4 i \
 PLUMED_LOAD=-ldl
 ' ../Makefile.package.settings
+       cp Plumed.h ..
+       cp Plumed.cpp ..
+    fi
   fi
 
   cp fix_plumed.cpp ..
   cp fix_plumed.h ..
-  cp Plumed.h ..
-  cp Plumed.cpp ..
 
 elif (test $1 = 0) then
 
@@ -28,12 +41,16 @@ elif (test $1 = 0) then
   fi
 
   if (test -e ../Makefile.package.settings) then
+    fname=`ls ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static`
+    sed -i -e "\:include $fname: d" ../Makefile.package.settings 
     sed -i -e '/PLUMED_LOAD=-ldl/d' ../Makefile.package.settings
   fi
 
   rm -f ../fix_plumed.cpp
   rm -f ../fix_plumed.h
   rm -f ../Plumed.h
-  rm -f ../Plumed.cpp
+  if ( test -e ../Plumed.h ) then
+       rm -f ../Plumed.cpp
+  fi
 
 fi
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index d54b547862..32ff09b8c2 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -192,6 +192,9 @@ void FixPlumed::min_setup(int vflag)
 
 void FixPlumed::post_force(int vflag)
 {
+// Check tag is enabled
+  if( !atom->tag_enable ) error->all(FLERR,"to run PLUMED you must have tag_enable==1");
+
   int update_gatindex=0;
 // Try to find out if the domain decomposition has been updated:
   if(nlocal!=atom->nlocal){
@@ -216,10 +219,18 @@ void FixPlumed::post_force(int vflag)
 // In case it has been updated, rebuild the local mass/charges array
 // and tell plumed about the change:
   if(update_gatindex){
-    for(int i=0;i<nlocal;i++){
-      gatindex[i]=atom->tag[i]-1;
-      masses[i]=atom->mass[atom->type[i]];
-      if(atom->q) charges[i]=atom->q[i];
+    for(int i=0;i<nlocal;i++) gatindex[i]=atom->tag[i]-1;
+    // Get masses 
+    if(atom->rmass_flag) {
+       for(int i=0;i<nlocal;i++) masses[i]=atom->rmass[i];
+    } else {
+       for(int i=0;i<nlocal;i++) masses[i]=atom->mass[atom->type[i]];
+    }
+    // Get charges
+    if(atom->q_flag) {
+       for(int i=0;i<nlocal;i++) charges[i]=atom->q[i];
+    } else {
+       for(int i=0;i<nlocal;i++) charges[i]=0.0;
     }
     p->cmd("setAtomsNlocal",&nlocal);
     p->cmd("setAtomsGatindex",gatindex);

From 4734bc09dcebc0a3974e5b2b93229424776cff48 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Wed, 11 Jul 2018 21:56:08 +0100
Subject: [PATCH 011/273] Added descriptions of static linking of PLUMED to
 README files

---
 lib/plumed/README          | 56 ++++++++++++++++++++++++++++++++++++++
 src/USER-PLUMED/Install.sh |  6 ++--
 src/USER-PLUMED/README     | 33 ++++++++++++++++------
 3 files changed, 83 insertions(+), 12 deletions(-)
 create mode 100644 lib/plumed/README

diff --git a/lib/plumed/README b/lib/plumed/README
new file mode 100644
index 0000000000..fb8ef29ff3
--- /dev/null
+++ b/lib/plumed/README
@@ -0,0 +1,56 @@
+This directory contains links to the PLUMED library which is required
+to use the PLUMED package and its fix plumed command in a
+LAMMPS input script.  PLUMED should only be downloaded into this directory if 
+you wish to statically link the library.  If you wish to link PLUMED as 
+a dynamic library (as we recommend) then you can compile and build PLUMED
+separately to LAMMPS.  To use PLUMED in conjuction with LAMMPS you then simply
+need to ensure that the PLUMED library is in your path at runtime.
+
+More info about the PLUMED library can be found at http://www.plumed.org.
+
+You can type "make lib-plumed" from the src directory to see help on
+how to download, build and statically link PLUMED via make commands, or you can
+do the same thing by typing "python Install.py" from within this
+directory.   Alternatively you can download and build PLUMED manually by following the instructions
+below.
+
+-----------------
+
+Instructions:
+
+1.  Download PLUMED either as a tarball from 
+    http://www.plumed.org/get-it
+    or clone it using git clone https://github.com/plumed/plumed2.git. 
+    If you download the tarball
+    unpack it in unpack it in this /lib/plumed directory.
+    Similarly if you clone it clone it to the /lib/plumed
+    directory.
+
+2.  Compile PLUMED from within its home directory.  In the 
+    simplest cases this be done by issuing the commands
+    % ./configure
+    % make
+    More detailed instructions can be found at
+    http://plumed.github.io/doc-master/user-doc/html/_installation.html
+
+3.  There is no need to install PLUMED if you only wish
+    to use it from LAMMPS.  You should thus only run 
+    make install if you want to use PLUMED as a stand-alone
+    code or from some other code.  To install it you can 
+    run the following commands:
+    a) install under the default /usr/local
+       % sudo make install
+    b) install under a user-writeable location by first
+         changing the PREFIX variable when running the 
+         configure command file, then
+       % make install
+
+-----------------
+
+When these steps are complete you can build LAMMPS
+with the PLUMED package installed:
+
+% cd lammps/src
+% make yes-user-plumed
+% make mpi (or whatever target you wish)
+
diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index 69653ae60f..0b8e9e6c9a 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -14,9 +14,9 @@ if (test $1 = 1) then
     # This is for statically linking plumed2
     if ( test -e ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static ) then  
        fname=`ls ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static` 
-       sed -i -e "4 i \
-include $fname
-" ../Makefile.package.settings
+       sed -i -e '4 i \
+include '$fname'
+' ../Makefile.package.settings
        dname=`ls ../../lib/plumed/plumed2*/src/wrapper/Plumed.h`
        ln -s USER-PLUMED/$dname ../Plumed.h
     # This is for linking plumed2 as a runtime library  -- this is the default behavior
diff --git a/src/USER-PLUMED/README b/src/USER-PLUMED/README
index 02a0229e57..11ca0a7281 100644
--- a/src/USER-PLUMED/README
+++ b/src/USER-PLUMED/README
@@ -11,18 +11,33 @@ folder implement an interface between LAMMPS and PLUMED, that are written
 and maintained by Gareth Tribello (gareth.tribello@gmail.com).
 
 PLUMED must instead be downloaded and compiled separately to LAMMPS.  This building 
-and compiling of PLUEMD can be done before or after the building of LAMMPS as LAMMPS 
-calls PLUMED as a dynamic library.  If you wish to use PLUMED with LAMMPS, however, 
-you must run the command:
+and compiling of PLUMED can be done before or after the building of LAMMPS as LAMMPS 
+can call PLUMED as a dynamic library.  There is also the possibility to link PLUEMD 
+statically.  In this case a copy of PLUMED must be downloaded into the lib/plumed 
+directory.  This copy of PLUMED will then always be linked into the code at compile 
+time. 
+
+However you decide to link PLUMED (statically or dynamically) you must run the command:
 
 make yes-user-plumed
 
-before compiling LAMMPS.  Furthermore, you must ensure that PLUMED is in your 
+before compiling LAMMPS in order to enable the module.   In addition, if you have chosen to 
+link PLUMED dynamically you must ensure that PLUMED is in your 
 PATH when running a LAMMPS calculation that takes advantage of PLUMED.  If 
-PLUMED is not in the PATH an error will be returned whenever LAMMPS encounters 
-the fix plumed command in its input.  To be clear, however, LAMMPS will run if 
-it is compiled with fix-plumed enabled on inputs that do not contain a fix 
-plumed command when PLUMED is not in the PATH.
+PLUMED is linked as a runtime library and if PLUMED is not in the PATH an error will be returned whenever LAMMPS encounters 
+the fix plumed command in its input.  To be clear, however, a LAMMPS executable that was dynamically linked with PLUMED will run 
+even if PLUMED is not in the path if as long as the input does not contain a fix 
+plumed command.
+
+If you wish to statically link PLUMED you must download PLUMED to the /lib/plumed directory before compiling LAMMPS.  You can 
+download a tar ball into that directory or you can clone the plumed2 repository from github there.  Once you have created a 
+directory containing a distribution of PLUMED within /lib/plumed you then must build PLUMED within that directory by issuing 
+the usual commands.  It is worth noting that we have provided a script that will download and build PLUMED for you with 
+a minimal set of options.  To run this script you need to issue the following command:
+
+make lib-plumed args="-b"
+
+in the src directory. 
 
 More info about the PLUMED library can be found at:
 
@@ -45,7 +60,7 @@ numerous example scripts for PLUMED as well as citations to articles that dcomen
 implemented within PLUMED.
 
 There are also example scripts for using this package in the folder
-examples/USER/colvars, as well as on the GitHub page for PLUMED.
+examples/USER/plumed, as well as on the GitHub page for PLUMED.
 
 Please contact Gareth Tribello (gareth.tribello@gmail.com) for questions
 regarding this package.

From 6d9face1ec0b3e55ce62ba40d1783cac7dab6eca Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Thu, 12 Jul 2018 12:26:09 +0100
Subject: [PATCH 012/273] Added documentation describing PLUMED package
 installation

---
 doc/src/Section_packages.txt         | 72 ++++++++++++++++++++++++++++
 examples/USER/plumed/check-plumed.sh |  6 +++
 2 files changed, 78 insertions(+)

diff --git a/doc/src/Section_packages.txt b/doc/src/Section_packages.txt
index e9387fe35f..2a150b08bc 100644
--- a/doc/src/Section_packages.txt
+++ b/doc/src/Section_packages.txt
@@ -1784,6 +1784,78 @@ examples/USER/colvars :ul
 
 :line
 
+USER-PLUMED package :link(USER-PLUMED),h4
+
+[Contents:]
+
+The fix plumed command allows you to use the plugin for molecular
+dynamics PLUMED to analyse and bias your LAMMPS trajectory on the fly.
+In practise PLUMED is called from within the lammps input script by using
+the "fix plumed _fix_plumed.html command.
+
+[Authors:] The PLUMED library is written and maintained by
+Massimilliano Bonomi, Giovanni Bussi, Carlo Camiloni and
+Gareth Tribello. 
+
+[Install or un-install:]
+
+Before building LAMMPS with this package, you must first build 
+PLUMED.  We recommending building PLUMED separately to LAMMPS using
+the instructions that can be found at http://plumed.github.io/doc-master/user-doc/html/_installation.html.
+Before compiling LAMMPS you can then install the fix plumed command
+and compile LAMMPS in the usual manner:
+
+make yes-user-plumed 
+make machine :pre
+
+Once this compilation completes you should be able to run LAMMPS in the usual
+way.  When running LAMMPS with an input script that contains a fix
+plumed command LAMMPS will try to call the PLUMED runtime library.  PLUMED
+must therefore be available in your path if LAMMPS is compiled in this way.
+
+On some machines it is not possible to call runtime libraries in the way described
+above.  When compiling on these machines it is thus better to statically link 
+PLUMED when compiling LAMMPS.  To do this you must either download a PLUMED
+tarball from http://www.plumed.org/get-it or clone it using 
+git clone https://github.com/plumed/plumed2.git.  If you download the tarball
+unpack it in the /lib/plumed directory.  Similarly if you clone 
+it clone it to the /lib/plumed directory as if there is a version of PLUMED within 
+this directory LAMMPS will always try to statically link the version of PLUMED 
+that this directory contains instead of dynamically linking the library.
+
+Once you have downloaded PLUMED into /lib/plumed you must again build the code
+here by following the instructions that can be found at
+http://plumed.github.io/doc-master/user-doc/html/_installation.html.
+
+You can statically link PLUMED manually and if you want to access the full 
+range of PLUMED functionalities this is what you should do.  If you only want the
+basic range of functionalities, however, (i.e. no user contributed modules) then 
+you can download and compile PLUMED in one step from the lammps/src dir, using a 
+command like like those below:
+
+make lib-plumed                       # print help message
+make lib-plumed  args="-b"            # download and build the latest stable version of PLUMED
+
+These commands will simply invoke the lib/plumed/Install.py script with 
+args specified.  Furthermore, once the script has completed you should 
+have a compiled version of PLUMED.  With this built you can install/un-install
+PLUMED and build LAMMPS in the usual manner:
+
+make yes-user-plumed
+make machine :pre
+
+make no-user-plumed
+make machine :pre
+
+[Supporting info:]
+
+src/USER-PLUMED/README
+lib/plumed/README
+"fix plumed "_fix_plumed.html
+examples/USER/plumed :ul
+
+:line
+
 USER-DIFFRACTION package :link(USER-DIFFRACTION),h4
 
 [Contents:]
diff --git a/examples/USER/plumed/check-plumed.sh b/examples/USER/plumed/check-plumed.sh
index 0dadc96f41..b1b599f15c 100755
--- a/examples/USER/plumed/check-plumed.sh
+++ b/examples/USER/plumed/check-plumed.sh
@@ -1,3 +1,9 @@
+#  Needs make yes-molecule
+#        make yes-rigid
+#        make yes-kspace
+#        make yes-user-plumed    ( obviously )
+
+
 #!/bin/bash
 
 LAMMPS=../../../src/lmp_mpi

From c442166dede75d2b06ea0d4cd71dce6477163794 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Thu, 12 Jul 2018 16:22:40 +0100
Subject: [PATCH 013/273] Tidied up example directory for PLUMED

---
 examples/USER/plumed/check-plumed.sh          |  89 ---------------
 examples/USER/plumed/clear-files.sh           |   8 --
 examples/USER/plumed/colvar                   | 103 ++++++++++++++++++
 examples/USER/plumed/in.peptide-plumed        |   3 -
 .../plumed/in.peptide-plumed-eng-force-plumed |  41 -------
 .../plumed/in.peptide-plumed-engforce-ref     |  40 -------
 .../plumed/in.peptide-plumed-lammps-restraint |  44 --------
 examples/USER/plumed/in.peptide-plumed-npt    |  43 --------
 examples/USER/plumed/in.peptide-plumed-npt2   |  43 --------
 .../plumed/in.peptide-plumed-plumed-restraint |  44 --------
 examples/USER/plumed/p.log                    |  57 ++++++++++
 examples/USER/plumed/plumed-eng-ref.dat       |   2 -
 examples/USER/plumed/plumed-engforce.dat      |   3 -
 examples/USER/plumed/plumed-norestraint.dat   |   3 -
 examples/USER/plumed/plumed-restraint.dat     |   4 -
 examples/USER/plumed/plumed.dat               |  11 +-
 examples/USER/plumed/plumed_npt.dat           |   2 -
 examples/USER/plumed/plumed_npt2.dat          |   3 -
 18 files changed, 164 insertions(+), 379 deletions(-)
 delete mode 100755 examples/USER/plumed/check-plumed.sh
 delete mode 100755 examples/USER/plumed/clear-files.sh
 create mode 100644 examples/USER/plumed/colvar
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-eng-force-plumed
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-engforce-ref
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-lammps-restraint
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-npt
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-npt2
 delete mode 100644 examples/USER/plumed/in.peptide-plumed-plumed-restraint
 create mode 100644 examples/USER/plumed/p.log
 delete mode 100644 examples/USER/plumed/plumed-eng-ref.dat
 delete mode 100644 examples/USER/plumed/plumed-engforce.dat
 delete mode 100644 examples/USER/plumed/plumed-norestraint.dat
 delete mode 100644 examples/USER/plumed/plumed-restraint.dat
 delete mode 100644 examples/USER/plumed/plumed_npt.dat
 delete mode 100644 examples/USER/plumed/plumed_npt2.dat

diff --git a/examples/USER/plumed/check-plumed.sh b/examples/USER/plumed/check-plumed.sh
deleted file mode 100755
index b1b599f15c..0000000000
--- a/examples/USER/plumed/check-plumed.sh
+++ /dev/null
@@ -1,89 +0,0 @@
-#  Needs make yes-molecule
-#        make yes-rigid
-#        make yes-kspace
-#        make yes-user-plumed    ( obviously )
-
-
-#!/bin/bash
-
-LAMMPS=../../../src/lmp_mpi
-
-# Run first LAMMPS calculation
-$LAMMPS < in.peptide-plumed
-
-# Check PLUMED positions
-nlines=`paste plumed.xyz lammps.xyz | awk '{if( $2<$6-0.0001 || $2>$6+0.0001 || $3<$7-0.0001 || $3>$7+0.0001 || $4<$8-0.0002 || $4>$8+0.0002 ) if( $5!="Timestep:" && $1!=2004 ) print $0}' | wc -l` 
-if [ "$nlines" -gt 0 ] ; then
-   echo ERROR passing positions from LAMMPS to PLUMED
-   paste plumed.xyz lammps.xyz | awk '{if( $2<$6-0.0001 || $2>$6+0.0001 || $3<$7-0.0001 || $3>$7+0.0001 || $4<$8-0.0002 || $4>$8+0.0002 ) if( $5!="Timestep:" && $1!=2004 ) print $0, $2-$6, $3-$7, $4-$8}'
-fi
-
-# CHECK PLUMED timestep
-tstep=`grep timestep in.peptide-plumed | awk '{print $2}'`
-tstep=`echo $tstep \* 0.001 \* 10 | bc -l`
-nlines=`wc -l plmd_energy | awk '{print $1}'`
-
-for ((i=3;i<$nlines;i++)); do
-   told=`head -n $(($i-1)) plmd_energy | tail -n 1 | awk '{print $1}'`
-   tnew=`head -n $i plmd_energy | tail -n 1 | awk '{print $1}'`
-   tdiff=`echo \( $tnew - $told - $tstep \) \> 0 | bc -l`
-   if [ $tdiff -gt 0 ] ; then
-      echo ERROR passing timestep from LAMMPS to PLUMED
-   fi
-done
-
-# Check PLUMED energy
-tail -n +2 plmd_energy > plmd_energy2 
-nlines=`paste lammps_energy plmd_energy2 | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l` 
-if [ "$nlines" -gt 0 ] ; then
-   echo ERROR passing potential energy from LAMMPS to PLUMED
-   paste lammps_energy plmd_energy2 | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}'
-fi
-rm -f plmd_energy2
-
-# Check PLMD mass and charge
-nlines=`wc -l mq_lammps | awk '{print $1}'`
-sline=`grep -n "mass q" mq_lammps | awk '{print $1}' | sed -e s/:ITEM://`
-for ((i=$sline+1;i<$nlines;i++)); do
-    # Mass and charge from LAMMPS
-    index=`head -n $i mq_lammps | tail -n 1 | awk '{print $1}'`
-    l_mass=`head -n $i mq_lammps | tail -n 1 | awk '{print $2}'`
-    l_charge=`head -n $i mq_lammps | tail -n 1 | awk '{print $3}'`
-    # Mass and charge from PLUMED
-    p_mass=`head -n $(($index+1)) mq_plumed | tail -n 1 | awk '{print $2}'`
-    p_charge=`head -n $(($index+1)) mq_plumed | tail -n 1 | awk '{print $3}'`
-    # Check PLUMED mass is same as lammps mass
-    mdiff=`echo \( $l_mass - $p_mass \) \> 0 | bc -l` 
-    if [ "$mdiff" -gt 0 ] ; then
-         echo ERROR passing masses from LAMMPS to PLUMED
-    fi 
-    # Check PLUMED charge is same as lammps charge
-    qdiff=`echo \( $l_charge - $p_charge \) \> 0 | bc -l` 
-    if [ "$qdiff" -gt 0 ] ; then
-         echo ERROR passing charges from LAMMPS to PLUMED
-    fi 
-done
-
-# Run calculations to test adding restraint on bond
-$LAMMPS < in.peptide-plumed-plumed-restraint
-$LAMMPS < in.peptide-plumed-lammps-restraint
-# Now compare value of distance when lammps and plumed restraint the distance
-nlines=`paste lammps_restraint plumed_restraint | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l`
-if [ "$nlines" -gt 0 ] ; then
-      echo ERROR passing forces from PLUMED back to LAMMPS
-fi
-
-# Now run calculations to test virial
-$LAMMPS < in.peptide-plumed-npt
-$LAMMPS < in.peptide-plumed-npt2	
-
-nlines=`paste plmd_volume_with_restraint plmd_volume_without_restraint | tail -n +2 | awk '{if( $2<$4-0.0001 || $2>$4+0.0001 ) print $0}' | wc -l`
-if [ "$nlines" -gt 0 ] ; then
-      echo ERROR passing virial from PLUMED back to LAMMPS
-fi
-
-# Nothing from here works
-
-# Now run calculations to check forces on energy
-$LAMMPS < in.peptide-plumed-engforce-ref
-$LAMMPS < in.peptide-plumed-eng-force-plumed
diff --git a/examples/USER/plumed/clear-files.sh b/examples/USER/plumed/clear-files.sh
deleted file mode 100755
index 5e588146f7..0000000000
--- a/examples/USER/plumed/clear-files.sh
+++ /dev/null
@@ -1,8 +0,0 @@
-#!/bin/bash
-
-# Data from first set of checks
-rm bck.* plmd_energy lammps_energy mq_plumed mq_lammps lammps.xyz plumed.xyz p.log
-# Data from checks on restraints
-rm bck.* p.log lammps_restraint plumed_restraint
-# Data from checks on virial
-rm bck.* lammps_energy lammps.xyz log.lammps plmd_volume p.log plmd_volume_without_restraint plmd_volume_with_restraint
diff --git a/examples/USER/plumed/colvar b/examples/USER/plumed/colvar
new file mode 100644
index 0000000000..df282364f5
--- /dev/null
+++ b/examples/USER/plumed/colvar
@@ -0,0 +1,103 @@
+#! FIELDS time dd
+ 0.000000 5.985554
+ 0.002000 6.002880
+ 0.004000 6.022015
+ 0.006000 6.029922
+ 0.008000 6.020103
+ 0.010000 5.996906
+ 0.012000 5.972734
+ 0.014000 5.960079
+ 0.016000 5.963714
+ 0.018000 5.978140
+ 0.020000 5.991813
+ 0.022000 5.995155
+ 0.024000 5.987021
+ 0.026000 5.975340
+ 0.028000 5.971456
+ 0.030000 5.981945
+ 0.032000 6.003550
+ 0.034000 6.024743
+ 0.036000 6.032990
+ 0.038000 6.022936
+ 0.040000 6.000131
+ 0.042000 5.977800
+ 0.044000 5.968692
+ 0.046000 5.977224
+ 0.048000 5.996934
+ 0.050000 6.014800
+ 0.052000 6.019586
+ 0.054000 6.008803
+ 0.056000 5.989809
+ 0.058000 5.974484
+ 0.060000 5.971140
+ 0.062000 5.979074
+ 0.064000 5.989379
+ 0.066000 5.991356
+ 0.068000 5.980176
+ 0.070000 5.960625
+ 0.072000 5.944401
+ 0.074000 5.942614
+ 0.076000 5.958402
+ 0.078000 5.984574
+ 0.080000 6.007964
+ 0.082000 6.017667
+ 0.084000 6.011795
+ 0.086000 5.998304
+ 0.088000 5.989405
+ 0.090000 5.993275
+ 0.092000 6.008545
+ 0.094000 6.025183
+ 0.096000 6.031186
+ 0.098000 6.020651
+ 0.100000 5.997952
+ 0.102000 5.975230
+ 0.104000 5.964757
+ 0.106000 5.971150
+ 0.108000 5.988568
+ 0.110000 6.004676
+ 0.112000 6.008731
+ 0.114000 5.998481
+ 0.116000 5.981406
+ 0.118000 5.969615
+ 0.120000 5.971827
+ 0.122000 5.987658
+ 0.124000 6.007888
+ 0.126000 6.020477
+ 0.128000 6.018377
+ 0.130000 6.004046
+ 0.132000 5.987682
+ 0.134000 5.980338
+ 0.136000 5.986534
+ 0.138000 6.001303
+ 0.140000 6.013589
+ 0.142000 6.013717
+ 0.144000 6.000028
+ 0.146000 5.980283
+ 0.148000 5.966836
+ 0.150000 5.968670
+ 0.152000 5.985459
+ 0.154000 6.007612
+ 0.156000 6.022374
+ 0.158000 6.022034
+ 0.160000 6.008851
+ 0.162000 5.993355
+ 0.164000 5.987212
+ 0.166000 5.995452
+ 0.168000 6.013111
+ 0.170000 6.028386
+ 0.172000 6.030387
+ 0.174000 6.016468
+ 0.176000 5.994191
+ 0.178000 5.976616
+ 0.180000 5.973983
+ 0.182000 5.987185
+ 0.184000 6.007275
+ 0.186000 6.021338
+ 0.188000 6.020837
+ 0.190000 6.006955
+ 0.192000 5.989433
+ 0.194000 5.979796
+ 0.196000 5.983601
+ 0.198000 5.996921
+ 0.200000 6.009310
+ 0.202000 6.011114
diff --git a/examples/USER/plumed/in.peptide-plumed b/examples/USER/plumed/in.peptide-plumed
index ef9d15b961..6972c0cfca 100644
--- a/examples/USER/plumed/in.peptide-plumed
+++ b/examples/USER/plumed/in.peptide-plumed
@@ -35,10 +35,7 @@ fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
 
 thermo_style	custom step temp etotal pe ke epair ebond f_2
 thermo		10
-dump            dd all xyz 10 lammps.xyz
 variable        step equal step
 variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
 
 run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-eng-force-plumed b/examples/USER/plumed/in.peptide-plumed-eng-force-plumed
deleted file mode 100644
index e45fd0844a..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-eng-force-plumed
+++ /dev/null
@@ -1,41 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	1.8181818181818181
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix		1 all nvt temp  363.0 363.0 90.90909090909091 tchain 1
-
-fix		2 all plumed plumedfile plumed-engforce.dat outfile p.log
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-engforce-ref b/examples/USER/plumed/in.peptide-plumed-engforce-ref
deleted file mode 100644
index d812e2b015..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-engforce-ref
+++ /dev/null
@@ -1,40 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix		1 all nvt temp  300.0 300.0 100.0 tchain 1
-
-fix		2 all plumed plumedfile plumed-eng-ref.dat outfile p.log
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-lammps-restraint b/examples/USER/plumed/in.peptide-plumed-lammps-restraint
deleted file mode 100644
index 3476c76b22..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-lammps-restraint
+++ /dev/null
@@ -1,44 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
-fix             6 all restrain bond 45 48 1000.0 1000.0 6.0
-fix		2 all plumed plumedfile plumed-norestraint.dat outfile p.log
-fix		2a ref setforce 0.0 0.0 0.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-npt b/examples/USER/plumed/in.peptide-plumed-npt
deleted file mode 100644
index 1fe9e0c2fa..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-npt
+++ /dev/null
@@ -1,43 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix             4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-fix		1 all npt temp  275.0 275.0 100.0 iso 0.987 0.987 400.0 tchain 1
-
-fix		2 all plumed plumedfile plumed_npt.dat outfile p.log
-fix		2a ref setforce 0.0 0.0 0.0
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-npt2 b/examples/USER/plumed/in.peptide-plumed-npt2
deleted file mode 100644
index 984407d1e8..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-npt2
+++ /dev/null
@@ -1,43 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix             4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-fix		1 all npt temp  275.0 275.0 100.0 iso 987.9 987.9 400.0 tchain 1
-
-fix		2 all plumed plumedfile plumed_npt2.dat outfile p.log
-fix		2a ref setforce 0.0 0.0 0.0
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/in.peptide-plumed-plumed-restraint b/examples/USER/plumed/in.peptide-plumed-plumed-restraint
deleted file mode 100644
index 8ce35dd720..0000000000
--- a/examples/USER/plumed/in.peptide-plumed-plumed-restraint
+++ /dev/null
@@ -1,44 +0,0 @@
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-group		one id 2 4 5 6
-group		two id 80 82 83 84
-group		ref id 37
-group		colvar union one two ref
-
-fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
-
-fix		2 all plumed plumedfile plumed-restraint.dat outfile p.log
-fix		2a ref setforce 0.0 0.0 0.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-dump            dd all xyz 10 lammps.xyz
-variable        step equal step
-variable        pe equal pe
-fix             5 all print 10 "$(v_step) $(v_pe)" file lammps_energy
-dump            mq all custom 200 mq_lammps id mass q 
-
-run		101
diff --git a/examples/USER/plumed/p.log b/examples/USER/plumed/p.log
new file mode 100644
index 0000000000..79d0bbd84c
--- /dev/null
+++ b/examples/USER/plumed/p.log
@@ -0,0 +1,57 @@
+PLUMED: PLUMED is starting
+PLUMED: Version: 2.4.2 (git: Unknown) compiled on Jul 11 2018 at 19:09:03
+PLUMED: Please cite this paper when using PLUMED [1]
+PLUMED: For further information see the PLUMED web page at http://www.plumed.org
+PLUMED: Root: /Users/gareth/MD_code/lammps-permanent/lammps/lib/plumed/plumed2-2.4.2/
+PLUMED: For installed feature, see /Users/gareth/MD_code/lammps-permanent/lammps/lib/plumed/plumed2-2.4.2//src/config/config.txt
+PLUMED: Molecular dynamics engine: LAMMPS
+PLUMED: Precision of reals: 8
+PLUMED: Running over 1 node
+PLUMED: Number of threads: 1
+PLUMED: Cache line size: 512
+PLUMED: Number of atoms: 2004
+PLUMED: File suffix: 
+PLUMED: FILE: plumed.dat
+PLUMED: Action UNITS
+PLUMED:   with label @0
+PLUMED:   length: A
+PLUMED:   energy: kcal/mol
+PLUMED:   time: ps
+PLUMED:   charge: e
+PLUMED:   mass: amu
+PLUMED:   using physical units
+PLUMED:   inside PLUMED, Boltzmann constant is 0.001987
+PLUMED: Action DISTANCE
+PLUMED:   with label dd
+PLUMED:   between atoms 45 48
+PLUMED:   using periodic boundary conditions
+PLUMED: Action RESTRAINT
+PLUMED:   with label @2
+PLUMED:   with arguments dd
+PLUMED:   added component to this action:  @2.bias 
+PLUMED:   at 6.000000
+PLUMED:   with harmonic force constant 2000.000000
+PLUMED:   and linear force constant 0.000000
+PLUMED:   added component to this action:  @2.force2 
+PLUMED: Action PRINT
+PLUMED:   with label @3
+PLUMED:   with stride 1
+PLUMED:   with arguments dd
+PLUMED:   on file colvar
+PLUMED:   with format  %f
+PLUMED: END FILE: plumed.dat
+PLUMED: Timestep: 0.002000
+PLUMED: KbT has not been set by the MD engine
+PLUMED: It should be set by hand where needed
+PLUMED: Relevant bibliography:
+PLUMED:   [1] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014)
+PLUMED: Please read and cite where appropriate!
+PLUMED: Finished setup
+PLUMED:                                               Cycles        Total      Average      Minumum      Maximum
+PLUMED:                                                    1     0.020354     0.020354     0.020354     0.020354
+PLUMED: 1 Prepare dependencies                           102     0.000256     0.000003     0.000001     0.000006
+PLUMED: 2 Sharing data                                   102     0.010002     0.000098     0.000078     0.000546
+PLUMED: 3 Waiting for data                               102     0.001398     0.000014     0.000011     0.000072
+PLUMED: 4 Calculating (forward loop)                     102     0.001797     0.000018     0.000013     0.000058
+PLUMED: 5 Applying (backward loop)                       102     0.002666     0.000026     0.000022     0.000062
+PLUMED: 6 Update                                         102     0.001126     0.000011     0.000007     0.000055
diff --git a/examples/USER/plumed/plumed-eng-ref.dat b/examples/USER/plumed/plumed-eng-ref.dat
deleted file mode 100644
index 90e589157e..0000000000
--- a/examples/USER/plumed/plumed-eng-ref.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-e: ENERGY
-PRINT ARG=e FILE=energy_ref FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-engforce.dat b/examples/USER/plumed/plumed-engforce.dat
deleted file mode 100644
index 31a1564798..0000000000
--- a/examples/USER/plumed/plumed-engforce.dat
+++ /dev/null
@@ -1,3 +0,0 @@
-e: ENERGY
-RESTRAINT ARG=e AT=0 SLOPE=0.1
-PRINT ARG=e FILE=engforced FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-norestraint.dat b/examples/USER/plumed/plumed-norestraint.dat
deleted file mode 100644
index 1fed74ae81..0000000000
--- a/examples/USER/plumed/plumed-norestraint.dat
+++ /dev/null
@@ -1,3 +0,0 @@
-UNITS LENGTH=A
-dd: DISTANCE ATOMS=45,48 
-PRINT ARG=dd FILE=lammps_restraint FMT=%8.4f
diff --git a/examples/USER/plumed/plumed-restraint.dat b/examples/USER/plumed/plumed-restraint.dat
deleted file mode 100644
index 6ae4c8ce10..0000000000
--- a/examples/USER/plumed/plumed-restraint.dat
+++ /dev/null
@@ -1,4 +0,0 @@
-UNITS LENGTH=A ENERGY=kcal/mol
-dd: DISTANCE ATOMS=45,48 
-RESTRAINT ARG=dd KAPPA=2000 AT=6.0
-PRINT ARG=dd FILE=plumed_restraint FMT=%8.4f 
diff --git a/examples/USER/plumed/plumed.dat b/examples/USER/plumed/plumed.dat
index 7fe1290c0d..0437836d03 100644
--- a/examples/USER/plumed/plumed.dat
+++ b/examples/USER/plumed/plumed.dat
@@ -1,7 +1,4 @@
-UNITS ENERGY=kcal/mol
-c1: COM ATOMS=2,4,5,6
-c2: COM ATOMS=80,82,83,84
-energy: ENERGY
-DUMPATOMS ATOMS=1-2004 FILE=plumed.xyz UNITS=A PRECISION=4 STRIDE=10
-PRINT ARG=energy STRIDE=10 FMT=%8.4f FILE=plmd_energy
-DUMPMASSCHARGE FILE=mq_plumed 
+UNITS LENGTH=A ENERGY=kcal/mol
+dd: DISTANCE ATOMS=45,48 
+RESTRAINT ARG=dd KAPPA=2000 AT=6.0
+PRINT ARG=dd FILE=colvar
diff --git a/examples/USER/plumed/plumed_npt.dat b/examples/USER/plumed/plumed_npt.dat
deleted file mode 100644
index 53579ac4ec..0000000000
--- a/examples/USER/plumed/plumed_npt.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-vv: VOLUME
-PRINT ARG=vv FILE=plmd_volume_without_restraint FMT=%8.5f
diff --git a/examples/USER/plumed/plumed_npt2.dat b/examples/USER/plumed/plumed_npt2.dat
deleted file mode 100644
index 2074128cd0..0000000000
--- a/examples/USER/plumed/plumed_npt2.dat
+++ /dev/null
@@ -1,3 +0,0 @@
-vv: VOLUME
-RESTRAINT AT=0.0 ARG=vv SLOPE=-60.221429
-PRINT ARG=vv FILE=plmd_volume_with_restraint FMT=%8.5f

From c8870f1b78e5863fbd49e961ce2cf210e93c5d7e Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 24 Oct 2018 11:57:34 -0600
Subject: [PATCH 014/273] change intro to each list of commands

---
 doc/src/bond_style.txt     | 12 +++++++++---
 doc/src/compute.txt        |  5 -----
 doc/src/dihedral_style.txt | 14 ++++++++++----
 doc/src/fix.txt            |  4 ----
 doc/src/improper_style.txt | 14 ++++++++++----
 doc/src/pair_style.txt     | 14 +++++---------
 6 files changed, 34 insertions(+), 29 deletions(-)

diff --git a/doc/src/bond_style.txt b/doc/src/bond_style.txt
index 197a4fb1b6..d603bc28fd 100644
--- a/doc/src/bond_style.txt
+++ b/doc/src/bond_style.txt
@@ -65,9 +65,15 @@ Here is an alphabetic list of bond styles defined in LAMMPS.  Click on
 the style to display the formula it computes and coefficients
 specified by the associated "bond_coeff"_bond_coeff.html command.
 
-Note that there are also additional bond styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-bond styles is on the "Commands bond"_Commands_bond.html doc page.
+Click on the style to display the formula it computes, any additional
+arguments specified in the bond_style command, and coefficients
+specified by the associated "bond_coeff"_bond_coeff.html command.
+
+There are also additional accelerated pair styles included in the
+LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
+The individual style names on the "Commands bond"_Commands_bond.html
+doc page are followed by one or more of (g,i,k,o,t) to indicate which
+accelerated styles exist.
 
 "none"_bond_none.html - turn off bonded interactions
 "zero"_bond_zero.html - topology but no interactions
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index 857795ffe5..c34d6f950b 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -164,11 +164,6 @@ and what it does.  Here is an alphabetic list of compute styles
 available in LAMMPS.  They are also listed in more compact form on the
 "Commands compute"_Commands_compute.html doc page.
 
-There are also additional compute styles (not listed here) submitted
-by users which are included in the LAMMPS distribution.  The full list
-of all compute styles is on the "Commands
-compute"_Commands_compute.html doc page.
-
 There are also additional accelerated compute styles included in the
 LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
 The individual style names on the "Commands
diff --git a/doc/src/dihedral_style.txt b/doc/src/dihedral_style.txt
index d45d9b488d..2a5b9baf52 100644
--- a/doc/src/dihedral_style.txt
+++ b/doc/src/dihedral_style.txt
@@ -80,10 +80,16 @@ Here is an alphabetic list of dihedral styles defined in LAMMPS.  Click on
 the style to display the formula it computes and coefficients
 specified by the associated "dihedral_coeff"_dihedral_coeff.html command.
 
-Note that there are also additional dihedral styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-dihedral styles is on the "Commands bond"_Commands_bond.html#dihedral
-doc page.
+Click on the style to display the formula it computes, any additional
+arguments specified in the dihedral_style command, and coefficients
+specified by the associated "dihedral_coeff"_dihedral_coeff.html
+command.
+
+There are also additional accelerated pair styles included in the
+LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
+The individual style names on the "Commands
+dihedral"_Commands_bond.html#dihedral doc page are followed by one or
+more of (g,i,k,o,t) to indicate which accelerated styles exist.
 
 "none"_dihedral_none.html - turn off dihedral interactions
 "zero"_dihedral_zero.html - topology but no interactions
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 27cc0467e2..0163ac2863 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -156,10 +156,6 @@ what it does, as listed below.  Here is an alphabetic list of fix
 styles available in LAMMPS.  They are also listed in more compact form
 on the "Commands fix"_Commands_fix.html doc page.
 
-There are also additional fix styles (not listed here) submitted by
-users which are included in the LAMMPS distribution.  The full list of
-all fix styles is on the "Commands fix"_Commands_fix.html doc page.
-
 There are also additional accelerated fix styles included in the
 LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
 The individual style names on the "Commands fix"_Commands_fix.html doc
diff --git a/doc/src/improper_style.txt b/doc/src/improper_style.txt
index f315509fe4..c5e0be8a81 100644
--- a/doc/src/improper_style.txt
+++ b/doc/src/improper_style.txt
@@ -59,10 +59,16 @@ Click on the style to display the formula it computes and coefficients
 specified by the associated "improper_coeff"_improper_coeff.html
 command.
 
-Note that there are also additional improper styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-improper styles is on the "Commands bond"_Commands_bond.html#improper
-doc page.
+Click on the style to display the formula it computes, any additional
+arguments specified in the improper_style command, and coefficients
+specified by the associated "improper_coeff"_improper_coeff.html
+command.
+
+There are also additional accelerated pair styles included in the
+LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
+The individual style names on the "Commands
+improper"_Commands_bond.html#improper doc page are followed by one or
+more of (g,i,k,o,t) to indicate which accelerated styles exist.
 
 "none"_improper_none.html - turn off improper interactions
 "zero"_improper_zero.html - topology but no interactions
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index 14e3f79215..9a5de55ef0 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -85,15 +85,11 @@ Click on the style to display the formula it computes, arguments
 specified in the pair_style command, and coefficients specified by the
 associated "pair_coeff"_pair_coeff.html command.
 
-There are also additional pair styles (not listed here) submitted by
-users which are included in the LAMMPS distribution.  The full list of
-all pair styles is on the "Commands pair"_Commands_pair.html doc page.
-
-There are also additional accelerated pair styles (not listed here)
-included in the LAMMPS distribution for faster performance on CPUs,
-GPUs, and KNLs.  The individual style names on the "Commands
-pair"_Commands_pair.html doc page are followed by one or more of
-(g,i,k,o,t) to indicate which accelerated styles exist.
+There are also additional accelerated pair styles included in the
+LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
+The individual style names on the "Commands pair"_Commands_pair.html
+doc page are followed by one or more of (g,i,k,o,t) to indicate which
+accelerated styles exist.
 
 "none"_pair_none.html - turn off pairwise interactions
 "hybrid"_pair_hybrid.html - multiple styles of pairwise interactions

From 7e5ec96bcdde4bf3735a2c2d006034294d0368d6 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 24 Oct 2018 12:02:36 -0600
Subject: [PATCH 015/273] more tweaks from style check script

---
 doc/src/Commands_fix.txt | 4 ++--
 doc/src/compute.txt      | 1 +
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 4144c7eb90..670f1b0462 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -107,7 +107,7 @@ OPT.
 "nph/asphere (o)"_fix_nph_asphere.html,
 "nph/body"_fix_nph_body.html,
 "nph/eff"_fix_nh_eff.html,
-"nph/sphere (ko)"_fix_nph_sphere.html,
+"nph/sphere (o)"_fix_nph_sphere.html,
 "nphug (o)"_fix_nphug.html,
 "npt (iko)"_fix_nh.html,
 "npt/asphere (o)"_fix_npt_asphere.html,
@@ -127,7 +127,7 @@ OPT.
 "nve/line"_fix_nve_line.html,
 "nve/manifold/rattle"_fix_nve_manifold_rattle.html,
 "nve/noforce"_fix_nve_noforce.html,
-"nve/sphere (o)"_fix_nve_sphere.html,
+"nve/sphere (ko)"_fix_nve_sphere.html,
 "nve/spin"_fix_nve_spin.html,
 "nve/tri"_fix_nve_tri.html,
 "nvk"_fix_nvk.html,
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index c34d6f950b..8d3cf7d2f2 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -171,6 +171,7 @@ compute"_Commands_compute.html doc page are followed by one or more of
 (g,i,k,o,t) to indicate which accelerated styles exist.
 
 "ackland/atom"_compute_ackland_atom.html - 
+"adf"_compute_adf.html - angular distribution function of triples of atoms
 "aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom
 "angle"_compute_angle.html - 
 "angle/local"_compute_angle_local.html - 

From 07f92d225eed98a34262ae0c4528813766f7dd61 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 24 Oct 2018 12:03:51 -0600
Subject: [PATCH 016/273] formatting tweak

---
 doc/src/Run_options.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/Run_options.txt b/doc/src/Run_options.txt
index db5a7baa6e..742d38d456 100644
--- a/doc/src/Run_options.txt
+++ b/doc/src/Run_options.txt
@@ -388,7 +388,7 @@ optional keyword/value settings.
 
 :line
 
-[-restart2dump restartfile {remap} group-ID dumpstyle dumpfile arg1 arg2 ...] :link(restart2dump)
+[-restart2dump restartfile (remap) group-ID dumpstyle dumpfile arg1 arg2 ...] :link(restart2dump)
 
 Convert the restart file into a dump file and immediately exit.  This
 is the same operation as if the following 2-line input script were

From 2c1f420a48c28d0f56951b29b6864ea25eaf4d10 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 24 Oct 2018 13:43:26 -0600
Subject: [PATCH 017/273] more tweaks

---
 doc/src/angle_style.txt | 13 +++++++++----
 doc/src/pair_style.txt  |  6 +++---
 2 files changed, 12 insertions(+), 7 deletions(-)

diff --git a/doc/src/angle_style.txt b/doc/src/angle_style.txt
index a0bc47ba4c..2c3c1f2bd1 100644
--- a/doc/src/angle_style.txt
+++ b/doc/src/angle_style.txt
@@ -57,10 +57,15 @@ Here is an alphabetic list of angle styles defined in LAMMPS.  Click on
 the style to display the formula it computes and coefficients
 specified by the associated "angle_coeff"_angle_coeff.html command.
 
-Note that there are also additional angle styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-angle styles are is on the "Commands bond"_Commands_bond.html#angle
-doc page.
+Click on the style to display the formula it computes, any additional
+arguments specified in the angle_style command, and coefficients
+specified by the associated "angle_coeff"_angle_coeff.html command.
+
+There are also additional accelerated pair styles included in the
+LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
+The individual style names on the "Commands
+angle"_Commands_bond.html#angle doc page are followed by one or more
+of (g,i,k,o,t) to indicate which accelerated styles exist.
 
 "none"_angle_none.html - turn off angle interactions
 "zero"_angle_zero.html - topology but no interactions
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index 9a5de55ef0..5eb810db8f 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -81,9 +81,9 @@ Here is an alphabetic list of pair styles defined in LAMMPS.  They are
 also listed in more compact form on the "Commands
 pair"_Commands_pair.html doc page.
 
-Click on the style to display the formula it computes, arguments
-specified in the pair_style command, and coefficients specified by the
-associated "pair_coeff"_pair_coeff.html command.
+Click on the style to display the formula it computes, any additional
+arguments specified in the pair_style command, and coefficients
+specified by the associated "pair_coeff"_pair_coeff.html command.
 
 There are also additional accelerated pair styles included in the
 LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.

From 2e79d9f340aa2f7bb12b45315f705f49630d366a Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Thu, 25 Oct 2018 21:45:35 +0100
Subject: [PATCH 018/273] Merged Pablo's fixes into the plumed interface for
 lammps

---
 src/USER-PLUMED/fix_plumed.cpp | 161 +++++++++++++++++++++++++++------
 src/USER-PLUMED/fix_plumed.h   |   6 ++
 2 files changed, 139 insertions(+), 28 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 32ff09b8c2..794ab50f82 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -26,7 +26,9 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   nlocal(0),
   gatindex(NULL),
   masses(NULL),
-  charges(NULL)
+  charges(NULL),
+  id_pe(NULL),
+  id_press(NULL)
 {
 // Not sure this is really necessary:
   if (!atom->tag_enable) error->all(FLERR,"fix plumed requires atom tags");
@@ -145,16 +147,48 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   p->cmd("init");
 
 // Define compute to calculate potential energy
-  char *id_pe = (char *) "thermo_pe";
+  id_pe = new char[7];
+  id_pe = (char *) "plmd_pe";
+  char **newarg = new char*[3];
+  newarg[0] = id_pe;
+  newarg[1] = (char *) "all";
+  newarg[2] = (char *) "pe";
+  modify->add_compute(3,newarg);
+  delete [] newarg;
   int ipe = modify->find_compute(id_pe);
   c_pe = modify->compute[ipe];
-  // Trigger computation of potential energy every step
-  c_pe->addstep(update->ntimestep+1);
+
+// Define compute to calculate pressure tensor
+  id_press = new char[9];
+  id_press = (char *) "plmd_press";
+  newarg = new char*[5];
+  newarg[0] = id_press;
+  newarg[1] = (char *) "all";
+  newarg[2] = (char *) "pressure";
+  newarg[3] = (char *) "NULL";
+  newarg[4] = (char *) "virial";
+  modify->add_compute(5,newarg);
+  delete [] newarg;
+  int ipress = modify->find_compute(id_press);
+  c_press = modify->compute[ipress];
+ 
+  // Check if nh type fixes have been called
+  // See comment in the setup method
+  for (int i = 0; i < modify->nfix; i++) {
+    if ( strncmp(modify->fix[i]->style,"nph",3) ||
+         strncmp(modify->fix[i]->style,"nph_sphere",10) ||
+         strncmp(modify->fix[i]->style,"npt",3) ||
+         strncmp(modify->fix[i]->style,"npt_sphere",10) )
+      error->all(FLERR,"Fix plumed must be called before fix_nh derived fixes, "
+                       "for instance nph and npt fixes");
+  }
 }
 
 FixPlumed::~FixPlumed()
 {
   delete p;
+  modify->delete_compute(id_pe);
+  modify->delete_compute(id_press);
 }
 
 int FixPlumed::setmask()
@@ -172,10 +206,22 @@ void FixPlumed::init()
 {
   if (strcmp(update->integrate_style,"respa") == 0)
     nlevels_respa = ((Respa *) update->integrate)->nlevels;
+  // This avoids nan pressure if compute_pressure is called
+  // in a setup method
+  for(int i=0;i<6;i++) virial[i] = 0.;
 }
 
 void FixPlumed::setup(int vflag)
 {
+  // Here there is a crucial issue connected to constant pressure
+  // simulations. The fix_nh will call the compute_pressure inside
+  // the setup method, that is executed once and for all at the 
+  // beginning of the simulation. Since our fix has a contribution 
+  // to the virial, when this happens the variable virial must have
+  // been calculated. In other words, the setup method of fix_plumed
+  // has to be executed first. This creates a race condition with the 
+  // setup method of fix_nh. This is why in the constructor I check if 
+  // nh fixes have already been called.
   if (strcmp(update->integrate_style,"verlet") == 0)
     post_force(vflag);
   else {
@@ -187,6 +233,8 @@ void FixPlumed::setup(int vflag)
 
 void FixPlumed::min_setup(int vflag)
 {
+  // This has to be checked.
+  // For instance it might have problems with fix_box_relax
   post_force(vflag);
 }
 
@@ -248,6 +296,9 @@ void FixPlumed::post_force(int vflag)
   box[2][1]=domain->h[3];
   box[2][0]=domain->h[4];
   box[1][0]=domain->h[5];
+  // Make initial of virial of this fix zero
+  // The following line is very important, otherwise the compute pressure will include 
+  for(int i=0;i<6;++i) virial[i] = 0.;
 
 // local variable with timestep:
   int step=update->ntimestep;
@@ -259,33 +310,87 @@ void FixPlumed::post_force(int vflag)
   p->cmd("setForces",&atom->f[0][0]);
   p->cmd("setMasses",&masses[0]);
   if(atom->q) p->cmd("setCharges",&charges[0]);
-  p->cmd("setVirial",&plmd_virial[0][0]);
   p->cmd("getBias",&bias);
+  // Pass virial to plumed
+  // If energy is needed virial_plmd is equal to Lammps' virial
+  // If energy is not needed virial_plmd is initialized to zero
+  // In the first case the virial will be rescaled and an extra term will be added
+  // In the latter case only an extra term will be added
+  p->cmd("setVirial",&plmd_virial[0][0]);
+  p->cmd("prepareCalc");
 
-// pass the energy
-  double pot_energy = 0.;
-  c_pe->compute_scalar();
-  c_pe->invoked_flag |= INVOKED_SCALAR;
-  pot_energy = c_pe->scalar;
-  int nprocs;
-  // Divide energy by number of processors 
-  // Plumed wants it this way
-  MPI_Comm_size(world,&nprocs);
-  pot_energy /= nprocs;
-  p->cmd("setEnergy",&pot_energy);
-  // Trigger computation of potential energy every step
+  plumedNeedsEnergy=0;
+  p->cmd("isEnergyNeeded",&plumedNeedsEnergy);
+
+  // Pass potential energy and virial if needed
+  double *virial_lmp;
+  if (plumedNeedsEnergy) {
+    // Error if tail corrections are included
+    if (force->pair && force->pair->tail_flag)
+      error->all(FLERR,"Tail corrections to the pair potential included."
+                       " The energy cannot be biased in this case."
+                       " Remove the tail corrections by removing the"
+                       " command: pair_modify tail yes");
+    // compute the potential energy
+    double pot_energy = 0.;
+    c_pe->compute_scalar();
+    pot_energy = c_pe->scalar;
+    // Divide energy by number of processes
+    // Plumed wants it this way
+    int nprocs;
+    MPI_Comm_size(world,&nprocs);
+    pot_energy /= nprocs;
+    p->cmd("setEnergy",&pot_energy);
+    // Compute pressure due to the virial (no kinetic energy term!)
+    c_press->compute_vector();
+    virial_lmp = c_press->vector;
+    // Check if pressure is finite 
+    if (!std::isfinite(virial_lmp[0]) || !std::isfinite(virial_lmp[1]) || !std::isfinite(virial_lmp[2])
+   || !std::isfinite(virial_lmp[3]) || !std::isfinite(virial_lmp[4]) || !std::isfinite(virial_lmp[5]))
+      error->all(FLERR,"Non-numeric virial - Plumed cannot work with that");
+    // Convert pressure to virial per number of MPI processes
+    // From now on all virials are divided by the number of MPI processes
+    double nktv2p = force->nktv2p;
+    double inv_volume;
+    if (domain->dimension == 3) {
+      inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd);
+    } else {
+      inv_volume = 1.0 / (domain->xprd * domain->yprd);
+    }
+    for(int i=0;i<6;i++) virial_lmp[i] /= (inv_volume * nktv2p * nprocs);
+    // Convert virial from lammps to plumed representation
+    plmd_virial[0][0]=-virial_lmp[0];
+    plmd_virial[1][1]=-virial_lmp[1];
+    plmd_virial[2][2]=-virial_lmp[2];
+    plmd_virial[0][1]=-virial_lmp[3];
+    plmd_virial[0][2]=-virial_lmp[4];
+    plmd_virial[1][2]=-virial_lmp[5];
+  } else {
+    virial_lmp = new double[6];
+    for(int i=0;i<6;i++) virial_lmp[i] = 0.;
+  }
+  // do the real calculation:
+  p->cmd("performCalc");
+
+// retransform virial to lammps representation and assign it to this fix's virial.
+// Plumed is giving back the full virial and therefore we have to subtract the
+// initial virial i.e. virial_lmp. 
+// The vector virial contains only the contribution added by plumed
+// The calculation of the pressure will be done by a compute pressure and will
+// include this contribution. 
+  virial[0] = -plmd_virial[0][0]-virial_lmp[0];
+  virial[1] = -plmd_virial[1][1]-virial_lmp[1];
+  virial[2] = -plmd_virial[2][2]-virial_lmp[2];
+  virial[3] = -plmd_virial[0][1]-virial_lmp[3];
+  virial[4] = -plmd_virial[0][2]-virial_lmp[4];
+  virial[5] = -plmd_virial[1][2]-virial_lmp[5];
+
+  // Ask for the computes in the next time step
+  // such that the virial and energy are tallied.
+  // This should be changed to something that triggers the 
+  // calculation only if plumed needs it.
   c_pe->addstep(update->ntimestep+1);
-
-// do the real calculation:
-  p->cmd("calc");
-
-// retransform virial to lammps representation:
-  Fix::virial[0]=-plmd_virial[0][0];
-  Fix::virial[1]=-plmd_virial[1][1];
-  Fix::virial[2]=-plmd_virial[2][2];
-  Fix::virial[3]=-plmd_virial[0][1];
-  Fix::virial[4]=-plmd_virial[0][2];
-  Fix::virial[5]=-plmd_virial[1][2];
+  c_press->addstep(update->ntimestep+1);
 }
 
 void FixPlumed::post_force_respa(int vflag, int ilevel, int iloop)
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index 6bd6d59f39..6b067e1920 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -45,6 +45,12 @@ class FixPlumed : public Fix {
   double bias;
 // Compute for the energy
   class Compute *c_pe; 
+// Compute for the pressure
+  class Compute *c_press; 
+// Flag to trigger calculation of the energy and virial
+  int plumedNeedsEnergy;
+// ID for potential energy and pressure compute
+  char  *id_pe, *id_press;
 };
 
 };

From 4fa78a78deb6175d0bed0abc02e035e164953144 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 26 Oct 2018 22:12:17 +0100
Subject: [PATCH 019/273] Added instructions on PLUMED to build extras and
 Package details pages of manual

---
 doc/src/Build_extras.txt     | 57 ++++++++++++++++++++++++++++++++++++
 doc/src/Packages_details.txt | 28 ++++++++++++++++++
 2 files changed, 85 insertions(+)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index d256a1afc8..e4ab6b9541 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -41,6 +41,7 @@ This is the list of packages that may require additional steps.
 "USER-ATC"_#user-atc,
 "USER-AWPMD"_#user-awpmd,
 "USER-COLVARS"_#user-colvars,
+"USER-PLUMED" _#user-plumed,
 "USER-H5MD"_#user-h5md,
 "USER-INTEL"_#user-intel,
 "USER-MOLFILE"_#user-molfile,
@@ -712,6 +713,62 @@ a corresponding Makefile.lammps.machine file.
 
 :line
 
+USER-PLUMED package :h4,link(user-plumed)
+
+[CMake build]:
+
+[Traditional make]:
+
+Before building LAMMPS with this package, you must first build 
+PLUMED.  We recommending building PLUMED separately to LAMMPS using 
+the instructions that can be found at http://plumed.github.io/doc-master/user-doc/html/_installation.html.
+Before compiling LAMMPS you can then install the fix plumed command
+and compile LAMMPS in the usual manner:
+
+make yes-user-plumed 
+make machine :pre
+
+Once this compilation completes you should be able to run LAMMPS in the usual
+way.  When running LAMMPS with an input script that contains a fix
+plumed command LAMMPS will try to call the PLUMED runtime library.  PLUMED
+must therefore be available in your path if LAMMPS is compiled in this way.
+
+On some machines it is not possible to call runtime libraries in the way described
+above.  When compiling on these machines it is thus better to statically link
+PLUMED when compiling LAMMPS.  To do this you must either download a PLUMED
+tarball from http://www.plumed.org/get-it or clone it using
+git clone https://github.com/plumed/plumed2.git.  If you download the tarball
+unpack it in the /lib/plumed directory.  Similarly if you clone 
+it clone it to the /lib/plumed directory as if there is a version of PLUMED within
+this directory LAMMPS will always try to statically link the version of PLUMED
+that this directory contains instead of dynamically linking the library.
+
+Once you have downloaded PLUMED into /lib/plumed you must again build the code
+here by following the instructions that can be found at
+http://plumed.github.io/doc-master/user-doc/html/_installation.html.
+
+You can statically link PLUMED manually and if you want to access the full
+range of PLUMED functionalities this is what you should do.  If you only want the
+basic range of functionalities, however, (i.e. no user contributed modules) then
+you can download and compile PLUMED in one step from the lammps/src dir, using a
+command like like those below:
+
+make lib-plumed                       # print help message
+make lib-plumed  args="-b"            # download and build the latest stable version of PLUMED
+
+These commands will simply invoke the lib/plumed/Install.py script with
+args specified.  Furthermore, once the script has completed you should
+have a compiled version of PLUMED.  With this built you can install/un-install
+PLUMED and build LAMMPS in the usual manner:
+
+make yes-user-plumed
+make machine :pre
+
+make no-user-plumed
+make machine :pre
+
+:line
+
 USER-H5MD package :h4,link(user-h5md)
 
 To build with this package you must have the HDF5 software package
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 031858e846..87f2493f93 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -1200,6 +1200,34 @@ examples/USER/colvars :ul
 
 :line
 
+USER-PLUMED package :link(USER-PLUMED),h4
+
+[Contents:]
+
+The fix plumed command allows you to use the plugin for molecular
+dynamics PLUMED to analyse and bias your LAMMPS trajectory on the fly.
+In practise PLUMED is called from within the lammps input script by using
+the "fix plumed _fix_plumed.html command.
+
+[Authors:] The PLUMED library is written and maintained by
+Massimilliano Bonomi, Giovanni Bussi, Carlo Camiloni and
+Gareth Tribello. 
+
+[Install:]
+
+This package has "specific installation
+instructions"_Build_extras.html#gpu on the "Build
+extras"_Build_extras.html doc page.
+
+[Supporting info:]
+
+src/USER-PLUMED/README
+lib/plumed/README
+"fix plumed "_fix_plumed.html
+examples/USER/plumed :ul
+
+:line
+
 USER-DIFFRACTION package :link(PKG-USER-DIFFRACTION),h4
 
 [Contents:]

From f70af61b35d97d3e30c322b606e1b7af03cbb9b9 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sun, 28 Oct 2018 09:27:22 +0000
Subject: [PATCH 020/273] Added new version of Plumed wrapper

---
 src/USER-PLUMED/Plumed.cpp | 471 ++-----------------------------------
 1 file changed, 22 insertions(+), 449 deletions(-)

diff --git a/src/USER-PLUMED/Plumed.cpp b/src/USER-PLUMED/Plumed.cpp
index f279c4a0eb..787a178cbd 100644
--- a/src/USER-PLUMED/Plumed.cpp
+++ b/src/USER-PLUMED/Plumed.cpp
@@ -19,453 +19,26 @@
    You should have received a copy of the GNU Lesser General Public License
    along with plumed.  If not, see <http://www.gnu.org/licenses/>.
 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
+
+/*
+  Do not link plumed directly but rather do it at runtime
+*/
+#define __PLUMED_WRAPPER_LINK_RUNTIME 1
+
+/*
+  Make sure the inline C++ interface is not included here.
+  Should not be necessary, but it doesn't hurt.
+*/
+#define __PLUMED_WRAPPER_CXX 0
+
+/*
+  Tell Plumed.h to emit the whole implementation
+*/
+#define __PLUMED_WRAPPER_IMPLEMENTATION 1
+
+/*
+  Emit fortran wrappers
+*/
+#define __PLUMED_WRAPPER_FORTRAN 1
+
 #include "Plumed.h"
-
-#ifdef __PLUMED_HAS_DLOPEN
-#include <dlfcn.h>
-#endif
-#include <stdio.h>
-#include <string.h>
-#include <assert.h>
-#include <stdlib.h>
-#include <limits.h>
-
-/* DECLARATION USED ONLY IN THIS FILE */
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-
-/**
-  Function pointer to plumed_create
-*/
-
-typedef void*(*plumed_create_pointer)(void);
-/**
-  Function pointer to plumed_cmd
-*/
-typedef void(*plumed_cmd_pointer)(void*,const char*,const void*);
-
-/**
-  Function pointer to plumed_finalize
-*/
-typedef void(*plumed_finalize_pointer)(void*);
-
-/**
-   Holder for plumedmain function pointers.
-*/
-typedef struct {
-  plumed_create_pointer create;
-  plumed_cmd_pointer cmd;
-  plumed_finalize_pointer finalize;
-} plumed_plumedmain_function_holder;
-
-/**
-   Holder for plumed symbol table.
-*/
-typedef struct {
-  int version;
-  plumed_plumedmain_function_holder functions;
-} plumed_symbol_table_type;
-
-/**
-  Register for plumedmain function pointers
-*/
-plumed_plumedmain_function_holder* plumed_kernel_register(const plumed_plumedmain_function_holder*);
-
-#ifdef __PLUMED_STATIC_KERNEL
-/* Real interface */
-void*plumed_plumedmain_create(void);
-void plumed_plumedmain_cmd(void*,const char*,const void*);
-void plumed_plumedmain_finalize(void*);
-#else
-/* dummy interface */
-void*plumed_dummy_create(void);
-void plumed_dummy_cmd(void*,const char*,const void*);
-void plumed_dummy_finalize(void*);
-#endif
-
-#ifdef __cplusplus
-}
-#endif
-
-/* END OF DECLARATION USED ONLY IN THIS FILE */
-
-/* These are the dummy routines which are used when plumed is not available */
-
-#ifdef __PLUMED_STATIC_KERNEL
-
-static int installed=1;
-
-#else
-
-static int installed=0;
-
-static int dummy;
-
-void*plumed_dummy_create(void) {
-  return (void*)&dummy;
-}
-
-void plumed_dummy_cmd(void*p,const char*key,const void*val) {
-  (void) p;   /* avoid warning on unused parameter */
-  (void) key; /* avoid warning on unused parameter */
-  (void) val; /* avoid warning on unused parameter */
-  fprintf(stderr,"+++ ERROR: you are trying to use plumed, but it is not available +++\n");
-  fprintf(stderr,"+++ Check your PLUMED_KERNEL environment variable +++\n");
-  exit(1);
-}
-
-void plumed_dummy_finalize(void*p) {
-  (void) p; /* avoid warning on unused parameter */
-}
-
-#endif
-
-plumed_plumedmain_function_holder* plumed_kernel_register(const plumed_plumedmain_function_holder* f) {
-  /*
-    Argument f is present for historical reasons but ignored in PLUMED>=2.5.
-  */
-  if(f) {
-    if(getenv("PLUMED_LOAD_DEBUG")) {
-      fprintf(stderr,"+++ Ignoring registration at %p (%p,%p,%p) +++\n",(void*)f,(void*)f->create,(void*)f->cmd,(void*)f->finalize);
-    }
-  }
-#ifdef __PLUMED_STATIC_KERNEL
-  /*
-    When __PLUMED_STATIC_KERNEL is defined, the function holder is initialized
-    to statically bound plumed_plumedmain_create, plumed_plumedmain_cmd, plumed_plumedmain_finalize and
-    cannot be changed. This saves from mis-set values for PLUMED_KERNEL.
-  */
-  static plumed_plumedmain_function_holder g= {plumed_plumedmain_create,plumed_plumedmain_cmd,plumed_plumedmain_finalize};
-#else
-  /*
-    On the other hand, for runtime binding, we use dlsym to find the relevant functions.
-    Notice that as of PLUMED 2.5 self registration of the kernel is ignored, so argument f
-    is not used anymore.
-    Also notice that we should put some guard here for safe multithread calculations.
-  */
-  static plumed_plumedmain_function_holder g= {plumed_dummy_create,plumed_dummy_cmd,plumed_dummy_finalize};
-  static int first=1;
-#ifdef __PLUMED_HAS_DLOPEN
-  const char* path;
-  char* pathcopy;
-  void* p;
-  char* pc;
-  plumed_symbol_table_type* plumed_symbol_table_ptr;
-  plumed_plumedmain_function_holder functions;
-  char* debug;
-  size_t strlenpath;
-  int dlopenmode;
-  /*
-    f==NULL is required here otherwise we would enter this block a second time
-    when plumed_kernel_register is called by the just loaded shared library.
-  */
-  if(first && f==NULL) {
-    path=getenv("PLUMED_KERNEL");
-    debug=getenv("PLUMED_LOAD_DEBUG");
-#ifdef __PLUMED_DEFAULT_KERNEL
-    /*
-      This variable allows a default path for the kernel to be hardcoded.
-      Can be useful for hardcoding the predefined plumed location
-      still allowing the user to override this choice setting PLUMED_KERNEL.
-      The path should be chosen at compile time adding e.g.
-      -D__PLUMED_DEFAULT_KERNEL=/opt/local/lib/libplumed.dylib
-    */
-    /* This is required to add quotes */
-#define PLUMED_QUOTE_DIRECT(name) #name
-#define PLUMED_QUOTE(macro) PLUMED_QUOTE_DIRECT(macro)
-    if(! (path && (*path) )) path=PLUMED_QUOTE(__PLUMED_DEFAULT_KERNEL);
-#endif
-    if(path && (*path)) {
-      fprintf(stderr,"+++ Loading the PLUMED kernel runtime +++\n");
-      fprintf(stderr,"+++ PLUMED_KERNEL=\"%s\" +++\n",path);
-      if(getenv("PLUMED_LOAD_NAMESPACE") && !strcmp(getenv("PLUMED_LOAD_NAMESPACE"),"LOCAL")) {
-        dlopenmode=RTLD_NOW|RTLD_LOCAL;
-        if(debug) fprintf(stderr,"+++ Loading with mode RTLD_NOW|RTLD_LOCAL +++\n");
-      } else {
-        dlopenmode=RTLD_NOW|RTLD_GLOBAL;
-        if(debug) fprintf(stderr,"+++ Loading with mode RTLD_NOW|RTLD_GLOBAL +++\n");
-      }
-      p=dlopen(path,dlopenmode);
-      if(!p) {
-        /*
-          Something went wrong. We try to remove "Kernel" string from the PLUMED_KERNEL variable
-          and load directly the shared library. Notice that this particular path is only expected
-          to be necessary when using PLUMED<=2.4 and the symbols in the main executable are
-          not visible. All the other cases (either PLUMED>=2.5 or symbols in the main executable visible)
-          should work correctly without entering here.
-        */
-        fprintf(stderr,"+++ An error occurred. Message from dlopen(): %s +++\n",dlerror());
-        strlenpath=strlen(path);
-        pathcopy=(char*) malloc(strlenpath+1);
-        strncpy(pathcopy,path,strlenpath+1);
-        pc=pathcopy+strlenpath-6;
-        while(pc>=pathcopy && memcmp(pc,"Kernel",6)) pc--;
-        if(pc>=pathcopy) {
-          memmove(pc, pc+6, strlen(pc)-5);
-          fprintf(stderr,"+++ Trying %s +++\n",pathcopy);
-          p=dlopen(pathcopy,dlopenmode);
-          if(!p) fprintf(stderr,"+++ An error occurred. Message from dlopen(): %s +++\n",dlerror());
-        }
-        free(pathcopy);
-      }
-      if(p) {
-        functions.create=NULL;
-        functions.cmd=NULL;
-        functions.finalize=NULL;
-      /*
-        If the library was loaded, use dlsym to initialize pointers.
-        Notice that as of PLUMED 2.5 we ignore self registrations.
-        Pointers are searched in the form of a single pointer to a structure, which
-        is the standard way in PLUMED 2.5, as well as using alternative names used in
-        PLUMED 2.0 to 2.4 (e.g. plumedmain_create) and in some intermediate versions between
-        PLUMED 2.4 and 2.5 (e.g. plumed_plumedmain_create). The last chance is probably
-        unnecessary and might be removed at some point.
-      */
-        plumed_symbol_table_ptr=(plumed_symbol_table_type*) dlsym(p,"plumed_symbol_table");
-        if(plumed_symbol_table_ptr) functions=plumed_symbol_table_ptr->functions;
-        if(debug && plumed_symbol_table_ptr) {
-          fprintf(stderr,"+++ plumed_symbol_table version %i found at %p +++\n",plumed_symbol_table_ptr->version,(void*)plumed_symbol_table_ptr);
-          fprintf(stderr,"+++ plumed_function_pointers found at %p (%p,%p,%p) +++\n",(void*)&plumed_symbol_table_ptr->functions,(void*)functions.create,(void*)functions.cmd,(void*)functions.finalize);
-        }
-
-        if(!functions.create) {
-          functions.create=(plumed_create_pointer) dlsym(p,"plumedmain_create");
-          if(debug && functions.create) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_create",(void*)functions.create);
-        }
-        if(!functions.create) {
-          functions.create=(plumed_create_pointer) dlsym(p,"plumed_plumedmain_create");
-          if(debug && functions.create) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_create",(void*)functions.create);
-        }
-
-        if(!functions.cmd) {
-          functions.cmd=(plumed_cmd_pointer) dlsym(p,"plumedmain_cmd");
-          if(debug && functions.cmd) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_cmd",(void*)functions.cmd);
-        }
-        if(!functions.cmd) {
-          functions.cmd=(plumed_cmd_pointer) dlsym(p,"plumed_plumedmain_cmd");
-          if(debug && functions.cmd) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_cmd",(void*)functions.cmd);
-        }
-
-        if(!functions.finalize) {
-          functions.finalize=(plumed_finalize_pointer) dlsym(p,"plumedmain_finalize");
-          if(debug && functions.finalize) fprintf(stderr,"+++ %s found at %p +++\n","plumedmain_finalize",(void*)functions.finalize);
-        }
-        if(!functions.finalize) {
-          functions.finalize=(plumed_finalize_pointer) dlsym(p,"plumed_plumedmain_finalize");
-          if(debug && functions.finalize) fprintf(stderr,"+++ %s found at %p +++\n","plumed_plumedmain_finalize",(void*)functions.finalize);
-        }
-
-        if(functions.create && functions.cmd && functions.finalize) {
-          g=functions;
-          installed=1;
-        } else {
-          if(!functions.create) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_create not found +++\n");
-          if(!functions.cmd) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_cmd not found +++\n");
-          if(!functions.finalize) fprintf(stderr,"+++ pointer to (plumed_)plumedmain_finalize not found +++\n");
-        }
-      }
-    }
-    first=0;
-  }
-#endif
-#endif
-  return &g;
-}
-
-/* C wrappers: */
-
-plumed plumed_create(void) {
-  plumed p;
-  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
-  assert(h);
-  assert(h->create);
-  p.p=(*(h->create))();
-  assert(p.p);
-  return p;
-}
-
-void plumed_cmd(plumed p,const char*key,const void*val) {
-  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
-  assert(p.p);
-  assert(h);
-  assert(h->cmd);
-  (*(h->cmd))(p.p,key,val);
-}
-
-void plumed_finalize(plumed p) {
-  plumed_plumedmain_function_holder*h=plumed_kernel_register(NULL);
-  assert(p.p);
-  assert(h);
-  assert(h->finalize);
-  (*(h->finalize))(p.p);
-  p.p=NULL;
-}
-
-int plumed_installed(void) {
-  plumed_kernel_register(NULL);
-  return installed;
-}
-
-/* we declare a Plumed_g_main object here, in such a way that it is always available */
-
-static plumed gmain= {NULL};
-
-plumed plumed_global(void) {
-  return gmain;
-}
-
-void plumed_gcreate(void) {
-  assert(gmain.p==NULL);
-  gmain=plumed_create();
-}
-
-void plumed_gcmd(const char*key,const void*val) {
-  assert(gmain.p);
-  plumed_cmd(gmain,key,val);
-}
-
-void plumed_gfinalize(void) {
-  assert(gmain.p);
-  plumed_finalize(gmain);
-  gmain.p=NULL;
-}
-
-int plumed_ginitialized(void) {
-  if(gmain.p) return 1;
-  else                return 0;
-}
-
-void plumed_c2f(plumed p,char*c) {
-  unsigned i;
-  unsigned char* cc;
-  /*
-    Convert the address stored in p.p into a proper FORTRAN string
-    made of only ASCII characters. For this to work, the two following
-    assertions should be satisfied:
-  */
-  assert(CHAR_BIT<=12);
-  assert(sizeof(p.p)<=16);
-
-  assert(c);
-  cc=(unsigned char*)&p.p;
-  for(i=0; i<sizeof(p.p); i++) {
-    /*
-      characters will range between '0' (ASCII 48) and 'o' (ASCII 111=48+63)
-    */
-    c[2*i]=cc[i]/64+48;
-    c[2*i+1]=cc[i]%64+48;
-  }
-}
-
-plumed plumed_f2c(const char*c) {
-  plumed p;
-  unsigned i;
-  unsigned char* cc;
-
-  assert(CHAR_BIT<=12);
-  assert(sizeof(p.p)<=16);
-
-  assert(c);
-  cc=(unsigned char*)&p.p;
-  for(i=0; i<sizeof(p.p); i++) {
-    /*
-      perform the reversed transform
-    */
-    cc[i]=(c[2*i]-48)*64 + (c[2*i+1]-48);
-  }
-  return p;
-}
-
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-
-/*
-  Fortran wrappers
-  These are just like the global C wrappers. They are
-  just defined here and not declared in the .h file since they
-  should not be used from c/c++ anyway.
-*/
-
-/*
-  First we assume no name mangling
-*/
-
-void plumed_f_installed(int*i) {
-  assert(i);
-  *i=plumed_installed();
-}
-
-void plumed_f_ginitialized(int*i) {
-  assert(i);
-  *i=plumed_ginitialized();
-}
-
-void plumed_f_gcreate(void) {
-  plumed_gcreate();
-}
-
-void plumed_f_gcmd(char*key,void*val) {
-  plumed_gcmd(key,val);
-}
-
-void plumed_f_gfinalize(void) {
-  plumed_gfinalize();
-}
-
-void plumed_f_create(char*c) {
-  plumed p;
-  p=plumed_create();
-  plumed_c2f(p,c);
-}
-
-void plumed_f_cmd(char*c,char*key,void*val) {
-  plumed p;
-  p=plumed_f2c(c);
-  plumed_cmd(p,key,val);
-}
-
-void plumed_f_finalize(char*c) {
-  plumed p;
-  p=plumed_f2c(c);
-  plumed_finalize(p);
-}
-
-void plumed_f_global(char*c) {
-  plumed_c2f(gmain,c);
-}
-
-/*
-  Then we add wrappers for there functions to cover all
-  the possible fortran mangling schemes, which should be:
-  without underscore, with one underscore and with two underscores
-  lower or upper case
-*/
-
-#define IMPLEMENT(lower,upper,implem) \
-  void lower ##_  implem \
-  void lower ##__ implem \
-  void upper      implem \
-  void upper ##_  implem \
-  void upper ##__ implem
-
-IMPLEMENT(plumed_f_gcreate,     PLUMED_F_GCREATE,     (void) {plumed_f_gcreate();})
-IMPLEMENT(plumed_f_gcmd,        PLUMED_F_GCMD,        (char* key,void* val) {plumed_f_gcmd(key,val);})
-IMPLEMENT(plumed_f_gfinalize,   PLUMED_F_GFINALIZE,   (void) {plumed_f_gfinalize();})
-IMPLEMENT(plumed_f_ginitialized,PLUMED_F_GINITIALIZED,(int*i) {plumed_f_ginitialized(i);})
-IMPLEMENT(plumed_f_create,      PLUMED_F_CREATE,      (char*c) {plumed_f_create(c);})
-IMPLEMENT(plumed_f_cmd,         PLUMED_F_CMD,         (char*c,char* key,void* val) {plumed_f_cmd(c,key,val);})
-IMPLEMENT(plumed_f_finalize,    PLUMED_F_FINALIZE,    (char*c) {plumed_f_finalize(c);})
-IMPLEMENT(plumed_f_installed,   PLUMED_F_INSTALLED,   (int*i) {plumed_f_installed(i);})
-IMPLEMENT(plumed_f_global,      PLUMED_F_GLOBAL,      (char*c) {plumed_f_global(c);})
-
-#ifdef __cplusplus
-}
-#endif
-
-
-
-

From 174b180a4166625197ecc8bddfa718d06aa6cb0a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 18:12:02 -0400
Subject: [PATCH 021/273] remove file that is not present

---
 src/.gitignore | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/.gitignore b/src/.gitignore
index 641c4d5499..9a4871d250 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -63,7 +63,6 @@
 /fix_plumed.h
 /Plumed.cpp
 /Plumed.h
-/Plumed.inc
 /dump_molfile.cpp
 /dump_molfile.h
 /molfile_interface.cpp

From a60b6d1ab8a5be3560a4b4361540bcc442bd4bec Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 18:12:32 -0400
Subject: [PATCH 022/273] add feature to python lib install script to support
 existing installation and use links

---
 lib/plumed/Install.py | 56 ++++++++++++++++++++++++++++++-------------
 1 file changed, 39 insertions(+), 17 deletions(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 86e7cb7522..438516b0b6 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -13,15 +13,18 @@ Syntax from src dir: make lib-plumed args="-b"
                  or: make lib-plumed args="-b -v 2.4.2"
 Syntax from lib dir: python Install.py -b -v 2.4.2
                  or: python Install.py -b
+                 or: python Install.py -p /usr/local/plumed-2.4.2
 
 specify one or more options, order does not matter
 
   -b = download and build the plumed2 library
-  -v = set version of Voro++ to download and build (default: latest stable version)
+  -p = specify folder of existing plumed2 installation
+  -v = set version of plumed2 to download and build (default: 2.4.2)
 
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
+make lib-plumed args="-p $HOME/plumed-2.4.2" # use existing Plumed2 installation in $HOME/plumed-2.4.2
 """
 
 # settings
@@ -93,6 +96,7 @@ if nargs == 0: error()
 homepath = "."
 
 buildflag = False
+pathflag = False
 suffixflag = False
 linkflag = True
 
@@ -102,6 +106,11 @@ while iarg < nargs:
     if iarg+2 > nargs: error()
     version = args[iarg+1]
     iarg += 2
+  elif args[iarg] == "-p":
+    if iarg+2 > nargs: error()
+    plumedpath = fullpath(args[iarg+1])
+    pathflag = True
+    iarg += 2
   elif args[iarg] == "-b":
     buildflag = True
     iarg += 1
@@ -109,7 +118,17 @@ while iarg < nargs:
 
 homepath = fullpath(homepath)
 
-# download and unpack plumed  tarball
+if (pathflag):
+    if not os.path.isdir(plumedpath): error("Plumed2 path does not exist")
+    homedir = plumedpath
+
+if (buildflag and pathflag):
+    error("Cannot use -b and -p flag at the same time")
+
+if (not buildflag and not pathflag):
+    error("Have to use either -b or -p flag")
+
+# download and unpack plumed2 tarball
 
 if buildflag:
   url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
@@ -118,8 +137,11 @@ if buildflag:
   geturl(url,filename) 
 
   print("Unpacking plumed tarball ...")
-  if os.path.exists("%s/%s" % (homepath,version)):
-    cmd = 'rm -rf "%s/%s"' % (homepath,version)
+  if os.path.exists("%s/plumed2-%s" % (homepath,version)):
+    cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  if os.path.exists("%s/plumed2" % (homepath)):
+    cmd = 'rm -rf "%s/plumed2"' % (homepath)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath,version)
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
@@ -129,19 +151,19 @@ if buildflag:
  
 if buildflag:
    print("Building plumed ...")
-   cmd = 'cd %s/plumed2-%s; ./configure ; make' % (homepath,version)
+   cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 ; make ; make install' % (homepath,version,homepath)
    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
    print(txt.decode('UTF-8'))
 # 
-# # create 2 links in lib/voronoi to Voro++ src dir
-# 
-# if linkflag:
-#   print("Creating links to Voro++ include and lib files")
-#   if os.path.isfile("includelink") or os.path.islink("includelink"):
-#     os.remove("includelink")
-#   if os.path.isfile("liblink") or os.path.islink("liblink"):
-#     os.remove("liblink")
-#   cmd = 'ln -s "%s/src" includelink' % homedir
-#   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-#   cmd = 'ln -s "%s/src" liblink' % homedir
-#   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+# create 2 links in lib/plumed to plumed2 installation dir
+
+if linkflag:
+  print("Creating links to plumed2 include and lib files")
+  if os.path.isfile("includelink") or os.path.islink("includelink"):
+    os.remove("includelink")
+  if os.path.isfile("liblink") or os.path.islink("liblink"):
+    os.remove("liblink")
+  cmd = 'ln -s "%s/plumed2/include" includelink' % homepath
+  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  cmd = 'ln -s "%s/plumed2/lib" liblink' % homepath
+  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

From 3cc938448818239ec94666ea76780d0c4e709b57 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Sun, 28 Oct 2018 16:23:29 -0600
Subject: [PATCH 023/273] cmake: add support USER-PLUMED

---
 cmake/CMakeLists.txt | 26 ++++++++++++++++++++++++--
 1 file changed, 24 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index b3c0a70e4a..ebcd34f966 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -171,8 +171,9 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
   USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS USER-DIFFRACTION
   USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD
   USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
-  USER-PHONON USER-PTM USER-QTB USER-REAXC USER-SCAFACOS USER-SMD USER-SMTBQ
-  USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
+  USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC USER-SCAFACOS
+  USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP
+  USER-QMMM)
 set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
 set(OTHER_PACKAGES CORESHELL QEQ)
 foreach(PKG ${DEFAULT_PACKAGES})
@@ -526,6 +527,27 @@ if(PKG_USER-SCAFACOS)
   include_directories(${SCAFACOS_INCLUDE_DIRS})
 endif()
 
+if(PKG_USER-PLUMED)
+  option(DOWNLOAD_PLUMED "Download Plumed (instead of using the system's one)" OFF)
+  if(DOWNLOAD_PLUMED)
+    include(ExternalProject)
+    ExternalProject_Add(plumed_build
+      URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-2.4.3.tgz 
+      URL_MD5 bed9c88c8c635b269c1cd4a0598a2934
+      BUILD_IN_SOURCE 1
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> 
+                                               $<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic>                                                  )
+    ExternalProject_get_property(plumed_build INSTALL_DIR)
+    set(PLUMED_BUILD_DIR ${INSTALL_DIR})
+    list(APPEND LAMMPS_DEPS plumed_build)
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_BUILD_DIR}/lib/libplumed.so)
+  else()
+    find_package(PkgConfig REQUIRED)
+    pkg_check_modules(PLUMED plumed REQUIRED)
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
+  endif()
+endif()
+
 if(PKG_USER-MOLFILE)
   add_library(molfile INTERFACE)
   target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)

From bfbf5695fd2f104af78b33f847d7601bc18989e3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:30:37 -0400
Subject: [PATCH 024/273] adjust path for includelink to find the Plumed.h
 wrapper properly

---
 lib/plumed/Install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 438516b0b6..eab78a5b4a 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -163,7 +163,7 @@ if linkflag:
     os.remove("includelink")
   if os.path.isfile("liblink") or os.path.islink("liblink"):
     os.remove("liblink")
-  cmd = 'ln -s "%s/plumed2/include" includelink' % homepath
+  cmd = 'ln -s "%s/plumed2/include/plumed/wrapper" includelink' % homepath
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   cmd = 'ln -s "%s/plumed2/lib" liblink' % homepath
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

From bdf37649057de199bba3d557acba95815a16d1aa Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:31:40 -0400
Subject: [PATCH 025/273] update user-plumed Install.sh file to fit better into
 LAMMPS, adjust to changes in lib folder

---
 src/USER-PLUMED/Install.sh | 31 ++++++++++---------------------
 1 file changed, 10 insertions(+), 21 deletions(-)

diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index 0b8e9e6c9a..20215e4c99 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -4,29 +4,27 @@
 if (test $1 = 1) then
 
   if (test -e ../Makefile.package) then
-    sed -i -e 's|^PKG_LIB =[ \t]*|& $(PLUMED_LOAD) |' ../Makefile.package
-    if ( ! test -e ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static ) then
+    sed -i -e 's|^PKG_LIB =[ \t]*|& -lplumedWrapper -ldl |' ../Makefile.package
+    if ( ! test -e ../../lib/plumed/liblink/plumed/src/lib/Plumed.inc.static ) then
         sed -i -e 's|^PKG_SYSINC =[ \t]*|& -D__PLUMED_HAS_DLOPEN |' ../Makefile.package
     fi
+    sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/plumed/includelink |' ../Makefile.package
+    sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/plumed/liblink |' ../Makefile.package
   fi
 
   if (test -e ../Makefile.package.settings) then
     # This is for statically linking plumed2
-    if ( test -e ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static ) then  
-       fname=`ls ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static` 
+    if ( test -e ../../lib/plumed/liblink/src/lib/Plumed.inc.static ) then  
+       fname=../../lib/plumed/liblink/src/lib/Plumed.inc.static 
        sed -i -e '4 i \
 include '$fname'
 ' ../Makefile.package.settings
-       dname=`ls ../../lib/plumed/plumed2*/src/wrapper/Plumed.h`
-       ln -s USER-PLUMED/$dname ../Plumed.h
     # This is for linking plumed2 as a runtime library  -- this is the default behavior
     else 
     # multiline form needed for BSD sed on Macs
        sed -i -e '4 i \
 PLUMED_LOAD=-ldl
 ' ../Makefile.package.settings
-       cp Plumed.h ..
-       cp Plumed.cpp ..
     fi
   fi
 
@@ -36,21 +34,12 @@ PLUMED_LOAD=-ldl
 elif (test $1 = 0) then
 
   if (test -e ../Makefile.package) then
-    sed -i -e 's/[^ \t]* \$(PLUMED_LOAD)[^ \t]* //' ../Makefile.package
-    sed -i -e 's/[^ \t]* -D__PLUMED_HAS_DLOPEN[^ \t]* //' ../Makefile.package
-  fi
-
-  if (test -e ../Makefile.package.settings) then
-    fname=`ls ../../lib/plumed/plumed2*/src/lib/Plumed.inc.static`
-    sed -i -e "\:include $fname: d" ../Makefile.package.settings 
-    sed -i -e '/PLUMED_LOAD=-ldl/d' ../Makefile.package.settings
+    sed -i -e 's/[^ \t]*-lplumedWrapper -ldl[^ \t]* //' ../Makefile.package
+    sed -i -e 's/[^ \t]*-D__PLUMED_HAS_DLOPEN[^ \t]* //' ../Makefile.package
+    sed -i -e 's|[^ \t]*-I../../lib/plumed/includelink[^ \t]* ||' ../Makefile.package
+    sed -i -e 's|[^ \t]*-L../../lib/plumed/liblink[^ \t]* ||' ../Makefile.package
   fi
 
   rm -f ../fix_plumed.cpp
   rm -f ../fix_plumed.h
-  rm -f ../Plumed.h
-  if ( test -e ../Plumed.h ) then
-       rm -f ../Plumed.cpp
-  fi
-
 fi

From 925d6d37b9d3be6c2b95255657feb3d1bf18bd7c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:32:01 -0400
Subject: [PATCH 026/273] adjust header inclusion to current LAMMPS conventions

---
 src/USER-PLUMED/fix_plumed.cpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 794ab50f82..1b05477e38 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -1,6 +1,8 @@
-#include "math.h"
-#include "stdlib.h"
-#include "string.h"
+
+#include <cmath>
+#include <cstdlib>
+#include <cstring>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"

From ae499b980dc12c6ee1e3da0a9ecc48db541ab9c3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:32:47 -0400
Subject: [PATCH 027/273] make Plumed.cpp obsolete in USER-PLUMED code by
 inserting it into fix_plumed.cpp

---
 src/USER-PLUMED/fix_plumed.cpp | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 1b05477e38..00a899724b 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -16,6 +16,29 @@
 #include "modify.h"
 #include "pair.h"
 
+/*
+  Do not link plumed directly but rather do it at runtime
+*/
+#define __PLUMED_WRAPPER_LINK_RUNTIME 1
+
+/*
+  Make sure the inline C++ interface is not included here.
+  Should not be necessary, but it doesn't hurt.
+*/
+#define __PLUMED_WRAPPER_CXX 0
+
+/*
+  Tell Plumed.h to emit the whole implementation
+*/
+#define __PLUMED_WRAPPER_IMPLEMENTATION 1
+
+/*
+  Emit fortran wrappers
+*/
+#define __PLUMED_WRAPPER_FORTRAN 1
+
+#include "Plumed.h"
+
 using namespace LAMMPS_NS;
 using namespace PLMD;
 using namespace FixConst;

From 54d728c0c7a09cc562555e708a2d8d0db0d06904 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:33:06 -0400
Subject: [PATCH 028/273] reduce need for include files by adding forward
 declaration

---
 src/USER-PLUMED/fix_plumed.h | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index 6b067e1920..d4bc037024 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -9,9 +9,11 @@ FixStyle(plumed,FixPlumed)
 #define LMP_FIX_PLUMED_H
 
 #include "fix.h"
-#include "compute.h"
-// the plumed header that defines the class//
-#include "Plumed.h"
+
+// forward declaration
+namespace PLMD {
+  class Plumed;
+}
 
 namespace LAMMPS_NS {
 
@@ -30,15 +32,15 @@ class FixPlumed : public Fix {
 
  private:
 // pointer to plumed object:
-  PLMD::Plumed*p;
+  PLMD::Plumed *p;
 // number of atoms local to this process:
   int nlocal;
 // array of atom indexes local to this process:
-  int*gatindex;
+  int *gatindex;
 // array of masses for local atoms:
-  double*masses;
+  double *masses;
 // array of charges for local atoms:
-  double*charges;
+  double *charges;
 // this is something to enable respa
   int nlevels_respa;
 // output bias potential

From 3a082e227e4237ae2161b82e74e1800358bdeefa Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:33:51 -0400
Subject: [PATCH 029/273] remove obsolete and redundant files

---
 src/USER-PLUMED/Plumed.cpp |  44 ---
 src/USER-PLUMED/Plumed.h   | 577 -------------------------------------
 2 files changed, 621 deletions(-)
 delete mode 100644 src/USER-PLUMED/Plumed.cpp
 delete mode 100644 src/USER-PLUMED/Plumed.h

diff --git a/src/USER-PLUMED/Plumed.cpp b/src/USER-PLUMED/Plumed.cpp
deleted file mode 100644
index 787a178cbd..0000000000
--- a/src/USER-PLUMED/Plumed.cpp
+++ /dev/null
@@ -1,44 +0,0 @@
-/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-   Copyright (c) 2011-2018 The plumed team
-   (see the PEOPLE file at the root of the distribution for a list of names)
-
-   See http://www.plumed.org for more information.
-
-   This file is part of plumed, version 2.
-
-   plumed is free software: you can redistribute it and/or modify
-   it under the terms of the GNU Lesser General Public License as published by
-   the Free Software Foundation, either version 3 of the License, or
-   (at your option) any later version.
-
-   plumed is distributed in the hope that it will be useful,
-   but WITHOUT ANY WARRANTY; without even the implied warranty of
-   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-   GNU Lesser General Public License for more details.
-
-   You should have received a copy of the GNU Lesser General Public License
-   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
-+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
-
-/*
-  Do not link plumed directly but rather do it at runtime
-*/
-#define __PLUMED_WRAPPER_LINK_RUNTIME 1
-
-/*
-  Make sure the inline C++ interface is not included here.
-  Should not be necessary, but it doesn't hurt.
-*/
-#define __PLUMED_WRAPPER_CXX 0
-
-/*
-  Tell Plumed.h to emit the whole implementation
-*/
-#define __PLUMED_WRAPPER_IMPLEMENTATION 1
-
-/*
-  Emit fortran wrappers
-*/
-#define __PLUMED_WRAPPER_FORTRAN 1
-
-#include "Plumed.h"
diff --git a/src/USER-PLUMED/Plumed.h b/src/USER-PLUMED/Plumed.h
deleted file mode 100644
index 826bed4af6..0000000000
--- a/src/USER-PLUMED/Plumed.h
+++ /dev/null
@@ -1,577 +0,0 @@
-/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-   Copyright (c) 2011-2018 The plumed team
-   (see the PEOPLE file at the root of the distribution for a list of names)
-
-   See http://www.plumed.org for more information.
-
-   This file is part of plumed, version 2.
-
-   plumed is free software: you can redistribute it and/or modify
-   it under the terms of the GNU Lesser General Public License as published by
-   the Free Software Foundation, either version 3 of the License, or
-   (at your option) any later version.
-
-   plumed is distributed in the hope that it will be useful,
-   but WITHOUT ANY WARRANTY; without even the implied warranty of
-   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-   GNU Lesser General Public License for more details.
-
-   You should have received a copy of the GNU Lesser General Public License
-   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
-+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
-#ifndef __PLUMED_wrapper_Plumed_h
-#define __PLUMED_wrapper_Plumed_h
-
-/**
-\page ReferencePlumedH Reference for interfacing MD codes with PLUMED
-
-  Plumed.h and Plumed.c contain the external plumed interface, which is used to
-  integrate it with MD engines. This interface is very general, and is expected
-  not to change across plumed versions. Plumed.c also implements a dummy version
-  of the interface, so as to allow a code to be fully linked even if the plumed
-  library is not available yet. These files could be directly included in the official
-  host MD distribution. In this manner, it will be sufficient to link the plumed
-  library at link time (on all systems) or directly at runtime (on system where
-  dynamic loading is enabled) to include plumed features.
-
-  Why is Plumed.c written in C and not C++? The reason is that the resulting Plumed.o
-  needs to be linked with the host MD code immediately (whereas the rest of plumed
-  could be linked a posteriori). Imagine the MD code is written in FORTRAN: when we
-  link the Plumed.o file we would like not to need any C++ library linked. In this
-  manner, we do not need to know which C++ compiler will be used to compile plumed.
-  The C++ library is only linked to the "rest" of plumed, which actually use it.
-  Anyway, Plumed.c is written in such a manner to allow its compilation also in C++
-  (C++ is a bit stricter than C; compatibility is checked when PlumedStatic.cpp,
-  which basically includes Plumed.c, is compiled with the C++ compiler). This will
-  allow e.g. MD codes written in C++ to just incorporate Plumed.c (maybe renamed into
-  Plumed.cpp), without the need of configuring a plain C compiler.
-
-  Plumed interface can be used from C, C++ and FORTRAN. Everything concerning plumed
-  is hidden inside a single object type, which is described in C by a structure
-  (struct \ref plumed), in C++ by a class (PLMD::Plumed) and in FORTRAN by a
-  fixed-length string (CHARACTER(LEN=32)). Obviously C++ can use both struct
-  and class interfaces, but the first should be preferred. The reference interface
-  is the C one, whereas FORTRAN and C++ interfaces are implemented as wrappers
-  around it.
-
-  In the C++ interface, all the routines are implemented as methods of PLMD::Plumed.
-  In the C and FORTRAN interfaces, all the routines are named plumed_*, to
-  avoid potential name clashes. Notice that the entire plumed library
-  is implemented in C++, and it is hidden inside the PLMD namespace.
-  If the used C++ compiler supports C++11, PLMD::Plumed object defines move semantics
-  so as to be usable in STL containers. That is, you can declare a std::vector<PLMD::Plumed>.
-
-  Handlers to the plumed object can be converted among different representations,
-  to allow inter-operability among languages. In C, there are tools to convert
-  to/from FORTRAN, whereas in C++ there are tools to convert to/from FORTRAN and C.
-
-  These handlers only contain a pointer to the real structure, so that
-  when a plumed object is brought from one language to another,
-  it brings a reference to the same environment.
-
-  Moreover, to simplify life in all cases where a single Plumed object is
-  required for the entire simulation (which covers most of the practical
-  applications with conventional MD codes) it is possible to take advantage
-  of a global interface, which is implicitly referring to a unique global instance.
-  The global object should still be initialized and finalized properly.
-
-  The basic method to send a message to plumed is
-\verbatim
-  (C) plumed_cmd
-  (C++) PLMD::Plumed::cmd
-  (FORTRAN)  PLUMED_F_CMD
-\endverbatim
-
-  To initialize a plumed object, use:
-\verbatim
-  (C)        plumed_create
-  (C++)      (constructor of PLMD::Plumed)
-  (FORTRAN)  PLUMED_F_CREATE
-\endverbatim
-
-  To finalize it, use
-\verbatim
-  (C)        plumed_finalize
-  (C++)      (destructor of PLMD::Plumed)
-  (FORTRAN)  PLUMED_F_FINALIZE
-\endverbatim
-
-  To access to the global-object, use
-\verbatim
-  (C)        plumed_gcreate, plumed_gfinalize, plumed_gcmd
-  (C++)      PLMD::Plumed::gcreate, PLMD::Plumed::gfinalize, PLMD::Plumed::gcmd
-  (FORTRAN)  PLUMED_F_GCREATE, PLUMED_F_GFINALIZE, PLUMED_F_GCMD
-\endverbatim
-
-  To check if the global object has been initialized, use
-\verbatim
-  (C)        plumed_ginitialized
-  (C++)      PLMD::Plumed::ginitialized
-  (FORTRAN)  PLUMED_F_GINITIALIZED
-\endverbatim
-
-  To check if plumed library is available (this is useful for runtime linking), use
-\verbatim
-  (C)        plumed_installed
-  (C++)      PLMD::Plumed::installed
-  (FORTRAN)  PLUMED_F_INSTALLED
-\endverbatim
-
-  To convert handlers use
-\verbatim
-  (C)        plumed_c2f                 (C to FORTRAN)
-  (C)        plumed_f2c                 (FORTRAN to C)
-  (C++)      Plumed(plumed) constructor (C to C++)
-  (C++)      operator plumed() cast     (C++ to C)
-  (C++)      Plumed(char*)  constructor (FORTRAN to C++)
-  (C++)      toFortran(char*)           (C++ to FORTRAN)
-\endverbatim
-
-\verbatim
-  FORTRAN interface
-    SUBROUTINE PLUMED_F_INSTALLED(i)
-      INTEGER,           INTENT(OUT)   :: i
-    SUBROUTINE PLUMED_F_GINITIALIZED(i)
-      INTEGER,           INTENT(OUT)   :: i
-    SUBROUTINE PLUMED_F_GCREATE()
-    SUBROUTINE PLUMED_F_GCMD(key,val)
-      CHARACTER(LEN=*), INTENT(IN)     :: key
-      UNSPECIFIED_TYPE, INTENT(INOUT)  :: val(*)
-    SUBROUTINE PLUMED_F_GFINALIZE()
-    SUBROUTINE PLUMED_F_GLOBAL(p)
-      CHARACTER(LEN=32), INTENT(OUT)   :: p
-    SUBROUTINE PLUMED_F_CREATE(p)
-      CHARACTER(LEN=32), INTENT(OUT)   :: p
-    SUBROUTINE PLUMED_F_CMD(p,key,val)
-      CHARACTER(LEN=32), INTENT(IN)    :: p
-      CHARACTER(LEN=*),  INTENT(IN)    :: key
-      UNSPECIFIED_TYPE,  INTENT(INOUT) :: val(*)
-    SUBROUTINE PLUMED_F_FINALIZE(p)
-      CHARACTER(LEN=32), INTENT(IN)    :: p
-\endverbatim
-
-  The main routine is "cmd", which accepts two arguments:
-  key is a string containing the name of the command
-  val is the argument. it is declared const so as to use allow passing const objects, but in practice plumed
-      is going to modify val in several cases (using a const_cast).
-  In some cases val can be omitted: just pass a NULL pointer (in C++, val is optional and can be omitted).
-  The set of possible keys is the real API of the plumed library, and will be expanded with time.
-  New commands will be added, but backward compatibility will be retained as long as possible.
-
-  To pass plumed a callback function use the following syntax (not available in FORTRAN yet)
-\verbatim
-    plumed_function_holder ff;
-    ff.p=your_function;
-    plumed_cmd(plumed,"xxxx",&ff);
-\endverbatim
-  (this is passing the your_function() function to the "xxxx" command)
-*/
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-
-/* Generic function pointer */
-typedef void (*plumed_function_pointer)(void);
-
-/**
-  \brief Holder for function pointer.
-
-  To pass plumed a callback function use the following syntax:
-\verbatim
-    plumed_function_holder ff;
-    ff.p=your_function;
-    plumed_cmd(plumed,"xxxx",&ff);
-\endverbatim
-  (this is going to pass the your_function() function to the "xxxx" command)
-*/
-
-typedef struct {
-  plumed_function_pointer p;
-} plumed_function_holder;
-
-/**
-  \brief Main plumed object
-
-  This is an object containing a Plumed instance, which should be used in
-  the MD engine. It should first be initialized with plumed_create(),
-  then it communicates with the MD engine using plumed_cmd(). Finally,
-  before the termination, it should be deallocated with plumed_finalize().
-  Its interface is very simple and general, and is expected
-  not to change across plumed versions. See \ref ReferencePlumedH.
-*/
-typedef struct {
-  /**
-    \private
-    \brief Void pointer holding the real PlumedMain structure
-  */
-  void*p;
-} plumed;
-
-/** \relates plumed
-    \brief Constructor
-
-    \return The constructed plumed object
-*/
-plumed plumed_create(void);
-
-/** \relates plumed
-    \brief Tells p to execute a command
-
-    \param p The plumed object on which command is acting
-    \param key The name of the command to be executed
-    \param val The argument. It is declared as const to allow calls like plumed_cmd(p,"A","B"),
-               but for some choice of key it can change the content
-*/
-void plumed_cmd(plumed p,const char*key,const void*val);
-
-/** \relates plumed
-    \brief Destructor
-
-    \param p The plumed object to be deallocated
-*/
-void plumed_finalize(plumed p);
-
-/** \relates plumed
-    \brief Check if plumed is installed (for runtime binding)
-
-    \return 1 if plumed is installed, 0 otherwise
-*/
-int plumed_installed(void);
-
-/** \relates plumed
-    \brief Retrieves an handler to the global structure.
-*/
-plumed plumed_global(void);
-
-/** \relates plumed
-    \brief Check if the global interface has been initialized
-
-    \return 1 if plumed has been initialized, 0 otherwise
-*/
-int plumed_ginitialized(void);
-
-/* global C interface, working on a global object */
-
-/** \relates plumed
-    \brief Constructor for the global interface.
-
-    \note Equivalent to plumed_create(), but initialize the static global plumed object
-*/
-void plumed_gcreate(void);
-
-/** \relates plumed
-    \brief Tells to the global interface to execute a command.
-
-    \param key The name of the command to be executed
-    \param val The argument. It is declared as const to allow calls like plumed_gcmd("A","B"),
-               but for some choice of key it can change the content
-
-    \note Equivalent to plumed_cmd(), but acting on the global plumed object.
-          It thus does not require the plumed object to be specified.
-*/
-void plumed_gcmd(const char* key,const void* val);
-
-/** \relates plumed
-    \brief Destructor for the global interface.
-
-    \note Equivalent to plumed_finalize(), but acting on the global plumed object.
-          It thus does not require the plumed object to be specified.
-*/
-void plumed_gfinalize(void);
-
-/* routines to convert char handler from/to plumed objects */
-
-/** \related plumed
-    \brief Converts a C handler to a FORTRAN handler
-
-    \param p The C handler
-    \param c The FORTRAN handler (a char[32])
-
-    This function can be used to convert a plumed object created in C to
-    a plumed handler that can be used in FORTRAN.
-\verbatim
-#include <plumed/wrapper/Plumed.h>
-int main(int argc,char*argv[]){
-  plumed p;
-  p=plumed_create();
-  char fortran_handler[32];
-  plumed_c2f(p,fortran_handler);
-  printf("DEBUG: this is a string representation for the plumed handler: %s\n",fortran_handler);
-  fortran_routine(fortran_handler);
-  plumed_finalize(p);
-  return 0;
-}
-\endverbatim
-  Here `fortran_routine` is a routine implemented in FORTRAN that manipulates the
-  fortran_handler.
-*/
-void   plumed_c2f(plumed p,char* c);
-
-/** \related plumed
-    \brief Converts a FORTRAN handler to a C handler
-    \param c The FORTRAN handler (a char[32])
-    \return The C handler
-
-    This function can be used to convert a plumed object created in FORTRAN
-    to a plumed handler that can be used in C.
-\verbatim
-void c_routine(char handler[32]){
-  plumed p;
-  p=plumed_f2c(handler);
-  plumed_cmd(p,"init",NULL);
-}
-\endverbatim
-  Here `c_routine` is a C function that can be called from FORTRAN
-  and interact with the provided plumed handler.
-*/
-plumed plumed_f2c(const char* c);
-
-#ifdef __cplusplus
-}
-#endif
-
-#ifdef __cplusplus
-
-/* this is to include the NULL pointer */
-#include <cstdlib>
-
-/* C++ interface is hidden in PLMD namespace (same as plumed library) */
-namespace PLMD {
-
-/**
-  C++ wrapper for \ref plumed.
-
-  This class provides a C++ interface to PLUMED.
-*/
-
-class Plumed {
-  /**
-    C structure.
-  */
-  plumed main;
-  /**
-     keeps track if the object was created from scratch using
-     the defaults destructor (reference=false) or if it was imported
-     from C or FORTRAN (reference=true). In the latter case, the
-     plumed_finalize() method is not called when destructing the object,
-     since it is expected to be finalized in the C/FORTRAN code
-  */
-  bool reference;
-public:
-  /**
-     Check if plumed is installed (for runtime binding)
-     \return true if plumed is installed, false otherwise
-     \note Equivalent to plumed_installed() but returns a bool
-  */
-  static bool installed();
-  /**
-     Check if global-plumed has been initialized
-     \return true if global plumed object (see global()) is initialized (i.e. if gcreate() has been
-             called), false otherwise.
-     \note Equivalent to plumed_ginitialized() but returns a bool
-  */
-  static bool ginitialized();
-  /**
-     Initialize global-plumed.
-     \note Equivalent to plumed_gcreate()
-  */
-  static void gcreate();
-  /**
-     Send a command to global-plumed
-      \param key The name of the command to be executed
-      \param val The argument. It is declared as const to allow calls like gcmd("A","B"),
-                 but for some choice of key it can change the content
-     \note Equivalent to plumed_gcmd()
-  */
-  static void gcmd(const char* key,const void* val);
-  /**
-     Finalize global-plumed
-  */
-  static void gfinalize();
-  /**
-     Returns the Plumed global object
-     \return The Plumed global object
-  */
-  static Plumed global();
-  /**
-     Constructor.
-    \note Performs the same task a plumed_create()
-  */
-  Plumed();
-  /**
-     Clone a Plumed object from a FORTRAN char* handler
-     \param c The FORTRAN handler (a char[32]).
-
-   \attention The Plumed object created in this manner
-              will not finalize the corresponding plumed structure.
-              It is expected that the FORTRAN code calls plumed_c_finalize for it
-  */
-// to have maximum portability of this file I do not use the explicit keyword here
-// I thus add a suppress command for cppcheck
-// cppcheck-suppress noExplicitConstructor
-  Plumed(const char*c);
-  /**
-     Clone a Plumed object from a C plumed structure
-     \param p The C plumed structure.
-
-   \attention The Plumed object created in this manner
-              will not finalize the corresponding plumed structure.
-              It is expected that the C code calls plumed_finalize for it
-  */
-// to have maximum portability of this file I do not use the explicit keyword here
-// I thus add a suppress command for cppcheck
-// cppcheck-suppress noExplicitConstructor
-  Plumed(plumed p);
-private:
-  /** Copy constructor is disabled (private and unimplemented)
-    The problem here is that after copying it will not be clear who is
-    going to finalize the corresponding plumed structure.
-  */
-  Plumed(const Plumed&);
-  /** Assignment operator is disabled (private and unimplemented)
-    The problem here is that after copying it will not be clear who is
-    going to finalize the corresponding plumed structure.
-  */
-  Plumed&operator=(const Plumed&);
-public:
-  /*
-    PLUMED 2.4 requires a C++11 compiler.
-    Anyway, since Plumed.h file might be redistributed with other codes
-    and it should be possible to combine it with earlier PLUMED versions,
-    we here explicitly check if C+11 is available before enabling move semantics.
-    This could still create problems if a compiler 'cheats', setting  __cplusplus > 199711L
-    but not supporting move semantics. Hopefully will not happen!
-  */
-#if __cplusplus > 199711L
-  /** Move constructor.
-    Only if move semantics is enabled.
-    It allows storing PLMD::Plumed objects in STL containers.
-  */
-  Plumed(Plumed&&);
-  /** Move assignment.
-    Only if move semantics is enabled.
-  */
-  Plumed& operator=(Plumed&&);
-#endif
-  /**
-     Retrieve the C plumed structure for this object
-  */
-  operator plumed()const;
-  /**
-     Retrieve a FORTRAN handler for this object
-      \param c The FORTRAN handler (a char[32]).
-  */
-  void toFortran(char*c)const;
-  /**
-     Send a command to this plumed object
-      \param key The name of the command to be executed
-      \param val The argument. It is declared as const to allow calls like p.cmd("A","B"),
-                 but for some choice of key it can change the content
-      \note Equivalent to plumed_cmd()
-  */
-  void cmd(const char*key,const void*val=NULL);
-  /**
-     Destructor
-
-     Destructor is virtual so as to allow correct inheritance from Plumed object.
-     To avoid linking problems with g++, I specify "inline" also here (in principle
-     it should be enough to specify it down in the definition of the function, but
-     for some reason that I do not understand g++ does not inline it properly in that
-     case and complains when Plumed.h is included but Plumed.o is not linked. Anyway, the
-     way it is done here seems to work properly).
-  */
-  inline virtual ~Plumed();
-};
-
-/* All methods are inlined so as to avoid the compilation of an extra c++ file */
-
-inline
-bool Plumed::installed() {
-  return plumed_installed();
-}
-
-inline
-Plumed::Plumed():
-  main(plumed_create()),
-  reference(false)
-{}
-
-inline
-Plumed::Plumed(const char*c):
-  main(plumed_f2c(c)),
-  reference(true)
-{}
-
-inline
-Plumed::Plumed(plumed p):
-  main(p),
-  reference(true)
-{}
-
-#if __cplusplus > 199711L
-inline
-Plumed::Plumed(Plumed&& p):
-  main(p.main),
-  reference(p.reference)
-{}
-
-inline
-Plumed& Plumed::operator=(Plumed&& p) {
-  main=p.main;
-  reference=p.reference;
-  return *this;
-}
-#endif
-
-inline
-Plumed::operator plumed()const {
-  return main;
-}
-
-inline
-void Plumed::toFortran(char*c)const {
-  plumed_c2f(main,c);
-}
-
-inline
-void Plumed::cmd(const char*key,const void*val) {
-  plumed_cmd(main,key,val);
-}
-
-inline
-Plumed::~Plumed() {
-  if(!reference)plumed_finalize(main);
-}
-
-inline
-bool Plumed::ginitialized() {
-  return plumed_ginitialized();
-}
-
-inline
-void Plumed::gcreate() {
-  plumed_gcreate();
-}
-
-inline
-void Plumed::gcmd(const char* key,const void* val) {
-  plumed_gcmd(key,val);
-}
-
-inline
-void Plumed::gfinalize() {
-  plumed_gfinalize();
-}
-
-inline
-Plumed Plumed::global() {
-  return plumed_global();
-}
-
-}
-
-#endif
-
-
-#endif

From a662afe97084c4bf0061d2e6ff1793160a87da9b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:37:33 -0400
Subject: [PATCH 030/273] fully integrate USER-PLUMED package into conventional
 build

---
 src/Makefile | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/Makefile b/src/Makefile
index 7d31c81c75..b40c98cd76 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -61,21 +61,22 @@ PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
 	   user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
 	   user-intel user-lb user-manifold user-meamc user-meso \
 	   user-mgpt user-misc user-mofff user-molfile \
-	   user-netcdf user-omp user-phonon user-ptm user-qmmm user-qtb \
-	   user-quip user-reaxc user-scafacos user-smd user-smtbq \
+	   user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \
+	   user-qtb user-quip user-reaxc user-scafacos user-smd user-smtbq \
 	   user-sph user-tally user-uef user-vtk
 
 PACKLIB = compress gpu kim kokkos latte meam message mpiio mscg poems \
 	  python reax voronoi \
 	  user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
-	  user-netcdf user-qmmm user-quip user-scafacos user-smd user-vtk
+	  user-netcdf user-plumed user-qmmm user-quip user-scafacos \
+	  user-smd user-vtk
 
 PACKSYS = compress mpiio python user-lb
 
 PACKINT = gpu kokkos meam message poems reax user-atc user-awpmd user-colvars
 
 PACKEXT = kim latte mscg voronoi \
-	  user-h5md user-molfile user-netcdf user-qmmm user-quip \
+	  user-h5md user-molfile user-netcdf user-plumed user-qmmm user-quip \
 	  user-smd user-vtk
 
 PACKALL = $(PACKAGE) $(PACKUSER)

From 360aca581cba306f3d01db66ecb9fdeefe37292b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 21:56:49 -0400
Subject: [PATCH 031/273] remove last reference to voro++

---
 lib/plumed/Install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index eab78a5b4a..6613add4f3 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -1,6 +1,6 @@
 #!/usr/bin/env python
 
-# Install.py tool to download, unpack, build, and link to the Voro++ library
+# Install.py tool to download, unpack, build, and link to the plumed2 library
 # used to automate the steps described in the README file in this dir
 
 from __future__ import print_function

From bee2cb96fa473c1afe0a51303b1a459bdde9af9d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 22:18:27 -0400
Subject: [PATCH 032/273] remove references to Plumed.cpp and Plumed.h

---
 src/.gitignore | 2 --
 1 file changed, 2 deletions(-)

diff --git a/src/.gitignore b/src/.gitignore
index 9a4871d250..74b43cd3d7 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -61,8 +61,6 @@
 /fix_colvars.h
 /fix_plumed.cpp
 /fix_plumed.h
-/Plumed.cpp
-/Plumed.h
 /dump_molfile.cpp
 /dump_molfile.h
 /molfile_interface.cpp

From 25b425dbb017010eb908d71c016e6d5a1aec940d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 28 Oct 2018 22:21:35 -0400
Subject: [PATCH 033/273] no need to import the PLMD namespace globally

---
 src/USER-PLUMED/fix_plumed.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 00a899724b..d43c39bf8d 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -40,7 +40,6 @@
 #include "Plumed.h"
 
 using namespace LAMMPS_NS;
-using namespace PLMD;
 using namespace FixConst;
 
 #define INVOKED_SCALAR 1

From 283096d1d5c5f1e5d11392cff986b19bc016d2a1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 29 Oct 2018 03:50:55 -0400
Subject: [PATCH 034/273] update .gitignore

---
 lib/plumed/.gitignore | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/lib/plumed/.gitignore b/lib/plumed/.gitignore
index f1a18f99d0..c17bb18bf0 100644
--- a/lib/plumed/.gitignore
+++ b/lib/plumed/.gitignore
@@ -1,2 +1,3 @@
-# files to ignore
 /plumed2*
+/includelink
+/liblink

From bcc7a4c32fc1fd29d855d68cda84eed7f9e3c095 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Mon, 29 Oct 2018 06:36:47 -0600
Subject: [PATCH 035/273] cmake: add PLUMED include dir

---
 cmake/CMakeLists.txt | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index ebcd34f966..d46567b277 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -538,14 +538,17 @@ if(PKG_USER-PLUMED)
       CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> 
                                                $<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic>                                                  )
     ExternalProject_get_property(plumed_build INSTALL_DIR)
-    set(PLUMED_BUILD_DIR ${INSTALL_DIR})
+    set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_BUILD_DIR}/lib/libplumed.so)
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so)
+    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include/plumed/wrapper")
   else()
     find_package(PkgConfig REQUIRED)
     pkg_check_modules(PLUMED plumed REQUIRED)
     list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
+    set(PLUMED_INCLUDE_DIRS "${PLUMED_INCLUDE_DIRS}/plumed/wrapper")
   endif()
+  include_directories(${PLUMED_INCLUDE_DIRS})
 endif()
 
 if(PKG_USER-MOLFILE)

From 044507640f6fa0ff044f3192a1f1efe5a0688471 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Mon, 29 Oct 2018 06:52:19 -0600
Subject: [PATCH 036/273] include Plumed.h with full path

---
 cmake/CMakeLists.txt           | 3 +--
 lib/plumed/Install.py          | 2 +-
 src/USER-PLUMED/fix_plumed.cpp | 2 +-
 3 files changed, 3 insertions(+), 4 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index d46567b277..89eb9df257 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -541,12 +541,11 @@ if(PKG_USER-PLUMED)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
     list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so)
-    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include/plumed/wrapper")
+    set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
   else()
     find_package(PkgConfig REQUIRED)
     pkg_check_modules(PLUMED plumed REQUIRED)
     list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
-    set(PLUMED_INCLUDE_DIRS "${PLUMED_INCLUDE_DIRS}/plumed/wrapper")
   endif()
   include_directories(${PLUMED_INCLUDE_DIRS})
 endif()
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 6613add4f3..fc8fa509c1 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -163,7 +163,7 @@ if linkflag:
     os.remove("includelink")
   if os.path.isfile("liblink") or os.path.islink("liblink"):
     os.remove("liblink")
-  cmd = 'ln -s "%s/plumed2/include/plumed/wrapper" includelink' % homepath
+  cmd = 'ln -s "%s/plumed2/include" includelink' % homepath
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   cmd = 'ln -s "%s/plumed2/lib" liblink' % homepath
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index d43c39bf8d..f0582b184a 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -37,7 +37,7 @@
 */
 #define __PLUMED_WRAPPER_FORTRAN 1
 
-#include "Plumed.h"
+#include "plumed/wrapper/Plumed.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

From 1bae30c295527f9cba86fd1a737653865a943af9 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Mon, 29 Oct 2018 06:57:46 -0600
Subject: [PATCH 037/273] liblammps.pc: add some more documentation

---
 cmake/pkgconfig/liblammps.pc.in | 24 ++++++++++++++++++++++--
 1 file changed, 22 insertions(+), 2 deletions(-)

diff --git a/cmake/pkgconfig/liblammps.pc.in b/cmake/pkgconfig/liblammps.pc.in
index 7850972f3b..a8710ca224 100644
--- a/cmake/pkgconfig/liblammps.pc.in
+++ b/cmake/pkgconfig/liblammps.pc.in
@@ -1,9 +1,29 @@
 # pkg-config file for lammps
 # https://people.freedesktop.org/~dbn/pkg-config-guide.html
-# Usage: cc `pkg-config --cflags --libs liblammps` -o myapp myapp.c
-# after you added @CMAKE_INSTALL_FULL_LIBDIR@/pkg-config to PKG_CONFIG_PATH,
+
+# Add the directory where lammps.pc got installed to your PKG_CONFIG_PATH
 # e.g. export PKG_CONFIG_PATH=@CMAKE_INSTALL_FULL_LIBDIR@/pkgconfig
 
+# Use this on commandline with:
+# c++ `pkg-config --cflags --libs lammps` -o myapp myapp.cpp
+
+# Use this in a Makefile:
+# myapp: myapp.cpp
+# 	$(CC) `pkg-config --cflags --libs lammps` -o $@ $<
+
+# Use this in autotools:
+# configure.ac:
+# PKG_CHECK_MODULES([LAMMPS], [lammps])
+# Makefile.am:
+# myapp_CFLAGS = $(LAMMPS_CFLAGS)
+# myapp_LDADD = $(LAMMPS_LIBS)
+
+# Use this in CMake:
+# CMakeLists.txt:
+# find_package(PkgConfig)
+# pkg_check_modules(LAMMPS IMPORTED_TARGET lammps)
+# target_link_libraries(<lib> PkgConfig::LAMMPS)
+
 prefix=@CMAKE_INSTALL_PREFIX@
 libdir=@CMAKE_INSTALL_FULL_LIBDIR@
 includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@

From ba6f6f73f172f936ce7979a4ffac476ca96941d3 Mon Sep 17 00:00:00 2001
From: Morteza Jalalvand <jalalvand.m@gmail.com>
Date: Tue, 30 Oct 2018 17:40:00 +0330
Subject: [PATCH 038/273] first commit: added SDPD

---
 cmake/CMakeLists.txt                          |   4 +-
 cmake/presets/all_off.cmake                   |   2 +-
 cmake/presets/all_on.cmake                    |   2 +-
 cmake/presets/manual_selection.cmake          |   1 +
 cmake/presets/nolib.cmake                     |   2 +-
 cmake/presets/std.cmake                       |   2 +-
 cmake/presets/std_nolib.cmake                 |   2 +-
 cmake/presets/user.cmake                      |   2 +-
 doc/src/Commands_fix.txt                      |   2 +
 doc/src/Commands_pair.txt                     |   1 +
 doc/src/Packages_details.txt                  |  26 +
 doc/src/Packages_user.txt                     |   1 +
 doc/src/fix.txt                               |   2 +
 doc/src/fix_meso_move.txt                     | 233 ++++
 doc/src/fix_rigid_meso.txt                    | 349 ++++++
 doc/src/fixes.txt                             |   2 +
 doc/src/lammps.book                           |   3 +
 doc/src/pair_sdpd_taitwater_isothermal.txt    | 108 ++
 doc/src/pair_style.txt                        |   1 +
 doc/src/pairs.txt                             |   1 +
 .../sdpd/2d-diffusion-in-shear-flow/in.lammps |  61 ++
 ...g.24Oct18.2d-diffusion-in-shear-flow.g++.1 | 247 +++++
 ...g.24Oct18.2d-diffusion-in-shear-flow.g++.4 | 247 +++++
 examples/USER/sdpd/2d-diffusion/in.lammps     |  49 +
 .../log.24Oct18.2d-diffusion.g++.1            | 226 ++++
 .../log.24Oct18.2d-diffusion.g++.4            | 226 ++++
 examples/USER/sdpd/README                     |  24 +
 .../sdpd/equipartition-verification/in.lammps |  45 +
 .../log.24Oct18.equipartition.g++.1           | 146 +++
 .../log.24Oct18.equipartition.g++.4           | 146 +++
 src/Depend.sh                                 |   1 +
 src/USER-SDPD/Install.sh                      |  37 +
 src/USER-SDPD/README                          |  13 +
 src/USER-SDPD/fix_meso_move.cpp               | 998 ++++++++++++++++++
 src/USER-SDPD/fix_meso_move.h                 | 127 +++
 src/USER-SDPD/fix_rigid_meso.cpp              | 500 +++++++++
 src/USER-SDPD/fix_rigid_meso.h                |  69 ++
 .../pair_sdpd_taitwater_isothermal.cpp        | 321 ++++++
 .../pair_sdpd_taitwater_isothermal.h          |  60 ++
 39 files changed, 4281 insertions(+), 8 deletions(-)
 create mode 100644 doc/src/fix_meso_move.txt
 create mode 100644 doc/src/fix_rigid_meso.txt
 create mode 100644 doc/src/pair_sdpd_taitwater_isothermal.txt
 create mode 100644 examples/USER/sdpd/2d-diffusion-in-shear-flow/in.lammps
 create mode 100644 examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.1
 create mode 100644 examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.4
 create mode 100644 examples/USER/sdpd/2d-diffusion/in.lammps
 create mode 100644 examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.1
 create mode 100644 examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.4
 create mode 100644 examples/USER/sdpd/README
 create mode 100644 examples/USER/sdpd/equipartition-verification/in.lammps
 create mode 100644 examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.1
 create mode 100644 examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.4
 create mode 100644 src/USER-SDPD/Install.sh
 create mode 100644 src/USER-SDPD/README
 create mode 100644 src/USER-SDPD/fix_meso_move.cpp
 create mode 100644 src/USER-SDPD/fix_meso_move.h
 create mode 100644 src/USER-SDPD/fix_rigid_meso.cpp
 create mode 100644 src/USER-SDPD/fix_rigid_meso.h
 create mode 100644 src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
 create mode 100644 src/USER-SDPD/pair_sdpd_taitwater_isothermal.h

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index b3c0a70e4a..a334ba0368 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -171,8 +171,8 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
   USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS USER-DIFFRACTION
   USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD
   USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
-  USER-PHONON USER-PTM USER-QTB USER-REAXC USER-SCAFACOS USER-SMD USER-SMTBQ
-  USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
+  USER-PHONON USER-PTM USER-QTB USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD
+  USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
 set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
 set(OTHER_PACKAGES CORESHELL QEQ)
 foreach(PKG ${DEFAULT_PACKAGES})
diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake
index f7e90ddbb4..9021dedc08 100644
--- a/cmake/presets/all_off.cmake
+++ b/cmake/presets/all_off.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake
index 2c6f67904e..ef17e38914 100644
--- a/cmake/presets/all_on.cmake
+++ b/cmake/presets/all_on.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/cmake/presets/manual_selection.cmake b/cmake/presets/manual_selection.cmake
index 6c03d983f6..35a45a5c87 100644
--- a/cmake/presets/manual_selection.cmake
+++ b/cmake/presets/manual_selection.cmake
@@ -61,6 +61,7 @@ set(PKG_USER-QMMM OFF CACHE BOOL "" FORCE)
 set(PKG_USER-QTB OFF CACHE BOOL "" FORCE)
 set(PKG_USER-QUIP OFF CACHE BOOL "" FORCE)
 set(PKG_USER-REAXC OFF CACHE BOOL "" FORCE)
+set(PKG_USER-SDPD OFF CACHE BOOL "" FORCE)
 set(PKG_USER-SMD OFF CACHE BOOL "" FORCE)
 set(PKG_USER-SMTBQ OFF CACHE BOOL "" FORCE)
 set(PKG_USER-SPH OFF CACHE BOOL "" FORCE)
diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake
index cd603aa804..54db12a851 100644
--- a/cmake/presets/nolib.cmake
+++ b/cmake/presets/nolib.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/cmake/presets/std.cmake b/cmake/presets/std.cmake
index 36da897957..4176aba44e 100644
--- a/cmake/presets/std.cmake
+++ b/cmake/presets/std.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/cmake/presets/std_nolib.cmake b/cmake/presets/std_nolib.cmake
index 9bffefcbe0..aa067f2ba0 100644
--- a/cmake/presets/std_nolib.cmake
+++ b/cmake/presets/std_nolib.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/cmake/presets/user.cmake b/cmake/presets/user.cmake
index cb81b67558..afb030d3d6 100644
--- a/cmake/presets/user.cmake
+++ b/cmake/presets/user.cmake
@@ -8,7 +8,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
                   USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
                   USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
                   USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
-                  USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
+                  USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
                   USER-UEF USER-VTK)
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 4144c7eb90..77684390bd 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -94,6 +94,7 @@ OPT.
 "lineforce"_fix_lineforce.html,
 "manifoldforce"_fix_manifoldforce.html,
 "meso"_fix_meso.html,
+"meso/move"_fix_meso_move.html,
 "meso/stationary"_fix_meso_stationary.html,
 "momentum (k)"_fix_momentum.html,
 "move"_fix_move.html,
@@ -172,6 +173,7 @@ OPT.
 "restrain"_fix_restrain.html,
 "rhok"_fix_rhok.html,
 "rigid (o)"_fix_rigid.html,
+"rigid/meso"_fix_rigid_meso.html,
 "rigid/nph (o)"_fix_rigid.html,
 "rigid/nph/small"_fix_rigid.html,
 "rigid/npt (o)"_fix_rigid.html,
diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt
index a74574367c..7af2cc9bae 100644
--- a/doc/src/Commands_pair.txt
+++ b/doc/src/Commands_pair.txt
@@ -198,6 +198,7 @@ OPT.
 "reax/c (ko)"_pair_reaxc.html,
 "rebo (io)"_pair_airebo.html,
 "resquared (go)"_pair_resquared.html,
+"sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html,
 "smd/hertz"_pair_smd_hertz.html,
 "smd/tlsph"_pair_smd_tlsph.html,
 "smd/tri_surface"_pair_smd_triangulated_surface.html,
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 031858e846..be9006316a 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -95,6 +95,7 @@ as contained in the file name.
 "USER-QUIP"_#PKG-USER-QUIP,
 "USER-REAXC"_#PKG-USER-REAXC,
 "USER-SCAFACOS"_#PKG-USER-SCAFACOS,
+"USER-SDPD"_#PKG-USER-SDPD,
 "USER-SMD"_#PKG-USER-SMD,
 "USER-SMTBQ"_#PKG-USER-SMTBQ,
 "USER-SPH"_#PKG-USER-SPH,
@@ -1916,6 +1917,31 @@ examples/USER/scafacos :ul
 
 :line
 
+USER-SDPD package :link(PKG-USER-SDPD),h4
+
+[Contents:]
+
+A pair style for smoothed dissipative particle dynamics (SDPD), which
+is an extension of smoothed particle hydrodynamics (SPH) to mesoscale
+where thermal fluctuations are important (see the
+"USER-SPH package"_#PKG-USER-SPH).
+Also two fixes for moving and rigid body integration of SPH/SDPD particles
+(particles of atom_style meso).
+
+[Author:] Morteza Jalalvand (Institute for Advanced Studies in Basic
+Sciences, Iran).
+
+[Supporting info:]
+
+src/USER-SDPD: filenames -> commands
+src/USER-SDPD/README
+"pair_style sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html
+"fix meso/move"_fix_meso_move.html
+"fix rigid/meso"_fix_rigid_meso.html
+examples/USER/sdpd :ul
+
+:line
+
 USER-SMD package :link(PKG-USER-SMD),h4
 
 [Contents:]
diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt
index 9bb3fbd18c..e1269b0d0c 100644
--- a/doc/src/Packages_user.txt
+++ b/doc/src/Packages_user.txt
@@ -68,6 +68,7 @@ Package, Description, Doc page, Example, Library
 "USER-QUIP"_Packages_details.html#PKG-USER-QUIP, QUIP/libatoms interface,"pair_style quip"_pair_quip.html, USER/quip, ext
 "USER-REAXC"_Packages_details.html#PKG-USER-REAXC, ReaxFF potential (C/C++) ,"pair_style reaxc"_pair_reaxc.html, reax, no
 "USER-SCAFACOS"_Packages_details.html#PKG-USER-SCAFACOS, wrapper on ScaFaCoS solver,"kspace_style scafacos"_kspace_style.html, USER/scafacos, ext
+"USER-SDPD"_Packages_details.html#PKG-USER-SDPD, smoothed dissipative particle dynamics,"pair_style sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal, USER/sdpd, no
 "USER-SMD"_Packages_details.html#PKG-USER-SMD, smoothed Mach dynamics,"SMD User Guide"_PDF/SMD_LAMMPS_userguide.pdf, USER/smd, ext
 "USER-SMTBQ"_Packages_details.html#PKG-USER-SMTBQ, second moment tight binding QEq potential,"pair_style smtbq"_pair_smtbq.html, USER/smtbq, no
 "USER-SPH"_Packages_details.html#PKG-USER-SPH, smoothed particle hydrodynamics,"SPH User Guide"_PDF/SPH_LAMMPS_userguide.pdf, USER/sph, no
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 27cc0467e2..8d00fa987d 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -237,6 +237,7 @@ accelerated styles exist.
 "lineforce"_fix_lineforce.html - constrain atoms to move in a line
 "manifoldforce"_fix_manifoldforce.html - 
 "meso"_fix_meso.html - 
+"meso"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
 "meso/stationary"_fix_meso_stationary.html - 
 "momentum"_fix_momentum.html - zero the linear and/or angular momentum of a group of atoms
 "move"_fix_move.html - move atoms in a prescribed fashion
@@ -331,6 +332,7 @@ accelerated styles exist.
 "rigid/small/npt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPT integration
 "rigid/small/nve"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with alternate NVE integration
 "rigid/small/nvt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
+"rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
 "rx"_fix_rx.html - 
 "saed/vtk"_fix_saed_vtk.html - 
 "setforce"_fix_setforce.html - set the force on each atom
diff --git a/doc/src/fix_meso_move.txt b/doc/src/fix_meso_move.txt
new file mode 100644
index 0000000000..0a222e79ed
--- /dev/null
+++ b/doc/src/fix_meso_move.txt
@@ -0,0 +1,233 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+fix meso/move command :h3
+
+[Syntax:]
+
+fix ID group-ID meso/move style args keyword values ... :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+meso/move = style name of this fix command :l
+style = {linear} or {wiggle} or {rotate} or {variable} :l
+  {linear} args = Vx Vy Vz
+    Vx,Vy,Vz = components of velocity vector (velocity units), any component can be specified as NULL
+  {wiggle} args = Ax Ay Az period
+    Ax,Ay,Az = components of amplitude vector (distance units), any component can be specified as NULL
+    period = period of oscillation (time units)
+  {rotate} args = Px Py Pz Rx Ry Rz period
+    Px,Py,Pz = origin point of axis of rotation (distance units)
+    Rx,Ry,Rz = axis of rotation vector
+    period = period of rotation (time units)
+  {variable} args = v_dx v_dy v_dz v_vx v_vy v_vz
+    v_dx,v_dy,v_dz = 3 variable names that calculate x,y,z displacement as function of time, any component can be specified as NULL
+    v_vx,v_vy,v_vz = 3 variable names that calculate x,y,z velocity as function of time, any component can be specified as NULL :pre
+
+zero or more keyword/value pairs may be appended :l
+keyword = {units} :l
+  {units} value = {box} or {lattice} :pre
+:ule
+
+[Examples:]
+
+fix 1 boundary meso/move wiggle 3.0 0.0 0.0 1.0 units box
+fix 2 boundary meso/move rotate 0.0 0.0 0.0 0.0 0.0 1.0 5.0
+fix 2 boundary meso/move variable v_myx v_myy NULL v_VX v_VY NULL :pre
+
+[Description:]
+
+Perform updates of position, velocity, internal energy and local
+density for mesoscopic particles in the group each timestep using the
+specified settings or formulas, without regard to forces on the
+particles. This can be useful for boundary, solid bodies or other
+particles, whose movement can influence nearby particles.
+
+The operation of this fix is exactly like that described by the
+"fix move"_fix_move.html command, except that particles' density,
+internal energy and extrapolated velocity are also updated.
+
+NOTE: The particles affected by this fix should not be time integrated
+by other fixes (e.g. "fix meso"_fix_meso.html, "fix
+meso/stationary"_fix_meso_stationary.html), since that will change their
+positions and velocities twice.
+
+NOTE: As particles move due to this fix, they will pass thru periodic
+boundaries and be remapped to the other side of the simulation box,
+just as they would during normal time integration (e.g. via the "fix
+meso"_fix_meso.html command).  It is up to you to decide whether periodic
+boundaries are appropriate with the kind of particle motion you are
+prescribing with this fix.
+
+NOTE: As dicsussed below, particles are moved relative to their initial
+position at the time the fix is specified.  These initial coordinates
+are stored by the fix in "unwrapped" form, by using the image flags
+associated with each particle.  See the "dump custom"_dump.html command
+for a discussion of "unwrapped" coordinates.  See the Atoms section of
+the "read_data"_read_data.html command for a discussion of image flags
+and how they are set for each particle.  You can reset the image flags
+(e.g. to 0) before invoking this fix by using the "set image"_set.html
+command.
+
+:line
+
+The {linear} style moves particles at a constant velocity, so that their
+position {X} = (x,y,z) as a function of time is given in vector
+notation as
+
+X(t) = X0 + V * delta :pre
+
+where {X0} = (x0,y0,z0) is their position at the time the fix is
+specified, {V} is the specified velocity vector with components
+(Vx,Vy,Vz), and {delta} is the time elapsed since the fix was
+specified.  This style also sets the velocity of each particle to V =
+(Vx,Vy,Vz).  If any of the velocity components is specified as NULL,
+then the position and velocity of that component is time integrated
+the same as the "fix meso"_fix_meso.html command would perform, using
+the corresponding force component on the particle.
+
+Note that the {linear} style is identical to using the {variable}
+style with an "equal-style variable"_variable.html that uses the
+vdisplace() function.  E.g.
+
+variable V equal 10.0
+variable x equal vdisplace(0.0,$V)
+fix 1 boundary move variable v_x NULL NULL v_V NULL NULL :pre
+
+The {wiggle} style moves particles in an oscillatory fashion, so that
+their position {X} = (x,y,z) as a function of time is given in vector
+notation as
+
+X(t) = X0 + A sin(omega*delta) :pre
+
+where {X0} = (x0,y0,z0) is their position at the time the fix is
+specified, {A} is the specified amplitude vector with components
+(Ax,Ay,Az), {omega} is 2 PI / {period}, and {delta} is the time
+elapsed since the fix was specified.  This style also sets the
+velocity of each particle to the time derivative of this expression.
+If any of the amplitude components is specified as NULL, then the
+position and velocity of that component is time integrated the same as
+the "fix meso"_fix_meso.html command would perform, using the
+corresponding force component on the particle.
+
+Note that the {wiggle} style is identical to using the {variable}
+style with "equal-style variables"_variable.html that use the
+swiggle() and cwiggle() functions.  E.g.
+
+variable A equal 10.0
+variable T equal 5.0
+variable omega equal 2.0*PI/$T
+variable x equal swiggle(0.0,$A,$T)
+variable v equal v_omega*($A-cwiggle(0.0,$A,$T))
+fix 1 boundary move variable v_x NULL NULL v_v NULL NULL :pre
+
+The {rotate} style rotates particles around a rotation axis {R} =
+(Rx,Ry,Rz) that goes thru a point {P} = (Px,Py,Pz).  The {period} of
+the rotation is also specified.  The direction of rotation for the
+particles around the rotation axis is consistent with the right-hand
+rule: if your right-hand thumb points along {R}, then your fingers wrap
+around the axis in the direction of rotation.
+
+This style also sets the velocity of each particle to (omega cross
+Rperp) where omega is its angular velocity around the rotation axis and
+Rperp is a perpendicular vector from the rotation axis to the particle.
+
+The {variable} style allows the position and velocity components of
+each particle to be set by formulas specified via the
+"variable"_variable.html command.  Each of the 6 variables is
+specified as an argument to the fix as v_name, where name is the
+variable name that is defined elsewhere in the input script.
+
+Each variable must be of either the {equal} or {atom} style.
+{Equal}-style variables compute a single numeric quantity, that can be
+a function of the timestep as well as of other simulation values.
+{Atom}-style variables compute a numeric quantity for each particle, that
+can be a function per-atom quantities, such as the particle's position, as
+well as of the timestep and other simulation values.  Note that this
+fix stores the original coordinates of each particle (see note below) so
+that per-atom quantity can be used in an atom-style variable formula.
+See the "variable"_variable.html command for details.
+
+The first 3 variables (v_dx,v_dy,v_dz) specified for the {variable}
+style are used to calculate a displacement from the particle's original
+position at the time the fix was specified.  The second 3 variables
+(v_vx,v_vy,v_vz) specified are used to compute a velocity for each
+particle.
+
+Any of the 6 variables can be specified as NULL.  If both the
+displacement and velocity variables for a particular x,y,z component
+are specified as NULL, then the position and velocity of that
+component is time integrated the same as the "fix meso"_fix_meso.html
+command would perform, using the corresponding force component on the
+particle.  If only the velocity variable for a component is specified as
+NULL, then the displacement variable will be used to set the position
+of the particle, and its velocity component will not be changed. If only
+the displacement variable for a component is specified as NULL, then
+the velocity variable will be used to set the velocity of the particle,
+and the position of the particle will be time integrated using that
+velocity.
+
+The {units} keyword determines the meaning of the distance units used
+to define the {linear} velocity and {wiggle} amplitude and {rotate}
+origin.  This setting is ignored for the {variable} style.  A {box}
+value selects standard units as defined by the "units"_units.html
+command, e.g. velocity in Angstroms/fmsec and amplitude and position
+in Angstroms for units = real.  A {lattice} value means the velocity
+units are in lattice spacings per time and the amplitude and position
+are in lattice spacings.  The "lattice"_lattice.html command must have
+been previously used to define the lattice spacing.  Each of these 3
+quantities may be dependent on the x,y,z dimension, since the lattice
+spacings can be different in x,y,z.
+
+:line
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+This fix writes the original coordinates of moving particles to "binary
+restart files"_restart.html, as well as the initial timestep, so that
+the motion can be continuous in a restarted simulation.  See the
+"read_restart"_read_restart.html command for info on how to re-specify
+a fix in an input script that reads a restart file, so that the
+operation of the fix continues in an uninterrupted fashion.
+
+NOTE: Because the move positions are a function of the current
+timestep and the initial timestep, you cannot reset the timestep to a
+different value after reading a restart file, if you expect a fix move
+command to work in an uninterrupted fashion.
+
+None of the "fix_modify"_fix_modify.html options are relevant to this
+fix.
+
+This fix produces a per-atom array which can be accessed by various
+"output commands"_Howto_output.html.  The number of columns for each
+atom is 3, and the columns store the original unwrapped x,y,z coords
+of each particle.  The per-atom values can be accessed on any timestep.
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.
+
+This fix is not invoked during "energy minimization"_minimize.html.
+
+[Restrictions:]
+
+This fix is part of the USER-SDPD package.  It is only enabled if
+LAMMPS was built with that package. See the "Build
+package"_Build_package.html doc page for more info.
+
+This fix requires that atoms store density and internal energy as
+defined by the "atom_style meso"_atom_style.html command.
+
+All particles in the group must be mesoscopic SPH/SDPD particles.
+
+[Related commands:]
+
+"fix move"_fix_move.html, "fix meso"_fix_meso.html,
+"displace_atoms"_displace_atoms.html
+
+[Default:]
+
+The option default is units = lattice.
diff --git a/doc/src/fix_rigid_meso.txt b/doc/src/fix_rigid_meso.txt
new file mode 100644
index 0000000000..79b014e671
--- /dev/null
+++ b/doc/src/fix_rigid_meso.txt
@@ -0,0 +1,349 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+fix rigid/meso command :h3
+
+[Syntax:]
+
+fix ID group-ID rigid/meso bodystyle args keyword values ... :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+rigid/meso = style name of this fix command :l
+bodystyle = {single} or {molecule} or {group} :l
+  {single} args = none
+  {molecule} args = none
+  {custom} args = {i_propname} or {v_varname}
+    i_propname = an integer property defined via fix property/atom
+    v_varname  = an atom-style or atomfile-style variable
+  {group} args = N groupID1 groupID2 ...
+    N = # of groups
+    groupID1, groupID2, ... = list of N group IDs :pre
+
+zero or more keyword/value pairs may be appended :l
+keyword = {reinit} or {force} or {torque} or {infile} :l
+  {reinit} = {yes} or {no}
+  {force} values = M xflag yflag zflag
+    M = which rigid body from 1-Nbody (see asterisk form below)
+    xflag,yflag,zflag = off/on if component of center-of-mass force is active
+  {torque} values = M xflag yflag zflag
+    M = which rigid body from 1-Nbody (see asterisk form below)
+    xflag,yflag,zflag = off/on if component of center-of-mass torque is active
+  {infile} filename
+    filename = file with per-body values of mass, center-of-mass, moments of inertia :pre
+:ule
+
+[Examples:]
+
+fix 1 ellipsoid rigid/meso single
+fix 1 rods      rigid/meso molecule
+fix 1 spheres   rigid/meso single force 1 off off on
+fix 1 particles rigid/meso molecule force 1*5 off off off force 6*10 off off on
+fix 2 spheres   rigid/meso group 3 sphere1 sphere2 sphere3 torque * off off off  :pre
+	
+[Description:]
+
+Treat one or more sets of mesoscopic SPH/SDPD particles as independent
+rigid bodies.  This means that each timestep the total force and torque
+on each rigid body is computed as the sum of the forces and torques on
+its constituent particles.  The coordinates and velocities of the
+particles in each body are then updated so that the body moves and
+rotates as a single entity using the methods described in the paper by
+"(Miller)"_#Miller. Density and internal energy of the particles will
+also be updated. This is implemented by creating internal data structures
+for each rigid body and performing time integration on these data
+structures.  Positions and velocities of the constituent particles are
+regenerated from the rigid body data structures in every time step. This
+restricts which operations and fixes can be applied to rigid bodies. See
+below for a detailed discussion.
+
+The operation of this fix is exactly like that described by the
+"fix rigid/nve"_fix_rigid.html command, except that particles' density,
+internal energy and extrapolated velocity are also updated.
+
+NOTE: You should not update the particles in rigid bodies via other
+time-integration fixes (e.g. "fix meso"_fix_meso.html,
+"fix meso/stationary"_fix_meso_stationary.html), or you will have conflicting
+updates to positions and velocities resulting in unphysical behavior in most
+cases. When performing a hybrid simulation with some atoms in rigid bodies,
+and some not, a separate time integration fix like "fix meso"_fix_meso.html
+should be used for the non-rigid particles.
+
+NOTE: These fixes are overkill if you simply want to hold a collection
+of particles stationary or have them move with a constant velocity. To
+hold particles stationary use "fix
+meso/stationary"_fix_meso_stationary.html instead. If you would like to
+move particles with a constant velocity use "fix
+meso/move"_fix_meso_move.html.
+
+IMPORTANT NOTE: The aggregate properties of each rigid body are
+calculated at the start of a simulation run and are maintained in
+internal data structures. The properties include the position and
+velocity of the center-of-mass of the body, its moments of inertia, and
+its angular momentum.  This is done using the properties of the
+constituent particles of the body at that point in time (or see the {infile}
+keyword option).  Thereafter, changing these properties of individual
+particles in the body will have no effect on a rigid body's dynamics, unless
+they effect any computation of per-particle forces or torques. If the
+keyword {reinit} is set to {yes} (the default), the rigid body data
+structures will be recreated at the beginning of each {run} command;
+if the keyword {reinit} is set to {no}, the rigid body data structures
+will be built only at the very first {run} command and maintained for
+as long as the rigid fix is defined. For example, you might think you
+could displace the particles in a body or add a large velocity to each particle
+in a body to make it move in a desired direction before a 2nd run is
+performed, using the "set"_set.html or
+"displace_atoms"_displace_atoms.html or "velocity"_velocity.html
+commands.  But these commands will not affect the internal attributes
+of the body unless {reinit} is set to {yes}. With {reinit} set to {no}
+(or using the {infile} option, which implies {reinit} {no}) the position
+and velocity of individual particles in the body will be reset when time
+integration starts again.
+
+:line
+
+Each rigid body must have two or more particles.  A particle can belong
+to at most one rigid body.  Which particles are in which bodies can be
+defined via several options.
+
+For bodystyle {single} the entire fix group of particles is treated as
+one rigid body.
+
+For bodystyle {molecule}, particles are grouped into rigid bodies by their
+respective molecule IDs: each set of particles in the fix group with the
+same molecule ID is treated as a different rigid body.  Note that particles
+with a molecule ID = 0 will be treated as a single rigid body. For a
+system with solvent (typically this is particles with molecule ID = 0)
+surrounding rigid bodies, this may not be what you want.  Thus you
+should be careful to use a fix group that only includes particles you
+want to be part of rigid bodies.
+
+Bodystyle {custom} is similar to bodystyle {molecule} except that it
+is more flexible in using other per-atom properties to define the sets
+of particles that form rigid bodies.  An integer vector defined by the
+"fix property/atom"_fix_property_atom.html command can be used.  Or an
+"atom-style or atomfile-style variable"_variable.html can be used; the
+floating-point value produced by the variable is rounded to an
+integer.  As with bondstyle {molecule}, each set of particles in the fix
+groups with the same integer value is treated as a different rigid
+body.  Since fix property/atom vectors and atom-style variables
+produce values for all particles, you should be careful to use a fix group
+that only includes particles you want to be part of rigid bodies.
+
+For bodystyle {group}, each of the listed groups is treated as a
+separate rigid body.  Only particles that are also in the fix group are
+included in each rigid body.
+
+NOTE: To compute the initial center-of-mass position and other
+properties of each rigid body, the image flags for each particle in the
+body are used to "unwrap" the particle coordinates.  Thus you must
+insure that these image flags are consistent so that the unwrapping
+creates a valid rigid body (one where the particles are close together)
+, particularly if the particles in a single rigid body straddle a
+periodic boundary.  This means the input data file or restart file must
+define the image flags for each particle consistently or that you have
+used the "set"_set.html command to specify them correctly.  If a
+dimension is non-periodic then the image flag of each particle must be
+0 in that dimension, else an error is generated.
+
+By default, each rigid body is acted on by other particles which induce
+an external force and torque on its center of mass, causing it to
+translate and rotate.  Components of the external center-of-mass force
+and torque can be turned off by the {force} and {torque} keywords.
+This may be useful if you wish a body to rotate but not translate, or
+vice versa, or if you wish it to rotate or translate continuously
+unaffected by interactions with other particles.  Note that if you
+expect a rigid body not to move or rotate by using these keywords, you
+must insure its initial center-of-mass translational or angular
+velocity is 0.0. Otherwise the initial translational or angular
+momentum the body has will persist.
+
+An xflag, yflag, or zflag set to {off} means turn off the component of
+force or torque in that dimension.  A setting of {on} means turn on
+the component, which is the default.  Which rigid body(s) the settings
+apply to is determined by the first argument of the {force} and
+{torque} keywords.  It can be an integer M from 1 to Nbody, where
+Nbody is the number of rigid bodies defined.  A wild-card asterisk can
+be used in place of, or in conjunction with, the M argument to set the
+flags for multiple rigid bodies.  This takes the form "*" or "*n" or
+"n*" or "m*n".  If N = the number of rigid bodies, then an asterisk
+with no numeric values means all bodies from 1 to N.  A leading
+asterisk means all bodies from 1 to n (inclusive).  A trailing
+asterisk means all bodies from n to N (inclusive).  A middle asterisk
+means all bodies from m to n (inclusive).  Note that you can use the
+{force} or {torque} keywords as many times as you like.  If a
+particular rigid body has its component flags set multiple times, the
+settings from the final keyword are used.
+
+For computational efficiency, you should typically define one fix
+rigid/meso command which includes all the desired rigid bodies. LAMMPS
+will allow multiple rigid/meso fixes to be defined, but it is more
+expensive.
+
+:line
+
+The keyword/value option pairs are used in the following ways.
+
+The {reinit} keyword determines, whether the rigid body properties
+are re-initialized between run commands. With the option {yes} (the
+default) this is done, with the option {no} this is not done. Turning
+off the re-initialization can be helpful to protect rigid bodies against
+unphysical manipulations between runs or when properties cannot be
+easily re-computed (e.g. when read from a file). When using the {infile}
+keyword, the {reinit} option is automatically set to {no}.
+
+:line
+
+The {infile} keyword allows a file of rigid body attributes to be read
+in from a file, rather then having LAMMPS compute them.  There are 5
+such attributes: the total mass of the rigid body, its center-of-mass
+position, its 6 moments of inertia, its center-of-mass velocity, and
+the 3 image flags of the center-of-mass position.  For rigid bodies
+consisting of point particles or non-overlapping finite-size
+particles, LAMMPS can compute these values accurately.  However, for
+rigid bodies consisting of finite-size particles which overlap each
+other, LAMMPS will ignore the overlaps when computing these 4
+attributes.  The amount of error this induces depends on the amount of
+overlap.  To avoid this issue, the values can be pre-computed
+(e.g. using Monte Carlo integration).
+
+The format of the file is as follows.  Note that the file does not
+have to list attributes for every rigid body integrated by fix rigid.
+Only bodies which the file specifies will have their computed
+attributes overridden.  The file can contain initial blank lines or
+comment lines starting with "#" which are ignored.  The first
+non-blank, non-comment line should list N = the number of lines to
+follow.  The N successive lines contain the following information:
+
+ID1 masstotal xcm ycm zcm ixx iyy izz ixy ixz iyz vxcm vycm vzcm lx ly lz ixcm iycm izcm
+ID2 masstotal xcm ycm zcm ixx iyy izz ixy ixz iyz vxcm vycm vzcm lx ly lz ixcm iycm izcm
+...
+IDN masstotal xcm ycm zcm ixx iyy izz ixy ixz iyz vxcm vycm vzcm lx ly lz ixcm iycm izcm :pre
+
+The rigid body IDs are all positive integers.  For the {single}
+bodystyle, only an ID of 1 can be used.  For the {group} bodystyle,
+IDs from 1 to Ng can be used where Ng is the number of specified
+groups.  For the {molecule} bodystyle, use the molecule ID for the
+atoms in a specific rigid body as the rigid body ID.
+
+The masstotal and center-of-mass coordinates (xcm,ycm,zcm) are
+self-explanatory.  The center-of-mass should be consistent with what
+is calculated for the position of the rigid body with all its atoms
+unwrapped by their respective image flags.  If this produces a
+center-of-mass that is outside the simulation box, LAMMPS wraps it
+back into the box.
+
+The 6 moments of inertia (ixx,iyy,izz,ixy,ixz,iyz) should be the
+values consistent with the current orientation of the rigid body
+around its center of mass.  The values are with respect to the
+simulation box XYZ axes, not with respect to the principal axes of the
+rigid body itself.  LAMMPS performs the latter calculation internally.
+
+The (vxcm,vycm,vzcm) values are the velocity of the center of mass.
+The (lx,ly,lz) values are the angular momentum of the body.  The
+(vxcm,vycm,vzcm) and (lx,ly,lz) values can simply be set to 0 if you
+wish the body to have no initial motion.
+
+The (ixcm,iycm,izcm) values are the image flags of the center of mass
+of the body.  For periodic dimensions, they specify which image of the
+simulation box the body is considered to be in.  An image of 0 means
+it is inside the box as defined.  A value of 2 means add 2 box lengths
+to get the true value.  A value of -1 means subtract 1 box length to
+get the true value.  LAMMPS updates these flags as the rigid bodies
+cross periodic boundaries during the simulation.
+
+NOTE: If you use the {infile} keyword and write restart
+files during a simulation, then each time a restart file is written,
+the fix also write an auxiliary restart file with the name
+rfile.rigid, where "rfile" is the name of the restart file,
+e.g. tmp.restart.10000 and tmp.restart.10000.rigid.  This auxiliary
+file is in the same format described above.  Thus it can be used in a
+new input script that restarts the run and re-specifies a rigid fix
+using an {infile} keyword and the appropriate filename.  Note that the
+auxiliary file will contain one line for every rigid body, even if the
+original file only listed a subset of the rigid bodies.
+
+:line
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information is written to "binary restart files"_restart.html.
+If the {infile} keyword is used, an auxiliary file is written out
+with rigid body information each time a restart file is written, as
+explained above for the {infile} keyword.
+
+None of the "fix_modify"_fix_modify.html options are relevant to this
+fix.
+
+This fix computes a global array of values which can be accessed by
+various "output commands"_Howto_output.html.
+
+The number of rows in the array is equal to the number of rigid
+bodies.  The number of columns is 28.  Thus for each rigid body, 28
+values are stored: the xyz coords of the center of mass (COM), the xyz
+components of the COM velocity, the xyz components of the force acting
+on the COM, the components of the 4-vector quaternion representing the
+orientation of the rigid body, the xyz components of the angular momentum
+of the body around its COM, the xyz components of the torque acting on the
+COM, the 3 principal components of the moment of inertia and the xyz image
+flags of the COM.
+
+The center of mass (COM) for each body is similar to unwrapped
+coordinates written to a dump file.  It will always be inside (or
+slightly outside) the simulation box.  The image flags have the same
+meaning as image flags for particle positions (see the "dump" command).
+This means you can calculate the unwrapped COM by applying the image
+flags to the COM, the same as when unwrapped coordinates are written
+to a dump file.
+
+The force and torque values in the array are not affected by the
+{force} and {torque} keywords in the fix rigid command; they reflect
+values before any changes are made by those keywords.
+
+The ordering of the rigid bodies (by row in the array) is as follows.
+For the {single} keyword there is just one rigid body.  For the
+{molecule} keyword, the bodies are ordered by ascending molecule ID.
+For the {group} keyword, the list of group IDs determines the ordering
+of bodies.
+
+The array values calculated by this fix are "intensive", meaning they
+are independent of the number of particles in the simulation.
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.
+
+This fix is not invoked during "energy minimization"_minimize.html.
+
+:line
+
+[Restrictions:]
+
+This fix is part of the USER-SDPD package and also depends on the RIGID
+package.  It is only enabled if LAMMPS was built with both packages. See
+the "Build package"_Build_package.html doc page for more info.
+
+This fix requires that atoms store density and internal energy as
+defined by the "atom_style meso"_atom_style.html command.
+
+All particles in the group must be mesoscopic SPH/SDPD particles.
+
+[Related commands:]
+
+"fix meso/move"_fix_meso_move.html, "fix rigid"_fix_rigid.html,
+"neigh_modify exclude"_neigh_modify.html
+
+[Default:]
+
+The option defaults are force * on on on and torque * on on on,
+meaning all rigid bodies are acted on by center-of-mass force and
+torque. Also reinit = yes.
+
+:line
+
+:link(Miller)
+[(Miller)] Miller, Eleftheriou, Pattnaik, Ndirango, and Newns, 
+J Chem Phys, 116, 8649 (2002).
diff --git a/doc/src/fixes.txt b/doc/src/fixes.txt
index 66f6633124..36ccf4269a 100644
--- a/doc/src/fixes.txt
+++ b/doc/src/fixes.txt
@@ -73,6 +73,7 @@ Fixes :h1
    fix_lineforce
    fix_manifoldforce
    fix_meso
+   fix_meso_move
    fix_meso_stationary
    fix_momentum
    fix_move
@@ -137,6 +138,7 @@ Fixes :h1
    fix_restrain
    fix_rhok
    fix_rigid
+   fix_rigid_meso
    fix_rx
    fix_saed_vtk
    fix_setforce
diff --git a/doc/src/lammps.book b/doc/src/lammps.book
index f739712f08..cb328c4089 100644
--- a/doc/src/lammps.book
+++ b/doc/src/lammps.book
@@ -293,6 +293,7 @@ fix_lb_viscous.html
 fix_lineforce.html
 fix_manifoldforce.html
 fix_meso.html
+fix_meso_move.html
 fix_meso_stationary.html
 fix_momentum.html
 fix_move.html
@@ -356,6 +357,7 @@ fix_reaxc_species.html
 fix_recenter.html
 fix_restrain.html
 fix_rigid.html
+fix_rigid_meso.html
 fix_rhok.html
 fix_rx.html
 fix_saed_vtk.html
@@ -615,6 +617,7 @@ pair_reax.html
 pair_reaxc.html
 pair_resquared.html
 pair_sdk.html
+pair_sdpd_taitwater_isothermal.html
 pair_smd_hertz.html
 pair_smd_tlsph.html
 pair_smd_triangulated_surface.html
diff --git a/doc/src/pair_sdpd_taitwater_isothermal.txt b/doc/src/pair_sdpd_taitwater_isothermal.txt
new file mode 100644
index 0000000000..97b68ceba7
--- /dev/null
+++ b/doc/src/pair_sdpd_taitwater_isothermal.txt
@@ -0,0 +1,108 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+pair_style sdpd/taitwater/isothermal command :h3
+
+[Syntax:]
+
+pair_style sdpd/taitwater/isothermal temperature viscosity seed
+:pre
+
+temperature = temperature of the fluid (temperature units)
+viscosity = dynamic viscosity of the fluid (mass*distance/time units)
+seed = random number generator seed (positive integer, optional) :ul
+
+[Examples:]
+
+pair_style sdpd/taitwater/isothermal 300. 1. 28681
+pair_coeff * * 1000.0 1430.0 2.4 :pre
+
+[Description:]
+
+The sdpd/taitwater/isothermal style computes forces between mesoscopic
+particles according to the Smoothed Dissipative Particle Dynamics model
+described in this paper by "(Español and Revenga)"_#Español_Revenga under
+the following assumptions:
+
+:olb
+The temperature is constant and uniform. :l
+The shear viscosity is constant and uniform. :l
+The volume viscosity is negligible before the shear viscosity. :l
+The Boltzmann constant is negligible before the heat capacity of a
+single mesoscopic particle of fluid. :ole,l
+
+The third assumption is true for water in nearly incompressible flows.
+The fourth holds true for water for any reasonable size one can
+imagine for a mesoscopic particle.
+
+The pressure forces between particles will be computed according to
+Tait's equation of state:
+
+:c,image(Eqs/pair_sph_tait.jpg)
+
+where gamma = 7 and B = c_0^2 rho_0 / gamma, with rho_0 being the
+reference density and c_0 the reference speed of sound.
+
+The laminar viscosity and the random forces will be computed according
+to formulas described in "(Español and Revenga)"_#Español_Revenga.
+
+IMPORTANT NOTE: Similar to "brownian"_pair_brownian.html and
+"dpd"_pair_dpd.html styles, the "newton"_newton.html setting for
+pairwise interactions needs to be on when running LAMMPS in parallel
+if you want to ensure linear momentum conservation. Otherwise random
+forces generated for pairs straddling processor boundary will not be
+equal and opposite.
+
+NOTE: The actual random seed used will be a mix of what you specify
+and other parameters like the MPI ranks. This is to ensure that
+different MPI tasks have distinct seeds.
+
+The following coefficients must be defined for each pair of atoms
+types via the "pair_coeff"_pair_coeff.html command as in the examples
+above.
+
+rho0 reference density (mass/volume units)
+c0 reference soundspeed (distance/time units)
+h kernel function cutoff (distance units) :ul
+
+:line
+
+[Mixing, shift, table, tail correction, restart, rRESPA info]:
+
+This style does not support mixing.  Thus, coefficients for all
+I,J pairs must be specified explicitly.
+
+This style does not support the "pair_modify"_pair_modify.html
+shift, table, and tail options.
+
+This style does not write information to "binary restart
+files"_restart.html.  Thus, you need to re-specify the pair_style and
+pair_coeff commands in an input script that reads a restart file.
+
+This style can only be used via the {pair} keyword of the "run_style
+respa"_run_style.html command.  It does not support the {inner},
+{middle}, {outer} keywords.
+
+[Restrictions:]
+
+This pair style is part of the USER-SDPD package.  It is only enabled
+if LAMMPS was built with that package.  See the "Build
+package"_Build_package.html doc page for more info.
+
+[Related commands:]
+
+"pair coeff"_pair_coeff.html, "pair sph/rhosum"_pair_sph_rhosum.html
+
+[Default:]
+
+The default seed is 0 (before mixing).
+
+:line
+
+:link(Español_Revenga)
+[(Español and Revenga)] Español, Revenga, Physical Review E, 67, 026705 (2003).
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index 14e3f79215..f6098fa005 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -268,6 +268,7 @@ pair"_Commands_pair.html doc page are followed by one or more of
 "reax/c"_pair_reaxc.html - ReaxFF potential in C
 "rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner
 "resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential
+"sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html - smoothed dissipative particle dynamics for water at isothermal conditions
 "smd/hertz"_pair_smd_hertz.html - 
 "smd/tlsph"_pair_smd_tlsph.html - 
 "smd/tri_surface"_pair_smd_triangulated_surface.html - 
diff --git a/doc/src/pairs.txt b/doc/src/pairs.txt
index d535798482..ca79051053 100644
--- a/doc/src/pairs.txt
+++ b/doc/src/pairs.txt
@@ -86,6 +86,7 @@ Pair Styles :h1
    pair_reaxc
    pair_resquared
    pair_sdk
+   pair_sdpd_taitwater_isothermal
    pair_smd_hertz
    pair_smd_tlsph
    pair_smd_triangulated_surface
diff --git a/examples/USER/sdpd/2d-diffusion-in-shear-flow/in.lammps b/examples/USER/sdpd/2d-diffusion-in-shear-flow/in.lammps
new file mode 100644
index 0000000000..138f7b5338
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion-in-shear-flow/in.lammps
@@ -0,0 +1,61 @@
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        Lf equal $R*3
+variable        Lb equal $R*4
+variable        wall_velocity equal 0.01                          # micrometers/microsecond
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        mass equal $a*$a*$a*${rho_0}
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+
+region          box block -${Lb} ${Lb} -${Lb} ${Lb} 0 ${a} units box
+create_box      4 box
+lattice         sq $a
+
+create_atoms    1 box
+
+region          sphere sphere 0 0 0 $R units box
+set             region sphere type 2
+
+region          upper_wall block INF INF +${Lf} INF INF INF units box
+set             region upper_wall type 3
+
+region          lower_wall block INF INF INF -${Lf} INF INF units box
+set             region lower_wall type 4
+
+group           fluid type 1
+group           sphere type 2
+group           upper_wall type 3
+group           lower_wall type 4
+
+mass            * ${mass}
+set             group all meso/rho ${rho_0}
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+fix             3 upper_wall meso/move linear +${wall_velocity} 0 0 units box
+fix             4 lower_wall meso/move linear -${wall_velocity} 0 0 units box
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
diff --git a/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.1 b/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.1
new file mode 100644
index 0000000000..cd01601292
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.1
@@ -0,0 +1,247 @@
+LAMMPS (24 Oct 2018)
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        a equal 0.5/5            
+variable        Lf equal $R*3
+variable        Lf equal 0.5*3
+variable        Lb equal $R*4
+variable        Lb equal 0.5*4
+variable        wall_velocity equal 0.01                          # micrometers/microsecond
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.5          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+variable        skin equal 0.2*0.45
+
+region          box block -${Lb} ${Lb} -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 ${Lb} -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 2 -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 2 -2 ${Lb} 0 ${a} units box
+region          box block -2 2 -2 2 0 ${a} units box
+region          box block -2 2 -2 2 0 0.1 units box
+create_box      4 box
+Created orthogonal box = (-2 -2 0) to (2 2 0.1)
+  1 by 1 by 1 MPI processor grid
+lattice         sq $a
+lattice         sq 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 1600 atoms
+  Time spent = 0.00169706 secs
+
+region          sphere sphere 0 0 0 $R units box
+region          sphere sphere 0 0 0 0.5 units box
+set             region sphere type 2
+  81 settings made for type
+
+region          upper_wall block INF INF +${Lf} INF INF INF units box
+region          upper_wall block INF INF +1.5 INF INF INF units box
+set             region upper_wall type 3
+  200 settings made for type
+
+region          lower_wall block INF INF INF -${Lf} INF INF units box
+region          lower_wall block INF INF INF -1.5 INF INF units box
+set             region lower_wall type 4
+  240 settings made for type
+
+group           fluid type 1
+1079 atoms in group fluid
+group           sphere type 2
+81 atoms in group sphere
+group           upper_wall type 3
+200 atoms in group upper_wall
+group           lower_wall type 4
+240 atoms in group lower_wall
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  1600 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 100 ${h}
+pair_coeff      * * 1 100 0.45
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+1 rigid bodies with 81 atoms
+fix             3 upper_wall meso/move linear +${wall_velocity} 0 0 units box
+fix             3 upper_wall meso/move linear +0.01 0 0 units box
+fix             4 lower_wall meso/move linear -${wall_velocity} 0 0 units box
+fix             4 lower_wall meso/move linear -0.01 0 0 units box
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neighbor        0.09 bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+timestep        0.001
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.54
+  ghost atom cutoff = 0.54
+  binsize = 0.27, bins = 15 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.937 | 6.937 | 6.937 Mbytes
+Step Time Nbuild Ndanger 
+       0            0        0        0 
+     100          0.1        0        0 
+     200          0.2        0        0 
+     300          0.3        0        0 
+     400          0.4        0        0 
+     500          0.5        1        0 
+     600          0.6        1        0 
+     700          0.7        2        0 
+     800          0.8        2        0 
+     900          0.9        2        0 
+    1000            1        3        0 
+    1100          1.1        3        0 
+    1200          1.2        3        0 
+    1300          1.3        4        0 
+    1400          1.4        4        0 
+    1500          1.5        4        0 
+    1600          1.6        5        0 
+    1700          1.7        5        0 
+    1800          1.8        5        0 
+    1900          1.9        6        0 
+    2000            2        6        0 
+    2100          2.1        6        0 
+    2200          2.2        7        0 
+    2300          2.3        7        0 
+    2400          2.4        7        0 
+    2500          2.5        8        0 
+    2600          2.6        8        0 
+    2700          2.7        8        0 
+    2800          2.8        9        0 
+    2900          2.9        9        0 
+    3000            3        9        0 
+    3100          3.1       10        0 
+    3200          3.2       10        0 
+    3300          3.3       10        0 
+    3400          3.4       11        0 
+    3500          3.5       11        0 
+    3600          3.6       11        0 
+    3700          3.7       12        0 
+    3800          3.8       12        0 
+    3900          3.9       12        0 
+    4000            4       13        0 
+    4100          4.1       13        0 
+    4200          4.2       14        0 
+    4300          4.3       14        0 
+    4400          4.4       14        0 
+    4500          4.5       15        0 
+    4600          4.6       15        0 
+    4700          4.7       15        0 
+    4800          4.8       16        0 
+    4900          4.9       16        0 
+    5000            5       16        0 
+    5100          5.1       17        0 
+    5200          5.2       17        0 
+    5300          5.3       17        0 
+    5400          5.4       17        0 
+    5500          5.5       18        0 
+    5600          5.6       18        0 
+    5700          5.7       19        0 
+    5800          5.8       19        0 
+    5900          5.9       19        0 
+    6000            6       20        0 
+    6100          6.1       20        0 
+    6200          6.2       21        0 
+    6300          6.3       21        0 
+    6400          6.4       21        0 
+    6500          6.5       22        0 
+    6600          6.6       22        0 
+    6700          6.7       22        0 
+    6800          6.8       23        0 
+    6900          6.9       23        0 
+    7000            7       23        0 
+    7100          7.1       24        0 
+    7200          7.2       24        0 
+    7300          7.3       25        0 
+    7400          7.4       25        0 
+    7500          7.5       25        0 
+    7600          7.6       26        0 
+    7700          7.7       26        0 
+    7800          7.8       26        0 
+    7900          7.9       27        0 
+    8000            8       27        0 
+    8100          8.1       27        0 
+    8200          8.2       28        0 
+    8300          8.3       28        0 
+    8400          8.4       28        0 
+    8500          8.5       29        0 
+    8600          8.6       29        0 
+    8700          8.7       30        0 
+    8800          8.8       30        0 
+    8900          8.9       30        0 
+    9000            9       31        0 
+    9100          9.1       31        0 
+    9200          9.2       31        0 
+    9300          9.3       32        0 
+    9400          9.4       32        0 
+    9500          9.5       32        0 
+    9600          9.6       33        0 
+    9700          9.7       33        0 
+    9800          9.8       33        0 
+    9900          9.9       34        0 
+   10000           10       34        0 
+Loop time of 144.208 on 1 procs for 10000 steps with 1600 atoms
+
+Performance: 5991348.580 ns/day, 0.000 hours/ns, 69.344 timesteps/s
+99.7% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 143.08     | 143.08     | 143.08     |   0.0 | 99.22
+Neigh   | 0.033195   | 0.033195   | 0.033195   |   0.0 |  0.02
+Comm    | 0.24139    | 0.24139    | 0.24139    |   0.0 |  0.17
+Output  | 0.11687    | 0.11687    | 0.11687    |   0.0 |  0.08
+Modify  | 0.61566    | 0.61566    | 0.61566    |   0.0 |  0.43
+Other   |            | 0.117      |            |       |  0.08
+
+Nlocal:    1600 ave 1600 max 1600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    993 ave 993 max 993 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    73236 ave 73236 max 73236 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 73236
+Ave neighs/atom = 45.7725
+Neighbor list builds = 34
+Dangerous builds = 0
+Total wall time: 0:02:24
diff --git a/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.4 b/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.4
new file mode 100644
index 0000000000..77823e00fc
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion-in-shear-flow/log.24Oct18.2d-diffusion-in-shear-flow.g++.4
@@ -0,0 +1,247 @@
+LAMMPS (24 Oct 2018)
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        a equal 0.5/5            
+variable        Lf equal $R*3
+variable        Lf equal 0.5*3
+variable        Lb equal $R*4
+variable        Lb equal 0.5*4
+variable        wall_velocity equal 0.01                          # micrometers/microsecond
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.5          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+variable        skin equal 0.2*0.45
+
+region          box block -${Lb} ${Lb} -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 ${Lb} -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 2 -${Lb} ${Lb} 0 ${a} units box
+region          box block -2 2 -2 ${Lb} 0 ${a} units box
+region          box block -2 2 -2 2 0 ${a} units box
+region          box block -2 2 -2 2 0 0.1 units box
+create_box      4 box
+Created orthogonal box = (-2 -2 0) to (2 2 0.1)
+  2 by 2 by 1 MPI processor grid
+lattice         sq $a
+lattice         sq 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 1600 atoms
+  Time spent = 0.000589566 secs
+
+region          sphere sphere 0 0 0 $R units box
+region          sphere sphere 0 0 0 0.5 units box
+set             region sphere type 2
+  81 settings made for type
+
+region          upper_wall block INF INF +${Lf} INF INF INF units box
+region          upper_wall block INF INF +1.5 INF INF INF units box
+set             region upper_wall type 3
+  200 settings made for type
+
+region          lower_wall block INF INF INF -${Lf} INF INF units box
+region          lower_wall block INF INF INF -1.5 INF INF units box
+set             region lower_wall type 4
+  240 settings made for type
+
+group           fluid type 1
+1079 atoms in group fluid
+group           sphere type 2
+81 atoms in group sphere
+group           upper_wall type 3
+200 atoms in group upper_wall
+group           lower_wall type 4
+240 atoms in group lower_wall
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  1600 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 100 ${h}
+pair_coeff      * * 1 100 0.45
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+1 rigid bodies with 81 atoms
+fix             3 upper_wall meso/move linear +${wall_velocity} 0 0 units box
+fix             3 upper_wall meso/move linear +0.01 0 0 units box
+fix             4 lower_wall meso/move linear -${wall_velocity} 0 0 units box
+fix             4 lower_wall meso/move linear -0.01 0 0 units box
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neighbor        0.09 bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+timestep        0.001
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.54
+  ghost atom cutoff = 0.54
+  binsize = 0.27, bins = 15 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.854 | 6.854 | 6.854 Mbytes
+Step Time Nbuild Ndanger 
+       0            0        0        0 
+     100          0.1        0        0 
+     200          0.2        0        0 
+     300          0.3        0        0 
+     400          0.4        1        0 
+     500          0.5        1        0 
+     600          0.6        1        0 
+     700          0.7        2        0 
+     800          0.8        2        0 
+     900          0.9        2        0 
+    1000            1        3        0 
+    1100          1.1        3        0 
+    1200          1.2        4        0 
+    1300          1.3        4        0 
+    1400          1.4        4        0 
+    1500          1.5        4        0 
+    1600          1.6        5        0 
+    1700          1.7        5        0 
+    1800          1.8        5        0 
+    1900          1.9        6        0 
+    2000            2        6        0 
+    2100          2.1        6        0 
+    2200          2.2        6        0 
+    2300          2.3        7        0 
+    2400          2.4        7        0 
+    2500          2.5        7        0 
+    2600          2.6        8        0 
+    2700          2.7        8        0 
+    2800          2.8        8        0 
+    2900          2.9        9        0 
+    3000            3        9        0 
+    3100          3.1        9        0 
+    3200          3.2       10        0 
+    3300          3.3       10        0 
+    3400          3.4       10        0 
+    3500          3.5       11        0 
+    3600          3.6       11        0 
+    3700          3.7       11        0 
+    3800          3.8       12        0 
+    3900          3.9       12        0 
+    4000            4       12        0 
+    4100          4.1       13        0 
+    4200          4.2       13        0 
+    4300          4.3       13        0 
+    4400          4.4       14        0 
+    4500          4.5       14        0 
+    4600          4.6       15        0 
+    4700          4.7       15        0 
+    4800          4.8       15        0 
+    4900          4.9       16        0 
+    5000            5       16        0 
+    5100          5.1       17        0 
+    5200          5.2       17        0 
+    5300          5.3       17        0 
+    5400          5.4       17        0 
+    5500          5.5       18        0 
+    5600          5.6       18        0 
+    5700          5.7       18        0 
+    5800          5.8       19        0 
+    5900          5.9       19        0 
+    6000            6       20        0 
+    6100          6.1       20        0 
+    6200          6.2       20        0 
+    6300          6.3       21        0 
+    6400          6.4       21        0 
+    6500          6.5       21        0 
+    6600          6.6       22        0 
+    6700          6.7       22        0 
+    6800          6.8       22        0 
+    6900          6.9       23        0 
+    7000            7       23        0 
+    7100          7.1       23        0 
+    7200          7.2       24        0 
+    7300          7.3       24        0 
+    7400          7.4       25        0 
+    7500          7.5       25        0 
+    7600          7.6       25        0 
+    7700          7.7       25        0 
+    7800          7.8       26        0 
+    7900          7.9       26        0 
+    8000            8       26        0 
+    8100          8.1       27        0 
+    8200          8.2       27        0 
+    8300          8.3       27        0 
+    8400          8.4       28        0 
+    8500          8.5       28        0 
+    8600          8.6       28        0 
+    8700          8.7       29        0 
+    8800          8.8       29        0 
+    8900          8.9       29        0 
+    9000            9       30        0 
+    9100          9.1       30        0 
+    9200          9.2       31        0 
+    9300          9.3       31        0 
+    9400          9.4       31        0 
+    9500          9.5       32        0 
+    9600          9.6       32        0 
+    9700          9.7       32        0 
+    9800          9.8       32        0 
+    9900          9.9       33        0 
+   10000           10       33        0 
+Loop time of 63.2372 on 4 procs for 10000 steps with 1600 atoms
+
+Performance: 13662841.706 ns/day, 0.000 hours/ns, 158.135 timesteps/s
+94.3% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 51.576     | 53.662     | 55.484     |  23.9 | 84.86
+Neigh   | 0.011519   | 0.012395   | 0.013405   |   0.7 |  0.02
+Comm    | 6.8389     | 8.5423     | 10.517     |  56.1 | 13.51
+Output  | 0.12342    | 0.12513    | 0.1302     |   0.8 |  0.20
+Modify  | 0.58708    | 0.69128    | 0.78806    |  11.3 |  1.09
+Other   |            | 0.2038     |            |       |  0.32
+
+Nlocal:    400 ave 411 max 388 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Nghost:    552.25 ave 567 max 539 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Neighs:    18298.8 ave 18781 max 17829 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 73195
+Ave neighs/atom = 45.7469
+Neighbor list builds = 33
+Dangerous builds = 0
+Total wall time: 0:01:03
diff --git a/examples/USER/sdpd/2d-diffusion/in.lammps b/examples/USER/sdpd/2d-diffusion/in.lammps
new file mode 100644
index 0000000000..6ef36a0cf6
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion/in.lammps
@@ -0,0 +1,49 @@
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        L equal $R*3
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        mass equal $a*$a*$a*${rho_0}
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+
+region          box block -$L $L -$L $L 0 $a units box
+create_box      2 box
+lattice         sq $a
+
+create_atoms    1 box
+
+region          sphere sphere 0 0 0 $R units box
+set             region sphere type 2
+
+group           fluid type 1
+group           sphere type 2
+
+mass            * ${mass}
+set             group all meso/rho ${rho_0}
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
diff --git a/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.1 b/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.1
new file mode 100644
index 0000000000..d44c0fd6f4
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.1
@@ -0,0 +1,226 @@
+LAMMPS (24 Oct 2018)
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        a equal 0.5/5            
+variable        L equal $R*3
+variable        L equal 0.5*3
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.5          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+variable        skin equal 0.2*0.45
+
+region          box block -$L $L -$L $L 0 $a units box
+region          box block -1.5 $L -$L $L 0 $a units box
+region          box block -1.5 1.5 -$L $L 0 $a units box
+region          box block -1.5 1.5 -1.5 $L 0 $a units box
+region          box block -1.5 1.5 -1.5 1.5 0 $a units box
+region          box block -1.5 1.5 -1.5 1.5 0 0.1 units box
+create_box      2 box
+Created orthogonal box = (-1.5 -1.5 0) to (1.5 1.5 0.1)
+  1 by 1 by 1 MPI processor grid
+lattice         sq $a
+lattice         sq 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 900 atoms
+  Time spent = 0.0015769 secs
+
+region          sphere sphere 0 0 0 $R units box
+region          sphere sphere 0 0 0 0.5 units box
+set             region sphere type 2
+  81 settings made for type
+
+group           fluid type 1
+819 atoms in group fluid
+group           sphere type 2
+81 atoms in group sphere
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  900 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 100 ${h}
+pair_coeff      * * 1 100 0.45
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+1 rigid bodies with 81 atoms
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neighbor        0.09 bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+timestep        0.001
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.54
+  ghost atom cutoff = 0.54
+  binsize = 0.27, bins = 12 12 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.137 | 6.137 | 6.137 Mbytes
+Step Time Nbuild Ndanger 
+       0            0        0        0 
+     100          0.1        0        0 
+     200          0.2        0        0 
+     300          0.3        0        0 
+     400          0.4        1        0 
+     500          0.5        1        0 
+     600          0.6        1        0 
+     700          0.7        2        0 
+     800          0.8        2        0 
+     900          0.9        2        0 
+    1000            1        3        0 
+    1100          1.1        3        0 
+    1200          1.2        3        0 
+    1300          1.3        4        0 
+    1400          1.4        4        0 
+    1500          1.5        4        0 
+    1600          1.6        5        0 
+    1700          1.7        5        0 
+    1800          1.8        6        0 
+    1900          1.9        6        0 
+    2000            2        6        0 
+    2100          2.1        7        0 
+    2200          2.2        7        0 
+    2300          2.3        7        0 
+    2400          2.4        7        0 
+    2500          2.5        8        0 
+    2600          2.6        8        0 
+    2700          2.7        8        0 
+    2800          2.8        9        0 
+    2900          2.9        9        0 
+    3000            3       10        0 
+    3100          3.1       10        0 
+    3200          3.2       10        0 
+    3300          3.3       11        0 
+    3400          3.4       11        0 
+    3500          3.5       11        0 
+    3600          3.6       12        0 
+    3700          3.7       12        0 
+    3800          3.8       12        0 
+    3900          3.9       13        0 
+    4000            4       13        0 
+    4100          4.1       13        0 
+    4200          4.2       14        0 
+    4300          4.3       14        0 
+    4400          4.4       14        0 
+    4500          4.5       15        0 
+    4600          4.6       15        0 
+    4700          4.7       15        0 
+    4800          4.8       16        0 
+    4900          4.9       16        0 
+    5000            5       17        0 
+    5100          5.1       17        0 
+    5200          5.2       17        0 
+    5300          5.3       17        0 
+    5400          5.4       18        0 
+    5500          5.5       18        0 
+    5600          5.6       18        0 
+    5700          5.7       19        0 
+    5800          5.8       19        0 
+    5900          5.9       19        0 
+    6000            6       19        0 
+    6100          6.1       20        0 
+    6200          6.2       20        0 
+    6300          6.3       20        0 
+    6400          6.4       21        0 
+    6500          6.5       21        0 
+    6600          6.6       21        0 
+    6700          6.7       21        0 
+    6800          6.8       22        0 
+    6900          6.9       22        0 
+    7000            7       22        0 
+    7100          7.1       23        0 
+    7200          7.2       23        0 
+    7300          7.3       23        0 
+    7400          7.4       24        0 
+    7500          7.5       24        0 
+    7600          7.6       24        0 
+    7700          7.7       25        0 
+    7800          7.8       25        0 
+    7900          7.9       26        0 
+    8000            8       26        0 
+    8100          8.1       26        0 
+    8200          8.2       26        0 
+    8300          8.3       27        0 
+    8400          8.4       27        0 
+    8500          8.5       27        0 
+    8600          8.6       28        0 
+    8700          8.7       28        0 
+    8800          8.8       28        0 
+    8900          8.9       29        0 
+    9000            9       29        0 
+    9100          9.1       29        0 
+    9200          9.2       30        0 
+    9300          9.3       30        0 
+    9400          9.4       30        0 
+    9500          9.5       30        0 
+    9600          9.6       31        0 
+    9700          9.7       31        0 
+    9800          9.8       32        0 
+    9900          9.9       32        0 
+   10000           10       32        0 
+Loop time of 80.9456 on 1 procs for 10000 steps with 900 atoms
+
+Performance: 10673829.855 ns/day, 0.000 hours/ns, 123.540 timesteps/s
+99.8% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 80.306     | 80.306     | 80.306     |   0.0 | 99.21
+Neigh   | 0.017418   | 0.017418   | 0.017418   |   0.0 |  0.02
+Comm    | 0.16939    | 0.16939    | 0.16939    |   0.0 |  0.21
+Output  | 0.070281   | 0.070281   | 0.070281   |   0.0 |  0.09
+Modify  | 0.3154     | 0.3154     | 0.3154     |   0.0 |  0.39
+Other   |            | 0.067      |            |       |  0.08
+
+Nlocal:    900 ave 900 max 900 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    762 ave 762 max 762 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    40697 ave 40697 max 40697 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 40697
+Ave neighs/atom = 45.2189
+Neighbor list builds = 32
+Dangerous builds = 0
+Total wall time: 0:01:20
diff --git a/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.4 b/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.4
new file mode 100644
index 0000000000..f904b78ab4
--- /dev/null
+++ b/examples/USER/sdpd/2d-diffusion/log.24Oct18.2d-diffusion.g++.4
@@ -0,0 +1,226 @@
+LAMMPS (24 Oct 2018)
+dimension       2
+units           micro
+atom_style      meso
+
+variable        R equal 0.5             # radius of sphere          micrometers
+variable        a equal $R/5            # lattice spacing           micrometers
+variable        a equal 0.5/5            
+variable        L equal $R*3
+variable        L equal 0.5*3
+variable        T equal 300.
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 100.          # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.5          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.5          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 1e-3           # timestep                  microseconds
+variable        skin equal 0.2*$h
+variable        skin equal 0.2*0.45
+
+region          box block -$L $L -$L $L 0 $a units box
+region          box block -1.5 $L -$L $L 0 $a units box
+region          box block -1.5 1.5 -$L $L 0 $a units box
+region          box block -1.5 1.5 -1.5 $L 0 $a units box
+region          box block -1.5 1.5 -1.5 1.5 0 $a units box
+region          box block -1.5 1.5 -1.5 1.5 0 0.1 units box
+create_box      2 box
+Created orthogonal box = (-1.5 -1.5 0) to (1.5 1.5 0.1)
+  2 by 2 by 1 MPI processor grid
+lattice         sq $a
+lattice         sq 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 900 atoms
+  Time spent = 0.0010246 secs
+
+region          sphere sphere 0 0 0 $R units box
+region          sphere sphere 0 0 0 0.5 units box
+set             region sphere type 2
+  81 settings made for type
+
+group           fluid type 1
+819 atoms in group fluid
+group           sphere type 2
+81 atoms in group sphere
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  900 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 100 ${h}
+pair_coeff      * * 1 100 0.45
+
+fix             1 fluid meso
+fix             2 sphere rigid/meso single
+1 rigid bodies with 81 atoms
+
+fix             2d all enforce2d
+
+neighbor        ${skin} bin
+neighbor        0.09 bin
+neigh_modify	delay 0 every 1 check yes
+timestep        ${dt}
+timestep        0.001
+
+dump            dump_id all atom 100 dump.lammpstrj
+
+thermo          100
+thermo_style    custom step time nbuild ndanger
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.54
+  ghost atom cutoff = 0.54
+  binsize = 0.27, bins = 12 12 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.087 | 6.087 | 6.087 Mbytes
+Step Time Nbuild Ndanger 
+       0            0        0        0 
+     100          0.1        0        0 
+     200          0.2        0        0 
+     300          0.3        0        0 
+     400          0.4        1        0 
+     500          0.5        1        0 
+     600          0.6        1        0 
+     700          0.7        2        0 
+     800          0.8        2        0 
+     900          0.9        2        0 
+    1000            1        3        0 
+    1100          1.1        3        0 
+    1200          1.2        3        0 
+    1300          1.3        4        0 
+    1400          1.4        4        0 
+    1500          1.5        5        0 
+    1600          1.6        5        0 
+    1700          1.7        5        0 
+    1800          1.8        6        0 
+    1900          1.9        6        0 
+    2000            2        6        0 
+    2100          2.1        7        0 
+    2200          2.2        7        0 
+    2300          2.3        7        0 
+    2400          2.4        8        0 
+    2500          2.5        8        0 
+    2600          2.6        8        0 
+    2700          2.7        9        0 
+    2800          2.8        9        0 
+    2900          2.9        9        0 
+    3000            3        9        0 
+    3100          3.1       10        0 
+    3200          3.2       10        0 
+    3300          3.3       10        0 
+    3400          3.4       11        0 
+    3500          3.5       11        0 
+    3600          3.6       11        0 
+    3700          3.7       12        0 
+    3800          3.8       12        0 
+    3900          3.9       12        0 
+    4000            4       13        0 
+    4100          4.1       13        0 
+    4200          4.2       13        0 
+    4300          4.3       14        0 
+    4400          4.4       14        0 
+    4500          4.5       15        0 
+    4600          4.6       15        0 
+    4700          4.7       15        0 
+    4800          4.8       16        0 
+    4900          4.9       16        0 
+    5000            5       16        0 
+    5100          5.1       16        0 
+    5200          5.2       17        0 
+    5300          5.3       17        0 
+    5400          5.4       18        0 
+    5500          5.5       18        0 
+    5600          5.6       19        0 
+    5700          5.7       19        0 
+    5800          5.8       19        0 
+    5900          5.9       20        0 
+    6000            6       20        0 
+    6100          6.1       20        0 
+    6200          6.2       21        0 
+    6300          6.3       21        0 
+    6400          6.4       21        0 
+    6500          6.5       22        0 
+    6600          6.6       22        0 
+    6700          6.7       22        0 
+    6800          6.8       23        0 
+    6900          6.9       23        0 
+    7000            7       23        0 
+    7100          7.1       24        0 
+    7200          7.2       24        0 
+    7300          7.3       24        0 
+    7400          7.4       25        0 
+    7500          7.5       25        0 
+    7600          7.6       25        0 
+    7700          7.7       26        0 
+    7800          7.8       26        0 
+    7900          7.9       26        0 
+    8000            8       27        0 
+    8100          8.1       27        0 
+    8200          8.2       27        0 
+    8300          8.3       28        0 
+    8400          8.4       28        0 
+    8500          8.5       28        0 
+    8600          8.6       28        0 
+    8700          8.7       29        0 
+    8800          8.8       29        0 
+    8900          8.9       29        0 
+    9000            9       30        0 
+    9100          9.1       30        0 
+    9200          9.2       31        0 
+    9300          9.3       31        0 
+    9400          9.4       31        0 
+    9500          9.5       31        0 
+    9600          9.6       32        0 
+    9700          9.7       32        0 
+    9800          9.8       32        0 
+    9900          9.9       33        0 
+   10000           10       33        0 
+Loop time of 69.01 on 4 procs for 10000 steps with 900 atoms
+
+Performance: 12519931.275 ns/day, 0.000 hours/ns, 144.907 timesteps/s
+48.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 56.528     | 57.936     | 58.729     |  11.0 | 83.95
+Neigh   | 0.013157   | 0.013382   | 0.013551   |   0.1 |  0.02
+Comm    | 8.9594     | 9.7555     | 11.113     |  26.7 | 14.14
+Output  | 0.14644    | 0.15009    | 0.15809    |   1.2 |  0.22
+Modify  | 0.72913    | 0.91574    | 1.0524     |  12.4 |  1.33
+Other   |            | 0.2389     |            |       |  0.35
+
+Nlocal:    225 ave 229 max 223 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    442 ave 444 max 439 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    10188.8 ave 10437 max 9932 min
+Histogram: 1 0 0 1 0 0 0 1 0 1
+
+Total # of neighbors = 40755
+Ave neighs/atom = 45.2833
+Neighbor list builds = 33
+Dangerous builds = 0
+Total wall time: 0:01:09
diff --git a/examples/USER/sdpd/README b/examples/USER/sdpd/README
new file mode 100644
index 0000000000..72feff15dc
--- /dev/null
+++ b/examples/USER/sdpd/README
@@ -0,0 +1,24 @@
+Smoothed Dissipative Particle Dynamics examples
+
+equipartition-verification:
+  This example verifies the equipartition theorem.
+  It simulates a periodic box of water with no solid bodies.
+  If equipartition theorem holds true, the average of each component of
+  translational kinetic energy should be equal to k_B T, and therefore
+  vx_sq_check, vy_sq_check, and vz_sq_check should fluctuate near 1.
+
+2d-diffusion:
+  This example demonstrates the free diffusion of a disk in 2D.
+  The 3D simulation is similar but takes much longer to complete.
+  As with other statistical experiments you need an ensemble to
+  extract meaningful average quantities.
+  For a more realistic simulation you should increase the resolution
+  of the disk/sphere which also necessitates reduction of timestep.
+
+2d-diffusion-in-shear-flow:
+  This example demonstrates the diffusion of a disk in shear flow in 2D.
+  The 3D simulation is similar but takes much longer to complete.
+  As with other statistical experiments you need an ensemble to
+  extract meaningful average quantities.
+  For a more realistic simulation you should increase the resolution
+  of the disk/sphere which also necessitates reduction of timestep.
diff --git a/examples/USER/sdpd/equipartition-verification/in.lammps b/examples/USER/sdpd/equipartition-verification/in.lammps
new file mode 100644
index 0000000000..0d06723f59
--- /dev/null
+++ b/examples/USER/sdpd/equipartition-verification/in.lammps
@@ -0,0 +1,45 @@
+dimension       3
+units           micro
+atom_style      meso
+
+variable        a equal 0.1             # lattice spacing         micrometers
+variable        L equal $a*10
+variable        T equal 300.
+variable        kB equal 1.3806504e-8   # picogram-micrometer^2/(microsecond^2-Kelvin)
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 10.           # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.0          # kernel function cutoff    micrometers
+variable        mass equal $a*$a*$a*${rho_0}
+variable        dt equal 5e-4           # timestep                  microseconds
+variable        skin equal 0.1*$h
+
+region          box block -$L $L -$L $L -$L $L units box
+create_box      1 box
+lattice         sc $a
+
+create_atoms    1 box
+
+mass            * ${mass}
+set             group all meso/rho ${rho_0}
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+
+variable        vx_sq atom vx*vx
+variable        vy_sq atom vy*vy
+variable        vz_sq atom vz*vz
+compute         v_sq all reduce ave v_vx_sq v_vy_sq v_vz_sq
+variable        vx_sq_check equal c_v_sq[1]*${mass}/${kB}/$T
+variable        vy_sq_check equal c_v_sq[2]*${mass}/${kB}/$T
+variable        vz_sq_check equal c_v_sq[3]*${mass}/${kB}/$T
+
+fix             1 all meso
+
+neighbor        ${skin} bin
+timestep        ${dt}
+
+thermo          10
+thermo_style    custom step time v_vx_sq_check v_vy_sq_check v_vz_sq_check
+
+run             200
diff --git a/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.1 b/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.1
new file mode 100644
index 0000000000..06ffd699bc
--- /dev/null
+++ b/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.1
@@ -0,0 +1,146 @@
+LAMMPS (24 Oct 2018)
+dimension       3
+units           micro
+atom_style      meso
+
+variable        a equal 0.1             # lattice spacing         micrometers
+variable        L equal $a*10
+variable        L equal 0.1*10
+variable        T equal 300.
+variable        kB equal 1.3806504e-8   # picogram-micrometer^2/(microsecond^2-Kelvin)
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 10.           # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.0          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.0          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 5e-4           # timestep                  microseconds
+variable        skin equal 0.1*$h
+variable        skin equal 0.1*0.4
+
+region          box block -$L $L -$L $L -$L $L units box
+region          box block -1 $L -$L $L -$L $L units box
+region          box block -1 1 -$L $L -$L $L units box
+region          box block -1 1 -1 $L -$L $L units box
+region          box block -1 1 -1 1 -$L $L units box
+region          box block -1 1 -1 1 -1 $L units box
+region          box block -1 1 -1 1 -1 1 units box
+create_box      1 box
+Created orthogonal box = (-1 -1 -1) to (1 1 1)
+  1 by 1 by 1 MPI processor grid
+lattice         sc $a
+lattice         sc 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 8000 atoms
+  Time spent = 0.00285411 secs
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  8000 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 10 ${h}
+pair_coeff      * * 1 10 0.4
+
+variable        vx_sq atom vx*vx
+variable        vy_sq atom vy*vy
+variable        vz_sq atom vz*vz
+compute         v_sq all reduce ave v_vx_sq v_vy_sq v_vz_sq
+variable        vx_sq_check equal c_v_sq[1]*${mass}/${kB}/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/${kB}/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/300
+variable        vy_sq_check equal c_v_sq[2]*${mass}/${kB}/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/${kB}/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/300
+variable        vz_sq_check equal c_v_sq[3]*${mass}/${kB}/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/${kB}/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/300
+
+fix             1 all meso
+
+neighbor        ${skin} bin
+neighbor        0.04 bin
+timestep        ${dt}
+timestep        0.0005
+
+thermo          10
+thermo_style    custom step time v_vx_sq_check v_vy_sq_check v_vz_sq_check
+
+run             200
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.44
+  ghost atom cutoff = 0.44
+  binsize = 0.22, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 13.54 | 13.54 | 13.54 Mbytes
+Step Time v_vx_sq_check v_vy_sq_check v_vz_sq_check 
+       0            0            0            0            0 
+      10        0.005   0.70973271   0.71495693   0.71910087 
+      20         0.01   0.90418096   0.88845437   0.89659567 
+      30        0.015    0.9590736   0.97880338    0.9619016 
+      40         0.02   0.98533774   0.96057682   0.95600448 
+      50        0.025   0.96433662   0.96650071   0.95509683 
+      60         0.03   0.96598029   0.96373656   0.96734888 
+      70        0.035   0.95433045   0.98004764   0.96255924 
+      80         0.04   0.97872906   0.95987289   0.96623598 
+      90        0.045   0.99913888   0.99255731   0.95616142 
+     100         0.05   0.98872675   0.97141018   0.95338841 
+     110        0.055   0.97794592   0.97389258   0.98473719 
+     120         0.06   0.98389266   0.96716284   0.95504862 
+     130        0.065   0.98572886   0.96680923   0.95599065 
+     140         0.07   0.97602684   0.97580081    0.9886878 
+     150        0.075   0.99172003   0.95027467   0.96028033 
+     160         0.08   0.96793247   0.94590928   0.95644301 
+     170        0.085   0.94167619   0.98048861   0.93439426 
+     180         0.09   0.97277934   0.97383622   0.96900866 
+     190        0.095   0.96647288    1.0027643   0.96230782 
+     200          0.1   0.94864291   0.95902585   0.96398175 
+Loop time of 60.1095 on 1 procs for 200 steps with 8000 atoms
+
+Performance: 143737.595 ns/day, 0.000 hours/ns, 3.327 timesteps/s
+99.7% CPU use with 1 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 59.92      | 59.92      | 59.92      |   0.0 | 99.68
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.11154    | 0.11154    | 0.11154    |   0.0 |  0.19
+Output  | 0.0063498  | 0.0063498  | 0.0063498  |   0.0 |  0.01
+Modify  | 0.043546   | 0.043546   | 0.043546   |   0.0 |  0.07
+Other   |            | 0.02811    |            |       |  0.05
+
+Nlocal:    8000 ave 8000 max 8000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    16389 ave 16389 max 16389 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1.456e+06 ave 1.456e+06 max 1.456e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1456000
+Ave neighs/atom = 182
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:01:00
diff --git a/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.4 b/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.4
new file mode 100644
index 0000000000..88509f0fd1
--- /dev/null
+++ b/examples/USER/sdpd/equipartition-verification/log.24Oct18.equipartition.g++.4
@@ -0,0 +1,146 @@
+LAMMPS (24 Oct 2018)
+dimension       3
+units           micro
+atom_style      meso
+
+variable        a equal 0.1             # lattice spacing         micrometers
+variable        L equal $a*10
+variable        L equal 0.1*10
+variable        T equal 300.
+variable        kB equal 1.3806504e-8   # picogram-micrometer^2/(microsecond^2-Kelvin)
+variable        rho_0 equal 1.          # density                   picograms/micrometer^3
+variable        c_0 equal 10.           # speed of sound            micrometers/microsecond
+variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
+variable        h equal $a*4.0          # kernel function cutoff    micrometers
+variable        h equal 0.1*4.0          
+variable        mass equal $a*$a*$a*${rho_0}
+variable        mass equal 0.1*$a*$a*${rho_0}
+variable        mass equal 0.1*0.1*$a*${rho_0}
+variable        mass equal 0.1*0.1*0.1*${rho_0}
+variable        mass equal 0.1*0.1*0.1*1
+variable        dt equal 5e-4           # timestep                  microseconds
+variable        skin equal 0.1*$h
+variable        skin equal 0.1*0.4
+
+region          box block -$L $L -$L $L -$L $L units box
+region          box block -1 $L -$L $L -$L $L units box
+region          box block -1 1 -$L $L -$L $L units box
+region          box block -1 1 -1 $L -$L $L units box
+region          box block -1 1 -1 1 -$L $L units box
+region          box block -1 1 -1 1 -1 $L units box
+region          box block -1 1 -1 1 -1 1 units box
+create_box      1 box
+Created orthogonal box = (-1 -1 -1) to (1 1 1)
+  1 by 2 by 2 MPI processor grid
+lattice         sc $a
+lattice         sc 0.1
+Lattice spacing in x,y,z = 0.1 0.1 0.1
+
+create_atoms    1 box
+Created 8000 atoms
+  Time spent = 0.00252754 secs
+
+mass            * ${mass}
+mass            * 0.001
+set             group all meso/rho ${rho_0}
+set             group all meso/rho 1
+  8000 settings made for meso/rho
+
+pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
+pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
+pair_style      sdpd/taitwater/isothermal 300 1 76787    
+pair_coeff      * * ${rho_0} ${c_0} ${h}
+pair_coeff      * * 1 ${c_0} ${h}
+pair_coeff      * * 1 10 ${h}
+pair_coeff      * * 1 10 0.4
+
+variable        vx_sq atom vx*vx
+variable        vy_sq atom vy*vy
+variable        vz_sq atom vz*vz
+compute         v_sq all reduce ave v_vx_sq v_vy_sq v_vz_sq
+variable        vx_sq_check equal c_v_sq[1]*${mass}/${kB}/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/${kB}/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/$T
+variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/300
+variable        vy_sq_check equal c_v_sq[2]*${mass}/${kB}/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/${kB}/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/$T
+variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/300
+variable        vz_sq_check equal c_v_sq[3]*${mass}/${kB}/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/${kB}/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/$T
+variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/300
+
+fix             1 all meso
+
+neighbor        ${skin} bin
+neighbor        0.04 bin
+timestep        ${dt}
+timestep        0.0005
+
+thermo          10
+thermo_style    custom step time v_vx_sq_check v_vy_sq_check v_vz_sq_check
+
+run             200
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0.44
+  ghost atom cutoff = 0.44
+  binsize = 0.22, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sdpd/taitwater/isothermal, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.795 | 5.795 | 5.795 Mbytes
+Step Time v_vx_sq_check v_vy_sq_check v_vz_sq_check 
+       0            0            0            0            0 
+      10        0.005   0.71224819   0.71470372    0.7008956 
+      20         0.01   0.90627589   0.90683966   0.90116506 
+      30        0.015     0.938505   0.95884272   0.93337542 
+      40         0.02   0.94394649   0.93668038   0.96468004 
+      50        0.025   0.97152309   0.97546161   0.95107762 
+      60         0.03   0.94710871   0.95678322   0.97285504 
+      70        0.035   0.96253148   0.95838642   0.95450883 
+      80         0.04   0.97581495   0.95278681   0.95099478 
+      90        0.045   0.96251614    0.9740684   0.96081505 
+     100         0.05   0.94191275   0.97137523   0.94084858 
+     110        0.055     0.953406   0.95739684   0.98574522 
+     120         0.06   0.99001614   0.99608287    0.9839996 
+     130        0.065   0.96575225   0.94309655   0.92847798 
+     140         0.07   0.97642687   0.97458638   0.94696406 
+     150        0.075   0.99316381   0.96876814   0.95440106 
+     160         0.08   0.94589744   0.95264791   0.95495169 
+     170        0.085   0.97599092   0.95336014   0.97687718 
+     180         0.09   0.97214242    0.9726305    0.9726035 
+     190        0.095   0.97577583   0.96523645    0.9756968 
+     200          0.1   0.96386053   0.97268854   0.94582436 
+Loop time of 32.5247 on 4 procs for 200 steps with 8000 atoms
+
+Performance: 265644.515 ns/day, 0.000 hours/ns, 6.149 timesteps/s
+73.9% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 27.385     | 28.409     | 28.761     |  11.1 | 87.34
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 3.582      | 3.9343     | 4.9531     |  29.7 | 12.10
+Output  | 0.022267   | 0.026073   | 0.033141   |   2.7 |  0.08
+Modify  | 0.031714   | 0.033134   | 0.034367   |   0.6 |  0.10
+Other   |            | 0.1226     |            |       |  0.38
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    8469 ave 8469 max 8469 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    364000 ave 376628 max 351184 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+
+Total # of neighbors = 1456000
+Ave neighs/atom = 182
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:32
diff --git a/src/Depend.sh b/src/Depend.sh
index a3f4e49667..b7ee740c52 100755
--- a/src/Depend.sh
+++ b/src/Depend.sh
@@ -107,6 +107,7 @@ fi
 
 if (test $1 = "RIGID") then
   depend USER-OMP
+  depend USER-SDPD
 fi
 
 if (test $1 = "SNAP") then
diff --git a/src/USER-SDPD/Install.sh b/src/USER-SDPD/Install.sh
new file mode 100644
index 0000000000..cc4af1c038
--- /dev/null
+++ b/src/USER-SDPD/Install.sh
@@ -0,0 +1,37 @@
+# Install/Uninstall package files in LAMMPS
+# mode = 0/1/2 for uninstall/install/update
+
+mode=$1
+
+# enforce using portable C locale
+LC_ALL=C
+export LC_ALL
+
+# arg1 = file, arg2 = file it depends on
+
+action () {
+  if (test $mode = 0) then
+    rm -f ../$1
+  elif (! cmp -s $1 ../$1) then
+    if (test -z "$2" || test -e ../$2) then
+      cp $1 ..
+      if (test $mode = 2) then
+        echo "  updating src/$1"
+      fi
+    fi
+  elif (test -n "$2") then
+    if (test ! -e ../$2) then
+      rm -f ../$1
+    fi
+  fi
+}
+
+# package files without dependencies
+action pair_sdpd_taitwater_isothermal.h
+action pair_sdpd_taitwater_isothermal.cpp
+action fix_meso_move.h
+action fix_meso_move.cpp
+
+# package files with dependencies
+action fix_rigid_meso.h   fix_rigid.h
+action fix_rigid_meso.cpp fix_rigid.h
diff --git a/src/USER-SDPD/README b/src/USER-SDPD/README
new file mode 100644
index 0000000000..88ece7ddbf
--- /dev/null
+++ b/src/USER-SDPD/README
@@ -0,0 +1,13 @@
+This package implements the Smoothed Dissipative Particle Dynamics (SDPD)
+method for modelling fluids at mesoscale and diffusion of colloids.
+Currently it adds pair style sdpd/taitwater/isothermal for modelling water
+at isothermal conditions using the Tait equation of state.
+It also adds fix meso/move command to move mesoscopic SPH/SDPD particles with
+prescribed velocity and fix rigid/meso command to integrate rigid bodies
+composed of mesoscopic SPH/SDPD particles.
+
+Creator of this package is:
+
+Morteza Jalalvand
+Institute for Advanced Studies in Basic Sciences
+jalalvand.m AT gmail DOT com
diff --git a/src/USER-SDPD/fix_meso_move.cpp b/src/USER-SDPD/fix_meso_move.cpp
new file mode 100644
index 0000000000..3e2902d0cc
--- /dev/null
+++ b/src/USER-SDPD/fix_meso_move.cpp
@@ -0,0 +1,998 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author:
+      Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
+------------------------------------------------------------------------- */
+
+#include "string.h"
+#include "math.h"
+#include "fix_meso_move.h"
+#include "atom.h"
+#include "group.h"
+#include "update.h"
+#include "modify.h"
+#include "force.h"
+#include "domain.h"
+#include "lattice.h"
+#include "comm.h"
+#include "input.h"
+#include "variable.h"
+#include "math_const.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace MathConst;
+
+enum{LINEAR,WIGGLE,ROTATE,VARIABLE};
+enum{EQUAL,ATOM};
+
+/* ---------------------------------------------------------------------- */
+
+FixMesoMove::FixMesoMove (LAMMPS *lmp, int narg, char **arg) :
+  Fix(lmp, narg, arg),
+  xvarstr(NULL), yvarstr(NULL), zvarstr(NULL),
+  vxvarstr(NULL), vyvarstr(NULL), vzvarstr(NULL),
+  xoriginal(NULL), displace(NULL), velocity(NULL) {
+  if ((atom->e_flag != 1) || (atom->rho_flag != 1))
+    error->all(FLERR,
+        "fix meso/move command requires atom_style with both energy and density");
+
+  if (narg < 4) error->all(FLERR,"Illegal fix meso/move command");
+
+  restart_global = 1;
+  restart_peratom = 1;
+  peratom_flag = 1;
+  size_peratom_cols = 3;
+  peratom_freq = 1;
+  time_integrate = 1;
+  create_attribute = 1;
+  displaceflag = 0;
+  velocityflag = 0;
+  maxatom = 0;
+
+  // parse args
+
+  int iarg;
+
+  if (strcmp(arg[3],"linear") == 0) {
+    if (narg < 7) error->all(FLERR,"Illegal fix meso/move command");
+    iarg = 7;
+    mstyle = LINEAR;
+    if (strcmp(arg[4],"NULL") == 0) vxflag = 0;
+    else {
+      vxflag = 1;
+      vx = force->numeric(FLERR,arg[4]);
+    }
+    if (strcmp(arg[5],"NULL") == 0) vyflag = 0;
+    else {
+      vyflag = 1;
+      vy = force->numeric(FLERR,arg[5]);
+    }
+    if (strcmp(arg[6],"NULL") == 0) vzflag = 0;
+    else {
+      vzflag = 1;
+      vz = force->numeric(FLERR,arg[6]);
+    }
+
+  } else if (strcmp(arg[3],"wiggle") == 0) {
+    if (narg < 8) error->all(FLERR,"Illegal fix meso/move command");
+    iarg = 8;
+    mstyle = WIGGLE;
+    if (strcmp(arg[4],"NULL") == 0) axflag = 0;
+    else {
+      axflag = 1;
+      ax = force->numeric(FLERR,arg[4]);
+    }
+    if (strcmp(arg[5],"NULL") == 0) ayflag = 0;
+    else {
+      ayflag = 1;
+      ay = force->numeric(FLERR,arg[5]);
+    }
+    if (strcmp(arg[6],"NULL") == 0) azflag = 0;
+    else {
+      azflag = 1;
+      az = force->numeric(FLERR,arg[6]);
+    }
+    period = force->numeric(FLERR,arg[7]);
+    if (period <= 0.0) error->all(FLERR,"Illegal fix meso/move command");
+
+  } else if (strcmp(arg[3],"rotate") == 0) {
+    if (narg < 11) error->all(FLERR,"Illegal fix meso/move command");
+    iarg = 11;
+    mstyle = ROTATE;
+    point[0] = force->numeric(FLERR,arg[4]);
+    point[1] = force->numeric(FLERR,arg[5]);
+    point[2] = force->numeric(FLERR,arg[6]);
+    axis[0] = force->numeric(FLERR,arg[7]);
+    axis[1] = force->numeric(FLERR,arg[8]);
+    axis[2] = force->numeric(FLERR,arg[9]);
+    period = force->numeric(FLERR,arg[10]);
+    if (period <= 0.0) error->all(FLERR,"Illegal fix meso/move command");
+
+  } else if (strcmp(arg[3],"variable") == 0) {
+    if (narg < 10) error->all(FLERR,"Illegal fix meso/move command");
+    iarg = 10;
+    mstyle = VARIABLE;
+    if (strcmp(arg[4],"NULL") == 0) xvarstr = NULL;
+    else if (strstr(arg[4],"v_") == arg[4]) {
+      int n = strlen(&arg[4][2]) + 1;
+      xvarstr = new char[n];
+      strcpy(xvarstr,&arg[4][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+    if (strcmp(arg[5],"NULL") == 0) yvarstr = NULL;
+    else if (strstr(arg[5],"v_") == arg[5]) {
+      int n = strlen(&arg[5][2]) + 1;
+      yvarstr = new char[n];
+      strcpy(yvarstr,&arg[5][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+    if (strcmp(arg[6],"NULL") == 0) zvarstr = NULL;
+    else if (strstr(arg[6],"v_") == arg[6]) {
+      int n = strlen(&arg[6][2]) + 1;
+      zvarstr = new char[n];
+      strcpy(zvarstr,&arg[6][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+    if (strcmp(arg[7],"NULL") == 0) vxvarstr = NULL;
+    else if (strstr(arg[7],"v_") == arg[7]) {
+      int n = strlen(&arg[7][2]) + 1;
+      vxvarstr = new char[n];
+      strcpy(vxvarstr,&arg[7][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+    if (strcmp(arg[8],"NULL") == 0) vyvarstr = NULL;
+    else if (strstr(arg[8],"v_") == arg[8]) {
+      int n = strlen(&arg[8][2]) + 1;
+      vyvarstr = new char[n];
+      strcpy(vyvarstr,&arg[8][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+    if (strcmp(arg[9],"NULL") == 0) vzvarstr = NULL;
+    else if (strstr(arg[9],"v_") == arg[9]) {
+      int n = strlen(&arg[9][2]) + 1;
+      vzvarstr = new char[n];
+      strcpy(vzvarstr,&arg[9][2]);
+    } else error->all(FLERR,"Illegal fix meso/move command");
+
+  } else error->all(FLERR,"Illegal fix meso/move command");
+
+  // optional args
+
+  int scaleflag = 1;
+
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"units") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix meso/move command");
+      if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
+      else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
+      else error->all(FLERR,"Illegal fix meso/move command");
+      iarg += 2;
+    } else error->all(FLERR,"Illegal fix meso/move command");
+  }
+
+  // error checks and warnings
+
+  if (domain->dimension == 2) {
+    if (mstyle == LINEAR && vzflag && vz != 0.0)
+      error->all(FLERR,"Fix meso/move cannot set linear z motion for 2d problem");
+    if (mstyle == WIGGLE && azflag && az != 0.0)
+      error->all(FLERR,"Fix meso/move cannot set wiggle z motion for 2d problem");
+    if (mstyle == ROTATE && (axis[0] != 0.0 || axis[1] != 0.0))
+      error->all(FLERR, "Fix meso/move cannot rotate aroung non z-axis for 2d problem");
+    if (mstyle == VARIABLE && (zvarstr || vzvarstr))
+      error->all(FLERR, "Fix meso/move cannot define z or vz variable for 2d problem");
+  }
+
+  // setup scaling and apply scaling factors to velocity & amplitude
+
+  if ((mstyle == LINEAR || mstyle == WIGGLE || mstyle == ROTATE) &&
+      scaleflag) {
+    double xscale = domain->lattice->xlattice;
+    double yscale = domain->lattice->ylattice;
+    double zscale = domain->lattice->zlattice;
+
+    if (mstyle == LINEAR) {
+      if (vxflag) vx *= xscale;
+      if (vyflag) vy *= yscale;
+      if (vzflag) vz *= zscale;
+    } else if (mstyle == WIGGLE) {
+      if (axflag) ax *= xscale;
+      if (ayflag) ay *= yscale;
+      if (azflag) az *= zscale;
+    } else if (mstyle == ROTATE) {
+      point[0] *= xscale;
+      point[1] *= yscale;
+      point[2] *= zscale;
+    }
+  }
+
+  // set omega_rotate from period
+
+  if (mstyle == WIGGLE || mstyle == ROTATE) omega_rotate = MY_2PI / period;
+
+  // runit = unit vector along rotation axis
+
+  if (mstyle == ROTATE) {
+    double len = sqrt(axis[0]*axis[0] + axis[1]*axis[1] + axis[2]*axis[2]);
+    if (len == 0.0)
+      error->all(FLERR,"Zero length rotation vector with fix meso/move");
+    runit[0] = axis[0]/len;
+    runit[1] = axis[1]/len;
+    runit[2] = axis[2]/len;
+  }
+
+  // perform initial allocation of atom-based array
+  // register with Atom class
+
+  grow_arrays(atom->nmax);
+  atom->add_callback(0);
+  atom->add_callback(1);
+
+  displace = velocity = NULL;
+
+  // xoriginal = initial unwrapped positions of atoms
+
+  double **x = atom->x;
+  imageint *image = atom->image;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  for (int i = 0; i < nlocal; i++) {
+    if (mask[i] & groupbit) domain->unmap(x[i],image[i],xoriginal[i]);
+    else xoriginal[i][0] = xoriginal[i][1] = xoriginal[i][2] = 0.0;
+  }
+
+  time_origin = update->ntimestep;
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixMesoMove::~FixMesoMove () {
+  // unregister callbacks to this fix from Atom class
+
+  atom->delete_callback(id,0);
+  atom->delete_callback(id,1);
+
+  // delete locally stored arrays
+
+  memory->destroy(xoriginal);
+  memory->destroy(displace);
+  memory->destroy(velocity);
+
+  delete [] xvarstr;
+  delete [] yvarstr;
+  delete [] zvarstr;
+  delete [] vxvarstr;
+  delete [] vyvarstr;
+  delete [] vzvarstr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixMesoMove::setmask () {
+  int mask = 0;
+  mask |= INITIAL_INTEGRATE;
+  mask |= FINAL_INTEGRATE;
+  mask |= PRE_FORCE;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixMesoMove::init () {
+  dt = update->dt;
+  dtv = update->dt;
+  dtf = 0.5 * update->dt * force->ftm2v;
+
+  // set indices and style of all variables
+
+  displaceflag = velocityflag = 0;
+
+  if (mstyle == VARIABLE) {
+    if (xvarstr) {
+      xvar = input->variable->find(xvarstr);
+      if (xvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(xvar)) xvarstyle = EQUAL;
+      else if (input->variable->atomstyle(xvar)) xvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+    if (yvarstr) {
+      yvar = input->variable->find(yvarstr);
+      if (yvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(yvar)) yvarstyle = EQUAL;
+      else if (input->variable->atomstyle(yvar)) yvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+    if (zvarstr) {
+      zvar = input->variable->find(zvarstr);
+      if (zvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(zvar)) zvarstyle = EQUAL;
+      else if (input->variable->atomstyle(zvar)) zvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+    if (vxvarstr) {
+      vxvar = input->variable->find(vxvarstr);
+      if (vxvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(vxvar)) vxvarstyle = EQUAL;
+      else if (input->variable->atomstyle(vxvar)) vxvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+    if (vyvarstr) {
+      vyvar = input->variable->find(vyvarstr);
+      if (vyvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(vyvar)) vyvarstyle = EQUAL;
+      else if (input->variable->atomstyle(vyvar)) vyvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+    if (vzvarstr) {
+      vzvar = input->variable->find(vzvarstr);
+      if (vzvar < 0) error->all(FLERR, "Variable name for fix meso/move does not exist");
+      if (input->variable->equalstyle(vzvar)) vzvarstyle = EQUAL;
+      else if (input->variable->atomstyle(vzvar)) vzvarstyle = ATOM;
+      else error->all(FLERR,"Variable for fix meso/move is invalid style");
+    }
+
+    if (xvarstr && xvarstyle == ATOM) displaceflag = 1;
+    if (yvarstr && yvarstyle == ATOM) displaceflag = 1;
+    if (zvarstr && zvarstyle == ATOM) displaceflag = 1;
+    if (vxvarstr && vxvarstyle == ATOM) velocityflag = 1;
+    if (vyvarstr && vyvarstyle == ATOM) velocityflag = 1;
+    if (vzvarstr && vzvarstyle == ATOM) velocityflag = 1;
+  }
+
+  maxatom = atom->nmax;
+  memory->destroy(displace);
+  memory->destroy(velocity);
+  if (displaceflag) memory->create(displace,maxatom,3,"move:displace");
+  else displace = NULL;
+  if (velocityflag) memory->create(velocity,maxatom,3,"move:velocity");
+  else velocity = NULL;
+}
+
+void FixMesoMove::setup_pre_force (int /*vflag*/) {
+  // set vest equal to v 
+  double **v = atom->v;
+  double **vest = atom->vest;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  if (igroup == atom->firstgroup)
+    nlocal = atom->nfirst;
+
+  for (int i = 0; i < nlocal; i++) {
+    if (mask[i] & groupbit) {
+      vest[i][0] = v[i][0];
+      vest[i][1] = v[i][1];
+      vest[i][2] = v[i][2];
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set x,v of particles
+------------------------------------------------------------------------- */
+
+void FixMesoMove::initial_integrate (int /*vflag*/) {
+  double ddotr,dx,dy,dz;
+  double dtfm;
+  double xold[3],a[3],b[3],c[3],d[3],disp[3],disp_next[3];
+
+  double delta = (update->ntimestep - time_origin) * dt;
+  double delta_next = (update->ntimestep - time_origin + 1) * dt;
+
+  double **x = atom->x;
+  double **v = atom->v;
+  double **vest = atom->vest;
+  double *rho = atom->rho;
+  double *drho = atom->drho;
+  double *e = atom->e;
+  double *de = atom->de;
+  double **f = atom->f;
+  double **omega = atom->omega;
+  double *rmass = atom->rmass;
+  double *mass = atom->mass;
+  int *type = atom->type;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int rmass_flag = atom->rmass_flag;
+
+  if (igroup == atom->firstgroup)
+    nlocal = atom->nfirst;
+
+  // for linear: X = X0 + V*dt
+
+  if (mstyle == LINEAR) {
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        xold[0] = x[i][0];
+        xold[1] = x[i][1];
+        xold[2] = x[i][2];
+
+        e[i] += dtf * de[i]; // half-step update of particle internal energy
+        rho[i] += dtf * drho[i]; // ... and density
+
+        if (vxflag) {
+          vest[i][0] = v[i][0] = vx;
+          x[i][0] = xoriginal[i][0] + vx*delta;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][0] = v[i][0] + 2.0 * dtfm * f[i][0];
+          v[i][0] += dtfm * f[i][0];
+          x[i][0] += dtv * v[i][0];
+        }
+
+        if (vyflag) {
+          vest[i][1] = v[i][1] = vy;
+          x[i][1] = xoriginal[i][1] + vy*delta;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][1] = v[i][1] + 2.0 * dtfm * f[i][1];
+          v[i][1] += dtfm * f[i][1];
+          x[i][1] += dtv * v[i][1];
+        }
+
+        if (vzflag) {
+          vest[i][2] = v[i][2] = vz;
+          x[i][2] = xoriginal[i][2] + vz*delta;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][2] = v[i][2] + 2.0 * dtfm * f[i][2];
+          v[i][2] += dtfm * f[i][2];
+          x[i][2] += dtv * v[i][2];
+        }
+
+        domain->remap_near(x[i],xold);
+      }
+    }
+
+  // for wiggle: X = X0 + A sin(w*dt)
+
+  } else if (mstyle == WIGGLE) {
+    double arg = omega_rotate * delta;
+    double arg_next = omega_rotate * delta_next;
+    double sine = sin(arg);
+    double cosine = cos(arg);
+    double cosine_next = cos(arg_next);
+
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        xold[0] = x[i][0];
+        xold[1] = x[i][1];
+        xold[2] = x[i][2];
+
+        e[i] += dtf * de[i]; // half-step update of particle internal energy
+        rho[i] += dtf * drho[i]; // ... and density
+
+        if (axflag) {
+          v[i][0] = ax*omega_rotate*cosine;
+          vest[i][0] = ax*omega_rotate*cosine_next;
+          x[i][0] = xoriginal[i][0] + ax*sine;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][0] = v[i][0] + 2.0 * dtfm * f[i][0];
+          v[i][0] += dtfm * f[i][0];
+          x[i][0] += dtv * v[i][0];
+        }
+
+        if (ayflag) {
+          v[i][1] = ay*omega_rotate*cosine;
+          vest[i][1] = ay*omega_rotate*cosine_next;
+          x[i][1] = xoriginal[i][1] + ay*sine;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][1] = v[i][1] + 2.0 * dtfm * f[i][1];
+          v[i][1] += dtfm * f[i][1];
+          x[i][1] += dtv * v[i][1];
+        }
+
+        if (azflag) {
+          v[i][2] = az*omega_rotate*cosine;
+          vest[i][2] = az*omega_rotate*cosine_next;
+          x[i][2] = xoriginal[i][2] + az*sine;
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][2] = v[i][2] + 2.0 * dtfm * f[i][2];
+          v[i][2] += dtfm * f[i][2];
+          x[i][2] += dtv * v[i][2];
+        }
+
+        domain->remap_near(x[i],xold);
+      }
+    }
+
+  // for rotate by right-hand rule around omega:
+  // P = point = vector = point of rotation
+  // R = vector = axis of rotation
+  // w = omega of rotation (from period)
+  // X0 = xoriginal = initial coord of atom
+  // R0 = runit = unit vector for R
+  // D = X0 - P = vector from P to X0
+  // C = (D dot R0) R0 = projection of atom coord onto R line
+  // A = D - C = vector from R line to X0
+  // B = R0 cross A = vector perp to A in plane of rotation
+  // A,B define plane of circular rotation around R line
+  // X = P + C + A cos(w*dt) + B sin(w*dt)
+  // V = w R0 cross (A cos(w*dt) + B sin(w*dt))
+
+  } else if (mstyle == ROTATE) {
+    double arg = omega_rotate * delta;
+    double arg_next = omega_rotate * delta_next;
+    double sine = sin(arg);
+    double cosine = cos(arg);
+    double sine_next = sin(arg_next);
+    double cosine_next = cos(arg_next);
+
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        xold[0] = x[i][0];
+        xold[1] = x[i][1];
+        xold[2] = x[i][2];
+
+        e[i] += dtf * de[i]; // half-step update of particle internal energy
+        rho[i] += dtf * drho[i]; // ... and density
+
+        d[0] = xoriginal[i][0] - point[0];
+        d[1] = xoriginal[i][1] - point[1];
+        d[2] = xoriginal[i][2] - point[2];
+        ddotr = d[0]*runit[0] + d[1]*runit[1] + d[2]*runit[2];
+        c[0] = ddotr*runit[0];
+        c[1] = ddotr*runit[1];
+        c[2] = ddotr*runit[2];
+        a[0] = d[0] - c[0];
+        a[1] = d[1] - c[1];
+        a[2] = d[2] - c[2];
+        b[0] = runit[1]*a[2] - runit[2]*a[1];
+        b[1] = runit[2]*a[0] - runit[0]*a[2];
+        b[2] = runit[0]*a[1] - runit[1]*a[0];
+        disp[0] = a[0]*cosine  + b[0]*sine;
+        disp[1] = a[1]*cosine  + b[1]*sine;
+        disp[2] = a[2]*cosine  + b[2]*sine;
+        disp_next[0] = a[0]*cosine_next  + b[0]*sine_next;
+        disp_next[1] = a[1]*cosine_next  + b[1]*sine_next;
+        disp_next[2] = a[2]*cosine_next  + b[2]*sine_next;
+
+        x[i][0] = point[0] + c[0] + disp[0];
+        x[i][1] = point[1] + c[1] + disp[1];
+        x[i][2] = point[2] + c[2] + disp[2];
+        v[i][0] = omega_rotate * (runit[1]*disp[2] - runit[2]*disp[1]);
+        v[i][1] = omega_rotate * (runit[2]*disp[0] - runit[0]*disp[2]);
+        v[i][2] = omega_rotate * (runit[0]*disp[1] - runit[1]*disp[0]);
+        vest[i][0] = omega_rotate * (runit[1]*disp_next[2] - runit[2]*disp_next[1]);
+        vest[i][1] = omega_rotate * (runit[2]*disp_next[0] - runit[0]*disp_next[2]);
+        vest[i][2] = omega_rotate * (runit[0]*disp_next[1] - runit[1]*disp_next[0]);
+
+        domain->remap_near(x[i],xold);
+      }
+    }
+
+  // for variable: compute x,v from variables
+
+  } else if (mstyle == VARIABLE) {
+
+    // reallocate displace and velocity arrays as necessary
+
+    if ((displaceflag || velocityflag) && atom->nmax > maxatom) {
+      maxatom = atom->nmax;
+      if (displaceflag) {
+        memory->destroy(displace);
+        memory->create(displace,maxatom,3,"move:displace");
+      }
+      if (velocityflag) {
+        memory->destroy(velocity);
+        memory->create(velocity,maxatom,3,"move:velocity");
+      }
+    }
+
+    // pre-compute variable values, wrap with clear/add
+
+    modify->clearstep_compute();
+
+    if (xvarstr) {
+      if (xvarstyle == EQUAL) dx = input->variable->compute_equal(xvar);
+      else input->variable->compute_atom(xvar,igroup,&displace[0][0],3,0);
+    }
+    if (yvarstr) {
+      if (yvarstyle == EQUAL) dy = input->variable->compute_equal(yvar);
+      else input->variable->compute_atom(yvar,igroup,&displace[0][1],3,0);
+    }
+    if (zvarstr) {
+      if (zvarstyle == EQUAL) dz = input->variable->compute_equal(zvar);
+      else input->variable->compute_atom(zvar,igroup,&displace[0][2],3,0);
+    }
+    if (vxvarstr) {
+      if (vxvarstyle == EQUAL) vx = input->variable->compute_equal(vxvar);
+      else input->variable->compute_atom(vxvar,igroup,&velocity[0][0],3,0);
+    }
+    if (vyvarstr) {
+      if (vyvarstyle == EQUAL) vy = input->variable->compute_equal(vyvar);
+      else input->variable->compute_atom(vyvar,igroup,&velocity[0][1],3,0);
+    }
+    if (vzvarstr) {
+      if (vzvarstyle == EQUAL) vz = input->variable->compute_equal(vzvar);
+      else input->variable->compute_atom(vzvar,igroup,&velocity[0][2],3,0);
+    }
+
+    modify->addstep_compute(update->ntimestep + 1);
+
+    // update x,v
+    // vest (velocity in next step) could be different from v in the next
+    // step, but this is the best we could do
+
+    for (int i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        xold[0] = x[i][0];
+        xold[1] = x[i][1];
+        xold[2] = x[i][2];
+
+        if (xvarstr && vxvarstr) {
+          if (vxvarstyle == EQUAL) {
+            vest[i][0] = 2*vx - v[i][0];
+            v[i][0] = vx;
+          }
+          else {
+            vest[i][0] = 2*velocity[i][0] - v[i][0];
+            v[i][0] = velocity[i][0];
+          }
+          if (xvarstyle == EQUAL) x[i][0] = xoriginal[i][0] + dx;
+          else x[i][0] = xoriginal[i][0] + displace[i][0];
+        } else if (xvarstr) {
+          if (xvarstyle == EQUAL) x[i][0] = xoriginal[i][0] + dx;
+          else x[i][0] = xoriginal[i][0] + displace[i][0];
+        } else if (vxvarstr) {
+          if (vxvarstyle == EQUAL) {
+            vest[i][0] = 2*vx - v[i][0];
+            v[i][0] = vx;
+          }
+          else {
+            vest[i][0] = 2*velocity[i][0] - v[i][0];
+            v[i][0] = velocity[i][0];
+          }
+          x[i][0] += dtv * v[i][0];
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][0] = v[i][0] + 2.0 * dtfm * f[i][0];
+          v[i][0] += dtfm * f[i][0];
+          x[i][0] += dtv * v[i][0];
+        }
+
+        if (yvarstr && vyvarstr) {
+          if (vyvarstyle == EQUAL) {
+            vest[i][1] = 2*vy - v[i][1];
+            v[i][1] = vy;
+          }
+          else {
+            vest[i][1] = 2*velocity[i][1] - v[i][1];
+            v[i][1] = velocity[i][1];
+          }
+          if (yvarstyle == EQUAL) x[i][1] = xoriginal[i][1] + dy;
+          else x[i][1] = xoriginal[i][1] + displace[i][1];
+        } else if (yvarstr) {
+          if (yvarstyle == EQUAL) x[i][1] = xoriginal[i][1] + dy;
+          else x[i][1] = xoriginal[i][1] + displace[i][1];
+        } else if (vyvarstr) {
+          if (vyvarstyle == EQUAL) {
+            vest[i][1] = 2*vy - v[i][1];
+            v[i][1] = vy;
+          }
+          else {
+            vest[i][1] = 2*velocity[i][1] - v[i][1];
+            v[i][1] = velocity[i][1];
+          }
+          x[i][1] += dtv * v[i][1];
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][1] = v[i][1] + 2.0 * dtfm * f[i][1];
+          v[i][1] += dtfm * f[i][1];
+          x[i][1] += dtv * v[i][1];
+        }
+
+        if (zvarstr && vzvarstr) {
+          if (vzvarstyle == EQUAL) {
+            vest[i][2] = 2*vz - v[i][2];
+            v[i][2] = vz;
+          }
+          else {
+            vest[i][2] = 2*velocity[i][2] - v[i][2];
+            v[i][2] = velocity[i][2];
+          }
+          if (zvarstyle == EQUAL) x[i][2] = xoriginal[i][2] + dz;
+          else x[i][2] = xoriginal[i][2] + displace[i][2];
+        } else if (zvarstr) {
+          if (zvarstyle == EQUAL) x[i][2] = xoriginal[i][2] + dz;
+          else x[i][2] = xoriginal[i][2] + displace[i][2];
+        } else if (vzvarstr) {
+          if (vzvarstyle == EQUAL) {
+            vest[i][2] = 2*vz - v[i][2];
+            v[i][2] = vz;
+          }
+          else {
+            vest[i][2] = 2*velocity[i][2] - v[i][2];
+            v[i][2] = velocity[i][2];
+          }
+          x[i][2] += dtv * v[i][2];
+        } else {
+          dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+          vest[i][2] = v[i][2] + 2.0 * dtfm * f[i][2];
+          v[i][2] += dtfm * f[i][2];
+          x[i][2] += dtv * v[i][2];
+        }
+
+        domain->remap_near(x[i],xold);
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   final NVE of particles with NULL components
+------------------------------------------------------------------------- */
+
+void FixMesoMove::final_integrate () {
+  double dtfm;
+
+  int xflag = 1;
+  if (mstyle == LINEAR && vxflag) xflag = 0;
+  else if (mstyle == WIGGLE && axflag) xflag = 0;
+  else if (mstyle == ROTATE) xflag = 0;
+  else if (mstyle == VARIABLE && (xvarstr || vxvarstr)) xflag = 0;
+
+  int yflag = 1;
+  if (mstyle == LINEAR && vyflag) yflag = 0;
+  else if (mstyle == WIGGLE && ayflag) yflag = 0;
+  else if (mstyle == ROTATE) yflag = 0;
+  else if (mstyle == VARIABLE && (yvarstr || vyvarstr)) yflag = 0;
+
+  int zflag = 1;
+  if (mstyle == LINEAR && vzflag) zflag = 0;
+  else if (mstyle == WIGGLE && azflag) zflag = 0;
+  else if (mstyle == ROTATE) zflag = 0;
+  else if (mstyle == VARIABLE && (zvarstr || vzvarstr)) zflag = 0;
+
+  double **v = atom->v;
+  double **f = atom->f;
+  double *e = atom->e;
+  double *de = atom->de;
+  double *rho = atom->rho;
+  double *drho = atom->drho;
+  double *rmass = atom->rmass;
+  double *mass = atom->mass;
+  int *type = atom->type;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+  int rmass_flag = atom->rmass_flag;
+
+  if (igroup == atom->firstgroup)
+    nlocal = atom->nfirst;
+
+  for (int i = 0; i < nlocal; i++) {
+    if (mask[i] & groupbit) {
+      e[i] += dtf * de[i];
+      rho[i] += dtf * drho[i];
+
+      if (xflag) {
+        dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+        v[i][0] += dtfm * f[i][0];
+      }
+
+      if (yflag) {
+        dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+        v[i][1] += dtfm * f[i][1];
+      }
+
+      if (zflag) {
+        dtfm = rmass_flag ? dtf / rmass[i] : dtf / mass[type[i]];
+        v[i][2] += dtfm * f[i][2];
+      }
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based array
+------------------------------------------------------------------------- */
+
+double FixMesoMove::memory_usage () {
+  double bytes = atom->nmax*3 * sizeof(double);
+  if (displaceflag) bytes += atom->nmax*3 * sizeof(double);
+  if (velocityflag) bytes += atom->nmax*3 * sizeof(double);
+  return bytes;
+}
+
+/* ----------------------------------------------------------------------
+   pack entire state of Fix into one write
+------------------------------------------------------------------------- */
+
+void FixMesoMove::write_restart (FILE *fp) {
+  int n = 0;
+  double list[1];
+  list[n++] = time_origin;
+
+  if (comm->me == 0) {
+    int size = n * sizeof(double);
+    fwrite(&size,sizeof(int),1,fp);
+    fwrite(list,sizeof(double),n,fp);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   use state info from restart file to restart the Fix
+------------------------------------------------------------------------- */
+
+void FixMesoMove::restart (char *buf) {
+  int n = 0;
+  double *list = (double *) buf;
+
+  time_origin = static_cast<int> (list[n++]);
+}
+
+/* ----------------------------------------------------------------------
+   allocate atom-based array
+------------------------------------------------------------------------- */
+
+void FixMesoMove::grow_arrays (int nmax) {
+  memory->grow(xoriginal,nmax,3,"move:xoriginal");
+  array_atom = xoriginal;
+}
+
+/* ----------------------------------------------------------------------
+   copy values within local atom-based array
+------------------------------------------------------------------------- */
+
+void FixMesoMove::copy_arrays (int i, int j, int /*delflag*/) {
+  xoriginal[j][0] = xoriginal[i][0];
+  xoriginal[j][1] = xoriginal[i][1];
+  xoriginal[j][2] = xoriginal[i][2];
+}
+
+/* ----------------------------------------------------------------------
+   initialize one atom's array values, called when atom is created
+------------------------------------------------------------------------- */
+
+void FixMesoMove::set_arrays (int i) {
+  double **x = atom->x;
+  imageint *image = atom->image;
+  int *mask = atom->mask;
+
+  // particle not in group
+
+  if (!(mask[i] & groupbit)) {
+    xoriginal[i][0] = xoriginal[i][1] = xoriginal[i][2] = 0.0;
+    return;
+  }
+
+  // current time still equal fix creation time
+
+  if (update->ntimestep == time_origin) {
+    domain->unmap(x[i],image[i],xoriginal[i]);
+    return;
+  }
+
+  // backup particle to time_origin
+
+  if (mstyle == VARIABLE)
+    error->all(FLERR,"Cannot add atoms to fix meso/move variable");
+
+  domain->unmap(x[i],image[i],xoriginal[i]);
+  double delta = (update->ntimestep - time_origin) * update->dt;
+
+  if (mstyle == LINEAR) {
+    if (vxflag) xoriginal[i][0] -= vx * delta;
+    if (vyflag) xoriginal[i][1] -= vy * delta;
+    if (vzflag) xoriginal[i][2] -= vz * delta;
+  } else if (mstyle == WIGGLE) {
+    double arg = omega_rotate * delta;
+    double sine = sin(arg);
+    if (axflag) xoriginal[i][0] -= ax*sine;
+    if (ayflag) xoriginal[i][1] -= ay*sine;
+    if (azflag) xoriginal[i][2] -= az*sine;
+  } else if (mstyle == ROTATE) {
+    double a[3],b[3],c[3],d[3],disp[3],ddotr;
+    double arg = - omega_rotate * delta;
+    double sine = sin(arg);
+    double cosine = cos(arg);
+    d[0] = x[i][0] - point[0];
+    d[1] = x[i][1] - point[1];
+    d[2] = x[i][2] - point[2];
+    ddotr = d[0]*runit[0] + d[1]*runit[1] + d[2]*runit[2];
+    c[0] = ddotr*runit[0];
+    c[1] = ddotr*runit[1];
+    c[2] = ddotr*runit[2];
+
+    a[0] = d[0] - c[0];
+    a[1] = d[1] - c[1];
+    a[2] = d[2] - c[2];
+    b[0] = runit[1]*a[2] - runit[2]*a[1];
+    b[1] = runit[2]*a[0] - runit[0]*a[2];
+    b[2] = runit[0]*a[1] - runit[1]*a[0];
+    disp[0] = a[0]*cosine  + b[0]*sine;
+    disp[1] = a[1]*cosine  + b[1]*sine;
+    disp[2] = a[2]*cosine  + b[2]*sine;
+
+    xoriginal[i][0] = point[0] + c[0] + disp[0];
+    xoriginal[i][1] = point[1] + c[1] + disp[1];
+    xoriginal[i][2] = point[2] + c[2] + disp[2];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   pack values in local atom-based array for exchange with another proc
+------------------------------------------------------------------------- */
+
+int FixMesoMove::pack_exchange (int i, double *buf) {
+  buf[0] = xoriginal[i][0];
+  buf[1] = xoriginal[i][1];
+  buf[2] = xoriginal[i][2];
+  return 3;
+}
+
+/* ----------------------------------------------------------------------
+   unpack values in local atom-based array from exchange with another proc
+------------------------------------------------------------------------- */
+
+int FixMesoMove::unpack_exchange (int nlocal, double *buf) {
+  xoriginal[nlocal][0] = buf[0];
+  xoriginal[nlocal][1] = buf[1];
+  xoriginal[nlocal][2] = buf[2];
+  return 3;
+}
+
+/* ----------------------------------------------------------------------
+   pack values in local atom-based arrays for restart file
+------------------------------------------------------------------------- */
+
+int FixMesoMove::pack_restart (int i, double *buf) {
+  buf[0] = 4;
+  buf[1] = xoriginal[i][0];
+  buf[2] = xoriginal[i][1];
+  buf[3] = xoriginal[i][2];
+  return 4;
+}
+
+/* ----------------------------------------------------------------------
+   unpack values from atom->extra array to restart the fix
+------------------------------------------------------------------------- */
+
+void FixMesoMove::unpack_restart (int nlocal, int nth) {
+  double **extra = atom->extra;
+
+  // skip to Nth set of extra values
+
+  int m = 0;
+  for (int i = 0; i < nth; i++) m += static_cast<int> (extra[nlocal][m]);
+  m++;
+
+  xoriginal[nlocal][0] = extra[nlocal][m++];
+  xoriginal[nlocal][1] = extra[nlocal][m++];
+  xoriginal[nlocal][2] = extra[nlocal][m++];
+}
+
+/* ----------------------------------------------------------------------
+   maxsize of any atom's restart data
+------------------------------------------------------------------------- */
+
+int FixMesoMove::maxsize_restart () {
+  return 4;
+}
+
+/* ----------------------------------------------------------------------
+   size of atom nlocal's restart data
+------------------------------------------------------------------------- */
+
+int FixMesoMove::size_restart (int nlocal) {
+  return 4;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixMesoMove::reset_dt () {
+  error->all(FLERR,"Resetting timestep size is not allowed with fix meso/move");
+}
diff --git a/src/USER-SDPD/fix_meso_move.h b/src/USER-SDPD/fix_meso_move.h
new file mode 100644
index 0000000000..a5e213ba81
--- /dev/null
+++ b/src/USER-SDPD/fix_meso_move.h
@@ -0,0 +1,127 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(meso/move,FixMesoMove)
+
+#else
+
+#ifndef LMP_FIX_MESO_MOVE_H
+#define LMP_FIX_MESO_MOVE_H
+
+#include "fix.h"
+
+namespace LAMMPS_NS {
+
+class FixMesoMove : public Fix {
+ public:
+  FixMesoMove (class LAMMPS *, int, char **);
+  ~FixMesoMove ();
+  int setmask ();
+  void init ();
+  void setup_pre_force (int);
+  void initial_integrate (int);
+  void final_integrate ();
+
+  double memory_usage ();
+  void write_restart (FILE *);
+  void restart (char *);
+  void grow_arrays (int);
+  void copy_arrays (int, int, int);
+  void set_arrays (int);
+  int pack_exchange (int, double *);
+  int unpack_exchange (int, double *);
+  int pack_restart (int, double *);
+  void unpack_restart (int, int);
+  int maxsize_restart ();
+  int size_restart (int);
+
+  void reset_dt ();
+
+ private:
+  char *xvarstr,*yvarstr,*zvarstr,*vxvarstr,*vyvarstr,*vzvarstr;
+  int mstyle;
+  int vxflag,vyflag,vzflag,axflag,ayflag,azflag;
+  double vx,vy,vz,ax,ay,az;
+  double period,omega_rotate;
+  double point[3],axis[3],runit[3];
+  double dt,dtv,dtf;
+  int xvar,yvar,zvar,vxvar,vyvar,vzvar;
+  int xvarstyle,yvarstyle,zvarstyle,vxvarstyle,vyvarstyle,vzvarstyle;
+  int time_origin;
+
+  double **xoriginal;         // original coords of atoms
+  int displaceflag,velocityflag;
+  int maxatom;
+  double **displace,**velocity;
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Fix meso/move cannot set linear z motion for 2d problem
+
+Self-explanatory.
+
+E: Fix meso/move cannot set wiggle z motion for 2d problem
+
+Self-explanatory.
+
+E: Fix meso/move cannot rotate aroung non z-axis for 2d problem
+
+Self-explanatory.
+
+E: Fix meso/move cannot define z or vz variable for 2d problem
+
+Self-explanatory.
+
+W: Fix meso/move does not update angular momentum
+
+Atoms store this quantity, but fix meso/move does not (yet) update it.
+
+W: Fix meso/move does not update quaternions
+
+Atoms store this quantity, but fix meso/move does not (yet) update it.
+
+E: Zero length rotation vector with fix meso/move
+
+Self-explanatory.
+
+E: Variable name for fix meso/move does not exist
+
+Self-explanatory.
+
+E: Variable for fix meso/move is invalid style
+
+Only equal-style variables can be used.
+
+E: Cannot add atoms to fix meso/move variable
+
+Atoms can not be added afterwards to this fix option.
+
+E: Resetting timestep size is not allowed with fix meso/move
+
+This is because fix meso/move is moving atoms based on elapsed time.
+
+*/
diff --git a/src/USER-SDPD/fix_rigid_meso.cpp b/src/USER-SDPD/fix_rigid_meso.cpp
new file mode 100644
index 0000000000..fd881852f7
--- /dev/null
+++ b/src/USER-SDPD/fix_rigid_meso.cpp
@@ -0,0 +1,500 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Tony Sheh (U Michigan), Trung Dac Nguyen (U Michigan)
+   references: Kamberaj et al., J. Chem. Phys. 122, 224114 (2005)
+               Miller et al., J Chem Phys. 116, 8649-8659 (2002)
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author:
+      Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
+    
+    This is an extension of fix/rigid/nve to SPH/SDPD particles
+    You can see the original copyright notice of fix/rigid authors above
+    Note that the Kamberaj paper was related to the nvt variant
+    and all codes relevant to that has been removed
+------------------------------------------------------------------------- */
+
+#include <math.h>
+#include "fix_rigid_meso.h"
+#include "math_extra.h"
+#include "atom.h"
+#include "compute.h"
+#include "domain.h"
+#include "update.h"
+#include "modify.h"
+#include "group.h"
+#include "force.h"
+#include "output.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+/* ---------------------------------------------------------------------- */
+
+FixRigidMeso::FixRigidMeso (LAMMPS *lmp, int narg, char **arg) :
+FixRigid (lmp, narg, arg) {
+  scalar_flag = 0;
+  size_array_cols = 28;
+  if ((atom->e_flag != 1) || (atom->rho_flag != 1))
+    error->all (FLERR, "fix rigid/meso command requires atom_style with"
+                       " both energy and density");
+  
+  if (langflag || tstat_flag)
+    error->all (FLERR,"Can not use thermostat with fix rigid/meso");
+  
+  if (pstat_flag)
+    error->all (FLERR,"Can not use barostat with fix rigid/meso");
+
+  // memory allocation and initialization
+
+  memory->create(conjqm,nbody,4,"rigid_nh:conjqm");
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixRigidMeso::~FixRigidMeso () {
+  memory->destroy(conjqm);
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixRigidMeso::setmask () {
+  int mask = 0;
+  mask |= INITIAL_INTEGRATE;
+  mask |= FINAL_INTEGRATE;
+  mask |= PRE_NEIGHBOR;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixRigidMeso::setup (int vflag) {
+  FixRigid::setup(vflag);
+
+  double mbody[3];
+  for (int ibody = 0; ibody < nbody; ibody++) {
+    MathExtra::transpose_matvec (ex_space[ibody],ey_space[ibody],ez_space[ibody],
+                                 angmom[ibody],mbody);
+    MathExtra::quatvec (quat[ibody],mbody,conjqm[ibody]);
+    conjqm[ibody][0] *= 2.0;
+    conjqm[ibody][1] *= 2.0;
+    conjqm[ibody][2] *= 2.0;
+    conjqm[ibody][3] *= 2.0;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   perform preforce velocity Verlet integration
+   see Kamberaj paper for step references
+------------------------------------------------------------------------- */
+
+void FixRigidMeso::initial_integrate (int vflag) {
+  double dtfm,mbody[3],tbody[3],fquat[4];
+  double dtf2 = dtf * 2.0;
+
+  // update xcm, vcm, quat, conjqm and angmom
+
+  for (int ibody = 0; ibody < nbody; ibody++) {
+
+    // step 1.1 - update vcm by 1/2 step
+
+    dtfm = dtf / masstotal[ibody];
+    vcm[ibody][0] += dtfm * fcm[ibody][0] * fflag[ibody][0];
+    vcm[ibody][1] += dtfm * fcm[ibody][1] * fflag[ibody][1];
+    vcm[ibody][2] += dtfm * fcm[ibody][2] * fflag[ibody][2];
+
+    // step 1.2 - update xcm by full step
+
+    xcm[ibody][0] += dtv * vcm[ibody][0];
+    xcm[ibody][1] += dtv * vcm[ibody][1];
+    xcm[ibody][2] += dtv * vcm[ibody][2];
+
+    // step 1.3 - apply torque (body coords) to quaternion momentum
+
+    torque[ibody][0] *= tflag[ibody][0];
+    torque[ibody][1] *= tflag[ibody][1];
+    torque[ibody][2] *= tflag[ibody][2];
+
+    MathExtra::transpose_matvec (ex_space[ibody],ey_space[ibody],ez_space[ibody],
+                                 torque[ibody],tbody);
+    MathExtra::quatvec (quat[ibody],tbody,fquat);
+
+    conjqm[ibody][0] += dtf2 * fquat[0];
+    conjqm[ibody][1] += dtf2 * fquat[1];
+    conjqm[ibody][2] += dtf2 * fquat[2];
+    conjqm[ibody][3] += dtf2 * fquat[3];
+
+    // step 1.4 to 1.13 - use no_squish rotate to update p and q
+
+    MathExtra::no_squish_rotate (3,conjqm[ibody],quat[ibody],inertia[ibody],dtq);
+    MathExtra::no_squish_rotate (2,conjqm[ibody],quat[ibody],inertia[ibody],dtq);
+    MathExtra::no_squish_rotate (1,conjqm[ibody],quat[ibody],inertia[ibody],dtv);
+    MathExtra::no_squish_rotate (2,conjqm[ibody],quat[ibody],inertia[ibody],dtq);
+    MathExtra::no_squish_rotate (3,conjqm[ibody],quat[ibody],inertia[ibody],dtq);
+
+    // update exyz_space
+    // transform p back to angmom
+    // update angular velocity
+
+    MathExtra::q_to_exyz (quat[ibody],ex_space[ibody],ey_space[ibody],
+                          ez_space[ibody]);
+    MathExtra::invquatvec (quat[ibody],conjqm[ibody],mbody);
+    MathExtra::matvec (ex_space[ibody],ey_space[ibody],ez_space[ibody],
+                       mbody,angmom[ibody]);
+
+    angmom[ibody][0] *= 0.5;
+    angmom[ibody][1] *= 0.5;
+    angmom[ibody][2] *= 0.5;
+
+    MathExtra::angmom_to_omega (angmom[ibody],ex_space[ibody],ey_space[ibody],
+                                ez_space[ibody],inertia[ibody],omega[ibody]);
+  }
+
+  // virial setup before call to set_xv
+
+  if (vflag) v_setup(vflag);
+  else evflag = 0;
+
+  // set coords/orient and velocity/rotation of atoms in rigid bodies
+  // from quarternion and omega
+
+  set_xv();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixRigidMeso::final_integrate () {
+  int i,ibody;
+  double dtfm,xy,xz,yz;
+  double mbody[3],tbody[3],fquat[4];
+
+  double dtf2 = dtf * 2.0;
+
+  // late calculation of forces and torques (if requested)
+
+  if (!earlyflag) compute_forces_and_torques();
+
+  // update vcm and angmom
+  // fflag,tflag = 0 for some dimensions in 2d
+
+  for (ibody = 0; ibody < nbody; ibody++) {
+
+    // update vcm by 1/2 step
+
+    dtfm = dtf / masstotal[ibody];
+
+    vcm[ibody][0] += dtfm * fcm[ibody][0] * fflag[ibody][0];
+    vcm[ibody][1] += dtfm * fcm[ibody][1] * fflag[ibody][1];
+    vcm[ibody][2] += dtfm * fcm[ibody][2] * fflag[ibody][2];
+
+    // update conjqm, then transform to angmom, set velocity again
+    // virial is already setup from initial_integrate
+
+    torque[ibody][0] *= tflag[ibody][0];
+    torque[ibody][1] *= tflag[ibody][1];
+    torque[ibody][2] *= tflag[ibody][2];
+
+    MathExtra::transpose_matvec (ex_space[ibody],ey_space[ibody],
+                                 ez_space[ibody],torque[ibody],tbody);
+    MathExtra::quatvec (quat[ibody],tbody,fquat);
+
+    conjqm[ibody][0] += dtf2 * fquat[0];
+    conjqm[ibody][1] += dtf2 * fquat[1];
+    conjqm[ibody][2] += dtf2 * fquat[2];
+    conjqm[ibody][3] += dtf2 * fquat[3];
+
+    MathExtra::invquatvec (quat[ibody],conjqm[ibody],mbody);
+    MathExtra::matvec (ex_space[ibody],ey_space[ibody],ez_space[ibody],
+                       mbody,angmom[ibody]);
+
+    angmom[ibody][0] *= 0.5;
+    angmom[ibody][1] *= 0.5;
+    angmom[ibody][2] *= 0.5;
+
+    MathExtra::angmom_to_omega (angmom[ibody],ex_space[ibody],ey_space[ibody],
+                                ez_space[ibody],inertia[ibody],omega[ibody]);
+  }
+
+  // set velocity/rotation of atoms in rigid bodies
+  // virial is already setup from initial_integrate
+
+  set_v();
+}
+
+/* ----------------------------------------------------------------------
+   set space-frame coords and velocity of each atom in each rigid body
+   set orientation and rotation of extended particles
+   x = Q displace + Xcm, mapped back to periodic box
+   v = Vcm + (W cross (x - Xcm))
+------------------------------------------------------------------------- */
+
+void FixRigidMeso::set_xv () {
+  int ibody;
+  int xbox,ybox,zbox;
+  double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
+  double xy,xz,yz;
+  double ione[3],exone[3],eyone[3],ezone[3],vr[6],p[3][3];
+
+  double **x = atom->x;
+  double **v = atom->v;
+  double **vest = atom->vest;
+  double **f = atom->f;
+  double *e = atom->e;
+  double *de = atom->de;
+  double *rho = atom->rho;
+  double *drho = atom->drho;
+  double *rmass = atom->rmass;
+  double *mass = atom->mass;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+
+  if (triclinic) {
+    xy = domain->xy;
+    xz = domain->xz;
+    yz = domain->yz;
+  }
+
+  // set x and v of each atom
+
+  for (int i = 0; i < nlocal; i++) {
+    if (body[i] < 0) continue;
+    
+    // half-step update of particle internal energy and density
+    e[i] += dtf * de[i];
+    rho[i] += dtf * drho[i];
+    
+    ibody = body[i];
+
+    xbox = (xcmimage[i] & IMGMASK) - IMGMAX;
+    ybox = (xcmimage[i] >> IMGBITS & IMGMASK) - IMGMAX;
+    zbox = (xcmimage[i] >> IMG2BITS) - IMGMAX;
+
+    // save old positions and velocities for virial
+
+    if (evflag) {
+      if (triclinic == 0) {
+        x0 = x[i][0] + xbox*xprd;
+        x1 = x[i][1] + ybox*yprd;
+        x2 = x[i][2] + zbox*zprd;
+      } else {
+        x0 = x[i][0] + xbox*xprd + ybox*xy + zbox*xz;
+        x1 = x[i][1] + ybox*yprd + zbox*yz;
+        x2 = x[i][2] + zbox*zprd;
+      }
+    }
+    
+    v0 = v[i][0];
+    v1 = v[i][1];
+    v2 = v[i][2];
+
+    // x = displacement from center-of-mass, based on body orientation
+    // v = vcm + omega around center-of-mass
+    // vest = 2*v - v_old
+
+    MathExtra::matvec (ex_space[ibody],ey_space[ibody],
+                       ez_space[ibody],displace[i],x[i]);
+
+    v[i][0] = omega[ibody][1]*x[i][2] - omega[ibody][2]*x[i][1] +
+      vcm[ibody][0];
+    v[i][1] = omega[ibody][2]*x[i][0] - omega[ibody][0]*x[i][2] +
+      vcm[ibody][1];
+    v[i][2] = omega[ibody][0]*x[i][1] - omega[ibody][1]*x[i][0] +
+      vcm[ibody][2];
+    
+    vest[i][0] = 2*v[i][0] - v0;
+    vest[i][1] = 2*v[i][1] - v1;
+    vest[i][2] = 2*v[i][2] - v2;
+
+    // add center of mass to displacement
+    // map back into periodic box via xbox,ybox,zbox
+    // for triclinic, add in box tilt factors as well
+
+    if (triclinic == 0) {
+      x[i][0] += xcm[ibody][0] - xbox*xprd;
+      x[i][1] += xcm[ibody][1] - ybox*yprd;
+      x[i][2] += xcm[ibody][2] - zbox*zprd;
+    } else {
+      x[i][0] += xcm[ibody][0] - xbox*xprd - ybox*xy - zbox*xz;
+      x[i][1] += xcm[ibody][1] - ybox*yprd - zbox*yz;
+      x[i][2] += xcm[ibody][2] - zbox*zprd;
+    }
+
+    // virial = unwrapped coords dotted into body constraint force
+    // body constraint force = implied force due to v change minus f external
+    // assume f does not include forces internal to body
+    // 1/2 factor b/c final_integrate contributes other half
+    // assume per-atom contribution is due to constraint force on that atom
+
+    if (evflag) {
+      if (rmass) massone = rmass[i];
+      else massone = mass[type[i]];
+      fc0 = massone*(v[i][0] - v0)/dtf - f[i][0];
+      fc1 = massone*(v[i][1] - v1)/dtf - f[i][1];
+      fc2 = massone*(v[i][2] - v2)/dtf - f[i][2];
+
+      vr[0] = 0.5*x0*fc0;
+      vr[1] = 0.5*x1*fc1;
+      vr[2] = 0.5*x2*fc2;
+      vr[3] = 0.5*x0*fc1;
+      vr[4] = 0.5*x0*fc2;
+      vr[5] = 0.5*x1*fc2;
+
+      v_tally(1,&i,1.0,vr);
+    }
+  }
+
+  // set orientation, omega, angmom of each extended particle
+
+  if (extended) {
+    // TBD
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set space-frame velocity of each atom in a rigid body
+   set omega and angmom of extended particles
+   v = Vcm + (W cross (x - Xcm))
+------------------------------------------------------------------------- */
+
+void FixRigidMeso::set_v () {
+  int xbox,ybox,zbox;
+  double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
+  double xy,xz,yz;
+  double ione[3],exone[3],eyone[3],ezone[3],delta[3],vr[6];
+
+  double **x = atom->x;
+  double **v = atom->v;
+  double **f = atom->f;
+  double *e = atom->e;
+  double *de = atom->de;
+  double *rho = atom->rho;
+  double *drho = atom->drho;
+  double *rmass = atom->rmass;
+  double *mass = atom->mass;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  if (triclinic) {
+    xy = domain->xy;
+    xz = domain->xz;
+    yz = domain->yz;
+  }
+
+  // set v of each atom
+
+  for (int i = 0; i < nlocal; i++) {
+    if (body[i] < 0) continue;
+    
+    // half-step update of particle internal energy and density
+    e[i] += dtf * de[i];
+    rho[i] += dtf * drho[i];
+    
+    const int ibody = body[i];
+
+    MathExtra::matvec (ex_space[ibody],ey_space[ibody],
+                       ez_space[ibody],displace[i],delta);
+
+    // save old velocities for virial
+
+    if (evflag) {
+      v0 = v[i][0];
+      v1 = v[i][1];
+      v2 = v[i][2];
+    }
+
+    v[i][0] = omega[ibody][1]*delta[2] - omega[ibody][2]*delta[1] +
+      vcm[ibody][0];
+    v[i][1] = omega[ibody][2]*delta[0] - omega[ibody][0]*delta[2] +
+      vcm[ibody][1];
+    v[i][2] = omega[ibody][0]*delta[1] - omega[ibody][1]*delta[0] +
+      vcm[ibody][2];
+
+    // virial = unwrapped coords dotted into body constraint force
+    // body constraint force = implied force due to v change minus f external
+    // assume f does not include forces internal to body
+    // 1/2 factor b/c initial_integrate contributes other half
+    // assume per-atom contribution is due to constraint force on that atom
+
+    if (evflag) {
+      if (rmass) massone = rmass[i];
+      else massone = mass[type[i]];
+      fc0 = massone*(v[i][0] - v0)/dtf - f[i][0];
+      fc1 = massone*(v[i][1] - v1)/dtf - f[i][1];
+      fc2 = massone*(v[i][2] - v2)/dtf - f[i][2];
+
+      xbox = (xcmimage[i] & IMGMASK) - IMGMAX;
+      ybox = (xcmimage[i] >> IMGBITS & IMGMASK) - IMGMAX;
+      zbox = (xcmimage[i] >> IMG2BITS) - IMGMAX;
+
+      if (triclinic == 0) {
+        x0 = x[i][0] + xbox*xprd;
+        x1 = x[i][1] + ybox*yprd;
+        x2 = x[i][2] + zbox*zprd;
+      } else {
+        x0 = x[i][0] + xbox*xprd + ybox*xy + zbox*xz;
+        x1 = x[i][1] + ybox*yprd + zbox*yz;
+        x2 = x[i][2] + zbox*zprd;
+      }
+
+      vr[0] = 0.5*x0*fc0;
+      vr[1] = 0.5*x1*fc1;
+      vr[2] = 0.5*x2*fc2;
+      vr[3] = 0.5*x0*fc1;
+      vr[4] = 0.5*x0*fc2;
+      vr[5] = 0.5*x1*fc2;
+
+      v_tally(1,&i,1.0,vr);
+    }
+  }
+
+  // set omega, angmom of each extended particle
+
+  if (extended) {
+    // TBD
+  }
+}
+
+/* ----------------------------------------------------------------------
+   return attributes of a rigid body
+   19 values per body
+   xcm = 0,1,2; vcm = 3,4,5; fcm = 6,7,8;
+   quat = 9,10,11,12; omega = 13,14,15; torque = 16,17,18;
+   inertia = 19,20,21; angmom = 22,23,24;
+   image = 25,26,27
+------------------------------------------------------------------------- */
+
+double FixRigidMeso::compute_array (int i, int j) {
+  if (j < 3) return xcm[i][j];
+  if (j < 6) return vcm[i][j-3];
+  if (j < 9) return fcm[i][j-6];
+  if (j < 13) return quat[i][j-9];
+  if (j < 16) return omega[i][j-13];
+  if (j < 19) return torque[i][j-16];
+  if (j < 22) return inertia[i][j-19];
+  if (j < 25) return angmom[i][j-22];
+  if (j == 25) return (imagebody[i] & IMGMASK) - IMGMAX;
+  if (j == 26) return (imagebody[i] >> IMGBITS & IMGMASK) - IMGMAX;
+  return (imagebody[i] >> IMG2BITS) - IMGMAX;
+}
diff --git a/src/USER-SDPD/fix_rigid_meso.h b/src/USER-SDPD/fix_rigid_meso.h
new file mode 100644
index 0000000000..ac73a9503b
--- /dev/null
+++ b/src/USER-SDPD/fix_rigid_meso.h
@@ -0,0 +1,69 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(rigid/meso,FixRigidMeso)
+
+#else
+
+#ifndef LMP_FIX_RIGID_MESO_H
+#define LMP_FIX_RIGID_MESO_H
+
+#include "fix_rigid.h"
+
+namespace LAMMPS_NS {
+
+class FixRigidMeso : public FixRigid {
+ public:
+  FixRigidMeso (class LAMMPS *, int, char **);
+  ~FixRigidMeso ();
+  int setmask ();
+  void setup (int);
+  void initial_integrate (int);
+  void final_integrate ();
+  double compute_scalar () {}
+  double compute_array (int, int);
+
+ protected:
+  void set_xv ();
+  void set_v ();
+  double **conjqm;                    // conjugate quaternion momentum
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: fix rigid/meso command requires atom_style with both energy and density
+
+You should use atom_style meso with this fix
+
+E: Can not use thermostat with fix rigid/meso
+
+Self-explanatory
+
+E: Can not use barostat with fix rigid/meso
+
+Self-explanatory
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+*/
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
new file mode 100644
index 0000000000..d8c32e7f6c
--- /dev/null
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -0,0 +1,321 @@
+/* ----------------------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ http://lammps.sandia.gov, Sandia National Laboratories
+ Steve Plimpton, sjplimp@sandia.gov
+
+ Copyright (2003) Sandia Corporation.  Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software.  This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+ ------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author:
+      Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
+    
+    references: Espanol and Revenga, Phys Rev E 67, 026705 (2003)
+------------------------------------------------------------------------- */
+
+#include <math.h>
+#include <stdlib.h>
+#include "pair_sdpd_taitwater_isothermal.h"
+#include "atom.h"
+#include "force.h"
+#include "comm.h"
+#include "neigh_list.h"
+#include "memory.h"
+#include "error.h"
+#include "domain.h"
+#include "update.h"
+#ifndef USE_ZEST
+#include "random_mars.h"
+#endif
+
+using namespace LAMMPS_NS;
+
+static const double sqrt_2_inv = std::sqrt(0.5);
+
+/* ---------------------------------------------------------------------- */
+
+PairSDPDTaitwaterIsothermal::PairSDPDTaitwaterIsothermal (LAMMPS *lmp)
+: Pair (lmp) {
+  restartinfo = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairSDPDTaitwaterIsothermal::~PairSDPDTaitwaterIsothermal () {
+  if (allocated) {
+    memory->destroy (setflag);
+    memory->destroy (cutsq);
+
+    memory->destroy (cut);
+    memory->destroy (rho0);
+    memory->destroy (soundspeed);
+    memory->destroy (B);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
+  int i, j, ii, jj, inum, jnum, itype, jtype;
+  double xtmp, ytmp, ztmp, delx, dely, delz, fpair;
+
+  int *ilist, *jlist, *numneigh, **firstneigh;
+  double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc;
+  double h, ih, ihsq, velx, vely, velz;
+  double rsq, tmp, wfd, delVdotDelR, deltaE;
+  double prefactor, wiener[3][3], f_random[3];
+
+  if (eflag || vflag) ev_setup (eflag, vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **v = atom->vest;
+  double **x = atom->x;
+  double **f = atom->f;
+  double *rho = atom->rho;
+  double *mass = atom->mass;
+  double *de = atom->de;
+  double *drho = atom->drho;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+  int dimension = domain->dimension;
+  double dtinv = 1.0 / update->dt;
+  double kBoltzmann = force->boltz;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    vxtmp = v[i][0];
+    vytmp = v[i][1];
+    vztmp = v[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    imass = mass[itype];
+
+    // compute pressure of atom i with Tait EOS
+    tmp = rho[i] / rho0[itype];
+    fi = tmp * tmp * tmp;
+    fi = B[itype] * (fi * fi * tmp - 1.0) / (rho[i] * rho[i]);
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx * delx + dely * dely + delz * delz;
+      jtype = type[j];
+      jmass = mass[jtype];
+
+      if (rsq < cutsq[itype][jtype]) {
+        h = cut[itype][jtype];
+        ih = 1.0 / h;
+        ihsq = ih * ih;
+
+        double r = sqrt (rsq);
+        wfd = h - r;
+        if (dimension == 3) {
+          // Lucy Kernel, 3d
+          // Note that wfd, the derivative of the weight function with respect to r,
+          // is lacking a factor of r.
+          // The missing factor of r is recovered by
+          // (1) using delV . delX instead of delV . (delX/r) and
+          // (2) using f[i][0] += delx * fpair instead of f[i][0] += (delx/r) * fpair
+          wfd = -25.066903536973515383e0 * wfd * wfd * ihsq * ihsq * ihsq * ih;
+        } else {
+          // Lucy Kernel, 2d
+          wfd = -19.098593171027440292e0 * wfd * wfd * ihsq * ihsq * ihsq;
+        }
+
+        // compute pressure  of atom j with Tait EOS
+        tmp = rho[j] / rho0[jtype];
+        fj = tmp * tmp * tmp;
+        fj = B[jtype] * (fj * fj * tmp - 1.0) / (rho[j] * rho[j]);
+
+        velx=vxtmp - v[j][0];
+        vely=vytmp - v[j][1];
+        velz=vztmp - v[j][2];
+
+        // dot product of velocity delta and distance vector
+        delVdotDelR = delx * velx + dely * vely + delz * velz;
+
+        // Espanol Viscosity (Espanol, 2003)
+
+        fvisc = (5. / 3.) * viscosity * imass * jmass * wfd / (rho[i]*rho[j]);
+
+        // total pair force
+        fpair = -imass * jmass * (fi + fj) * wfd;
+
+        // random force calculation
+        // independent increments of a Wiener process matrix
+#ifdef USE_ZEST
+        wiener[0][0] = gaussian (generator);
+        wiener[1][1] = gaussian (generator);
+        wiener[2][2] = gaussian (generator);
+        
+        wiener[0][1] = wiener[1][0] = sqrt_2_inv * gaussian (generator);
+        wiener[0][2] = wiener[2][0] = sqrt_2_inv * gaussian (generator);
+        wiener[1][2] = wiener[2][1] = sqrt_2_inv * gaussian (generator);
+#else
+        wiener[0][0] = random->gaussian ();
+        wiener[1][1] = random->gaussian ();
+        wiener[2][2] = random->gaussian ();
+        
+        wiener[0][1] = wiener[1][0] = sqrt_2_inv * random->gaussian ();
+        wiener[0][2] = wiener[2][0] = sqrt_2_inv * random->gaussian ();
+        wiener[1][2] = wiener[2][1] = sqrt_2_inv * random->gaussian ();
+#endif
+        
+        prefactor = sqrt (-4. * kBoltzmann*temperature * fvisc * dtinv) / r;
+        
+        f_random[0] = prefactor * (wiener[0][0]*delx + wiener[0][1]*dely + wiener[0][2]*delz);
+        f_random[1] = prefactor * (wiener[1][0]*delx + wiener[1][1]*dely + wiener[1][2]*delz);
+        f_random[2] = prefactor * (wiener[2][0]*delx + wiener[2][1]*dely + wiener[2][2]*delz);
+        
+        f[i][0] += delx * fpair + (velx + delx * delVdotDelR / rsq) * fvisc + f_random[0];
+        f[i][1] += dely * fpair + (vely + dely * delVdotDelR / rsq) * fvisc + f_random[1];
+        f[i][2] += delz * fpair + (velz + delz * delVdotDelR / rsq) * fvisc + f_random[2];
+
+        // and change in density
+        drho[i] += jmass * delVdotDelR * wfd;
+
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx * fpair + (velx + delx * delVdotDelR / rsq) * fvisc + f_random[0];
+          f[j][1] -= dely * fpair + (vely + dely * delVdotDelR / rsq) * fvisc + f_random[1];
+          f[j][2] -= delz * fpair + (velz + delz * delVdotDelR / rsq) * fvisc + f_random[2];
+          drho[j] += imass * delVdotDelR * wfd;
+        }
+
+        if (evflag)
+          ev_tally (i, j, nlocal, newton_pair, 0.0, 0.0, fpair, delx, dely, delz);
+      }
+    }
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute ();
+}
+
+/* ----------------------------------------------------------------------
+ allocate all arrays
+ ------------------------------------------------------------------------- */
+
+void PairSDPDTaitwaterIsothermal::allocate () {
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create (setflag, n + 1, n + 1, "pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create (cutsq, n + 1, n + 1, "pair:cutsq");
+
+  memory->create (rho0, n + 1, "pair:rho0");
+  memory->create (soundspeed, n + 1, "pair:soundspeed");
+  memory->create (B, n + 1, "pair:B");
+  memory->create (cut, n + 1, n + 1, "pair:cut");
+}
+
+/* ----------------------------------------------------------------------
+ global settings
+ ------------------------------------------------------------------------- */
+
+void PairSDPDTaitwaterIsothermal::settings (int narg, char **arg) {
+  if (narg != 2 && narg != 3) error->all (FLERR, "Illegal number of setting "
+    "arguments for pair_style sdpd/taitwater/morris/isothermal");
+  
+  temperature = force->numeric (FLERR, arg[0]);
+  viscosity = force->numeric (FLERR, arg[1]);
+  
+  if (temperature <= 0) error->all (FLERR, "Temperature must be positive");
+  if (viscosity <= 0) error->all (FLERR, "Viscosity must be positive");
+  
+  // seed is immune to underflow/overflow because it is unsigned
+  seed = comm->nprocs + comm->me + atom->nlocal;
+  if (narg == 3) seed += force->inumeric (FLERR, arg[2]);
+#ifdef USE_ZEST
+  generator.seed (seed);
+#else
+  random = new RanMars (lmp, seed);
+#endif
+}
+
+/* ----------------------------------------------------------------------
+ set coeffs for one or more type pairs
+ ------------------------------------------------------------------------- */
+
+void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
+  if (narg != 5) error->all (FLERR, "Incorrect args for pair_style "
+    "sph/taitwater/morris coefficients");
+  
+  if (!allocated) allocate();
+
+  int ilo, ihi, jlo, jhi;
+  force->bounds (FLERR, arg[0], atom->ntypes, ilo, ihi);
+  force->bounds (FLERR, arg[1], atom->ntypes, jlo, jhi);
+
+  double rho0_one = force->numeric (FLERR,arg[2]);
+  double soundspeed_one = force->numeric (FLERR,arg[3]);
+  double cut_one = force->numeric (FLERR,arg[4]);
+  double B_one = soundspeed_one * soundspeed_one * rho0_one / 7.0;
+  
+  if (rho0_one <= 0) error->all (FLERR, "Density must be positive");
+  if (soundspeed_one <= 0) error->all (FLERR, "Sound speed must be positive");
+  if (cut_one <= 0) error->all (FLERR, "Cutoff must be positive");
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    rho0[i] = rho0_one;
+    soundspeed[i] = soundspeed_one;
+    B[i] = B_one;
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      cut[i][j] = cut_one;
+
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+ init for one type pair i,j and corresponding j,i
+ ------------------------------------------------------------------------- */
+
+double PairSDPDTaitwaterIsothermal::init_one (int i, int j) {
+  if (setflag[i][j] == 0) 
+    error->all(FLERR,"Not all pair sph/taitwater/morris coeffs are not set");
+
+  cut[j][i] = cut[i][j];
+
+  return cut[i][j];
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairSDPDTaitwaterIsothermal::single (int /*i*/, int /*j*/, int /*itype*/,
+                    int /*jtype*/, double /*rsq*/, double /*factor_coul*/,
+                    double /*factor_lj*/, double &fforce) {
+  fforce = 0.0;
+
+  return 0.0;
+}
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h
new file mode 100644
index 0000000000..afa21c4132
--- /dev/null
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h
@@ -0,0 +1,60 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(sdpd/taitwater/isothermal,PairSDPDTaitwaterIsothermal)
+
+#else
+
+#ifndef LMP_PAIR_SDPD_TAITWATER_MORRIS_ISOTHERMAL_H
+#define LMP_PAIR_SDPD_TAITWATER_MORRIS_ISOTHERMAL_H
+
+#include "pair.h"
+#ifdef USE_ZEST
+#include <random>
+#include "zest.hpp"
+#endif
+
+namespace LAMMPS_NS {
+
+class PairSDPDTaitwaterIsothermal : public Pair {
+ public:
+  PairSDPDTaitwaterIsothermal (class LAMMPS *);
+  virtual ~PairSDPDTaitwaterIsothermal ();
+  virtual void compute (int, int);
+  void settings (int, char **);
+  void coeff (int, char **);
+  virtual double init_one (int, int);
+  virtual double single (int, int, int, int, double, double, double, double &);
+
+ protected:
+  double viscosity, temperature;
+  double *rho0, *soundspeed, *B;
+  double **cut;
+
+  void allocate ();
+  
+  unsigned int seed;
+#ifdef USE_ZEST
+  std::mt19937_64 generator;
+  Ziggurat<zest::StandardNormal,std::mt19937_64> gaussian;
+#else
+  class RanMars *random;
+#endif
+};
+
+}
+
+#endif
+#endif

From e70a9b0f2634582668cfcec452ad5d51d3297f99 Mon Sep 17 00:00:00 2001
From: Morteza Jalalvand <jalalvand.m@gmail.com>
Date: Tue, 30 Oct 2018 19:35:22 +0330
Subject: [PATCH 039/273] updated CMakeLists to handle the optional dependency
 of USER-SDPD

---
 cmake/CMakeLists.txt | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index a334ba0368..52277f558a 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -876,6 +876,20 @@ if(PKG_USER-OMP)
     include_directories(${USER-OMP_SOURCES_DIR})
 endif()
 
+# Fix rigid/meso requires RIGID to be installed
+if(PKG_USER-SDPD)
+  set(USER-SDPD_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-SDPD)
+
+  get_property(hlist GLOBAL PROPERTY FIX)
+  if(NOT PKG_RIGID)
+    list(REMOVE_ITEM hlist ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.h)
+    list(REMOVE_ITEM LIB_SOURCES ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.cpp)
+  endif()
+  set_property(GLOBAL PROPERTY FIX "${hlist}")
+
+  include_directories(${USER-SDPD_SOURCES_DIR})
+endif()
+
 if(PKG_KOKKOS)
   set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
   set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)

From e3b89b60dc424759267cdef92d272f775106fcc2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 30 Oct 2018 20:43:20 -0400
Subject: [PATCH 040/273] add checksum support for downloaded tar archives.
 upgrade to v2.4.3

---
 lib/plumed/Install.py | 43 ++++++++++++++++++++++++++++++++-----------
 1 file changed, 32 insertions(+), 11 deletions(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 6613add4f3..73c4e24bae 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -4,34 +4,40 @@
 # used to automate the steps described in the README file in this dir
 
 from __future__ import print_function
-import sys,os,re,subprocess
+import sys,os,re,subprocess,hashlib
 
 # help message
 
 help = """
 Syntax from src dir: make lib-plumed args="-b"
-                 or: make lib-plumed args="-b -v 2.4.2"
-Syntax from lib dir: python Install.py -b -v 2.4.2
+                 or: make lib-plumed args="-b -v 2.4.3"
+                 or: make lib-plumed args="-p /usr/local/plumed2-2.4.3"
+
+Syntax from lib dir: python Install.py -b -v 2.4.3
                  or: python Install.py -b
-                 or: python Install.py -p /usr/local/plumed-2.4.2
+                 or: python Install.py -p /usr/local/plumed2-2.4.3
 
 specify one or more options, order does not matter
 
   -b = download and build the plumed2 library
   -p = specify folder of existing plumed2 installation
-  -v = set version of plumed2 to download and build (default: 2.4.2)
+  -v = set version of plumed2 to download and build (default: 2.4.3)
 
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
-make lib-plumed args="-p $HOME/plumed-2.4.2" # use existing Plumed2 installation in $HOME/plumed-2.4.2
+make lib-plumed args="-p $HOME/plumed-2.4.3" # use existing Plumed2 installation in $HOME/plumed-2.4.3
 """
 
 # settings
 
-version = "2.4.2"
+version = "2.4.3"
 
-# Add known checksums for different PLUMED versions and use them to validate the download
+# known checksums for different PLUMED versions. used to validate the download.
+checksums = { \
+        '2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
+        '2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
+        }
 
 # print error message or help
 def error(str=None):
@@ -85,7 +91,16 @@ def geturl(url,fname):
     error("Failed to download source code with 'curl' or 'wget'")
   return
 
-# Here add function to check fsum
+def checkmd5sum(md5sum,fname):
+    with open(fname,'rb') as fh:
+        m = hashlib.md5()
+        while True:
+            data = fh.read(81920)
+            if not data:
+                break
+            m.update(data)
+    fh.close()
+    return m.hexdigest() == md5sum
 
 # parse args
 
@@ -134,9 +149,15 @@ if buildflag:
   url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
   filename = "v%s.tar.gz" %version
   print("Downloading plumed  ...")
-  geturl(url,filename) 
+  geturl(url,filename)
 
-  print("Unpacking plumed tarball ...")
+  # verify downloaded archive integrity via md5 checksum, if known.
+  if version in checksums:
+    if not checkmd5sum(checksums[version],filename):
+      error("Checksum for plumed2 library does not match")
+
+
+  print("Unpacking plumed2 tarball ...")
   if os.path.exists("%s/plumed2-%s" % (homepath,version)):
     cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

From 50b99c8450ff35761cf41a856d31ebacbf51da70 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 31 Oct 2018 00:19:06 -0400
Subject: [PATCH 041/273] silence compiler warnings about unused arguments

---
 src/USER-PLUMED/fix_plumed.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index f0582b184a..7c05a02335 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -262,7 +262,7 @@ void FixPlumed::min_setup(int vflag)
   post_force(vflag);
 }
 
-void FixPlumed::post_force(int vflag)
+void FixPlumed::post_force(int /* vflag */)
 {
 // Check tag is enabled
   if( !atom->tag_enable ) error->all(FLERR,"to run PLUMED you must have tag_enable==1");
@@ -417,7 +417,7 @@ void FixPlumed::post_force(int vflag)
   c_press->addstep(update->ntimestep+1);
 }
 
-void FixPlumed::post_force_respa(int vflag, int ilevel, int iloop)
+void FixPlumed::post_force_respa(int vflag, int ilevel, int /* iloop */)
 {
   if (ilevel == nlevels_respa-1) post_force(vflag);
 }

From 5821a5ecc8e87bdd212f3d16e12e4f3e2759fc90 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Thu, 1 Nov 2018 01:04:45 -0600
Subject: [PATCH 042/273] bond/react: custom group with stabilization option

---
 doc/src/fix_bond_react.txt       |  32 +++---
 src/USER-MISC/fix_bond_react.cpp | 161 +++++++++++++++++++------------
 src/USER-MISC/fix_bond_react.h   |   3 +
 3 files changed, 124 insertions(+), 72 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index f806da3324..b5ac87327d 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -102,19 +102,27 @@ involved in any new reactions. The {xmax} value keyword should
 typically be set to the maximum distance that non-reacting atoms move
 during the simulation.
 
-The group-ID set using the {stabilization} keyword should be a
-previously unused group-ID. It cannot be specified as 'all'. The fix
-bond/react command creates a "dynamic group"_group.html of this name
-that includes all non-reacting atoms. This dynamic group-ID should
-then be used by a subsequent system-wide time integrator such as nvt,
-npt, or nve, as shown in the second example above. It is currently
-necessary to place the time integration command after the fix
-bond/react command due to the internal dynamic grouping performed by
-fix bond/react.
+The group-ID set using the {stabilization} keyword can be an existing
+static group or a previously-unused group-ID. It cannot be specified
+as 'all'. If the group-ID is previously unused, fix bond/react command
+creates a "dynamic group"_group.html of this name that is initialized
+to include all atoms. If the group-ID is that of an existing static
+group, the group is converted into a dynamic group, whose atoms are
+limited to those belonging to the original static group. In either
+case, this dynamic group-ID should then be used by a subsequent
+system-wide time integrator such as nvt, npt, or nve, as shown in the
+second example above. The time integration command should be placed
+after the fix bond/react command due to the internal dynamic grouping
+performed by fix bond/react. By specifying an existing group, you may
+thermostat non-reacting parts of your system separately.
 
-NOTE: The internally created group currently applies to all atoms in
-the system, i.e. you should generally not have a separate thermostat
-which acts on the 'all' group.
+NOTE: If the group-ID is an existing static group, react-group-IDs
+should also be specified as this group, or a subset.
+
+NOTE: If the group-ID is previously unused, the internally created
+group applies to all atoms in the system, i.e. you should generally
+not have a separate thermostat which acts on the 'all' group, or any
+other group.
 
 The following comments pertain to each {react} argument:
 
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index 705bb8ff70..1124d359ce 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -354,6 +354,9 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
 
   id_fix1 = NULL;
   id_fix2 = NULL;
+  id_fix3 = NULL;
+  statted_id = NULL;
+  custom_exclude_flag = 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -426,11 +429,17 @@ FixBondReact::~FixBondReact()
     // check nfix in case all fixes have already been deleted
     if (id_fix1 == NULL && modify->nfix) modify->delete_fix(id_fix1);
     delete [] id_fix1;
+
+    if (custom_exclude_flag == 0) {
+      if (id_fix3 == NULL && modify->nfix) modify->delete_fix(id_fix3);
+      delete [] id_fix3;
+    }
   }
 
   if (id_fix2 == NULL && modify->nfix) modify->delete_fix(id_fix2);
   delete [] id_fix2;
 
+  delete [] statted_id;
   delete [] guess_branch;
   delete [] pioneer_count;
 }
@@ -461,21 +470,20 @@ void FixBondReact::post_constructor()
 
   int ifix = modify->find_fix(id_fix2);
   if (ifix == -1) {
-    char **newarg = new char*[8];
+    char **newarg = new char*[7];
     newarg[0] = (char *) "bond_react_props_internal";
     newarg[1] = (char *) "all"; // group ID is ignored
     newarg[2] = (char *) "property/atom";
     newarg[3] = (char *) "i_limit_tags";
-    newarg[4] = (char *) "i_statted_tags";
-    newarg[5] = (char *) "i_react_tags";
-    newarg[6] = (char *) "ghost";
-    newarg[7] = (char *) "yes";
-    modify->add_fix(8,newarg);
-    fix2 = modify->fix[modify->nfix-1];
+    newarg[4] = (char *) "i_react_tags";
+    newarg[5] = (char *) "ghost";
+    newarg[6] = (char *) "yes";
+    modify->add_fix(7,newarg);
     delete [] newarg;
   }
 
   // create master_group if not already existing
+  // NOTE: limit_tags and react_tags automaticaly intitialized to zero (unless read from restart)
   if (group->find(master_group) == -1) {
     group->find_or_create(master_group);
     char **newarg;
@@ -489,33 +497,100 @@ void FixBondReact::post_constructor()
     delete [] newarg;
   }
 
-  // on to statted_tags (system-wide thermostat)
-  // intialize per-atom statted_flags to 1
-  // (only if not already initialized by restart)
-  // NOTE: limit_tags and react_tags automaticaly intitialized to zero (unless read from restart)
-  if (fix2->restart_reset != 1) {
-    int flag;
-    int index = atom->find_custom("statted_tags",flag);
-    int *i_statted_tags = atom->ivector[index];
-
-    for (int i = 0; i < atom->nlocal; i++)
-      i_statted_tags[i] = 1;
-  }
-
   if (stabilization_flag == 1) {
-    // create exclude_group if not already existing
-    if (group->find(exclude_group) == -1) {
+    int igroup = group->find(exclude_group);
+    // create exclude_group if not already existing, or use as parent group if static
+    if (igroup == -1 || group->dynamic[igroup] == 0) {
+      // create stabilization per-atom property
+      len = strlen("bond_react_stabilization_internal") + 1;
+      id_fix3 = new char[len];
+      strcpy(id_fix3,"bond_react_stabilization_internal");
+
+      ifix = modify->find_fix(id_fix3);
+      if (ifix == -1) {
+        char **newarg = new char*[6];
+        newarg[0] = (char *) "bond_react_stabilization_internal";
+        newarg[1] = (char *) "all"; // group ID is ignored
+        newarg[2] = (char *) "property/atom";
+        newarg[3] = (char *) "i_statted_tags";
+        newarg[4] = (char *) "ghost";
+        newarg[5] = (char *) "yes";
+        modify->add_fix(6,newarg);
+        fix2 = modify->fix[modify->nfix-1];
+        delete [] newarg;
+      }
+
+      len = strlen("statted_tags") + 1;
+      statted_id = new char[len];
+      strcpy(statted_id,"statted_tags");
+
+      // if static group exists, duplicate it, use duplicate as parent group
+      // original will be converted into dynamic per-atom property group
+      if (igroup != -1) {
+        char **newarg;
+        newarg = new char*[3];
+        newarg[0] = (char *) "exclude_PARENT_group";
+        newarg[1] = (char *) "union";
+        newarg[2] = exclude_group;
+        group->assign(3,newarg);
+        delete [] newarg;
+      }
+
       group->find_or_create(exclude_group);
       char **newarg;
       newarg = new char*[5];
       newarg[0] = exclude_group;
       newarg[1] = (char *) "dynamic";
-      newarg[2] = (char *) "all";
+      if (igroup == -1) newarg[2] = (char *) "all";
+      else newarg[2] = (char *) "exclude_PARENT_group";
       newarg[3] = (char *) "property";
       newarg[4] = (char *) "statted_tags";
       group->assign(5,newarg);
       delete [] newarg;
-    }
+
+      // on to statted_tags (system-wide thermostat)
+      // intialize per-atom statted_flags to 1
+      // (only if not already initialized by restart)
+      if (fix2->restart_reset != 1) {
+        int flag;
+        int index = atom->find_custom("statted_tags",flag);
+        int *i_statted_tags = atom->ivector[index];
+
+        for (int i = 0; i < atom->nlocal; i++)
+          i_statted_tags[i] = 1;
+      }
+    } else {
+        // sleeping code, for future capabilities
+        custom_exclude_flag = 1;
+        // first we have to find correct fix group reference
+        int n = strlen("GROUP_") + strlen(exclude_group) + 1;
+        char *fix_group = new char[n];
+        strcpy(fix_group,"GROUP_");
+        strcat(fix_group,exclude_group);
+        int ifix = modify->find_fix(fix_group);
+        Fix *fix = modify->fix[ifix];
+        delete [] fix_group;
+
+        // this returns names of corresponding property
+        int unused;
+        char * idprop;
+        idprop = (char *) fix->extract("property",unused);
+        if (idprop == NULL)
+          error->all(FLERR,"Exclude group must be a per-atom property group");
+
+        len = strlen(idprop) + 1;
+        statted_id = new char[len];
+        strcpy(statted_id,idprop);
+
+        // intialize per-atom statted_tags to 1
+        // need to correct for smooth restarts
+        //int flag;
+        //int index = atom->find_custom(statted_id,flag);
+        //int *i_statted_tags = atom->ivector[index];
+        //for (int i = 0; i < atom->nlocal; i++)
+        //  i_statted_tags[i] = 1;
+      }
+
 
     // let's create a new nve/limit fix to limit newly reacted atoms
     len = strlen("bond_react_MASTER_nve_limit") + 1;
@@ -534,40 +609,6 @@ void FixBondReact::post_constructor()
       fix1 = modify->fix[modify->nfix-1];
       delete [] newarg;
     }
-
-  }
-
-  // currently must redefine dynamic groups so they are updated at proper time
-  // -> should double check as to why
-
-  int must_redefine_groups = 1;
-
-  if (must_redefine_groups) {
-    group->find_or_create(master_group);
-    char **newarg;
-    newarg = new char*[5];
-    newarg[0] = master_group;
-    newarg[1] = (char *) "dynamic";
-    newarg[2] = (char *) "all";
-    newarg[3] = (char *) "property";
-    newarg[4] = (char *) "limit_tags";
-    group->assign(5,newarg);
-    delete [] newarg;
-  }
-
-  if (stabilization_flag == 1) {
-    if (must_redefine_groups) {
-      group->find_or_create(exclude_group);
-      char **newarg;
-      newarg = new char*[5];
-      newarg[0] = exclude_group;
-      newarg[1] = (char *) "dynamic";
-      newarg[2] = (char *) "all";
-      newarg[3] = (char *) "property";
-      newarg[4] = (char *) "statted_tags";
-      group->assign(5,newarg);
-      delete [] newarg;
-    }
   }
 }
 
@@ -1812,7 +1853,7 @@ void FixBondReact::limit_bond(int limit_bond_mode)
   int index1 = atom->find_custom("limit_tags",flag);
   int *i_limit_tags = atom->ivector[index1];
 
-  int index2 = atom->find_custom("statted_tags",flag);
+  int index2 = atom->find_custom(statted_id,flag);
   int *i_statted_tags = atom->ivector[index2];
 
   int index3 = atom->find_custom("react_tags",flag);
@@ -1842,7 +1883,7 @@ void FixBondReact::unlimit_bond()
   int index1 = atom->find_custom("limit_tags",flag);
   int *i_limit_tags = atom->ivector[index1];
 
-  int index2 = atom->find_custom("statted_tags",flag);
+  int index2 = atom->find_custom(statted_id,flag);
   int *i_statted_tags = atom->ivector[index2];
 
   int index3 = atom->find_custom("react_tags",flag);
diff --git a/src/USER-MISC/fix_bond_react.h b/src/USER-MISC/fix_bond_react.h
index b960ec8e73..472a02be1a 100644
--- a/src/USER-MISC/fix_bond_react.h
+++ b/src/USER-MISC/fix_bond_react.h
@@ -57,6 +57,7 @@ class FixBondReact : public Fix {
   double **cutsq,*fraction;
   tagint lastcheck;
   int stabilization_flag;
+  int custom_exclude_flag;
   int *stabilize_steps_flag;
   int *update_edges_flag;
   int status;
@@ -88,6 +89,8 @@ class FixBondReact : public Fix {
   char *nve_limit_xmax; // indicates max distance allowed to move when relaxing
   char *id_fix1; // id of internally created fix nve/limit
   char *id_fix2; // id of internally created fix per-atom properties
+  char *id_fix3; // id of internally created 'stabilization group' per-atom property fix
+  char *statted_id; // name of 'stabilization group' per-atom property
   char *master_group; // group containing relaxing atoms from all fix rxns
   char *exclude_group; // group for system-wide thermostat
 

From b67e54dd7dced4c5bd80db0d0ec69fefcec446d6 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Thu, 1 Nov 2018 01:09:52 -0600
Subject: [PATCH 043/273] reciprocal 'related commands'

---
 doc/src/fix_bond_break.txt  | 4 ++--
 doc/src/fix_bond_create.txt | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/src/fix_bond_break.txt b/doc/src/fix_bond_break.txt
index 59fea8f45b..5927ceb4e5 100644
--- a/doc/src/fix_bond_break.txt
+++ b/doc/src/fix_bond_break.txt
@@ -137,8 +137,8 @@ doc page for more info.
 [Related commands:]
 
 "fix bond/create"_fix_bond_create.html, "fix
-bond/swap"_fix_bond_swap.html, "dump local"_dump.html,
-"special_bonds"_special_bonds.html
+bond/react"_fix_bond_react.html, "fix bond/swap"_fix_bond_swap.html,
+"dump local"_dump.html, "special_bonds"_special_bonds.html
 
 [Default:]
 
diff --git a/doc/src/fix_bond_create.txt b/doc/src/fix_bond_create.txt
index 02655577fd..de1a9f93f1 100644
--- a/doc/src/fix_bond_create.txt
+++ b/doc/src/fix_bond_create.txt
@@ -232,8 +232,8 @@ doc page for more info.
 [Related commands:]
 
 "fix bond/break"_fix_bond_break.html, "fix
-bond/swap"_fix_bond_swap.html, "dump local"_dump.html,
-"special_bonds"_special_bonds.html
+bond/react"_fix_bond_react.html, "fix bond/swap"_fix_bond_swap.html,
+"dump local"_dump.html, "special_bonds"_special_bonds.html
 
 [Default:]
 

From 0c7c344e19b1c52f6160f41c9899304ba8acbf42 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Thu, 1 Nov 2018 01:26:12 -0600
Subject: [PATCH 044/273] additional molecule templates sanity-check

thanks to Sagar Patil for report
---
 src/USER-MISC/fix_bond_react.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index 1124d359ce..abb2f9f7d8 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -279,6 +279,9 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
     open(files[i]);
     onemol = atom->molecules[unreacted_mol[i]];
     twomol = atom->molecules[reacted_mol[i]];
+    if (onemol->natoms != twomol->natoms)
+      error->all(FLERR,"Post-reacted template must contain the same "
+                       "number of atoms as the pre-reacted template");
     get_molxspecials();
     read(i);
     fclose(fp);

From b1c50e3bbe90f1c5289b4d00306bef6e72d3b7d2 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 2 Nov 2018 19:50:49 +0000
Subject: [PATCH 045/273] Added plumed documentation in a txt file

---
 doc/src/fix_plumed.html | 118 ----------------------------------------
 doc/src/fix_plumed.txt  | 104 +++++++++++++++++++++++++++++++++++
 2 files changed, 104 insertions(+), 118 deletions(-)
 delete mode 100644 doc/src/fix_plumed.html
 create mode 100644 doc/src/fix_plumed.txt

diff --git a/doc/src/fix_plumed.html b/doc/src/fix_plumed.html
deleted file mode 100644
index 4342403e84..0000000000
--- a/doc/src/fix_plumed.html
+++ /dev/null
@@ -1,118 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> 
-</CENTER>
-
-
-
-
-
-
-<HR>
-
-<H3>fix plumed command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<PRE>fix ID group-ID plumed keyword value ...
-</PRE>
-<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command 
-
-<LI>plumed = style name of this fix command 
-
-<LI>keyword = <I>plumedfile</I> or <I>outfile</I>  
-
-<PRE>  <I>plumedfile</I> arg = name of PLUMED input file to use
-  <I>outfile </I> arg = name of file on which to write the PLUMED log
-</PRE>
-
-</UL>
-<P><B>Examples:</B>
-</P>
-<PRE>
-  fix pl all plumed all plumed plumedfile plumed.dat outfile p.log 
-</PRE>
-<P><B>Description:</B>
-</P>
-<P>
-This fix instructs LAMMPS to call the PLUMED library, which allows one 
-to perform various forms of trajectory analysis on the fly and to also use
-methods such as umbrella sampling and metadynamics to enhance the sampling of 
-phase space.
-</P>
-<P>The documentation included here only describes the fix plumed command.  This command
-is LAMMPS specific whereas most of the functionality implemented in PLUMED will work with a 
-range of MD codes and also when PLUMED is used as a stand alone code.  The full documentation 
-for PLUMED is available at <A HREF="http://www.plumed.org/documentation">this website</A>
-</P>
-<P>The PLUMED library is developed at <A HREF = "https://github.com/plumed/plumed2">https://github.com/plumed/plumed2</A>
-A detailed discussion of the code can be found in <A HREF = "#PLUMED">(PLUMED)</A>.
-</P>
-<P>There are some example scripts for using this package with LAMMPS in the
-examples/USER/plumed directory.
-</P>
-<HR>
-
-<P>The command to call PLUMED above is reasonably self explanatory.  Within the input file 
-for lammps the user is required to specify the input file for PLUMED and a file on which 
-to output the PLUMED log.  The user must specify both of these arguments every time 
-PLUMED is to be used.  Furthermore, the fix plumed command should appear in the LAMMPS input
-file after the relevant input paramters (e.g. the timestep) have been set.  
-</P>
-<P>The <I>group-ID</I> entry is ignored. LAMMPS will always pass all the atoms to PLUMED 
-and there can only be one instance of the plumed fix at a time. The plumed fix communicates
-the minimum amount of information required and the PLUMED supports multiple, completely 
-independent collective variables, multiple independent biases and multiple independent forms of analysis.
-There is thus really no restriction in functionality by only allowing only one plumed fix in the LAMMPS input.
-</P>
-<P>The <I>plumedfile</I> keyword allows the user to specify the name of the PLUMED input file.
-Instructions as to what should be included in a plumed input file can be found in the 
-<A HREF="http://www.plumed.org/documentation">documentation for PLUMED</A>.
-</P>
-<P>The <I>outfile</I> keyword allows the user to specify the name of a file on which to output
-the PLUMED log.  This log file normally just parots the information that is contained in the input 
-file.  The names of the files on which the results from the various analyses that have been performed 
-using PLUMED will be specified by the user in the PLUMED input file. 
-</P>
-<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
-</P>
-<P>
-When performing a restart of a calculation that involves PLUMED you must include a RESTART command
-in the PLUMED input file as detailed in the <A HREF="http://www.plumed.org/documentation">PLUMED documentation.</A>  When the restart 
-command is found in the PLUMED input PLUMED will append to the files that were generated in the run
-that was performed previously.  Furthermore, any history dependent bias potentials that were accumulated in 
-previous calculations will be read in when the restart command is included in the PLUMED input. 
-</P>
-<P>The <A HREF = "fix_modify.html">fix_modify</A> <I>energy</I> option is not supported by this fix.  
-</P>
-<P>Nothing is computed by this fix that can be accessed by any of the 
-<A HREF = "Section_howto.html#howto_15">output commands</A> within LAMMPS.  All the quantities
-of interest can be output by commands that are native to PLUMED, however. 
-</P>
-<P><B>Restrictions:</B>
-</P>
-<P>This fix is part of the USER-PLUMED package.  It is only enabled if
-LAMMPS was built with that package.  See the <A HREF = "Section_start.html#start_3">Making
-LAMMPS</A> section for more info.
-</P>
-<P>There can only be one plumed fix active at a time. Since the interface
-communicates only the minimum amount of information and since the PLUMED module
-itself can handle an arbitrary number of analysis and biasing methods, this is
-not a limitation of functionality.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P><A HREF = "fix_smd.html">fix smd</A>
-<P><A HREF = "fix_colvars.html">fix colvars</A>
-</P>
-<P><B>Default:</B>
-</P>
-<P>The default options are plumedfile = NULL and outfile = NULL  
-</P>
-<HR>
-
-<A NAME = "PLUMED"></A>
-
-<P><B>(PLUMED)</B> G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) DOI:https://doi.org/10.1016/j.cpc.2013.09.018
-</P>
-<!-- PAGE BREAK -->
-</HTML>
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
new file mode 100644
index 0000000000..d9ee6dce39
--- /dev/null
+++ b/doc/src/fix_plumed.txt
@@ -0,0 +1,104 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Commands_all.html)
+
+:line
+
+fix plumed command :h3
+
+[Syntax:]
+
+fix ID group-ID plumed keyword value ... :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l 
+plumed = style name of this fix command :1
+keyword = {plumedfile} or {outfile} :1  
+  {plumedfile} arg = name of PLUMED input file to use (default: NULL)
+  {outfile} arg = name of file on which to write the PLUMED log (default: NULL)
+:ule 
+
+[Examples:]
+
+fix pl all plumed all plumed plumedfile plumed.dat outfile p.log 
+
+[Description:]
+
+This fix instructs LAMMPS to call the PLUMED library, which allows one 
+to perform various forms of trajectory analysis on the fly and to also use
+methods such as umbrella sampling and metadynamics to enhance the sampling of 
+phase space.
+
+The documentation included here only describes the fix plumed command.  This command
+is LAMMPS specific whereas most of the functionality implemented in PLUMED will work with a 
+range of MD codes and also when PLUMED is used as a stand alone code.  The full documentation 
+for PLUMED is available at "this website"_http://www.plumed.org/documentation
+
+The PLUMED library is developed at "https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2
+A detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
+
+There are some example scripts for using this package with LAMMPS in the
+examples/USER/plumed directory.
+
+:line
+
+The command to call PLUMED above is reasonably self explanatory.  Within the input file 
+for lammps the user is required to specify the input file for PLUMED and a file on which 
+to output the PLUMED log.  The user must specify both of these arguments every time 
+PLUMED is to be used.  Furthermore, the fix plumed command should appear in the LAMMPS input
+file after the relevant input paramters (e.g. the timestep) have been set.  
+
+The {group-ID} entry is ignored. LAMMPS will always pass all the atoms to PLUMED 
+and there can only be one instance of the plumed fix at a time. The plumed fix communicates
+the minimum amount of information required and the PLUMED supports multiple, completely 
+independent collective variables, multiple independent biases and multiple independent forms of analysis.
+There is thus really no restriction in functionality by only allowing only one plumed fix in the LAMMPS input.
+
+The {plumedfile} keyword allows the user to specify the name of the PLUMED input file.
+Instructions as to what should be included in a plumed input file can be found in the 
+"documentation for PLUMED"_http://www.plumed.org/documentation.
+
+The {outfile} keyword allows the user to specify the name of a file on which to output
+the PLUMED log.  This log file normally just parots the information that is contained in the input 
+file.  The names of the files on which the results from the various analyses that have been performed 
+using PLUMED will be specified by the user in the PLUMED input file. 
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+When performing a restart of a calculation that involves PLUMED you must include a RESTART command
+in the PLUMED input file as detailed in the "PLUMED documentation"_http://www.plumed.org/documentation.  When the restart 
+command is found in the PLUMED input PLUMED will append to the files that were generated in the run
+that was performed previously.  Furthermore, any history dependent bias potentials that were accumulated in 
+previous calculations will be read in when the restart command is included in the PLUMED input. 
+
+The "fix_modify"_fix_modify.html {energy} option is not supported by this fix.  
+
+Nothing is computed by this fix that can be accessed by any of the 
+"output commands"_Howto_output.html within LAMMPS.  All the quantities
+of interest can be output by commands that are native to PLUMED, however. 
+
+[Restrictions:]
+
+This fix is part of the USER-PLUMED package.  It is only enabled if
+LAMMPS was built with that package.  See the "Build 
+package"_Build_package.html doc page for more info.
+
+There can only be one plumed fix active at a time. Since the interface
+communicates only the minimum amount of information and since the PLUMED module
+itself can handle an arbitrary number of analysis and biasing methods, this is
+not a limitation of functionality.
+
+[Related commands:]
+
+"fix smd"_fix_smd.html
+"fix colvars"_fix_colvars.html
+
+[Default:]
+
+The default options are plumedfile = NULL and outfile = NULL  
+
+:line
+
+:link(PLUMED)
+[(PLUMED)] G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) DOI:https://doi.org/10.1016/j.cpc.2013.09.018

From 85a5cab6638875b930faaf90ab899815a840175a Mon Sep 17 00:00:00 2001
From: Giacomo Fiorin <giacomo.fiorin@gmail.com>
Date: Fri, 2 Nov 2018 17:45:20 -0400
Subject: [PATCH 046/273] Update Colvars library to version 2018-10-16

---
 doc/src/PDF/colvars-refman-lammps.pdf         | Bin 588670 -> 621342 bytes
 lib/colvars/colvar.cpp                        | 122 +++-
 lib/colvars/colvar.h                          |  20 +-
 lib/colvars/colvaratoms.cpp                   |   4 +-
 lib/colvars/colvaratoms.h                     |   2 +-
 lib/colvars/colvarbias_abf.cpp                |  58 +-
 lib/colvars/colvarbias_abf.h                  |   6 +-
 lib/colvars/colvarbias_restraint.cpp          |  22 +-
 lib/colvars/colvarcomp.cpp                    |  25 +-
 lib/colvars/colvarcomp.h                      | 118 ++--
 lib/colvars/colvarcomp_coordnums.cpp          | 521 ++++++++++++------
 lib/colvars/colvarcomp_distances.cpp          |   2 +-
 lib/colvars/colvarmodule.cpp                  |  31 +-
 lib/colvars/colvarmodule.h                    |   8 +-
 lib/colvars/colvarparse.cpp                   |  55 +-
 lib/colvars/colvarparse.h                     |  24 +-
 lib/colvars/colvarproxy.cpp                   |  20 +-
 lib/colvars/colvarproxy.h                     |   3 +
 lib/colvars/colvars_version.h                 |   2 +-
 lib/colvars/colvarscript.cpp                  |  35 +-
 lib/colvars/colvarscript.h                    |  19 +
 lib/colvars/colvarvalue.cpp                   |  34 ++
 lib/colvars/colvarvalue.h                     |  43 +-
 src/USER-COLVARS/colvarproxy_lammps_version.h |   2 +-
 24 files changed, 800 insertions(+), 376 deletions(-)

diff --git a/doc/src/PDF/colvars-refman-lammps.pdf b/doc/src/PDF/colvars-refman-lammps.pdf
index 7f52367c82eec09a0465b356b326e996482a9bc3..4afeedccc87bb748bdc3fcb6eceb56d4004331c6 100644
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diff --git a/lib/colvars/colvar.cpp b/lib/colvars/colvar.cpp
index c5b6d906c1..22befdfd43 100644
--- a/lib/colvars/colvar.cpp
+++ b/lib/colvars/colvar.cpp
@@ -426,8 +426,8 @@ int colvar::init_custom_function(std::string const &conf)
 
   if (x.size() != value_evaluators.size()) {
     cvm::error("Error: based on custom function type, expected "
-        + cvm::to_str(x.size()) + " scalar expressions, but "
-        + cvm::to_str(value_evaluators.size() + " were found.\n"));
+               + cvm::to_str(x.size()) + " scalar expressions, but "
+               + cvm::to_str(value_evaluators.size()) + " were found.\n");
     return INPUT_ERROR;
   }
 
@@ -455,36 +455,42 @@ int colvar::init_grid_parameters(std::string const &conf)
   }
 
   lower_boundary.type(value());
-
   upper_boundary.type(value());
-  upper_wall.type(value());
 
   if (is_enabled(f_cv_scalar)) {
 
     if (get_keyval(conf, "lowerBoundary", lower_boundary, lower_boundary)) {
       enable(f_cv_lower_boundary);
     }
-    std::string lw_conf, uw_conf;
-
-    if (get_keyval(conf, "lowerWallConstant", lower_wall_k, 0.0, parse_silent)) {
-      cvm::log("Warning: lowerWallConstant and lowerWall are deprecated, "
-               "please define a harmonicWalls bias instead.\n");
-      lower_wall.type(value());
-      get_keyval(conf, "lowerWall", lower_wall, lower_boundary);
-      lw_conf = std::string("\n\
-    lowerWallConstant "+cvm::to_str(lower_wall_k*width*width)+"\n\
-    lowerWalls "+cvm::to_str(lower_wall)+"\n");
-    }
 
     if (get_keyval(conf, "upperBoundary", upper_boundary, upper_boundary)) {
       enable(f_cv_upper_boundary);
     }
 
-    if (get_keyval(conf, "upperWallConstant", upper_wall_k, 0.0, parse_silent)) {
-      cvm::log("Warning: upperWallConstant and upperWall are deprecated, "
-               "please define a harmonicWalls bias instead.\n");
+    std::string lw_conf, uw_conf;
+    if (get_keyval(conf, "lowerWallConstant", lower_wall_k, 0.0,
+                   parse_silent)) {
+      cvm::log("Reading legacy options lowerWall and lowerWallConstant: "
+               "consider using a harmonicWalls restraint.\n");
+      lower_wall.type(value());
+      if (!get_keyval(conf, "lowerWall", lower_wall, lower_boundary)) {
+        cvm::log("Warning: lowerWall will need to be "
+                 "defined explicitly in the next release.\n");
+      }
+      lw_conf = std::string("\n\
+    lowerWallConstant "+cvm::to_str(lower_wall_k*width*width)+"\n\
+    lowerWalls "+cvm::to_str(lower_wall)+"\n");
+    }
+
+    if (get_keyval(conf, "upperWallConstant", upper_wall_k, 0.0,
+                   parse_silent)) {
+      cvm::log("Reading legacy options upperWall and upperWallConstant: "
+               "consider using a harmonicWalls restraint.\n");
       upper_wall.type(value());
-      get_keyval(conf, "upperWall", upper_wall, upper_boundary);
+      if (!get_keyval(conf, "upperWall", upper_wall, upper_boundary)) {
+        cvm::log("Warning: upperWall will need to be "
+                 "defined explicitly in the next release.\n");
+      }
       uw_conf = std::string("\n\
     upperWallConstant "+cvm::to_str(upper_wall_k*width*width)+"\n\
     upperWalls "+cvm::to_str(upper_wall)+"\n");
@@ -677,6 +683,7 @@ template<typename def_class_name> int colvar::init_components_type(std::string c
     if (cvcp != NULL) {
       cvcs.push_back(cvcp);
       cvcp->check_keywords(def_conf, def_config_key);
+      cvcp->config_key = def_config_key;
       if (cvm::get_error()) {
         cvm::error("Error: in setting up component \""+
                    std::string(def_config_key)+"\".\n", INPUT_ERROR);
@@ -1022,13 +1029,13 @@ int colvar::calc()
 
 int colvar::calc_cvcs(int first_cvc, size_t num_cvcs)
 {
-  colvarproxy *proxy = cvm::main()->proxy;
-
-  int error_code = COLVARS_OK;
   if (cvm::debug())
     cvm::log("Calculating colvar \""+this->name+"\", components "+
              cvm::to_str(first_cvc)+" through "+cvm::to_str(first_cvc+num_cvcs)+".\n");
 
+  colvarproxy *proxy = cvm::main()->proxy;
+  int error_code = COLVARS_OK;
+
   error_code |= check_cvc_range(first_cvc, num_cvcs);
   if (error_code != COLVARS_OK) {
     return error_code;
@@ -1059,9 +1066,10 @@ int colvar::collect_cvc_data()
   if (cvm::debug())
     cvm::log("Calculating colvar \""+this->name+"\"'s properties.\n");
 
+  colvarproxy *proxy = cvm::main()->proxy;
   int error_code = COLVARS_OK;
 
-  if (cvm::step_relative() > 0) {
+  if ((cvm::step_relative() > 0) && (!proxy->total_forces_same_step())){
     // Total force depends on Jacobian derivative from previous timestep
     // collect_cvc_total_forces() uses the previous value of jd
     error_code |= collect_cvc_total_forces();
@@ -1069,6 +1077,10 @@ int colvar::collect_cvc_data()
   error_code |= collect_cvc_values();
   error_code |= collect_cvc_gradients();
   error_code |= collect_cvc_Jacobians();
+  if (proxy->total_forces_same_step()){
+    // Use Jacobian derivative from this timestep
+    error_code |= collect_cvc_total_forces();
+  }
   error_code |= calc_colvar_properties();
 
   if (cvm::debug())
@@ -1394,6 +1406,13 @@ int colvar::calc_colvar_properties()
       vr.reset(); // (already 0; added for clarity)
     }
 
+    // Special case of a repeated timestep (eg. multiple NAMD "run" statements)
+    // revert values of the extended coordinate and velocity prior to latest integration
+    if (cvm::step_relative() == prev_timestep) {
+      xr = prev_xr;
+      vr = prev_vr;
+    }
+
     // report the restraint center as "value"
     x_reported = xr;
     v_reported = vr;
@@ -1450,7 +1469,6 @@ cvm::real colvar::update_forces_energy()
   // extended variable if there is one
 
   if (is_enabled(f_cv_extended_Lagrangian)) {
-
     if (cvm::debug()) {
       cvm::log("Updating extended-Lagrangian degree of freedom.\n");
     }
@@ -1502,6 +1520,11 @@ cvm::real colvar::update_forces_energy()
       ft_reported = f_ext;
     }
 
+    // backup in case we need to revert this integration timestep
+    // if the same MD timestep is re-run
+    prev_xr = xr;
+    prev_vr = vr;
+
     // leapfrog: starting from x_i, f_i, v_(i-1/2)
     vr  += (0.5 * dt) * f_ext / ext_mass;
     // Because of leapfrog, kinetic energy at time i is approximate
@@ -1638,18 +1661,26 @@ int colvar::set_cvc_flags(std::vector<bool> const &flags)
 }
 
 
+void colvar::update_active_cvc_square_norm()
+{
+  active_cvc_square_norm = 0.0;
+  for (size_t i = 0; i < cvcs.size(); i++) {
+    if (cvcs[i]->is_enabled()) {
+      active_cvc_square_norm += cvcs[i]->sup_coeff * cvcs[i]->sup_coeff;
+    }
+  }
+}
+
+
 int colvar::update_cvc_flags()
 {
   // Update the enabled/disabled status of cvcs if necessary
   if (cvc_flags.size()) {
     n_active_cvcs = 0;
-    active_cvc_square_norm = 0.;
-
     for (size_t i = 0; i < cvcs.size(); i++) {
       cvcs[i]->set_enabled(f_cvc_active, cvc_flags[i]);
       if (cvcs[i]->is_enabled()) {
         n_active_cvcs++;
-        active_cvc_square_norm += cvcs[i]->sup_coeff * cvcs[i]->sup_coeff;
       }
     }
     if (!n_active_cvcs) {
@@ -1657,12 +1688,49 @@ int colvar::update_cvc_flags()
       return COLVARS_ERROR;
     }
     cvc_flags.clear();
+
+    update_active_cvc_square_norm();
   }
 
   return COLVARS_OK;
 }
 
 
+int colvar::update_cvc_config(std::vector<std::string> const &confs)
+{
+  cvm::log("Updating configuration for colvar \""+name+"\"");
+
+  if (confs.size() != cvcs.size()) {
+    return cvm::error("Error: Wrong number of CVC config strings.  "
+                      "For those CVCs that are not being changed, try passing "
+                      "an empty string.", INPUT_ERROR);
+  }
+
+  int error_code = COLVARS_OK;
+  int num_changes = 0;
+  for (size_t i = 0; i < cvcs.size(); i++) {
+    if (confs[i].size()) {
+      std::string conf(confs[i]);
+      cvm::increase_depth();
+      error_code |= cvcs[i]->colvar::cvc::init(conf);
+      error_code |= cvcs[i]->check_keywords(conf,
+                                            cvcs[i]->config_key.c_str());
+      cvm::decrease_depth();
+      num_changes++;
+    }
+  }
+
+  if (num_changes == 0) {
+    cvm::log("Warning: no changes were applied through modifycvcs; "
+             "please check that its argument is a list of strings.\n");
+  }
+
+  update_active_cvc_square_norm();
+
+  return error_code;
+}
+
+
 // ******************** METRIC FUNCTIONS ********************
 // Use the metrics defined by \link cvc \endlink objects
 
diff --git a/lib/colvars/colvar.h b/lib/colvars/colvar.h
index 271231fb2a..989d55124f 100644
--- a/lib/colvars/colvar.h
+++ b/lib/colvars/colvar.h
@@ -171,8 +171,12 @@ protected:
   // Options for extended_lagrangian
   /// Restraint center
   colvarvalue xr;
+  /// Previous value of the restraint center;
+  colvarvalue prev_xr;
   /// Velocity of the restraint center
   colvarvalue vr;
+  /// Previous velocity of the restraint center
+  colvarvalue prev_vr;
   /// Mass of the restraint center
   cvm::real ext_mass;
   /// Restraint force constant
@@ -352,6 +356,9 @@ public:
   /// \brief Updates the flags in the CVC objects, and their number
   int update_cvc_flags();
 
+  /// \brief Modify the configuration of CVCs (currently, only base class data)
+  int update_cvc_config(std::vector<std::string> const &confs);
+
 protected:
   /// \brief Number of CVC objects with an active flag
   size_t n_active_cvcs;
@@ -359,10 +366,17 @@ protected:
   /// Sum of square coefficients for active cvcs
   cvm::real active_cvc_square_norm;
 
+  /// Update the sum of square coefficients for active cvcs
+  void update_active_cvc_square_norm();
+
   /// \brief Absolute timestep number when this colvar was last updated
   int prev_timestep;
 
 public:
+
+  /// \brief Return the number of CVC objects defined
+  inline size_t num_cvcs() const { return cvcs.size(); }
+
   /// \brief Return the number of CVC objects with an active flag (as set by update_cvc_flags)
   inline size_t num_active_cvcs() const { return n_active_cvcs; }
 
@@ -371,21 +385,21 @@ public:
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   cvm::real dist2(colvarvalue const &x1,
-                   colvarvalue const &x2) const;
+                  colvarvalue const &x2) const;
 
   /// \brief Use the internal metrics (as from \link cvc
   /// \endlink objects) to calculate square distances and gradients
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   colvarvalue dist2_lgrad(colvarvalue const &x1,
-                           colvarvalue const &x2) const;
+                          colvarvalue const &x2) const;
 
   /// \brief Use the internal metrics (as from \link cvc
   /// \endlink objects) to calculate square distances and gradients
   ///
   /// Handles correctly symmetries and periodic boundary conditions
   colvarvalue dist2_rgrad(colvarvalue const &x1,
-                           colvarvalue const &x2) const;
+                          colvarvalue const &x2) const;
 
   /// \brief Use the internal metrics (as from \link cvc
   /// \endlink objects) to wrap a value into a standard interval
diff --git a/lib/colvars/colvaratoms.cpp b/lib/colvars/colvaratoms.cpp
index c8dcfc0766..3315007b54 100644
--- a/lib/colvars/colvaratoms.cpp
+++ b/lib/colvars/colvaratoms.cpp
@@ -21,6 +21,8 @@ cvm::atom::atom()
 {
   index = -1;
   id = -1;
+  mass = 1.0;
+  charge = 1.0;
   reset_data();
 }
 
@@ -395,7 +397,7 @@ int cvm::atom_group::parse(std::string const &group_conf)
       }
 
       // NOTE: calls to add_atom() and/or add_atom_id() are in the proxy-implemented function
-      cvm::load_atoms(atoms_file_name.c_str(), *this, atoms_col, atoms_col_value);
+      parse_error |= cvm::load_atoms(atoms_file_name.c_str(), *this, atoms_col, atoms_col_value);
     }
   }
 
diff --git a/lib/colvars/colvaratoms.h b/lib/colvars/colvaratoms.h
index 93ae594aae..0b0dd62c70 100644
--- a/lib/colvars/colvaratoms.h
+++ b/lib/colvars/colvaratoms.h
@@ -90,7 +90,7 @@ public:
   /// Destructor
   ~atom();
 
-  /// Set mutable data (everything except id and mass) to zero; update mass
+  /// Set mutable data (everything except id and mass) to zero
   inline void reset_data()
   {
     pos = cvm::atom_pos(0.0);
diff --git a/lib/colvars/colvarbias_abf.cpp b/lib/colvars/colvarbias_abf.cpp
index 771955a4fa..e5edd92ae6 100644
--- a/lib/colvars/colvarbias_abf.cpp
+++ b/lib/colvars/colvarbias_abf.cpp
@@ -564,6 +564,8 @@ int colvarbias_abf::replica_share() {
   return COLVARS_OK;
 }
 
+
+
 void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool append)
 {
   std::string  samples_out_name = prefix + ".count";
@@ -572,10 +574,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
   std::ostream *samples_os =
     cvm::proxy->output_stream(samples_out_name, mode);
-  if (!samples_os) {
-    cvm::error("Error opening ABF samples file " + samples_out_name + " for writing");
-    return;
-  }
+  if (!samples_os) return;
   samples->write_multicol(*samples_os);
   cvm::proxy->close_output_stream(samples_out_name);
 
@@ -583,10 +582,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
   if (num_variables() > 2) {
     std::string  samples_dx_out_name = prefix + ".count.dx";
     std::ostream *samples_dx_os = cvm::proxy->output_stream(samples_dx_out_name, mode);
-    if (!samples_os) {
-      cvm::error("Error opening samples file " + samples_dx_out_name + " for writing");
-      return;
-    }
+    if (!samples_os) return;
     samples->write_opendx(*samples_dx_os);
     *samples_dx_os << std::endl;
     cvm::proxy->close_output_stream(samples_dx_out_name);
@@ -594,10 +590,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
   std::ostream *gradients_os =
     cvm::proxy->output_stream(gradients_out_name, mode);
-  if (!gradients_os) {
-    cvm::error("Error opening ABF gradient file " + gradients_out_name + " for writing");
-    return;
-  }
+  if (!gradients_os) return;
   gradients->write_multicol(*gradients_os);
   cvm::proxy->close_output_stream(gradients_out_name);
 
@@ -609,20 +602,14 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
     std::string  pmf_out_name = prefix + ".pmf";
     std::ostream *pmf_os = cvm::proxy->output_stream(pmf_out_name, mode);
-    if (!pmf_os) {
-      cvm::error("Error opening pmf file " + pmf_out_name + " for writing");
-      return;
-    }
+    if (!pmf_os) return;
     pmf->write_multicol(*pmf_os);
 
     // In dimension higher than 2, dx is easier to handle and visualize
     if (num_variables() > 2) {
       std::string  pmf_dx_out_name = prefix + ".pmf.dx";
       std::ostream *pmf_dx_os = cvm::proxy->output_stream(pmf_dx_out_name, mode);
-      if (!pmf_dx_os) {
-        cvm::error("Error opening pmf file " + pmf_dx_out_name + " for writing");
-        return;
-      }
+      if (!pmf_dx_os) return;
       pmf->write_opendx(*pmf_dx_os);
       *pmf_dx_os << std::endl;
       cvm::proxy->close_output_stream(pmf_dx_out_name);
@@ -639,10 +626,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
     std::ostream *z_samples_os =
       cvm::proxy->output_stream(z_samples_out_name, mode);
-    if (!z_samples_os) {
-      cvm::error("Error opening eABF z-histogram file " + z_samples_out_name + " for writing");
-      return;
-    }
+    if (!z_samples_os) return;
     z_samples->write_multicol(*z_samples_os);
     cvm::proxy->close_output_stream(z_samples_out_name);
 
@@ -651,10 +635,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
       std::ostream *z_gradients_os =
         cvm::proxy->output_stream(z_gradients_out_name, mode);
-      if (!z_gradients_os) {
-        cvm::error("Error opening eABF z-gradient file " + z_gradients_out_name + " for writing");
-        return;
-      }
+      if (!z_gradients_os) return;
       z_gradients->write_multicol(*z_gradients_os);
       cvm::proxy->close_output_stream(z_gradients_out_name);
     }
@@ -672,10 +653,7 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
     std::ostream *czar_gradients_os =
       cvm::proxy->output_stream(czar_gradients_out_name, mode);
-    if (!czar_gradients_os) {
-      cvm::error("Error opening CZAR gradient file " + czar_gradients_out_name + " for writing");
-      return;
-    }
+    if (!czar_gradients_os) return;
     czar_gradients->write_multicol(*czar_gradients_os);
     cvm::proxy->close_output_stream(czar_gradients_out_name);
 
@@ -688,20 +666,14 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool app
 
       std::string  czar_pmf_out_name = prefix + ".czar.pmf";
       std::ostream *czar_pmf_os = cvm::proxy->output_stream(czar_pmf_out_name, mode);
-      if (!czar_pmf_os) {
-        cvm::error("Error opening CZAR pmf file " + czar_pmf_out_name + " for writing");
-        return;
-      }
+      if (!czar_pmf_os) return;
       czar_pmf->write_multicol(*czar_pmf_os);
 
       // In dimension higher than 2, dx is easier to handle and visualize
       if (num_variables() > 2) {
         std::string  czar_pmf_dx_out_name = prefix + ".czar.pmf.dx";
         std::ostream *czar_pmf_dx_os = cvm::proxy->output_stream(czar_pmf_dx_out_name, mode);
-        if (!czar_pmf_dx_os) {
-          cvm::error("Error opening CZAR pmf file " + czar_pmf_dx_out_name + " for writing");
-          return;
-        }
+        if (!czar_pmf_dx_os) return;
         czar_pmf->write_opendx(*czar_pmf_dx_os);
         *czar_pmf_dx_os << std::endl;
         cvm::proxy->close_output_stream(czar_pmf_dx_out_name);
@@ -854,3 +826,9 @@ std::istream & colvarbias_abf::read_state_data(std::istream& is)
 
   return is;
 }
+
+int colvarbias_abf::write_output_files()
+{
+  write_gradients_samples(output_prefix);
+  return COLVARS_OK;
+}
diff --git a/lib/colvars/colvarbias_abf.h b/lib/colvars/colvarbias_abf.h
index 0260401292..52bf2df210 100644
--- a/lib/colvars/colvarbias_abf.h
+++ b/lib/colvars/colvarbias_abf.h
@@ -136,13 +136,13 @@ private:
 
   /// Write human-readable FE gradients and sample count, and DX file in dim > 2
   void write_gradients_samples(const std::string &prefix, bool append = false);
-  void write_last_gradients_samples(const std::string &prefix, bool append = false);
 
   /// Read human-readable FE gradients and sample count (if not using restart)
   void read_gradients_samples();
 
-  std::istream& read_state_data(std::istream&);
-  std::ostream& write_state_data(std::ostream&);
+  virtual std::istream& read_state_data(std::istream&);
+  virtual std::ostream& write_state_data(std::ostream&);
+  virtual int write_output_files();
 };
 
 #endif
diff --git a/lib/colvars/colvarbias_restraint.cpp b/lib/colvars/colvarbias_restraint.cpp
index 4ed1a95f94..2daf7a0876 100644
--- a/lib/colvars/colvarbias_restraint.cpp
+++ b/lib/colvars/colvarbias_restraint.cpp
@@ -996,11 +996,16 @@ int colvarbias_restraint_harmonic_walls::init(std::string const &conf)
   if ((lower_walls.size() > 0) && (upper_walls.size() > 0)) {
     for (i = 0; i < num_variables(); i++) {
       if (lower_walls[i] >= upper_walls[i]) {
-        cvm::error("Error: one upper wall, "+
-                   cvm::to_str(upper_walls[i])+
-                   ", is not higher than the lower wall, "+
-                   cvm::to_str(lower_walls[i])+".\n",
-                   INPUT_ERROR);
+        return cvm::error("Error: one upper wall, "+
+                          cvm::to_str(upper_walls[i])+
+                          ", is not higher than the lower wall, "+
+                          cvm::to_str(lower_walls[i])+".\n",
+                          INPUT_ERROR);
+      }
+      if (variables(i)->dist2(lower_walls[i], upper_walls[i]) < 1.0e-12) {
+        return cvm::error("Error: lower wall and upper wall are equal "
+                          "in the domain of the variable \""+
+                          variables(i)->name+"\".\n", INPUT_ERROR);
       }
     }
     if (lower_wall_k * upper_wall_k == 0.0) {
@@ -1279,13 +1284,16 @@ cvm::real colvarbias_restraint_linear::energy_difference(std::string const &conf
 
 cvm::real colvarbias_restraint_linear::restraint_potential(size_t i) const
 {
-  return force_k / variables(i)->width * (variables(i)->value() - colvar_centers[i]);
+  return force_k / variables(i)->width * (variables(i)->value() -
+                                          colvar_centers[i]).sum();
 }
 
 
 colvarvalue const colvarbias_restraint_linear::restraint_force(size_t i) const
 {
-  return -1.0 * force_k / variables(i)->width;
+  colvarvalue dummy(variables(i)->value());
+  dummy.set_ones();
+  return -1.0 * force_k / variables(i)->width * dummy;
 }
 
 
diff --git a/lib/colvars/colvarcomp.cpp b/lib/colvars/colvarcomp.cpp
index 39b84b26d1..cb272eed05 100644
--- a/lib/colvars/colvarcomp.cpp
+++ b/lib/colvars/colvarcomp.cpp
@@ -43,16 +43,27 @@ colvar::cvc::cvc(std::string const &conf)
 
 int colvar::cvc::init(std::string const &conf)
 {
-  int error_code = COLVARS_OK;
   if (cvm::debug())
     cvm::log("Initializing cvc base object.\n");
 
-  get_keyval(conf, "name", this->name, this->name);
+  std::string const old_name(name);
+
   if (name.size() > 0) {
-    // Temporary description until child object is initialized
-    description = "cvc " + name;
-  } else {
-    description = "uninitialized cvc";
+    cvm::log("Updating configuration for component \""+name+"\"");
+  }
+
+  if (get_keyval(conf, "name", name, name)) {
+    if (name.size() > 0) {
+      description = "cvc \"" + name + "\" of type " + function_type;
+    } else {
+      description = "unnamed cvc";
+    }
+    if ((name != old_name) && (old_name.size() > 0)) {
+      cvm::error("Error: cannot rename component \""+old_name+
+                 "\" after initialization (new name = \""+name+"\")",
+                 INPUT_ERROR);
+      name = old_name;
+    }
   }
 
   get_keyval(conf, "componentCoeff", sup_coeff, sup_coeff);
@@ -78,7 +89,7 @@ int colvar::cvc::init(std::string const &conf)
   if (cvm::debug())
     cvm::log("Done initializing cvc base object.\n");
 
-  return error_code;
+  return cvm::get_error();
 }
 
 
diff --git a/lib/colvars/colvarcomp.h b/lib/colvars/colvarcomp.h
index b5c3b16098..1a6df3771e 100644
--- a/lib/colvars/colvarcomp.h
+++ b/lib/colvars/colvarcomp.h
@@ -82,6 +82,9 @@ public:
   /// this variable definition should be set within the constructor.
   std::string function_type;
 
+  /// Keyword used in the input to denote this CVC
+  std::string config_key;
+
   /// \brief Coefficient in the polynomial combination (default: 1.0)
   cvm::real sup_coeff;
   /// \brief Exponent in the polynomial combination (default: 1)
@@ -834,49 +837,70 @@ protected:
   cvm::real     r0;
   /// \brief "Cutoff vector" for anisotropic calculation
   cvm::rvector  r0_vec;
-  /// \brief Wheter dist/r0 or \vec{dist}*\vec{1/r0_vec} should ne be
-  /// used
+  /// \brief Whether r/r0 or \vec{r}*\vec{1/r0_vec} should be used
   bool b_anisotropic;
   /// Integer exponent of the function numerator
   int en;
   /// Integer exponent of the function denominator
   int ed;
-  /// \brief If true, group2 will be treated as a single atom
-  /// (default: loop over all pairs of atoms in group1 and group2)
-  bool b_group2_center_only;
+
+  /// \brief If true, group2 will be treated as a single atom, stored in this
+  /// accessory group
+  cvm::atom_group *group2_center;
+
+  /// Tolerance for the pair list
+  cvm::real tolerance;
+
+  /// Frequency of update of the pair list
+  int pairlist_freq;
+
+  /// Pair list
+  bool *pairlist;
+
 public:
-  /// Constructor
+
   coordnum(std::string const &conf);
   coordnum();
-  virtual ~coordnum() {}
+  ~coordnum();
+
   virtual void calc_value();
   virtual void calc_gradients();
   virtual void apply_force(colvarvalue const &force);
-  template<bool b_gradients>
-  /// \brief Calculate a coordination number through the function
-  /// (1-x**n)/(1-x**m), x = |A1-A2|/r0 \param r0 "cutoff" for the
-  /// coordination number \param exp_num \i n exponent \param exp_den
-  /// \i m exponent \param A1 atom \param A2 atom
-  static cvm::real switching_function(cvm::real const &r0,
-                                      int const &exp_num, int const &exp_den,
-                                      cvm::atom &A1, cvm::atom &A2);
-
-  template<bool b_gradients>
-  /// \brief Calculate a coordination number through the function
-  /// (1-x**n)/(1-x**m), x = |(A1-A2)*(r0_vec)^-|1 \param r0_vec
-  /// vector of different cutoffs in the three directions \param
-  /// exp_num \i n exponent \param exp_den \i m exponent \param A1
-  /// atom \param A2 atom
-  static cvm::real switching_function(cvm::rvector const &r0_vec,
-                                      int const &exp_num, int const &exp_den,
-                                      cvm::atom &A1, cvm::atom &A2);
-
   virtual cvm::real dist2(colvarvalue const &x1,
                           colvarvalue const &x2) const;
   virtual colvarvalue dist2_lgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
+
+  enum {
+    ef_null = 0,
+    ef_gradients = 1,
+    ef_anisotropic = (1<<8),
+    ef_use_pairlist = (1<<9),
+    ef_rebuild_pairlist = (1<<10)
+  };
+
+  /// \brief Calculate a coordination number through the function
+  /// (1-x**n)/(1-x**m), where x = |A1-A2|/r0 \param r0, r0_vec "cutoff" for
+  /// the coordination number (scalar or vector depending on user choice)
+  /// \param en Numerator exponent \param ed Denominator exponent \param First
+  /// atom \param Second atom \param pairlist_elem pointer to pair flag for
+  /// this pair \param tolerance A pair is defined as having a larger
+  /// coordination than this number
+  template<int flags>
+  static cvm::real switching_function(cvm::real const &r0,
+                                      cvm::rvector const &r0_vec,
+                                      int en,
+                                      int ed,
+                                      cvm::atom &A1,
+                                      cvm::atom &A2,
+                                      bool **pairlist_elem,
+                                      cvm::real tolerance);
+
+  /// Main workhorse function
+  template<int flags> int compute_coordnum();
+
 };
 
 
@@ -887,7 +911,8 @@ class colvar::selfcoordnum
   : public colvar::cvc
 {
 protected:
-  /// First atom group
+
+  /// Selected atoms
   cvm::atom_group  *group1;
   /// \brief "Cutoff" for isotropic calculation (default)
   cvm::real     r0;
@@ -895,22 +920,18 @@ protected:
   int en;
   /// Integer exponent of the function denominator
   int ed;
+  cvm::real tolerance;
+  int pairlist_freq;
+  bool *pairlist;
+
 public:
-  /// Constructor
+
   selfcoordnum(std::string const &conf);
   selfcoordnum();
-  virtual ~selfcoordnum() {}
+  ~selfcoordnum();
   virtual void calc_value();
   virtual void calc_gradients();
   virtual void apply_force(colvarvalue const &force);
-  template<bool b_gradients>
-  /// \brief Calculate a coordination number through the function
-  /// (1-x**n)/(1-x**m), x = |A1-A2|/r0 \param r0 "cutoff" for the
-  /// coordination number \param exp_num \i n exponent \param exp_den
-  /// \i m exponent \param A1 atom \param A2 atom
-  static cvm::real switching_function(cvm::real const &r0,
-                                      int const &exp_num, int const &exp_den,
-                                      cvm::atom &A1, cvm::atom &A2);
 
   virtual cvm::real dist2(colvarvalue const &x1,
                           colvarvalue const &x2) const;
@@ -918,6 +939,9 @@ public:
                                   colvarvalue const &x2) const;
   virtual colvarvalue dist2_rgrad(colvarvalue const &x1,
                                   colvarvalue const &x2) const;
+
+  /// Main workhorse function
+  template<int flags> int compute_selfcoordnum();
 };
 
 
@@ -947,26 +971,6 @@ public:
   virtual void calc_value();
   virtual void calc_gradients();
   virtual void apply_force(colvarvalue const &force);
-  template<bool b_gradients>
-  /// \brief Calculate a coordination number through the function
-  /// (1-x**n)/(1-x**m), x = |A1-A2|/r0 \param r0 "cutoff" for the
-  /// coordination number \param exp_num \i n exponent \param exp_den
-  /// \i m exponent \param A1 atom \param A2 atom
-  static cvm::real switching_function(cvm::real const &r0,
-                                      int const &exp_num, int const &exp_den,
-                                      cvm::atom &A1, cvm::atom &A2);
-
-  /*
-  template<bool b_gradients>
-  /// \brief Calculate a coordination number through the function
-  /// (1-x**n)/(1-x**m), x = |(A1-A2)*(r0_vec)^-|1 \param r0_vec
-  /// vector of different cutoffs in the three directions \param
-  /// exp_num \i n exponent \param exp_den \i m exponent \param A1
-  /// atom \param A2 atom
-  static cvm::real switching_function(cvm::rvector const &r0_vec,
-                                      int const &exp_num, int const &exp_den,
-                                      cvm::atom &A1, cvm::atom &A2);
-  */
 
   virtual cvm::real dist2(colvarvalue const &x1,
                           colvarvalue const &x2) const;
diff --git a/lib/colvars/colvarcomp_coordnums.cpp b/lib/colvars/colvarcomp_coordnums.cpp
index c34dc77215..ec53391ef5 100644
--- a/lib/colvars/colvarcomp_coordnums.cpp
+++ b/lib/colvars/colvarcomp_coordnums.cpp
@@ -18,45 +18,36 @@
 
 
 
-
-template<bool calculate_gradients>
+template<int flags>
 cvm::real colvar::coordnum::switching_function(cvm::real const &r0,
-                                               int const &en,
-                                               int const &ed,
+                                               cvm::rvector const &r0_vec,
+                                               int en,
+                                               int ed,
                                                cvm::atom &A1,
-                                               cvm::atom &A2)
+                                               cvm::atom &A2,
+                                               bool **pairlist_elem,
+                                               cvm::real pairlist_tol)
 {
-  cvm::rvector const diff = cvm::position_distance(A1.pos, A2.pos);
-  cvm::real const l2 = diff.norm2()/(r0*r0);
-
-  // Assume en and ed are even integers, and avoid sqrt in the following
-  int const en2 = en/2;
-  int const ed2 = ed/2;
-
-  cvm::real const xn = cvm::integer_power(l2, en2);
-  cvm::real const xd = cvm::integer_power(l2, ed2);
-  cvm::real const func = (1.0-xn)/(1.0-xd);
-
-  if (calculate_gradients) {
-    cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2) - func*ed2*(xd/l2))*(-1.0);
-    cvm::rvector const dl2dx = (2.0/(r0*r0))*diff;
-    A1.grad += (-1.0)*dFdl2*dl2dx;
-    A2.grad +=        dFdl2*dl2dx;
+  if ((flags & ef_use_pairlist) && !(flags & ef_rebuild_pairlist)) {
+    bool const within = **pairlist_elem;
+    (*pairlist_elem)++;
+    if (!within) {
+      return 0.0;
+    }
   }
 
-  return func;
-}
+  cvm::rvector const r0sq_vec(r0_vec.x*r0_vec.x,
+                              r0_vec.y*r0_vec.y,
+                              r0_vec.z*r0_vec.z);
 
-
-template<bool calculate_gradients>
-cvm::real colvar::coordnum::switching_function(cvm::rvector const &r0_vec,
-                                               int const &en,
-                                               int const &ed,
-                                               cvm::atom &A1,
-                                               cvm::atom &A2)
-{
   cvm::rvector const diff = cvm::position_distance(A1.pos, A2.pos);
-  cvm::rvector const scal_diff(diff.x/r0_vec.x, diff.y/r0_vec.y, diff.z/r0_vec.z);
+
+  cvm::rvector const scal_diff(diff.x/((flags & ef_anisotropic) ?
+                                       r0_vec.x : r0),
+                               diff.y/((flags & ef_anisotropic) ?
+                                       r0_vec.y : r0),
+                               diff.z/((flags & ef_anisotropic) ?
+                                       r0_vec.z : r0));
   cvm::real const l2 = scal_diff.norm2();
 
   // Assume en and ed are even integers, and avoid sqrt in the following
@@ -65,22 +56,45 @@ cvm::real colvar::coordnum::switching_function(cvm::rvector const &r0_vec,
 
   cvm::real const xn = cvm::integer_power(l2, en2);
   cvm::real const xd = cvm::integer_power(l2, ed2);
-  cvm::real const func = (1.0-xn)/(1.0-xd);
+  //The subtraction and division stretches the function back to the range of [0,1] from [pairlist_tol,1]
+  cvm::real const func = (((1.0-xn)/(1.0-xd)) - pairlist_tol) / (1.0-pairlist_tol);
 
-  if (calculate_gradients) {
-    cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2) - func*ed2*(xd/l2))*(-1.0);
-    cvm::rvector const dl2dx((2.0/(r0_vec.x*r0_vec.x))*diff.x,
-                             (2.0/(r0_vec.y*r0_vec.y))*diff.y,
-                             (2.0/(r0_vec.z*r0_vec.z))*diff.z);
+  if (flags & ef_rebuild_pairlist) {
+    //Particles just outside of the cutoff also are considered if they come near.
+    **pairlist_elem = (func > (-pairlist_tol * 0.5)) ? true : false;
+    (*pairlist_elem)++;
+  }
+  //If the value is too small, we need to exclude it, rather than let it contribute to the sum or the gradients.
+  if (func < 0)
+    return 0;
+
+  if (flags & ef_gradients) {
+    //This is the old, completely correct expression for dFdl2:
+    //cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2) -
+    //                                        func*ed2*(xd/l2))*(-1.0);
+    //This can become:
+    //cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2)*(1.0-xn)/(1.0-xn) -
+    //                                        func*ed2*(xd/l2))*(-1.0);
+    //Recognizing that func = (1.0-xn)/(1.0-xd), we can group together the "func" and get a version of dFdl2 that is 0
+    //when func=0, which lets us skip this gradient calculation when func=0.
+    cvm::real const dFdl2 = func * ((ed2*xd/((1.0-xd)*l2)) - (en2*xn/((1.0-xn)*l2)));
+    cvm::rvector const dl2dx((2.0/((flags & ef_anisotropic) ? r0sq_vec.x :
+                                   r0*r0)) * diff.x,
+                             (2.0/((flags & ef_anisotropic) ? r0sq_vec.y :
+                                   r0*r0)) * diff.y,
+                             (2.0/((flags & ef_anisotropic) ? r0sq_vec.z :
+                                   r0*r0)) * diff.z);
     A1.grad += (-1.0)*dFdl2*dl2dx;
     A2.grad +=        dFdl2*dl2dx;
   }
+
   return func;
 }
 
 
 colvar::coordnum::coordnum(std::string const &conf)
-  : cvc(conf), b_anisotropic(false), b_group2_center_only(false)
+  : cvc(conf), b_anisotropic(false), group2_center(NULL), pairlist(NULL)
+
 {
   function_type = "coordnum";
   x.type(colvarvalue::type_scalar);
@@ -90,23 +104,26 @@ colvar::coordnum::coordnum(std::string const &conf)
 
   if (int atom_number = cvm::atom_group::overlap(*group1, *group2)) {
     cvm::error("Error: group1 and group2 share a common atom (number: " +
-      cvm::to_str(atom_number) + ")\n");
+               cvm::to_str(atom_number) + ")\n", INPUT_ERROR);
     return;
   }
 
   if (group1->b_dummy) {
-    cvm::error("Error: only group2 is allowed to be a dummy atom\n");
+    cvm::error("Error: only group2 is allowed to be a dummy atom\n",
+               INPUT_ERROR);
     return;
   }
 
   bool const b_isotropic = get_keyval(conf, "cutoff", r0,
                                       cvm::real(4.0 * cvm::unit_angstrom()));
 
-  if (get_keyval(conf, "cutoff3", r0_vec, cvm::rvector(4.0 * cvm::unit_angstrom(),
-                                                       4.0 * cvm::unit_angstrom(),
-                                                       4.0 * cvm::unit_angstrom()))) {
+  if (get_keyval(conf, "cutoff3", r0_vec,
+                 cvm::rvector(4.0 * cvm::unit_angstrom(),
+                              4.0 * cvm::unit_angstrom(),
+                              4.0 * cvm::unit_angstrom()))) {
     if (b_isotropic) {
-      cvm::error("Error: cannot specify \"cutoff\" and \"cutoff3\" at the same time.\n",
+      cvm::error("Error: cannot specify \"cutoff\" and \"cutoff3\" "
+                 "at the same time.\n",
                  INPUT_ERROR);
       return;
     }
@@ -135,86 +152,178 @@ colvar::coordnum::coordnum(std::string const &conf)
     cvm::log("Warning: only minimum-image distances are used by this variable.\n");
   }
 
+  bool b_group2_center_only = false;
   get_keyval(conf, "group2CenterOnly", b_group2_center_only, group2->b_dummy);
+  if (b_group2_center_only) {
+    if (!group2_center) {
+      group2_center = new cvm::atom_group();
+      group2_center->add_atom(cvm::atom());
+    }
+  }
+
+  get_keyval(conf, "tolerance", tolerance, 0.0);
+  if (tolerance > 0) {
+    get_keyval(conf, "pairListFrequency", pairlist_freq, 100);
+    if ( ! (pairlist_freq > 0) ) {
+      cvm::error("Error: non-positive pairlistfrequency provided.\n",
+                 INPUT_ERROR);
+      return; // and do not allocate the pairlists below
+    }
+    if (b_group2_center_only) {
+      pairlist = new bool[group1->size()];
+    }
+    else {
+      pairlist = new bool[group1->size() * group2->size()];
+    }
+  }
+
 }
 
 
 colvar::coordnum::coordnum()
-  : b_anisotropic(false), b_group2_center_only(false)
+  : b_anisotropic(false), group2_center(NULL), pairlist(NULL)
 {
   function_type = "coordnum";
   x.type(colvarvalue::type_scalar);
 }
 
 
-void colvar::coordnum::calc_value()
+colvar::coordnum::~coordnum()
 {
-  x.real_value = 0.0;
+  if (pairlist != NULL) {
+    delete [] pairlist;
+  }
+  if (group2_center != NULL) {
+    delete group2_center;
+  }
+}
 
-  if (b_group2_center_only) {
 
-    // create a fake atom to hold the group2 com coordinates
-    cvm::atom group2_com_atom;
-    group2_com_atom.pos = group2->center_of_mass();
+template<int compute_flags> int colvar::coordnum::compute_coordnum()
+{
+  if (group2_center) {
+    (*group2_center)[0].pos = group2->center_of_mass();
+    group2_center->calc_required_properties();
+  }
+  cvm::atom_group *group2p = group2_center ? group2_center : group2;
 
-    if (b_anisotropic) {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        x.real_value += switching_function<false>(r0_vec, en, ed, *ai1, group2_com_atom);
-    } else {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        x.real_value += switching_function<false>(r0, en, ed, *ai1, group2_com_atom);
+  bool const use_pairlist = (pairlist != NULL);
+  bool const rebuild_pairlist = (pairlist != NULL) &&
+    (cvm::step_relative() % pairlist_freq == 0);
+
+  bool *pairlist_elem = use_pairlist ? pairlist : NULL;
+  cvm::atom_iter ai1 = group1->begin(), ai2 = group2p->begin();
+  cvm::atom_iter const ai1_end = group1->end();
+  cvm::atom_iter const ai2_end = group2p->end();
+
+  if (b_anisotropic) {
+
+    if (use_pairlist) {
+
+      if (rebuild_pairlist) {
+
+        int const flags = compute_flags | ef_anisotropic | ef_use_pairlist |
+          ef_rebuild_pairlist;
+        for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+          for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+            x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                      *ai1, *ai2,
+                                                      &pairlist_elem,
+                                                      tolerance);
+          }
+        }
+
+      } else {
+
+        int const flags = compute_flags | ef_anisotropic | ef_use_pairlist;
+        for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+          for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+            x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                      *ai1, *ai2,
+                                                      &pairlist_elem,
+                                                      tolerance);
+          }
+        }
+      }
+
+    } else { // if (use_pairlist) {
+
+      int const flags = compute_flags | ef_anisotropic;
+      for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+        for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+          x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                    *ai1, *ai2,
+                                                    NULL, 0.0);
+        }
+      }
     }
 
   } else {
 
-    if (b_anisotropic) {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        for (cvm::atom_iter ai2 = group2->begin(); ai2 != group2->end(); ai2++) {
-          x.real_value += switching_function<false>(r0_vec, en, ed, *ai1, *ai2);
+    if (use_pairlist) {
+
+      if (rebuild_pairlist) {
+
+        int const flags = compute_flags | ef_use_pairlist | ef_rebuild_pairlist;
+        for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+          for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+            x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                      *ai1, *ai2,
+                                                      &pairlist_elem,
+                                                      tolerance);
+          }
         }
-    } else {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        for (cvm::atom_iter ai2 = group2->begin(); ai2 != group2->end(); ai2++) {
-          x.real_value += switching_function<false>(r0, en, ed, *ai1, *ai2);
+
+      } else {
+
+        int const flags = compute_flags | ef_use_pairlist;
+        for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+          for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+            x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                      *ai1, *ai2,
+                                                      &pairlist_elem,
+                                                      tolerance);
+          }
         }
+      }
+
+    } else { // if (use_pairlist) {
+
+      int const flags = compute_flags;
+      for (ai1 = group1->begin(); ai1 != ai1_end; ai1++) {
+        for (ai2 = group2->begin(); ai2 != ai2_end; ai2++) {
+          x.real_value += switching_function<flags>(r0, r0_vec, en, ed,
+                                                    *ai1, *ai2,
+                                                    NULL, 0.0);
+        }
+      }
     }
   }
+
+  if (compute_flags & ef_gradients) {
+    if (group2_center) {
+      group2->set_weighted_gradient((*group2_center)[0].grad);
+    }
+  }
+
+  return COLVARS_OK;
+}
+
+
+void colvar::coordnum::calc_value()
+{
+  x.real_value = 0.0;
+  if (is_enabled(f_cvc_gradient)) {
+    compute_coordnum<ef_gradients>();
+  } else {
+    compute_coordnum<ef_null>();
+  }
 }
 
 
 void colvar::coordnum::calc_gradients()
 {
-  if (b_group2_center_only) {
-
-    // create a fake atom to hold the group2 com coordinates
-    cvm::atom group2_com_atom;
-    group2_com_atom.pos = group2->center_of_mass();
-
-
-    if (b_anisotropic) {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        switching_function<true>(r0_vec, en, ed, *ai1, group2_com_atom);
-    } else {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        switching_function<true>(r0, en, ed, *ai1, group2_com_atom);
-    }
-
-    group2->set_weighted_gradient(group2_com_atom.grad);
-
-  } else {
-
-    if (b_anisotropic) {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        for (cvm::atom_iter ai2 = group2->begin(); ai2 != group2->end(); ai2++) {
-          switching_function<true>(r0_vec, en, ed, *ai1, *ai2);
-        }
-    } else {
-      for (cvm::atom_iter ai1 = group1->begin(); ai1 != group1->end(); ai1++)
-        for (cvm::atom_iter ai2 = group2->begin(); ai2 != group2->end(); ai2++) {
-          switching_function<true>(r0, en, ed, *ai1, *ai2);
-        }
-    }
-  }
+  // Gradients are computed by calc_value() if f_cvc_gradients is enabled
 }
 
 
@@ -235,7 +344,7 @@ simple_scalar_dist_functions(coordnum)
 // h_bond member functions
 
 colvar::h_bond::h_bond(std::string const &conf)
-  : cvc(conf)
+: cvc(conf)
 {
   if (cvm::debug())
     cvm::log("Initializing h_bond object.\n");
@@ -307,13 +416,24 @@ colvar::h_bond::~h_bond()
 
 void colvar::h_bond::calc_value()
 {
-  x.real_value = colvar::coordnum::switching_function<false>(r0, en, ed, (*atom_groups[0])[0], (*atom_groups[0])[1]);
+  int const flags = coordnum::ef_null;
+  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
+  x.real_value =
+    coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                        (*atom_groups[0])[0],
+                                        (*atom_groups[0])[1],
+                                        NULL, 0.0);
 }
 
 
 void colvar::h_bond::calc_gradients()
 {
-  colvar::coordnum::switching_function<true>(r0, en, ed, (*atom_groups[0])[0], (*atom_groups[0])[1]);
+  int const flags = coordnum::ef_gradients;
+  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
+  coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                      (*atom_groups[0])[0],
+                                      (*atom_groups[0])[1],
+                                      NULL, 0.0);
 }
 
 
@@ -328,7 +448,7 @@ simple_scalar_dist_functions(h_bond)
 
 
 colvar::selfcoordnum::selfcoordnum(std::string const &conf)
-  : cvc(conf)
+  : cvc(conf), pairlist(NULL)
 {
   function_type = "selfcoordnum";
   x.type(colvarvalue::type_scalar);
@@ -353,36 +473,115 @@ colvar::selfcoordnum::selfcoordnum(std::string const &conf)
   if (!is_enabled(f_cvc_pbc_minimum_image)) {
     cvm::log("Warning: only minimum-image distances are used by this variable.\n");
   }
+
+  get_keyval(conf, "tolerance", tolerance, 0.0);
+  if (tolerance > 0) {
+    get_keyval(conf, "pairListFrequency", pairlist_freq, 100);
+    if ( ! (pairlist_freq > 0) ) {
+      cvm::error("Error: non-positive pairlistfrequency provided.\n",
+                 INPUT_ERROR);
+      return;
+    }
+    pairlist = new bool[(group1->size()-1) * (group1->size()-1)];
+  }
 }
 
 
 colvar::selfcoordnum::selfcoordnum()
+  : pairlist(NULL)
 {
   function_type = "selfcoordnum";
   x.type(colvarvalue::type_scalar);
 }
 
 
+colvar::selfcoordnum::~selfcoordnum()
+{
+  if (pairlist != NULL) {
+    delete [] pairlist;
+  }
+}
+
+
+template<int compute_flags> int colvar::selfcoordnum::compute_selfcoordnum()
+{
+  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
+
+  bool const use_pairlist = (pairlist != NULL);
+  bool const rebuild_pairlist = (pairlist != NULL) &&
+    (cvm::step_relative() % pairlist_freq == 0);
+
+  bool *pairlist_elem = use_pairlist ? pairlist : NULL;
+  size_t i = 0, j = 0;
+  size_t const n = group1->size();
+
+  // Always isotropic (TODO: enable the ellipsoid?)
+
+  if (use_pairlist) {
+
+    if (rebuild_pairlist) {
+      int const flags = compute_flags | coordnum::ef_use_pairlist |
+        coordnum::ef_rebuild_pairlist;
+      for (i = 0; i < n - 1; i++) {
+        for (j = i + 1; j < n; j++) {
+          x.real_value +=
+            coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                                (*group1)[i],
+                                                (*group1)[j],
+                                                &pairlist_elem,
+                                                tolerance);
+        }
+      }
+    } else {
+      int const flags = compute_flags | coordnum::ef_use_pairlist;
+      for (i = 0; i < n - 1; i++) {
+        for (j = i + 1; j < n; j++) {
+          x.real_value +=
+            coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                                (*group1)[i],
+                                                (*group1)[j],
+                                                &pairlist_elem,
+                                                tolerance);
+        }
+      }
+    }
+
+  } else { // if (use_pairlist) {
+
+    int const flags = compute_flags | coordnum::ef_null;
+    for (i = 0; i < n - 1; i++) {
+      for (j = i + 1; j < n; j++) {
+        x.real_value +=
+          coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                              (*group1)[i],
+                                              (*group1)[j],
+                                              &pairlist_elem,
+                                              tolerance);
+      }
+    }
+  }
+
+  return COLVARS_OK;
+}
+
+
 void colvar::selfcoordnum::calc_value()
 {
   x.real_value = 0.0;
-  for (size_t i = 0; i < group1->size() - 1; i++) {
-    for (size_t j = i + 1; j < group1->size(); j++) {
-      x.real_value += colvar::coordnum::switching_function<false>(r0, en, ed, (*group1)[i], (*group1)[j]);
-    }
+  if (is_enabled(f_cvc_gradient)) {
+    compute_selfcoordnum<coordnum::ef_gradients>();
+  } else {
+    compute_selfcoordnum<coordnum::ef_null>();
   }
 }
 
 
 void colvar::selfcoordnum::calc_gradients()
 {
-  for (size_t i = 0; i < group1->size() - 1; i++) {
-    for (size_t j = i + 1; j < group1->size(); j++) {
-      colvar::coordnum::switching_function<true>(r0, en, ed, (*group1)[i], (*group1)[j]);
-    }
-  }
+  // Gradients are computed by calc_value() if f_cvc_gradients is enabled
 }
 
+
 void colvar::selfcoordnum::apply_force(colvarvalue const &force)
 {
   if (!group1->noforce) {
@@ -394,6 +593,7 @@ void colvar::selfcoordnum::apply_force(colvarvalue const &force)
 simple_scalar_dist_functions(selfcoordnum)
 
 
+
 // groupcoordnum member functions
 colvar::groupcoordnum::groupcoordnum(std::string const &conf)
   : distance(conf), b_anisotropic(false)
@@ -415,7 +615,7 @@ colvar::groupcoordnum::groupcoordnum(std::string const &conf)
 
     if (b_scale) {
       cvm::error("Error: cannot specify \"scale\" and "
-                       "\"scale3\" at the same time.\n");
+                 "\"scale3\" at the same time.\n");
       return;
     }
     b_anisotropic = true;
@@ -453,95 +653,56 @@ colvar::groupcoordnum::groupcoordnum()
 }
 
 
-template<bool calculate_gradients>
-cvm::real colvar::groupcoordnum::switching_function(cvm::real const &r0,
-                                                    int const &en,
-                                                    int const &ed,
-                                                    cvm::atom &A1,
-                                                    cvm::atom &A2)
-{
-  cvm::rvector const diff = cvm::position_distance(A1.pos, A2.pos);
-  cvm::real const l2 = diff.norm2()/(r0*r0);
-
-  // Assume en and ed are even integers, and avoid sqrt in the following
-  int const en2 = en/2;
-  int const ed2 = ed/2;
-
-  cvm::real const xn = cvm::integer_power(l2, en2);
-  cvm::real const xd = cvm::integer_power(l2, ed2);
-  cvm::real const func = (1.0-xn)/(1.0-xd);
-
-  if (calculate_gradients) {
-    cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2) - func*ed2*(xd/l2))*(-1.0);
-    cvm::rvector const dl2dx = (2.0/(r0*r0))*diff;
-    A1.grad += (-1.0)*dFdl2*dl2dx;
-    A2.grad +=        dFdl2*dl2dx;
-  }
-
-  return func;
-}
-
-
-#if 0  // AMG: I don't think there's any reason to support anisotropic,
-       //      and I don't have those flags below in calc_value, but
-       //      if I need them, I'll also need to uncomment this method
-template<bool calculate_gradients>
-cvm::real colvar::groupcoordnum::switching_function(cvm::rvector const &r0_vec,
-                                                    int const &en,
-                                                    int const &ed,
-                                                    cvm::atom &A1,
-                                                    cvm::atom &A2)
-{
-  cvm::rvector const diff = cvm::position_distance(A1.pos, A2.pos);
-  cvm::rvector const scal_diff(diff.x/r0_vec.x, diff.y/r0_vec.y, diff.z/r0_vec.z);
-  cvm::real const l2 = scal_diff.norm2();
-
-  // Assume en and ed are even integers, and avoid sqrt in the following
-  int const en2 = en/2;
-  int const ed2 = ed/2;
-
-  cvm::real const xn = cvm::integer_power(l2, en2);
-  cvm::real const xd = cvm::integer_power(l2, ed2);
-  cvm::real const func = (1.0-xn)/(1.0-xd);
-
-  if (calculate_gradients) {
-    cvm::real const dFdl2 = (1.0/(1.0-xd))*(en2*(xn/l2) - func*ed2*(xd/l2))*(-1.0);
-    cvm::rvector const dl2dx((2.0/(r0_vec.x*r0_vec.x))*diff.x,
-                             (2.0/(r0_vec.y*r0_vec.y))*diff.y,
-                             (2.0/(r0_vec.z*r0_vec.z))*diff.z);
-    A1.grad += (-1.0)*dFdl2*dl2dx;
-    A2.grad +=        dFdl2*dl2dx;
-  }
-  return func;
-}
-#endif
-
-
 void colvar::groupcoordnum::calc_value()
 {
+  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
 
   // create fake atoms to hold the com coordinates
   cvm::atom group1_com_atom;
   cvm::atom group2_com_atom;
   group1_com_atom.pos = group1->center_of_mass();
   group2_com_atom.pos = group2->center_of_mass();
-
-  x.real_value = coordnum::switching_function<false>(r0, en, ed,
-                                                     group1_com_atom, group2_com_atom);
+  if (b_anisotropic) {
+    int const flags = coordnum::ef_anisotropic;
+    x.real_value = coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                                       group1_com_atom,
+                                                       group2_com_atom,
+                                                       NULL, 0.0);
+  } else {
+    int const flags = coordnum::ef_null;
+    x.real_value = coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                                       group1_com_atom,
+                                                       group2_com_atom,
+                                                       NULL, 0.0);
+  }
 }
 
 
 void colvar::groupcoordnum::calc_gradients()
 {
+  cvm::rvector const r0_vec(0.0); // TODO enable the flag?
+
   cvm::atom group1_com_atom;
   cvm::atom group2_com_atom;
   group1_com_atom.pos = group1->center_of_mass();
   group2_com_atom.pos = group2->center_of_mass();
 
-  coordnum::switching_function<true>(r0, en, ed, group1_com_atom, group2_com_atom);
+  if (b_anisotropic) {
+    int const flags = coordnum::ef_gradients | coordnum::ef_anisotropic;
+    coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                        group1_com_atom,
+                                        group2_com_atom,
+                                        NULL, 0.0);
+  } else {
+    int const flags = coordnum::ef_gradients;
+    coordnum::switching_function<flags>(r0, r0_vec, en, ed,
+                                        group1_com_atom,
+                                        group2_com_atom,
+                                        NULL, 0.0);
+  }
+
   group1->set_weighted_gradient(group1_com_atom.grad);
   group2->set_weighted_gradient(group2_com_atom.grad);
-
 }
 
 
diff --git a/lib/colvars/colvarcomp_distances.cpp b/lib/colvars/colvarcomp_distances.cpp
index 57b2a9a625..a2b1a5cd23 100644
--- a/lib/colvars/colvarcomp_distances.cpp
+++ b/lib/colvars/colvarcomp_distances.cpp
@@ -939,7 +939,7 @@ colvar::rmsd::rmsd(std::string const &conf)
 
   bool b_Jacobian_derivative = true;
   if (atoms->fitting_group != NULL && b_Jacobian_derivative) {
-    cvm::log("The option \"refPositionsGroup\" (alternative group for fitting) was enabled: "
+    cvm::log("The option \"fittingGroup\" (alternative group for fitting) was enabled: "
               "Jacobian derivatives of the RMSD will not be calculated.\n");
     b_Jacobian_derivative = false;
   }
diff --git a/lib/colvars/colvarmodule.cpp b/lib/colvars/colvarmodule.cpp
index dc6242c5bc..87b08b1ef8 100644
--- a/lib/colvars/colvarmodule.cpp
+++ b/lib/colvars/colvarmodule.cpp
@@ -139,7 +139,7 @@ int colvarmodule::read_config_file(char const  *config_filename)
   // read the config file into a string
   std::string conf = "";
   std::string line;
-  while (colvarparse::getline_nocomments(config_s, line)) {
+  while (parse->read_config_line(config_s, line)) {
     // Delete lines that contain only white space after removing comments
     if (line.find_first_not_of(colvarparse::white_space) != std::string::npos)
       conf.append(line+"\n");
@@ -159,11 +159,12 @@ int colvarmodule::read_config_string(std::string const &config_str)
   // strip the comments away
   std::string conf = "";
   std::string line;
-  while (colvarparse::getline_nocomments(config_s, line)) {
+  while (parse->read_config_line(config_s, line)) {
     // Delete lines that contain only white space after removing comments
     if (line.find_first_not_of(colvarparse::white_space) != std::string::npos)
       conf.append(line+"\n");
   }
+
   return parse_config(conf);
 }
 
@@ -191,6 +192,12 @@ int colvarmodule::parse_config(std::string &conf)
 {
   extra_conf.clear();
 
+  // Check that the input has matching braces
+  if (colvarparse::check_braces(conf, 0) != COLVARS_OK) {
+    return cvm::error("Error: unmatched curly braces in configuration.\n",
+                      INPUT_ERROR);
+  }
+
   // Parse global options
   if (catch_input_errors(parse_global_params(conf))) {
     return get_error();
@@ -235,6 +242,12 @@ int colvarmodule::parse_config(std::string &conf)
 }
 
 
+std::string const & colvarmodule::get_config() const
+{
+  return parse->get_config();
+}
+
+
 int colvarmodule::append_new_config(std::string const &new_conf)
 {
   extra_conf += new_conf;
@@ -246,9 +259,13 @@ int colvarmodule::parse_global_params(std::string const &conf)
 {
   colvarmodule *cvm = cvm::main();
 
-  std::string index_file_name;
-  if (parse->get_keyval(conf, "indexFile", index_file_name)) {
-    cvm->read_index_file(index_file_name.c_str());
+  {
+    std::string index_file_name;
+    size_t pos = 0;
+    while (parse->key_lookup(conf, "indexFile", &index_file_name, &pos)) {
+      cvm->read_index_file(index_file_name.c_str());
+      index_file_name.clear();
+    }
   }
 
   if (parse->get_keyval(conf, "smp", proxy->b_smp_active, proxy->b_smp_active)) {
@@ -1073,10 +1090,10 @@ colvarmodule::~colvarmodule()
 
 int colvarmodule::reset()
 {
-  parse->init();
-
   cvm::log("Resetting the Collective Variables module.\n");
 
+  parse->init();
+
   // Iterate backwards because we are deleting the elements as we go
   for (std::vector<colvarbias *>::reverse_iterator bi = biases.rbegin();
        bi != biases.rend();
diff --git a/lib/colvars/colvarmodule.h b/lib/colvars/colvarmodule.h
index f3d99a2b23..3d93798e0a 100644
--- a/lib/colvars/colvarmodule.h
+++ b/lib/colvars/colvarmodule.h
@@ -131,7 +131,7 @@ public:
 
   /// Module-wide error state
   /// see constants at the top of this file
-protected:
+private:
 
   static int errorCode;
 
@@ -274,6 +274,9 @@ public:
   /// \brief Parse a "clean" config string (no comments)
   int parse_config(std::string &conf);
 
+  /// Get the configuration string read so far (includes comments)
+  std::string const & get_config() const;
+
   // Parse functions (setup internal data based on a string)
 
   /// Allow reading from Windows text files using using std::getline
@@ -296,6 +299,9 @@ public:
 
 private:
 
+  /// Configuration string read so far by the module (includes comments)
+  std::string config_string;
+
   /// Auto-generated configuration during parsing (e.g. to implement
   /// back-compatibility)
   std::string extra_conf;
diff --git a/lib/colvars/colvarparse.cpp b/lib/colvars/colvarparse.cpp
index 43c8c69c04..d8b3a359cd 100644
--- a/lib/colvars/colvarparse.cpp
+++ b/lib/colvars/colvarparse.cpp
@@ -43,9 +43,10 @@ template<typename TYPE> bool colvarparse::_get_keyval_scalar_(std::string const
     }
   } while (b_found);
 
-  if (found_count > 1)
-    cvm::log("Warning: found more than one instance of \""+
-             std::string(key)+"\".\n");
+  if (found_count > 1) {
+    cvm::error("Error: found more than one instance of \""+
+               std::string(key)+"\".\n", INPUT_ERROR);
+  }
 
   if (data.size()) {
     std::istringstream is(data);
@@ -98,9 +99,10 @@ bool colvarparse::_get_keyval_scalar_string_(std::string const &conf,
     }
   } while (b_found);
 
-  if (found_count > 1)
-    cvm::log("Warning: found more than one instance of \""+
-             std::string(key)+"\".\n");
+  if (found_count > 1) {
+    cvm::error("Error: found more than one instance of \""+
+               std::string(key)+"\".\n", INPUT_ERROR);
+  }
 
   if (data.size()) {
     std::istringstream is(data);
@@ -162,9 +164,10 @@ template<typename TYPE> bool colvarparse::_get_keyval_vector_(std::string const
     }
   } while (b_found);
 
-  if (found_count > 1)
-    cvm::log("Warning: found more than one instance of \""+
-             std::string(key)+"\".\n");
+  if (found_count > 1) {
+    cvm::error("Error: found more than one instance of \""+
+               std::string(key)+"\".\n", INPUT_ERROR);
+  }
 
   if (data.size()) {
     std::istringstream is(data);
@@ -319,9 +322,10 @@ bool colvarparse::get_keyval(std::string const &conf,
     }
   } while (b_found);
 
-  if (found_count > 1)
-    cvm::log("Warning: found more than one instance of \""+
-             std::string(key)+"\".\n");
+  if (found_count > 1) {
+    cvm::error("Error: found more than one instance of \""+
+               std::string(key)+"\".\n", INPUT_ERROR);
+  }
 
   if (data.size()) {
     if ( (data == std::string("on")) ||
@@ -535,6 +539,19 @@ int colvarparse::check_keywords(std::string &conf, char const *key)
 }
 
 
+std::istream & colvarparse::read_config_line(std::istream &is,
+                                             std::string &line)
+{
+  cvm::getline(is, line);
+  config_string += line+'\n';
+  size_t const comment = line.find('#');
+  if (comment != std::string::npos) {
+    line.erase(comment);
+  }
+  return is;
+}
+
+
 std::istream & colvarparse::getline_nocomments(std::istream &is,
                                                std::string &line)
 {
@@ -607,7 +624,7 @@ bool colvarparse::key_lookup(std::string const &conf,
     }
 
     // check that there are matching braces between here and the end of conf
-    bool const b_not_within_block = brace_check(conf, pos);
+    bool const b_not_within_block = (check_braces(conf, pos) == COLVARS_OK);
 
     bool const b_isolated = (b_isolated_left && b_isolated_right &&
                              b_not_within_block);
@@ -781,19 +798,15 @@ std::istream & operator>> (std::istream &is, colvarparse::read_block const &rb)
 }
 
 
-bool colvarparse::brace_check(std::string const &conf,
+int colvarparse::check_braces(std::string const &conf,
                               size_t const start_pos)
 {
-  size_t brace_count = 0;
+  int brace_count = 0;
   size_t brace = start_pos;
-  while ( (brace = conf.find_first_of("{}", brace)) != std::string::npos) {
+  while ((brace = conf.find_first_of("{}", brace)) != std::string::npos) {
     if (conf[brace] == '{') brace_count++;
     if (conf[brace] == '}') brace_count--;
     brace++;
   }
-
-  if (brace_count != 0)
-    return false;
-  else
-    return true;
+  return (brace_count != 0) ? INPUT_ERROR : COLVARS_OK;
 }
diff --git a/lib/colvars/colvarparse.h b/lib/colvars/colvarparse.h
index 9389bc49da..28ad3c052b 100644
--- a/lib/colvars/colvarparse.h
+++ b/lib/colvars/colvarparse.h
@@ -24,7 +24,7 @@
 /// need to parse input inherit from this
 class colvarparse {
 
-private:
+protected:
 
   /// \brief List of legal keywords for this object: this is updated
   /// by each call to colvarparse::get_keyval() or
@@ -47,7 +47,7 @@ private:
   /// \brief Remove all the values from the config string
   void strip_values(std::string &conf);
 
-  /// \brief Configuration string of the object
+  /// \brief Configuration string of the object (includes comments)
   std::string config_string;
 
 public:
@@ -72,7 +72,7 @@ public:
   }
 
   /// Set a new config string for this object
-  inline void init(const std::string& conf)
+  inline void init(std::string const &conf)
   {
     if (! config_string.size()) {
       init();
@@ -80,7 +80,8 @@ public:
     }
   }
 
-  inline const std::string& get_config()
+  /// Get the configuration string (includes comments)
+  inline std::string const & get_config() const
   {
     return config_string;
   }
@@ -284,14 +285,19 @@ public:
                   std::string *data = NULL,
                   size_t *save_pos = NULL);
 
+  /// \brief Reads a configuration line, adds it to config_string, and returns
+  /// the stream \param is Input stream \param s String that will hold the
+  /// configuration line, with comments stripped
+  std::istream & read_config_line(std::istream &is, std::string &line);
+
   /// \brief Works as std::getline() but also removes everything
   /// between a comment character and the following newline
-  static std::istream & getline_nocomments(std::istream &is,
-                                           std::string &s);
+  static std::istream & getline_nocomments(std::istream &is, std::string &s);
 
-  /// Check if the content of the file has matching braces
-  bool brace_check(std::string const &conf,
-                   size_t const start_pos = 0);
+  /// \brief Check if the content of a config string has matching braces
+  /// \param conf The configuration string \param start_pos Start the count
+  /// from this position
+  static int check_braces(std::string const &conf, size_t const start_pos);
 
 };
 
diff --git a/lib/colvars/colvarproxy.cpp b/lib/colvars/colvarproxy.cpp
index 86338dfd1b..da9257eee2 100644
--- a/lib/colvars/colvarproxy.cpp
+++ b/lib/colvars/colvarproxy.cpp
@@ -289,13 +289,23 @@ colvarproxy_smp::colvarproxy_smp()
   omp_lock_state = NULL;
 #if defined(_OPENMP)
   if (smp_thread_id() == 0) {
+    omp_lock_state = reinterpret_cast<void *>(new omp_lock_t);
     omp_init_lock(reinterpret_cast<omp_lock_t *>(omp_lock_state));
   }
 #endif
 }
 
 
-colvarproxy_smp::~colvarproxy_smp() {}
+colvarproxy_smp::~colvarproxy_smp()
+{
+#if defined(_OPENMP)
+  if (smp_thread_id() == 0) {
+    if (omp_lock_state) {
+      delete reinterpret_cast<omp_lock_t *>(omp_lock_state);
+    }
+  }
+#endif
+}
 
 
 int colvarproxy_smp::smp_enabled()
@@ -499,6 +509,14 @@ char const *colvarproxy_script::script_obj_to_str(unsigned char *obj)
 }
 
 
+std::vector<std::string> colvarproxy_script::script_obj_to_str_vector(unsigned char *obj)
+{
+  cvm::error("Error: trying to print a script object without a scripting "
+             "language interface.\n", BUG_ERROR);
+  return std::vector<std::string>();
+}
+
+
 int colvarproxy_script::run_force_callback()
 {
   return COLVARS_NOT_IMPLEMENTED;
diff --git a/lib/colvars/colvarproxy.h b/lib/colvars/colvarproxy.h
index 845f93c9bc..3ff5f3c697 100644
--- a/lib/colvars/colvarproxy.h
+++ b/lib/colvars/colvarproxy.h
@@ -461,6 +461,9 @@ public:
   /// Convert a script object (Tcl or Python call argument) to a C string
   virtual char const *script_obj_to_str(unsigned char *obj);
 
+  /// Convert a script object (Tcl or Python call argument) to a vector of strings
+  virtual std::vector<std::string> script_obj_to_str_vector(unsigned char *obj);
+
   /// Pointer to the scripting interface object
   /// (does not need to be allocated in a new interface)
   colvarscript *script;
diff --git a/lib/colvars/colvars_version.h b/lib/colvars/colvars_version.h
index 68f5cd13ab..a37d264a20 100644
--- a/lib/colvars/colvars_version.h
+++ b/lib/colvars/colvars_version.h
@@ -1,5 +1,5 @@
 #ifndef COLVARS_VERSION
-#define COLVARS_VERSION "2018-04-29"
+#define COLVARS_VERSION "2018-10-16"
 // This file is part of the Collective Variables module (Colvars).
 // The original version of Colvars and its updates are located at:
 // https://github.com/colvars/colvars
diff --git a/lib/colvars/colvarscript.cpp b/lib/colvars/colvarscript.cpp
index a55e4c65d9..c9fe0497a9 100644
--- a/lib/colvars/colvarscript.cpp
+++ b/lib/colvars/colvarscript.cpp
@@ -82,6 +82,14 @@ int colvarscript::run(int objc, unsigned char *const objv[])
 
   int error_code = COLVARS_OK;
 
+  // If command is found in map, execute it
+  std::string const cmd_key("cv_"+cmd);
+  if (comm_str_map.count(cmd_key) > 0) {
+    error_code |= (*(comm_fns[comm_str_map[cmd_key]]))(
+                      reinterpret_cast<void *>(this), objc, objv);
+    return error_code;
+  }
+
   if (cmd == "colvar") {
     if (objc < 3) {
       result = "Missing parameters\n" + help_string();
@@ -295,11 +303,12 @@ int colvarscript::proc_colvar(colvar *cv, int objc, unsigned char *const objv[])
   }
 
   if (subcmd == "delete") {
-    size_t i;
-    for (i = 0; i < cv->biases.size(); i++) {
+    while (cv->biases.size() > 0) {
+      size_t i = cv->biases.size()-1;
+      cvm::log("Warning: before deleting colvar " + cv->name
+        + ", deleting parent bias " + cv->biases[i]->name);
       delete cv->biases[i];
     }
-    cv->biases.clear();
     // colvar destructor is tasked with the cleanup
     delete cv;
     // TODO this could be done by the destructors
@@ -373,6 +382,23 @@ int colvarscript::proc_colvar(colvar *cv, int objc, unsigned char *const objv[])
     return COLVARS_OK;
   }
 
+  if (subcmd == "modifycvcs") {
+    if (objc < 4) {
+      result = "cvcflags: missing parameter: vector of strings";
+      return COLVARSCRIPT_ERROR;
+    }
+    std::vector<std::string> const confs(proxy->script_obj_to_str_vector(objv[3]));
+    cvm::increase_depth();
+    int res = cv->update_cvc_config(confs);
+    cvm::decrease_depth();
+    if (res != COLVARS_OK) {
+      result = "Error setting CVC flags";
+      return COLVARSCRIPT_ERROR;
+    }
+    result = "0";
+    return COLVARS_OK;
+  }
+
   if ((subcmd == "get") || (subcmd == "set") || (subcmd == "state")) {
     return proc_features(cv, objc, objv);
   }
@@ -547,6 +573,8 @@ std::string colvarscript::help_string() const
 Managing the Colvars module:\n\
   configfile <file name>      -- read configuration from a file\n\
   config <string>             -- read configuration from the given string\n\
+  getconfig                   -- get the module's configuration string\n\
+  resetindexgroups            -- clear the index groups loaded so far\n\
   reset                       -- delete all internal configuration\n\
   delete                      -- delete this Colvars module instance\n\
   version                     -- return version of Colvars code\n\
@@ -579,6 +607,7 @@ Accessing collective variables:\n\
   colvar <name> gettotalforce -- return total force of colvar <name>\n\
   colvar <name> getconfig     -- return config string of colvar <name>\n\
   colvar <name> cvcflags <fl> -- enable or disable cvcs according to 0/1 flags\n\
+  colvar <name> modifycvcs <str> -- pass new config strings to each CVC\n\
   colvar <name> get <f>       -- get the value of the colvar feature <f>\n\
   colvar <name> set <f> <val> -- set the value of the colvar feature <f>\n\
 \n\
diff --git a/lib/colvars/colvarscript.h b/lib/colvars/colvarscript.h
index 39cd089340..313dbd661b 100644
--- a/lib/colvars/colvarscript.h
+++ b/lib/colvars/colvarscript.h
@@ -71,8 +71,10 @@ public:
     cv_help,
     cv_version,
     cv_config,
+    cv_getconfig,
     cv_configfile,
     cv_reset,
+    cv_resetindexgroups,
     cv_delete,
     cv_list,
     cv_list_biases,
@@ -254,6 +256,23 @@ extern "C" {
            return COLVARSCRIPT_ERROR;
            )
 
+  CVSCRIPT(cv_getconfig,
+           "Get the module's configuration string read so far",
+           0, 0,
+           { },
+           script->set_str_result(cvm::main()->get_config());
+           return COLVARS_OK;
+           )
+
+  CVSCRIPT(cv_resetindexgroups,
+           "Clear the index groups loaded so far, allowing to replace them",
+           0, 0,
+           { },
+           cvm::main()->index_group_names.clear();
+           cvm::main()->index_groups.clear();
+           return COLVARS_OK;
+           )
+
   CVSCRIPT(cv_addenergy,
            "Add an energy to the MD engine",
            1, 1,
diff --git a/lib/colvars/colvarvalue.cpp b/lib/colvars/colvarvalue.cpp
index 312d101603..86b99ed3d6 100644
--- a/lib/colvars/colvarvalue.cpp
+++ b/lib/colvars/colvarvalue.cpp
@@ -379,6 +379,40 @@ void colvarvalue::set_random()
 }
 
 
+void colvarvalue::set_ones(cvm::real assigned_value)
+{
+  size_t ic;
+  switch (this->type()) {
+  case colvarvalue::type_scalar:
+    this->real_value = assigned_value;
+    break;
+  case colvarvalue::type_3vector:
+  case colvarvalue::type_unit3vector:
+  case colvarvalue::type_unit3vectorderiv:
+    this->rvector_value.x = assigned_value;
+    this->rvector_value.y = assigned_value;
+    this->rvector_value.z = assigned_value;
+    break;
+  case colvarvalue::type_quaternion:
+  case colvarvalue::type_quaternionderiv:
+    this->quaternion_value.q0 = assigned_value;
+    this->quaternion_value.q1 = assigned_value;
+    this->quaternion_value.q2 = assigned_value;
+    this->quaternion_value.q3 = assigned_value;
+    break;
+  case colvarvalue::type_vector:
+    for (ic = 0; ic < this->vector1d_value.size(); ic++) {
+      this->vector1d_value[ic] = assigned_value;
+    }
+    break;
+  case colvarvalue::type_notset:
+  default:
+    undef_op();
+    break;
+  }
+}
+
+
 void colvarvalue::undef_op() const
 {
   cvm::error("Error: Undefined operation on a colvar of type \""+
diff --git a/lib/colvars/colvarvalue.h b/lib/colvars/colvarvalue.h
index 41759e92b0..25255e2f7c 100644
--- a/lib/colvars/colvarvalue.h
+++ b/lib/colvars/colvarvalue.h
@@ -187,6 +187,12 @@ public:
     return std::sqrt(this->norm2());
   }
 
+  /// Sum of the components of this colvarvalue (if more than one dimension)
+  cvm::real sum() const;
+
+  /// Return a colvarvalue object of the same type and all components set to 1
+  colvarvalue ones() const;
+
   /// Square distance between this \link colvarvalue \endlink and another
   cvm::real dist2(colvarvalue const &x2) const;
 
@@ -272,17 +278,21 @@ public:
   /// Get a single colvarvalue out of elements of the vector
   colvarvalue const get_elem(int const i_begin, int const i_end, Type const vt) const;
 
+  /// Get a single colvarvalue out of elements of the vector
+  colvarvalue const get_elem(int const icv) const;
+
+  /// Set elements of the vector from a single colvarvalue (uses the rank of x
+  /// to compute the length)
+  void set_elem(int const icv, colvarvalue const &x);
+
   /// Set elements of the vector from a single colvarvalue
   void set_elem(int const i_begin, int const i_end, colvarvalue const &x);
 
   /// Make each element a random number in N(0,1)
   void set_random();
 
-  /// Get a single colvarvalue out of elements of the vector
-  colvarvalue const get_elem(int const icv) const;
-
-  /// Set elements of the vector from a single colvarvalue
-  void set_elem(int const icv, colvarvalue const &x);
+  /// Make each element equal to the given argument
+  void set_ones(cvm::real assigned_value = 1.0);
 
   /// Get a scalar number out of an element of the vector
   cvm::real operator [] (int const i) const;
@@ -683,6 +693,29 @@ inline cvm::real colvarvalue::norm2() const
 }
 
 
+inline cvm::real colvarvalue::sum() const
+{
+  switch (value_type) {
+  case colvarvalue::type_scalar:
+    return (this->real_value);
+  case colvarvalue::type_3vector:
+  case colvarvalue::type_unit3vector:
+  case colvarvalue::type_unit3vectorderiv:
+    return (this->rvector_value).x + (this->rvector_value).y +
+      (this->rvector_value).z;
+  case colvarvalue::type_quaternion:
+  case colvarvalue::type_quaternionderiv:
+    return (this->quaternion_value).q0 + (this->quaternion_value).q1 +
+      (this->quaternion_value).q2 + (this->quaternion_value).q3;
+  case colvarvalue::type_vector:
+    return (this->vector1d_value).sum();
+  case colvarvalue::type_notset:
+  default:
+    return 0.0;
+  }
+}
+
+
 inline cvm::real colvarvalue::dist2(colvarvalue const &x2) const
 {
   colvarvalue::check_types(*this, x2);
diff --git a/src/USER-COLVARS/colvarproxy_lammps_version.h b/src/USER-COLVARS/colvarproxy_lammps_version.h
index 0d451212b2..edd6778c64 100644
--- a/src/USER-COLVARS/colvarproxy_lammps_version.h
+++ b/src/USER-COLVARS/colvarproxy_lammps_version.h
@@ -1,5 +1,5 @@
 #ifndef COLVARPROXY_VERSION
-#define COLVARPROXY_VERSION "2018-04-29"
+#define COLVARPROXY_VERSION "2018-08-29"
 // This file is part of the Collective Variables module (Colvars).
 // The original version of Colvars and its updates are located at:
 // https://github.com/colvars/colvars

From ea9746f26d1da69aa23468f0165561ec7aee8502 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 21:08:32 -0400
Subject: [PATCH 047/273] insert fix plumed docs into manual generation

---
 doc/src/fixes.txt   | 1 +
 doc/src/lammps.book | 1 +
 2 files changed, 2 insertions(+)

diff --git a/doc/src/fixes.txt b/doc/src/fixes.txt
index 66f6633124..601d8208fe 100644
--- a/doc/src/fixes.txt
+++ b/doc/src/fixes.txt
@@ -117,6 +117,7 @@ Fixes :h1
    fix_phonon
    fix_pimd
    fix_planeforce
+   fix_plumed
    fix_poems
    fix_pour
    fix_precession_spin
diff --git a/doc/src/lammps.book b/doc/src/lammps.book
index f739712f08..9c97d403d4 100644
--- a/doc/src/lammps.book
+++ b/doc/src/lammps.book
@@ -337,6 +337,7 @@ fix_orient.html
 fix_phonon.html
 fix_pimd.html
 fix_planeforce.html
+fix_plumed.html
 fix_poems.html
 fix_pour.html
 fix_precession_spin.html

From b7e507a2585fe8e42d203c503e106296d5cee650 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 21:08:45 -0400
Subject: [PATCH 048/273] fix typo and reformat

---
 doc/src/fix_plumed.txt | 107 +++++++++++++++++++++++------------------
 1 file changed, 60 insertions(+), 47 deletions(-)

diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index d9ee6dce39..d5fbcd88ef 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -12,82 +12,95 @@ fix plumed command :h3
 
 fix ID group-ID plumed keyword value ... :pre
 
-ID, group-ID are documented in "fix"_fix.html command :ulb,l 
-plumed = style name of this fix command :1
-keyword = {plumedfile} or {outfile} :1  
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+plumed = style name of this fix command :l
+keyword = {plumedfile} or {outfile} :l
   {plumedfile} arg = name of PLUMED input file to use (default: NULL)
-  {outfile} arg = name of file on which to write the PLUMED log (default: NULL)
-:ule 
+  {outfile} arg = name of file on which to write the PLUMED log (default: NULL) :pre
+:ule
 
 [Examples:]
 
-fix pl all plumed all plumed plumedfile plumed.dat outfile p.log 
+fix pl all plumed all plumed plumedfile plumed.dat outfile p.log
 
 [Description:]
 
-This fix instructs LAMMPS to call the PLUMED library, which allows one 
-to perform various forms of trajectory analysis on the fly and to also use
-methods such as umbrella sampling and metadynamics to enhance the sampling of 
-phase space.
+This fix instructs LAMMPS to call the PLUMED library, which allows one
+to perform various forms of trajectory analysis on the fly and to also
+use methods such as umbrella sampling and metadynamics to enhance the
+sampling of phase space.
 
-The documentation included here only describes the fix plumed command.  This command
-is LAMMPS specific whereas most of the functionality implemented in PLUMED will work with a 
-range of MD codes and also when PLUMED is used as a stand alone code.  The full documentation 
-for PLUMED is available at "this website"_http://www.plumed.org/documentation
+The documentation included here only describes the fix plumed command.
+This command is LAMMPS specific whereas most of the functionality
+implemented in PLUMED will work with a range of MD codes and also when
+PLUMED is used as a stand alone code.  The full documentation for PLUMED
+is available at "this website"_http://www.plumed.org/documentation
 
-The PLUMED library is developed at "https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2
-A detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
+The PLUMED library is developed at
+"https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2 A
+detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
 
 There are some example scripts for using this package with LAMMPS in the
 examples/USER/plumed directory.
 
 :line
 
-The command to call PLUMED above is reasonably self explanatory.  Within the input file 
-for lammps the user is required to specify the input file for PLUMED and a file on which 
-to output the PLUMED log.  The user must specify both of these arguments every time 
-PLUMED is to be used.  Furthermore, the fix plumed command should appear in the LAMMPS input
-file after the relevant input paramters (e.g. the timestep) have been set.  
+The command to call PLUMED above is reasonably self explanatory.  Within
+the input file for lammps the user is required to specify the input file
+for PLUMED and a file on which to output the PLUMED log.  The user must
+specify both of these arguments every time PLUMED is to be used.
+Furthermore, the fix plumed command should appear in the LAMMPS input
+file after the relevant input paramters (e.g. the timestep) have been
+set.
 
-The {group-ID} entry is ignored. LAMMPS will always pass all the atoms to PLUMED 
-and there can only be one instance of the plumed fix at a time. The plumed fix communicates
-the minimum amount of information required and the PLUMED supports multiple, completely 
-independent collective variables, multiple independent biases and multiple independent forms of analysis.
-There is thus really no restriction in functionality by only allowing only one plumed fix in the LAMMPS input.
+The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
+to PLUMED and there can only be one instance of the plumed fix at a
+time. The plumed fix communicates the minimum amount of information
+required and the PLUMED supports multiple, completely independent
+collective variables, multiple independent biases and multiple
+independent forms of analysis.  There is thus really no restriction in
+functionality by only allowing only one plumed fix in the LAMMPS input.
 
-The {plumedfile} keyword allows the user to specify the name of the PLUMED input file.
-Instructions as to what should be included in a plumed input file can be found in the 
-"documentation for PLUMED"_http://www.plumed.org/documentation.
+The {plumedfile} keyword allows the user to specify the name of the
+PLUMED input file.  Instructions as to what should be included in a
+plumed input file can be found in the "documentation for
+PLUMED"_http://www.plumed.org/documentation.
 
-The {outfile} keyword allows the user to specify the name of a file on which to output
-the PLUMED log.  This log file normally just parots the information that is contained in the input 
-file.  The names of the files on which the results from the various analyses that have been performed 
-using PLUMED will be specified by the user in the PLUMED input file. 
+The {outfile} keyword allows the user to specify the name of a file on
+which to output the PLUMED log.  This log file normally just parots the
+information that is contained in the input file.  The names of the files
+on which the results from the various analyses that have been performed
+using PLUMED will be specified by the user in the PLUMED input file.
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
-When performing a restart of a calculation that involves PLUMED you must include a RESTART command
-in the PLUMED input file as detailed in the "PLUMED documentation"_http://www.plumed.org/documentation.  When the restart 
-command is found in the PLUMED input PLUMED will append to the files that were generated in the run
-that was performed previously.  Furthermore, any history dependent bias potentials that were accumulated in 
-previous calculations will be read in when the restart command is included in the PLUMED input. 
+When performing a restart of a calculation that involves PLUMED you must
+include a RESTART command in the PLUMED input file as detailed in the
+"PLUMED documentation"_http://www.plumed.org/documentation.  When the
+restart command is found in the PLUMED input PLUMED will append to the
+files that were generated in the run that was performed previously.
+Furthermore, any history dependent bias potentials that were accumulated
+in previous calculations will be read in when the restart command is
+included in the PLUMED input.
 
-The "fix_modify"_fix_modify.html {energy} option is not supported by this fix.  
+The "fix_modify"_fix_modify.html {energy} option is not supported by
+this fix.
 
-Nothing is computed by this fix that can be accessed by any of the 
+Nothing is computed by this fix that can be accessed by any of the
 "output commands"_Howto_output.html within LAMMPS.  All the quantities
-of interest can be output by commands that are native to PLUMED, however. 
+of interest can be output by commands that are native to PLUMED,
+however.
 
 [Restrictions:]
 
 This fix is part of the USER-PLUMED package.  It is only enabled if
-LAMMPS was built with that package.  See the "Build 
+LAMMPS was built with that package.  See the "Build
 package"_Build_package.html doc page for more info.
 
 There can only be one plumed fix active at a time. Since the interface
-communicates only the minimum amount of information and since the PLUMED module
-itself can handle an arbitrary number of analysis and biasing methods, this is
-not a limitation of functionality.
+communicates only the minimum amount of information and since the PLUMED
+module itself can handle an arbitrary number of analysis and biasing
+methods, this is not a limitation of functionality.
 
 [Related commands:]
 
@@ -96,9 +109,9 @@ not a limitation of functionality.
 
 [Default:]
 
-The default options are plumedfile = NULL and outfile = NULL  
+The default options are plumedfile = NULL and outfile = NULL
 
 :line
 
 :link(PLUMED)
-[(PLUMED)] G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014) DOI:https://doi.org/10.1016/j.cpc.2013.09.018
+[(PLUMED)] G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014)

From 30518a993bfe6a402a232ff090c793bf4e8fd847 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 21:14:04 -0400
Subject: [PATCH 049/273] add LAMMPS header

---
 src/USER-PLUMED/fix_plumed.cpp | 16 ++++++++++++++++
 src/USER-PLUMED/fix_plumed.h   | 12 ++++++++++++
 2 files changed, 28 insertions(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 7c05a02335..b326940d94 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -1,3 +1,19 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Gareth Tribello (Queens U, Belfast)
+------------------------------------------------------------------------- */
 
 #include <cmath>
 #include <cstdlib>
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index d4bc037024..55671f7c9b 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -1,3 +1,15 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 
 #ifdef FIX_CLASS
 

From d185b34b191c629c41ad63f6d6af741a67f1eb34 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 21:19:53 -0400
Subject: [PATCH 050/273] reformat to closer match LAMMPS programming style

---
 src/USER-PLUMED/fix_plumed.h | 35 +++++++++++++----------------------
 1 file changed, 13 insertions(+), 22 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index 55671f7c9b..bc1d5af034 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -43,28 +43,19 @@ class FixPlumed : public Fix {
   double compute_scalar();
 
  private:
-// pointer to plumed object:
-  PLMD::Plumed *p;
-// number of atoms local to this process:
-  int nlocal;
-// array of atom indexes local to this process:
-  int *gatindex;
-// array of masses for local atoms:
-  double *masses;
-// array of charges for local atoms:
-  double *charges;
-// this is something to enable respa
-  int nlevels_respa;
-// output bias potential
-  double bias;
-// Compute for the energy
-  class Compute *c_pe; 
-// Compute for the pressure
-  class Compute *c_press; 
-// Flag to trigger calculation of the energy and virial
-  int plumedNeedsEnergy;
-// ID for potential energy and pressure compute
-  char  *id_pe, *id_press;
+
+  PLMD::Plumed *p;         // pointer to plumed object
+  int nlocal;              // number of atoms local to this process
+  int *gatindex;           // array of atom indexes local to this process
+  double *masses;          // array of masses for local atoms
+  double *charges;         // array of charges for local atoms
+  int nlevels_respa;       // this is something to enable respa
+  double bias;             // output bias potential
+  class Compute *c_pe;     // Compute for the energy
+  class Compute *c_press;  // Compute for the pressure
+  int plumedNeedsEnergy;   // Flag to trigger calculation of the
+                           // energy and virial
+  char  *id_pe, *id_press; // ID for potential energy and pressure compute
 };
 
 };

From df3390e224074b18ffe95f9623aef1f1c5be3261 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 21:33:30 -0400
Subject: [PATCH 051/273] update formatting to closer match LAMMPS' programming
 style

---
 src/USER-PLUMED/fix_plumed.cpp | 189 ++++++++++++++++++---------------
 1 file changed, 103 insertions(+), 86 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index b326940d94..feb12716b8 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -55,6 +55,8 @@
 
 #include "plumed/wrapper/Plumed.h"
 
+/* -------------------------------------------------------------------- */
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -62,76 +64,88 @@ using namespace FixConst;
 
 FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  p(NULL),
-  nlocal(0),
-  gatindex(NULL),
-  masses(NULL),
-  charges(NULL),
-  id_pe(NULL),
-  id_press(NULL)
+  p(NULL), nlocal(0), gatindex(NULL), masses(NULL), charges(NULL),
+  id_pe(NULL), id_press(NULL)
 {
-// Not sure this is really necessary:
-  if (!atom->tag_enable) error->all(FLERR,"fix plumed requires atom tags");
-// Initialize plumed:
-  p=new PLMD::Plumed;
-// Check API version
-  int api_version; p->cmd("getApiVersion",&api_version);
-  if( api_version>6 ) error->all(FLERR,"invalid api version for PLUMED");
 
-// If the -partition option is activated then enable inter-partition communication
+  if (!atom->tag_enable)
+    error->all(FLERR,"Fix plumed requires atom tags");
+
+  if (igroup != 0 && comm->me == 0)
+    error->warning(FLERR,"Fix group for fix plumed is not 'all'. "
+                   "Group will be ignored.");
+
+
+  p=new PLMD::Plumed;
+
+  // Check API version
+
+  int api_version;
+  p->cmd("getApiVersion",&api_version);
+  if (api_version > 6)
+    error->all(FLERR,"Incompatible API version for PLUMED in fix plumed");
+
+  // If the -partition option is activated then enable
+  // inter-partition communication
+
   if (universe->existflag == 1) {
-     int me;
-     MPI_Comm inter_comm;
-     MPI_Comm_rank(world,&me);
-     // Change MPI_COMM_WORLD to universe->uworld which seems more appropriate
-     MPI_Comm_split(universe->uworld,me,0,&inter_comm);
-     p->cmd("GREX setMPIIntracomm",&world);
-     if (me == 0) {
-        // The inter-partition communicator is only defined for the root in
-        //    each partition (a.k.a. world). This is due to the way in which
-        //    it is defined inside plumed.
-        p->cmd("GREX setMPIIntercomm",&inter_comm);
-     }
-     p->cmd("GREX init",NULL);
+    int me;
+    MPI_Comm inter_comm;
+    MPI_Comm_rank(world,&me);
+
+    // Change MPI_COMM_WORLD to universe->uworld which seems more appropriate
+
+    MPI_Comm_split(universe->uworld,me,0,&inter_comm);
+    p->cmd("GREX setMPIIntracomm",&world);
+    if (me == 0) {
+      // The inter-partition communicator is only defined for the root in
+      //    each partition (a.k.a. world). This is due to the way in which
+      //    it is defined inside plumed.
+      p->cmd("GREX setMPIIntercomm",&inter_comm);
+    }
+    p->cmd("GREX init",NULL);
   }
+
   // The general communicator is independent of the existence of partitions,
-  //   if there are partitions, world is defined within each partition,
-  //   whereas if partitions are not defined then world is equal to MPI_COMM_WORLD.
+  // if there are partitions, world is defined within each partition,
+  // whereas if partitions are not defined then world is equal to
+  // MPI_COMM_WORLD.
+
   p->cmd("setMPIComm",&world);
 
-// Set up units
-// LAMMPS units wrt kj/mol - nm - ps
-// Set up units
+  // Set up units
+  // LAMMPS units wrt kj/mol - nm - ps
+  // Set up units
 
-  if (force->boltz == 1.0){
-// LAMMPS units lj
+  if (force->boltz == 1.0) {
+    // LAMMPS units lj
     p->cmd("setNaturalUnits");
   } else {
     double energyUnits=1.0;
     double lengthUnits=1.0;
     double timeUnits=1.0;
-    if (force->boltz == 0.0019872067){
-// LAMMPS units real :: kcal/mol; angstrom; fs
+    if (force->boltz == 0.0019872067) {
+      // LAMMPS units real :: kcal/mol; angstrom; fs
       energyUnits=4.184;
       lengthUnits=0.1;
       timeUnits=0.001;
-    } else if (force->boltz == 8.617343e-5){
-// LAMMPS units metal :: eV; angstrom; ps
+    } else if (force->boltz == 8.617343e-5) {
+      // LAMMPS units metal :: eV; angstrom; ps
       energyUnits=96.48530749925792;
       lengthUnits=0.1;
       timeUnits=1.0;
-    } else if (force->boltz == 1.3806504e-23){
-// LAMMPS units si :: Joule, m; s
+    } else if (force->boltz == 1.3806504e-23) {
+      // LAMMPS units si :: Joule, m; s
       energyUnits=0.001;
       lengthUnits=1.e-9;
       timeUnits=1.e-12;
-    } else if (force->boltz == 1.3806504e-16){
-// LAMMPS units cgs :: erg; cms;, s
+    } else if (force->boltz == 1.3806504e-16) {
+      // LAMMPS units cgs :: erg; cms;, s
       energyUnits=6.0221418e13;
       lengthUnits=1.e-7;
       timeUnits=1.e-12;
-    } else if (force->boltz == 3.16681534e-6){
-// LAMMPS units electron :: Hartree, bohr, fs
+    } else if (force->boltz == 3.16681534e-6) {
+      // LAMMPS units electron :: Hartree, bohr, fs
       energyUnits=2625.5257;
       lengthUnits=0.052917725;
       timeUnits=0.001;
@@ -141,12 +155,13 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
     p->cmd("setMDTimeUnits",&timeUnits);
   }
 
-// Read fix parameters:
+  // Read fix parameters:
   int next=0;
-  for(int i=3;i<narg;++i){
-    if(!strcmp(arg[i],"outfile")) next=1;
-    else if(next==1){
-      if(universe->existflag == 1){
+  for (int i=3;i<narg;++i) {
+    if (!strcmp(arg[i],"outfile")) {
+      next=1;
+    } else if (next==1) {
+      if (universe->existflag == 1) {
         // Each replica writes an independent log file
         //  with suffix equal to the replica id
         char str_num[32], logFile[1024];
@@ -160,16 +175,16 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
         p->cmd("setLogFile",arg[i]);
         next=0;
       }
-    }
-    else if(!strcmp(arg[i],"plumedfile"))next=2;
-    else if(next==2){
+    } else if (!strcmp(arg[i],"plumedfile")) {
+      next=2;
+    } else if (next==2) {
       p->cmd("setPlumedDat",arg[i]);
       next=0;
-    }
-    else error->all(FLERR,"syntax error in fix plumed - use 'fix name plumed plumedfile plumed.dat outfile plumed.out' ");
+    } else error->all(FLERR,"Syntax error - use 'fix <fix-ID> plumed "
+                      "plumedfile plumed.dat outfile plumed.out' ");
   }
-  if(next==1) error->all(FLERR,"missing argument for outfile option");
-  if(next==2) error->all(FLERR,"missing argument for plumedfile option");
+  if (next==1) error->all(FLERR,"missing argument for outfile option");
+  if (next==2) error->all(FLERR,"missing argument for plumedfile option");
 
   p->cmd("setMDEngine","LAMMPS");
 
@@ -183,10 +198,12 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   thermo_virial=1;
   scalar_flag = 1;
 
-// This is the real initialization:
+  // This is the real initialization:
+
   p->cmd("init");
 
-// Define compute to calculate potential energy
+  // Define compute to calculate potential energy
+
   id_pe = new char[7];
   id_pe = (char *) "plmd_pe";
   char **newarg = new char*[3];
@@ -220,7 +237,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
          strncmp(modify->fix[i]->style,"npt",3) ||
          strncmp(modify->fix[i]->style,"npt_sphere",10) )
       error->all(FLERR,"Fix plumed must be called before fix_nh derived fixes, "
-                       "for instance nph and npt fixes");
+                 "for instance nph and npt fixes");
   }
 }
 
@@ -248,7 +265,7 @@ void FixPlumed::init()
     nlevels_respa = ((Respa *) update->integrate)->nlevels;
   // This avoids nan pressure if compute_pressure is called
   // in a setup method
-  for(int i=0;i<6;i++) virial[i] = 0.;
+  for (int i=0;i<6;i++) virial[i] = 0.;
 }
 
 void FixPlumed::setup(int vflag)
@@ -281,22 +298,22 @@ void FixPlumed::min_setup(int vflag)
 void FixPlumed::post_force(int /* vflag */)
 {
 // Check tag is enabled
-  if( !atom->tag_enable ) error->all(FLERR,"to run PLUMED you must have tag_enable==1");
+  if ( !atom->tag_enable ) error->all(FLERR,"to run PLUMED you must have tag_enable==1");
 
   int update_gatindex=0;
 // Try to find out if the domain decomposition has been updated:
-  if(nlocal!=atom->nlocal){
-    if(charges) delete [] charges;
-    if(masses) delete [] masses;
-    if(gatindex) delete [] gatindex;
+  if (nlocal!=atom->nlocal) {
+    if (charges) delete [] charges;
+    if (masses) delete [] masses;
+    if (gatindex) delete [] gatindex;
     nlocal=atom->nlocal;
     gatindex=new int [nlocal];
     masses=new double [nlocal];
     charges=new double [nlocal];
     update_gatindex=1;
   } else {
-    for(int i=0;i<nlocal;i++){
-      if(gatindex[i]!=atom->tag[i]-1){
+    for (int i=0;i<nlocal;i++) {
+      if (gatindex[i]!=atom->tag[i]-1) {
         update_gatindex=1;
         break;
       }
@@ -306,19 +323,19 @@ void FixPlumed::post_force(int /* vflag */)
 
 // In case it has been updated, rebuild the local mass/charges array
 // and tell plumed about the change:
-  if(update_gatindex){
-    for(int i=0;i<nlocal;i++) gatindex[i]=atom->tag[i]-1;
+  if (update_gatindex) {
+    for (int i=0;i<nlocal;i++) gatindex[i]=atom->tag[i]-1;
     // Get masses 
-    if(atom->rmass_flag) {
-       for(int i=0;i<nlocal;i++) masses[i]=atom->rmass[i];
+    if (atom->rmass_flag) {
+      for (int i=0;i<nlocal;i++) masses[i]=atom->rmass[i];
     } else {
-       for(int i=0;i<nlocal;i++) masses[i]=atom->mass[atom->type[i]];
+      for (int i=0;i<nlocal;i++) masses[i]=atom->mass[atom->type[i]];
     }
     // Get charges
-    if(atom->q_flag) {
-       for(int i=0;i<nlocal;i++) charges[i]=atom->q[i];
+    if (atom->q_flag) {
+      for (int i=0;i<nlocal;i++) charges[i]=atom->q[i];
     } else {
-       for(int i=0;i<nlocal;i++) charges[i]=0.0;
+      for (int i=0;i<nlocal;i++) charges[i]=0.0;
     }
     p->cmd("setAtomsNlocal",&nlocal);
     p->cmd("setAtomsGatindex",gatindex);
@@ -327,9 +344,9 @@ void FixPlumed::post_force(int /* vflag */)
 
 // set up local virial/box. plumed uses full 3x3 matrices
   double plmd_virial[3][3];
-  for(int i=0;i<3;i++) for(int j=0;j<3;j++) plmd_virial[i][j]=0.0;
+  for (int i=0;i<3;i++) for (int j=0;j<3;j++) plmd_virial[i][j]=0.0;
   double box[3][3];
-  for(int i=0;i<3;i++) for(int j=0;j<3;j++) box[i][j]=0.0;
+  for (int i=0;i<3;i++) for (int j=0;j<3;j++) box[i][j]=0.0;
   box[0][0]=domain->h[0];
   box[1][1]=domain->h[1];
   box[2][2]=domain->h[2];
@@ -338,7 +355,7 @@ void FixPlumed::post_force(int /* vflag */)
   box[1][0]=domain->h[5];
   // Make initial of virial of this fix zero
   // The following line is very important, otherwise the compute pressure will include 
-  for(int i=0;i<6;++i) virial[i] = 0.;
+  for (int i=0;i<6;++i) virial[i] = 0.;
 
 // local variable with timestep:
   int step=update->ntimestep;
@@ -349,7 +366,7 @@ void FixPlumed::post_force(int /* vflag */)
   p->cmd("setBox",&box[0][0]);
   p->cmd("setForces",&atom->f[0][0]);
   p->cmd("setMasses",&masses[0]);
-  if(atom->q) p->cmd("setCharges",&charges[0]);
+  if (atom->q) p->cmd("setCharges",&charges[0]);
   p->cmd("getBias",&bias);
   // Pass virial to plumed
   // If energy is needed virial_plmd is equal to Lammps' virial
@@ -368,9 +385,9 @@ void FixPlumed::post_force(int /* vflag */)
     // Error if tail corrections are included
     if (force->pair && force->pair->tail_flag)
       error->all(FLERR,"Tail corrections to the pair potential included."
-                       " The energy cannot be biased in this case."
-                       " Remove the tail corrections by removing the"
-                       " command: pair_modify tail yes");
+                 " The energy cannot be biased in this case."
+                 " Remove the tail corrections by removing the"
+                 " command: pair_modify tail yes");
     // compute the potential energy
     double pot_energy = 0.;
     c_pe->compute_scalar();
@@ -386,7 +403,7 @@ void FixPlumed::post_force(int /* vflag */)
     virial_lmp = c_press->vector;
     // Check if pressure is finite 
     if (!std::isfinite(virial_lmp[0]) || !std::isfinite(virial_lmp[1]) || !std::isfinite(virial_lmp[2])
-   || !std::isfinite(virial_lmp[3]) || !std::isfinite(virial_lmp[4]) || !std::isfinite(virial_lmp[5]))
+        || !std::isfinite(virial_lmp[3]) || !std::isfinite(virial_lmp[4]) || !std::isfinite(virial_lmp[5]))
       error->all(FLERR,"Non-numeric virial - Plumed cannot work with that");
     // Convert pressure to virial per number of MPI processes
     // From now on all virials are divided by the number of MPI processes
@@ -397,7 +414,7 @@ void FixPlumed::post_force(int /* vflag */)
     } else {
       inv_volume = 1.0 / (domain->xprd * domain->yprd);
     }
-    for(int i=0;i<6;i++) virial_lmp[i] /= (inv_volume * nktv2p * nprocs);
+    for (int i=0;i<6;i++) virial_lmp[i] /= (inv_volume * nktv2p * nprocs);
     // Convert virial from lammps to plumed representation
     plmd_virial[0][0]=-virial_lmp[0];
     plmd_virial[1][1]=-virial_lmp[1];
@@ -407,7 +424,7 @@ void FixPlumed::post_force(int /* vflag */)
     plmd_virial[1][2]=-virial_lmp[5];
   } else {
     virial_lmp = new double[6];
-    for(int i=0;i<6;i++) virial_lmp[i] = 0.;
+    for (int i=0;i<6;i++) virial_lmp[i] = 0.;
   }
   // do the real calculation:
   p->cmd("performCalc");

From 54c52c3bdfea31eacea8baa2fe111d3a059ca381 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 22:52:36 -0400
Subject: [PATCH 052/273] adjust compilation settings to link in plumed library
 statically and all its dependencies

---
 lib/plumed/.gitignore             |  1 +
 lib/plumed/Install.py             |  5 ++-
 lib/plumed/Makefile.lammps.static |  5 +++
 src/USER-PLUMED/Install.sh        | 72 ++++++++++++++++++++-----------
 4 files changed, 56 insertions(+), 27 deletions(-)
 create mode 100644 lib/plumed/Makefile.lammps.static

diff --git a/lib/plumed/.gitignore b/lib/plumed/.gitignore
index c17bb18bf0..d79d6d4413 100644
--- a/lib/plumed/.gitignore
+++ b/lib/plumed/.gitignore
@@ -1,3 +1,4 @@
 /plumed2*
 /includelink
 /liblink
+/plumed-*
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 98827a3fda..29b9136ccf 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -156,7 +156,6 @@ if buildflag:
     if not checkmd5sum(checksums[version],filename):
       error("Checksum for plumed2 library does not match")
 
-
   print("Unpacking plumed2 tarball ...")
   if os.path.exists("%s/plumed2-%s" % (homepath,version)):
     cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
@@ -188,3 +187,7 @@ if linkflag:
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   cmd = 'ln -s "%s/plumed2/lib" liblink' % homepath
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  if os.path.isfile("Makefile.lammps.static"):
+    print("Creating Makefile.lammps")
+    cmd = 'cat liblink/plumed/src/lib/Plumed.inc.static Makefile.lammps.static > Makefile.lammps'
+
diff --git a/lib/plumed/Makefile.lammps.static b/lib/plumed/Makefile.lammps.static
new file mode 100644
index 0000000000..860202a6f2
--- /dev/null
+++ b/lib/plumed/Makefile.lammps.static
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+
+plumed_SYSINC = 
+plumed_SYSLIB = $(PLUMED_LOAD)
+plumed_SYSPATH = 
diff --git a/src/USER-PLUMED/Install.sh b/src/USER-PLUMED/Install.sh
index 20215e4c99..f879d42feb 100755
--- a/src/USER-PLUMED/Install.sh
+++ b/src/USER-PLUMED/Install.sh
@@ -1,45 +1,65 @@
 # Install/unInstall package files in LAMMPS
-# edit 2 Makefile.package files to include/exclude ATC info
+# mode = 0/1/2 for uninstall/install/update
+
+mode=$1
+
+# enforce using portable C locale
+LC_ALL=C
+export LC_ALL
+
+# arg1 = file, arg2 = file it depends on
+
+action () {
+  if (test $mode = 0) then
+    rm -f ../$1
+  elif (! cmp -s $1 ../$1) then
+    if (test -z "$2" || test -e ../$2) then
+      cp $1 ..
+      if (test $mode = 2) then
+        echo "  updating src/$1"
+      fi
+    fi
+  elif (test -n "$2") then
+    if (test ! -e ../$2) then
+      rm -f ../$1
+    fi
+  fi
+}
+
+# all package files with no dependencies
+
+for file in *.cpp *.h; do
+  test -f ${file} && action $file
+done
+
+# edit 2 Makefile.package files to include/exclude package info
 
 if (test $1 = 1) then
 
   if (test -e ../Makefile.package) then
-    sed -i -e 's|^PKG_LIB =[ \t]*|& -lplumedWrapper -ldl |' ../Makefile.package
-    if ( ! test -e ../../lib/plumed/liblink/plumed/src/lib/Plumed.inc.static ) then
-        sed -i -e 's|^PKG_SYSINC =[ \t]*|& -D__PLUMED_HAS_DLOPEN |' ../Makefile.package
-    fi
+    sed -i -e 's/[^ \t]*plumed[^ \t]* //' ../Makefile.package
     sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/plumed/includelink |' ../Makefile.package
-    sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/plumed/liblink |' ../Makefile.package
+    sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(plumed_SYSINC) |' ../Makefile.package
+    sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(plumed_SYSLIB) |' ../Makefile.package
+    sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(plumed_SYSPATH) |' ../Makefile.package
   fi
 
   if (test -e ../Makefile.package.settings) then
-    # This is for statically linking plumed2
-    if ( test -e ../../lib/plumed/liblink/src/lib/Plumed.inc.static ) then  
-       fname=../../lib/plumed/liblink/src/lib/Plumed.inc.static 
-       sed -i -e '4 i \
-include '$fname'
-' ../Makefile.package.settings
-    # This is for linking plumed2 as a runtime library  -- this is the default behavior
-    else 
+    sed -i -e '/^include.*plumed.*$/d' ../Makefile.package.settings
     # multiline form needed for BSD sed on Macs
-       sed -i -e '4 i \
-PLUMED_LOAD=-ldl
+    sed -i -e '4 i \
+include ..\/..\/lib\/plumed\/Makefile.lammps
 ' ../Makefile.package.settings
-    fi
   fi
 
-  cp fix_plumed.cpp ..
-  cp fix_plumed.h ..
-
 elif (test $1 = 0) then
 
   if (test -e ../Makefile.package) then
-    sed -i -e 's/[^ \t]*-lplumedWrapper -ldl[^ \t]* //' ../Makefile.package
-    sed -i -e 's/[^ \t]*-D__PLUMED_HAS_DLOPEN[^ \t]* //' ../Makefile.package
-    sed -i -e 's|[^ \t]*-I../../lib/plumed/includelink[^ \t]* ||' ../Makefile.package
-    sed -i -e 's|[^ \t]*-L../../lib/plumed/liblink[^ \t]* ||' ../Makefile.package
+    sed -i -e 's/[^ \t]*plumed[^ \t]* //' ../Makefile.package
+  fi
+
+  if (test -e ../Makefile.package.settings) then
+    sed -i -e '/^include.*plumed.*$/d' ../Makefile.package.settings
   fi
 
-  rm -f ../fix_plumed.cpp
-  rm -f ../fix_plumed.h
 fi

From 3cb2291a5a70fc982447c04d2d6cc38e61622f93 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 22:52:51 -0400
Subject: [PATCH 053/273] need to include comm.h now

---
 src/USER-PLUMED/fix_plumed.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index feb12716b8..8ab2decbf8 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -20,6 +20,7 @@
 #include <cstring>
 
 #include "atom.h"
+#include "comm.h"
 #include "update.h"
 #include "force.h"
 #include "respa.h"

From 18216de084461876f02f676008449b55273dba8a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 23:21:09 -0400
Subject: [PATCH 054/273] correctly check for fixes that maintain their own
 pressure compute

---
 src/USER-PLUMED/fix_plumed.cpp | 31 ++++++++++++++++++++++---------
 1 file changed, 22 insertions(+), 9 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 8ab2decbf8..c30fc3d3dc 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -229,16 +229,29 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   delete [] newarg;
   int ipress = modify->find_compute(id_press);
   c_press = modify->compute[ipress];
- 
-  // Check if nh type fixes have been called
-  // See comment in the setup method
+
   for (int i = 0; i < modify->nfix; i++) {
-    if ( strncmp(modify->fix[i]->style,"nph",3) ||
-         strncmp(modify->fix[i]->style,"nph_sphere",10) ||
-         strncmp(modify->fix[i]->style,"npt",3) ||
-         strncmp(modify->fix[i]->style,"npt_sphere",10) )
-      error->all(FLERR,"Fix plumed must be called before fix_nh derived fixes, "
-                 "for instance nph and npt fixes");
+    const char * const check_style = modify->fix[i]->style;
+
+    // There must be only one
+
+    if (strcmp(check_style,"plumed") == 0)
+      error->all(FLERR,"There must be only one instance of fix plumed");
+
+    // Avoid conflict with fixes that define internal pressure computes.
+    // See comment in the setup method
+
+    if ((strncmp(check_style,"nph",3) == 0) ||
+        (strncmp(check_style,"npt",3) == 0) ||
+        (strncmp(check_style,"rigid/nph",9) == 0) ||
+        (strncmp(check_style,"rigid/npt",9) == 0) ||
+        (strncmp(check_style,"msst",4) == 0) ||
+        (strncmp(check_style,"nphug",5) == 0) ||
+        (strncmp(check_style,"ipi",3) == 0) ||
+        (strncmp(check_style,"press/berendsen",15) == 0) ||
+        (strncmp(check_style,"qbmsst",6) == 0))
+      error->all(FLERR,"Fix plumed must be defined before any other fixes, "
+                 "that compute pressure internally");
   }
 }
 

From ac11d66d5a6eadba1d4cea4bec0f562899118701 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 2 Nov 2018 23:28:09 -0400
Subject: [PATCH 055/273] provide reference logfiles and move generated files
 to reference folder

---
 .../plumed/log.24Oct18.peptide-plumed.g++.1   | 162 ++++++++++++++++++
 .../plumed/log.24Oct18.peptide-plumed.g++.4   | 162 ++++++++++++++++++
 examples/USER/plumed/{ => reference}/colvar   |   0
 examples/USER/plumed/{ => reference}/p.log    |   0
 4 files changed, 324 insertions(+)
 create mode 100644 examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1
 create mode 100644 examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
 rename examples/USER/plumed/{ => reference}/colvar (100%)
 rename examples/USER/plumed/{ => reference}/p.log (100%)

diff --git a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1 b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1
new file mode 100644
index 0000000000..9bf403fd27
--- /dev/null
+++ b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1
@@ -0,0 +1,162 @@
+LAMMPS (24 Oct 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		2 all plumed plumedfile plumed.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+variable        step equal step
+variable        pe equal pe
+
+run		101
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 10648 3375
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152            0 
+      10     276.9783   -5234.3057   -6348.6171    1114.3114   -6421.6171    17.024361   0.47785504 
+      20    279.08532   -5226.4036   -6349.1917    1122.7881   -6441.0169    20.764378   0.52605302 
+      30    282.32141   -5222.3866   -6358.1939    1135.8073   -6448.9785    22.945165   0.65106011 
+      40    276.34173   -5218.7623   -6330.5128    1111.7504   -6423.7566    15.655345   0.23795099 
+      50    286.12741   -5215.9248   -6367.0439    1151.1192   -6449.2655    17.420975   0.42646205 
+      60    273.01449   -5217.7381   -6316.1026    1098.3646   -6406.4709    21.800931   0.92327815 
+      70    274.67549   -5221.0246   -6326.0716     1105.047   -6409.7721     19.41235 0.0016975896 
+      80    273.74824   -5224.7613   -6326.0778    1101.3165   -6418.5055    19.206793   0.48550348 
+      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3467    21.124789    0.5468014 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.111 2.06868e-06
+  6 0.996999 2.09521e-06
+  8 1.08 1.10835e-06
+  10 1.111 2.46599e-06
+  12 1.08 8.86314e-07
+  14 0.959999 0
+  18 0.9572 9.14098e-06
+  31 104.52 0.000760401
+     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404 0.0094784372 
+     101    270.99811   -5235.8295    -6326.082    1090.2525   -6418.8974    17.285816  0.086681332 
+Loop time of 2.12948 on 1 procs for 101 steps with 2004 atoms
+
+Performance: 8.196 ns/day, 2.928 hours/ns, 47.429 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.757      | 1.757      | 1.757      |   0.0 | 82.51
+Bond    | 0.0052233  | 0.0052233  | 0.0052233  |   0.0 |  0.25
+Kspace  | 0.14772    | 0.14772    | 0.14772    |   0.0 |  6.94
+Neigh   | 0.16455    | 0.16455    | 0.16455    |   0.0 |  7.73
+Comm    | 0.0083704  | 0.0083704  | 0.0083704  |   0.0 |  0.39
+Output  | 0.00031424 | 0.00031424 | 0.00031424 |   0.0 |  0.01
+Modify  | 0.044411   | 0.044411   | 0.044411   |   0.0 |  2.09
+Other   |            | 0.001851   |            |       |  0.09
+
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11134 ave 11134 max 11134 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    707961 ave 707961 max 707961 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 707961
+Ave neighs/atom = 353.274
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 8
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4 b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
new file mode 100644
index 0000000000..1437524154
--- /dev/null
+++ b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
@@ -0,0 +1,162 @@
+LAMMPS (24 Oct 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 1 by 2 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		2 all plumed plumedfile plumed.dat outfile p.log
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+variable        step equal step
+variable        pe equal pe
+
+run		101
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 6776 1800
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 16.81 | 16.82 | 16.83 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152            0 
+      10     276.9783   -5234.3057   -6348.6171    1114.3114   -6421.6171    17.024361   0.47785504 
+      20    279.08532   -5226.4036   -6349.1917    1122.7881   -6441.0169    20.764378   0.52605302 
+      30    282.32141   -5222.3866   -6358.1939    1135.8073   -6448.9785    22.945165   0.65106011 
+      40    276.34173   -5218.7623   -6330.5128    1111.7504   -6423.7566    15.655345   0.23795099 
+      50    286.12741   -5215.9248   -6367.0439    1151.1192   -6449.2655    17.420975   0.42646205 
+      60    273.01449   -5217.7381   -6316.1026    1098.3646   -6406.4709    21.800931   0.92327815 
+      70    274.67549   -5221.0246   -6326.0716     1105.047   -6409.7721     19.41235 0.0016975896 
+      80    273.74824   -5224.7613   -6326.0778    1101.3165   -6418.5055    19.206793   0.48550348 
+      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3467    21.124789    0.5468014 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.111 2.06868e-06
+  6 0.996999 2.09521e-06
+  8 1.08 1.10835e-06
+  10 1.111 2.46599e-06
+  12 1.08 8.86314e-07
+  14 0.959999 0
+  18 0.9572 9.14098e-06
+  31 104.52 0.000760401
+     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404 0.0094784372 
+     101    270.99811   -5235.8295    -6326.082    1090.2525   -6418.8974    17.285816  0.086681332 
+Loop time of 1.23137 on 2 procs for 101 steps with 2004 atoms
+
+Performance: 14.173 ns/day, 1.693 hours/ns, 82.022 timesteps/s
+99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.97985    | 0.98197    | 0.98409    |   0.2 | 79.75
+Bond    | 0.0033333  | 0.0035326  | 0.003732   |   0.3 |  0.29
+Kspace  | 0.096567   | 0.098457   | 0.10035    |   0.6 |  8.00
+Neigh   | 0.088877   | 0.088888   | 0.088898   |   0.0 |  7.22
+Comm    | 0.018255   | 0.018347   | 0.01844    |   0.1 |  1.49
+Output  | 0.00024843 | 0.00031161 | 0.00037479 |   0.0 |  0.03
+Modify  | 0.037596   | 0.037645   | 0.037695   |   0.0 |  3.06
+Other   |            | 0.00222    |            |       |  0.18
+
+Nlocal:    1002 ave 1010 max 994 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    8639.5 ave 8651 max 8628 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    353980 ave 355907 max 352054 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 707961
+Ave neighs/atom = 353.274
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 8
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/USER/plumed/colvar b/examples/USER/plumed/reference/colvar
similarity index 100%
rename from examples/USER/plumed/colvar
rename to examples/USER/plumed/reference/colvar
diff --git a/examples/USER/plumed/p.log b/examples/USER/plumed/reference/p.log
similarity index 100%
rename from examples/USER/plumed/p.log
rename to examples/USER/plumed/reference/p.log

From badfdd74332c826b3611fa08741b4eee35e34601 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 3 Nov 2018 00:21:10 -0400
Subject: [PATCH 056/273] download only the plumed-src package and include
 further tweaks to be compatible with plumed 2.5b

---
 .../plumed/log.24Oct18.peptide-plumed.g++.4   | 44 +++++++++----------
 lib/plumed/Install.py                         | 33 +++++++++-----
 src/USER-PLUMED/fix_plumed.cpp                | 20 +--------
 3 files changed, 47 insertions(+), 50 deletions(-)

diff --git a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4 b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
index 1437524154..771a0de1d0 100644
--- a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
+++ b/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
@@ -15,7 +15,7 @@ kspace_style	pppm 0.0001
 
 read_data	data.peptide
   orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 2 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   2004 atoms
   reading velocities ...
@@ -85,7 +85,7 @@ PPPM initialization ...
   estimated absolute RMS force accuracy = 0.0228209
   estimated relative force accuracy = 6.87243e-05
   using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
+  3d grid and FFT values/proc = 4312 960
 Neighbor list info ...
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -107,7 +107,7 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Per MPI rank memory allocation (min/avg/max) = 16.81 | 16.82 | 16.83 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
 Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
        0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152            0 
       10     276.9783   -5234.3057   -6348.6171    1114.3114   -6421.6171    17.024361   0.47785504 
@@ -118,7 +118,7 @@ Step Temp TotEng PotEng KinEng E_pair E_bond f_2
       60    273.01449   -5217.7381   -6316.1026    1098.3646   -6406.4709    21.800931   0.92327815 
       70    274.67549   -5221.0246   -6326.0716     1105.047   -6409.7721     19.41235 0.0016975896 
       80    273.74824   -5224.7613   -6326.0778    1101.3165   -6418.5055    19.206793   0.48550348 
-      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3467    21.124789    0.5468014 
+      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3466    21.124789    0.5468014 
 SHAKE stats (type/ave/delta) on step 100
   4 1.111 2.06868e-06
   6 0.996999 2.09521e-06
@@ -128,31 +128,31 @@ SHAKE stats (type/ave/delta) on step 100
   14 0.959999 0
   18 0.9572 9.14098e-06
   31 104.52 0.000760401
-     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404 0.0094784372 
+     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404  0.009478437 
      101    270.99811   -5235.8295    -6326.082    1090.2525   -6418.8974    17.285816  0.086681332 
-Loop time of 1.23137 on 2 procs for 101 steps with 2004 atoms
+Loop time of 1.16767 on 4 procs for 101 steps with 2004 atoms
 
-Performance: 14.173 ns/day, 1.693 hours/ns, 82.022 timesteps/s
-99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
+Performance: 14.947 ns/day, 1.606 hours/ns, 86.497 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.97985    | 0.98197    | 0.98409    |   0.2 | 79.75
-Bond    | 0.0033333  | 0.0035326  | 0.003732   |   0.3 |  0.29
-Kspace  | 0.096567   | 0.098457   | 0.10035    |   0.6 |  8.00
-Neigh   | 0.088877   | 0.088888   | 0.088898   |   0.0 |  7.22
-Comm    | 0.018255   | 0.018347   | 0.01844    |   0.1 |  1.49
-Output  | 0.00024843 | 0.00031161 | 0.00037479 |   0.0 |  0.03
-Modify  | 0.037596   | 0.037645   | 0.037695   |   0.0 |  3.06
-Other   |            | 0.00222    |            |       |  0.18
+Pair    | 0.84633    | 0.86651    | 0.88617    |   1.6 | 74.21
+Bond    | 0.0010614  | 0.0027132  | 0.004288   |   3.0 |  0.23
+Kspace  | 0.095008   | 0.1162     | 0.13491    |   4.3 |  9.95
+Neigh   | 0.07834    | 0.078424   | 0.078516   |   0.0 |  6.72
+Comm    | 0.03314    | 0.033299   | 0.033426   |   0.1 |  2.85
+Output  | 0.00036979 | 0.00076199 | 0.0019338  |   0.0 |  0.07
+Modify  | 0.063471   | 0.064011   | 0.065312   |   0.3 |  5.48
+Other   |            | 0.005751   |            |       |  0.49
 
-Nlocal:    1002 ave 1010 max 994 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8639.5 ave 8651 max 8628 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    353980 ave 355907 max 352054 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    501 ave 512 max 492 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+Nghost:    6570.25 ave 6604 max 6529 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    176990 ave 181122 max 173551 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
 
 Total # of neighbors = 707961
 Ave neighs/atom = 353.274
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 29b9136ccf..481cfdcc0e 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -35,10 +35,16 @@ version = "2.4.3"
 
 # known checksums for different PLUMED versions. used to validate the download.
 checksums = { \
-        '2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
-        '2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
+        '2.4.2' : '88188743a6e03ef076e5377d03ebb0e7', \
+        '2.4.3' : 'b1be7c48971627febc11c61b70767fc5', \
+        '2.5b'  : 'e341bdef469be1da058b8a0b97a3db22', \
         }
 
+#checksums = { \
+#        '2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
+#        '2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
+#        }
+
 # print error message or help
 def error(str=None):
   if not str: print(help)
@@ -146,8 +152,10 @@ if (not buildflag and not pathflag):
 # download and unpack plumed2 tarball
 
 if buildflag:
-  url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
-  filename = "v%s.tar.gz" %version
+  url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
+  filename = "plumed-src-%s.tar.gz" %version
+  #url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
+  #filename = "v%s.tar.gz" %version
   print("Downloading plumed  ...")
   geturl(url,filename)
 
@@ -156,22 +164,26 @@ if buildflag:
     if not checkmd5sum(checksums[version],filename):
       error("Checksum for plumed2 library does not match")
 
-  print("Unpacking plumed2 tarball ...")
-  if os.path.exists("%s/plumed2-%s" % (homepath,version)):
-    cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
+  print("Unpacking plumed2 source tarball ...")
+  if os.path.exists("%s/plumed-%s" % (homepath,version)):
+    cmd = 'rm -rf "%s/plumed-%s"' % (homepath,version)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  #if os.path.exists("%s/plumed2-%s" % (homepath,version)):
+  #  cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
+  #  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.exists("%s/plumed2" % (homepath)):
     cmd = 'rm -rf "%s/plumed2"' % (homepath)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath,version)
+  cmd = 'cd "%s"; tar -xzvf %s' % (homepath,filename)
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  os.remove("%s/v%s.tar.gz" % (homepath,version))
+  os.remove("%s/%s" % (homepath,filename))
 
 # build plumed
  
 if buildflag:
    print("Building plumed ...")
-   cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 ; make ; make install' % (homepath,version,homepath)
+   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
+   #cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
    print(txt.decode('UTF-8'))
 # 
@@ -190,4 +202,5 @@ if linkflag:
   if os.path.isfile("Makefile.lammps.static"):
     print("Creating Makefile.lammps")
     cmd = 'cat liblink/plumed/src/lib/Plumed.inc.static Makefile.lammps.static > Makefile.lammps'
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index c30fc3d3dc..831b7bef6e 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -34,25 +34,9 @@
 #include "pair.h"
 
 /*
-  Do not link plumed directly but rather do it at runtime
+  Use statically linked C++ interface to plumed
 */
-#define __PLUMED_WRAPPER_LINK_RUNTIME 1
-
-/*
-  Make sure the inline C++ interface is not included here.
-  Should not be necessary, but it doesn't hurt.
-*/
-#define __PLUMED_WRAPPER_CXX 0
-
-/*
-  Tell Plumed.h to emit the whole implementation
-*/
-#define __PLUMED_WRAPPER_IMPLEMENTATION 1
-
-/*
-  Emit fortran wrappers
-*/
-#define __PLUMED_WRAPPER_FORTRAN 1
+#define __PLUMED_WRAPPER_CXX 1
 
 #include "plumed/wrapper/Plumed.h"
 

From f7aa01d74a0cd7f25b7b24cc04c6531539679353 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Sat, 3 Nov 2018 11:57:46 -0600
Subject: [PATCH 057/273] bond/react: convert group-ID to group-ID-prefix

enables consistent syntax when using custom groups
---
 doc/src/fix_bond_react.txt       | 34 ++++++++++++++--------------
 src/USER-MISC/fix_bond_react.cpp | 38 ++++++++++++++++----------------
 src/USER-MISC/fix_bond_react.h   |  6 ++---
 3 files changed, 40 insertions(+), 38 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index b5ac87327d..fc08a9b14e 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -24,11 +24,11 @@ common_keyword = {stabilization} :l
   {stabilization} values = {no} or {yes} {group-ID} {xmax}
     {no} = no reaction site stabilization
     {yes} = perform reaction site stabilization
-      {group-ID} = user-assigned ID for all non-reacting atoms (group created internally)
+      {group-ID} = user-assigned prefix for the dynamic group of non-reacting atoms
       {xmax} = xmax value that is used by an internally created "nve/limit"_fix_nve_limit.html integrator :pre
 react = mandatory argument indicating new reaction specification :l
   react-ID = user-assigned name for the reaction :l
-  react-group-ID = only atoms in this group are available for the reaction :l
+  react-group-ID = only atoms in this group are considered for the reaction :l
   Nevery = attempt reaction every this many steps :l
   Rmin = bonding pair atoms must be separated by more than Rmin to initiate reaction (distance units) :l
   Rmax = bonding pair atoms must be separated by less than Rmax to initiate reaction (distance units) :l
@@ -51,7 +51,7 @@ react = mandatory argument indicating new reaction specification :l
 
 molecule mol1 pre_reacted_topology.txt
 molecule mol2 post_reacted_topology.txt
-fix 5 all bond/react stabilization no react myrxn1 all 1 0 3.25 mol1 mol2 map_file.txt :pre
+fix 5 all bond/react react myrxn1 all 1 0 3.25 mol1 mol2 map_file.txt :pre
 
 molecule mol1 pre_reacted_rxn1.txt
 molecule mol2 post_reacted_rxn1.txt
@@ -60,7 +60,7 @@ molecule mol4 post_reacted_rxn2.txt
 fix 5 all bond/react stabilization yes nvt_grp .03 &
   react myrxn1 all 1 0 3.25 mol1 mol2 map_file_rxn1.txt prob 0.50 12345 &
   react myrxn2 all 1 0 2.75 mol3 mol4 map_file_rxn2.txt prob 0.25 12345
-fix 6 nvt_grp nvt temp 300 300 100 # set thermostat after bond/react :pre
+fix 6 nvt_grp_REACT nvt temp 300 300 100 # set thermostat after bond/react :pre
 
 [Description:]
 
@@ -104,20 +104,22 @@ during the simulation.
 
 The group-ID set using the {stabilization} keyword can be an existing
 static group or a previously-unused group-ID. It cannot be specified
-as 'all'. If the group-ID is previously unused, fix bond/react command
-creates a "dynamic group"_group.html of this name that is initialized
-to include all atoms. If the group-ID is that of an existing static
-group, the group is converted into a dynamic group, whose atoms are
-limited to those belonging to the original static group. In either
-case, this dynamic group-ID should then be used by a subsequent
-system-wide time integrator such as nvt, npt, or nve, as shown in the
-second example above. The time integration command should be placed
-after the fix bond/react command due to the internal dynamic grouping
-performed by fix bond/react. By specifying an existing group, you may
-thermostat non-reacting parts of your system separately.
+as 'all'. If the group-ID is previously unused, the fix bond/react
+command creates a "dynamic group"_group.html that is initialized to
+include all atoms. If the group-ID is that of an existing static
+group, the group is used as the parent group of new,
+internally-created dynamic group. In both cases, this new dynamic
+group is named by appending '_REACT' to the group-ID, e.g.
+nvt_grp_REACT. By specifying an existing group, you may thermostat
+constant-topology parts of your system separately. The dynamic group
+contains only non-reacting atoms at a given timestep, and therefore
+should be used by a subsequent system-wide time integrator such as
+nvt, npt, or nve, as shown in the second example above. The time
+integration command should be placed after the fix bond/react command
+due to the internal dynamic grouping performed by fix bond/react.
 
 NOTE: If the group-ID is an existing static group, react-group-IDs
-should also be specified as this group, or a subset.
+should also be specified as this static group, or a subset.
 
 NOTE: If the group-ID is previously unused, the internally created
 group applies to all atoms in the system, i.e. you should generally
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index abb2f9f7d8..61616f667d 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -78,6 +78,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
 
   fix1 = NULL;
   fix2 = NULL;
+  fix3 = NULL;
 
   if (narg < 8) error->all(FLERR,"Illegal fix bond/react command: "
                            "too few arguments");
@@ -433,10 +434,8 @@ FixBondReact::~FixBondReact()
     if (id_fix1 == NULL && modify->nfix) modify->delete_fix(id_fix1);
     delete [] id_fix1;
 
-    if (custom_exclude_flag == 0) {
-      if (id_fix3 == NULL && modify->nfix) modify->delete_fix(id_fix3);
-      delete [] id_fix3;
-    }
+    if (id_fix3 == NULL && modify->nfix) modify->delete_fix(id_fix3);
+    delete [] id_fix3;
   }
 
   if (id_fix2 == NULL && modify->nfix) modify->delete_fix(id_fix2);
@@ -512,14 +511,14 @@ void FixBondReact::post_constructor()
       ifix = modify->find_fix(id_fix3);
       if (ifix == -1) {
         char **newarg = new char*[6];
-        newarg[0] = (char *) "bond_react_stabilization_internal";
+        newarg[0] = (char *) id_fix3;
         newarg[1] = (char *) "all"; // group ID is ignored
         newarg[2] = (char *) "property/atom";
         newarg[3] = (char *) "i_statted_tags";
         newarg[4] = (char *) "ghost";
         newarg[5] = (char *) "yes";
         modify->add_fix(6,newarg);
-        fix2 = modify->fix[modify->nfix-1];
+        fix3 = modify->fix[modify->nfix-1];
         delete [] newarg;
       }
 
@@ -527,17 +526,17 @@ void FixBondReact::post_constructor()
       statted_id = new char[len];
       strcpy(statted_id,"statted_tags");
 
-      // if static group exists, duplicate it, use duplicate as parent group
-      // original will be converted into dynamic per-atom property group
-      if (igroup != -1) {
-        char **newarg;
-        newarg = new char*[3];
-        newarg[0] = (char *) "exclude_PARENT_group";
-        newarg[1] = (char *) "union";
-        newarg[2] = exclude_group;
-        group->assign(3,newarg);
-        delete [] newarg;
-      }
+      // if static group exists, use as parent group
+      // also, rename dynamic exclude_group by appending '_REACT'
+      char *exclude_PARENT_group;
+      int n = strlen(exclude_group) + 1;
+      exclude_PARENT_group = new char[n];
+      strcpy(exclude_PARENT_group,exclude_group);
+      n += strlen("_REACT");
+      delete [] exclude_group;
+      exclude_group = new char[n];
+      strcpy(exclude_group,exclude_PARENT_group);
+      strcat(exclude_group,"_REACT");
 
       group->find_or_create(exclude_group);
       char **newarg;
@@ -545,16 +544,17 @@ void FixBondReact::post_constructor()
       newarg[0] = exclude_group;
       newarg[1] = (char *) "dynamic";
       if (igroup == -1) newarg[2] = (char *) "all";
-      else newarg[2] = (char *) "exclude_PARENT_group";
+      else newarg[2] = (char *) exclude_PARENT_group;
       newarg[3] = (char *) "property";
       newarg[4] = (char *) "statted_tags";
       group->assign(5,newarg);
       delete [] newarg;
+      delete [] exclude_PARENT_group;
 
       // on to statted_tags (system-wide thermostat)
       // intialize per-atom statted_flags to 1
       // (only if not already initialized by restart)
-      if (fix2->restart_reset != 1) {
+      if (fix3->restart_reset != 1) {
         int flag;
         int index = atom->find_custom("statted_tags",flag);
         int *i_statted_tags = atom->ivector[index];
diff --git a/src/USER-MISC/fix_bond_react.h b/src/USER-MISC/fix_bond_react.h
index 472a02be1a..ca1f3bd20c 100644
--- a/src/USER-MISC/fix_bond_react.h
+++ b/src/USER-MISC/fix_bond_react.h
@@ -78,9 +78,9 @@ class FixBondReact : public Fix {
   class Molecule *onemol; // pre-reacted molecule template
   class Molecule *twomol; // post-reacted molecule template
   Fix *fix1;              // nve/limit used to relax reaction sites
-  Fix *fix2;              // properties/atom used to indicate 1) indicate relaxing atoms
-                          //                                  2) system-wide thermostat
-                          //                                  3) to which 'react' atom belongs
+  Fix *fix2;              // properties/atom used to indicate 1) relaxing atoms
+                          //                                  2) to which 'react' atom belongs
+  Fix *fix3;              // property/atom used for system-wide thermostat
   class RanMars **random;
   class NeighList *list;
 

From a37d718ed108d4f89afdee63340ec07ff3e52559 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Sat, 3 Nov 2018 12:01:00 -0600
Subject: [PATCH 058/273] update bond/react examples

---
 .../USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt     | 2 +-
 examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon          | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt b/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt
index f2dc506dde..3982da799d 100644
--- a/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt
+++ b/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt
@@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 &
   react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map
 
 # stable at 800K
-fix 1 statted_grp nvt temp 800 800 100
+fix 1 statted_grp_REACT nvt temp 800 800 100
 
 # in order to customize behavior of reacting atoms,
 # you can use the internally created 'bond_react_MASTER_group', like so:
diff --git a/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon b/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon
index 1f7e9c42b7..73cb2eb270 100644
--- a/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon
+++ b/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon
@@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 &
   react rxn1 all 1 0.0 2.9 mol1 mol2 rxn1_stp1_map &
   react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map
 
-fix 1 statted_grp nvt temp 300 300 100
+fix 1 statted_grp_REACT nvt temp 300 300 100
 
 fix 4 bond_react_MASTER_group temp/rescale 1 300 300 10 1
 

From cb8c51e353ed21b66dba71f906d57b6d72ac3c69 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sat, 3 Nov 2018 18:13:28 +0000
Subject: [PATCH 059/273] Got rid of some of the hard-coded units in the plumed
 interface

---
 src/USER-PLUMED/fix_plumed.cpp | 46 +++++++++++++---------------------
 1 file changed, 17 insertions(+), 29 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 831b7bef6e..7fa1d4c9a7 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -102,39 +102,27 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   // LAMMPS units wrt kj/mol - nm - ps
   // Set up units
 
-  if (force->boltz == 1.0) {
+  if(strcmp(update->unit_style,"lj") == 0) {
     // LAMMPS units lj
     p->cmd("setNaturalUnits");
   } else {
+    // Conversion factor from LAMMPS energy units to kJ mol-1 (units of PLUMED) 
     double energyUnits=1.0;
-    double lengthUnits=1.0;
-    double timeUnits=1.0;
-    if (force->boltz == 0.0019872067) {
-      // LAMMPS units real :: kcal/mol; angstrom; fs
-      energyUnits=4.184;
-      lengthUnits=0.1;
-      timeUnits=0.001;
-    } else if (force->boltz == 8.617343e-5) {
-      // LAMMPS units metal :: eV; angstrom; ps
-      energyUnits=96.48530749925792;
-      lengthUnits=0.1;
-      timeUnits=1.0;
-    } else if (force->boltz == 1.3806504e-23) {
-      // LAMMPS units si :: Joule, m; s
-      energyUnits=0.001;
-      lengthUnits=1.e-9;
-      timeUnits=1.e-12;
-    } else if (force->boltz == 1.3806504e-16) {
-      // LAMMPS units cgs :: erg; cms;, s
-      energyUnits=6.0221418e13;
-      lengthUnits=1.e-7;
-      timeUnits=1.e-12;
-    } else if (force->boltz == 3.16681534e-6) {
-      // LAMMPS units electron :: Hartree, bohr, fs
-      energyUnits=2625.5257;
-      lengthUnits=0.052917725;
-      timeUnits=0.001;
-    } else error->all(FLERR,"Odd LAMMPS units, plumed cannot work with that");
+    // LAMMPS units real :: kcal/mol; 
+    if (strcmp(update->unit_style,"real") == 0) energyUnits=4.184;
+    // LAMMPS units metal :: eV;
+    else if (strcmp(update->unit_style,"metal") == 0) energyUnits=96.48530749925792;
+    // LAMMPS units si :: Joule;
+    else if (strcmp(update->unit_style,"si") == 0) energyUnits=0.001;
+    // LAMMPS units cgs :: erg;
+    else if (strcmp(update->unit_style,"cgs") == 0) energyUnits=6.0221418e13;
+    // LAMMPS units electron :: Hartree;
+    else if (strcmp(update->unit_style,"electron") == 0) energyUnits=2625.5257;
+    else error->all(FLERR,"Odd LAMMPS units, plumed cannot work with that");
+    // Conversion factor from LAMMPS length units to nm (units of PLUMED)
+    double lengthUnits=0.1/force->angstrom;
+    // Conversion factor from LAMMPS time unit to ps (units of PLUMED)
+    double timeUnits=0.001/force->femtosecond;
     p->cmd("setMDEnergyUnits",&energyUnits);
     p->cmd("setMDLengthUnits",&lengthUnits);
     p->cmd("setMDTimeUnits",&timeUnits);

From 8cb665f013a4e212f0b79eb0e49c1a4f66fb7988 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sun, 4 Nov 2018 10:21:28 +0000
Subject: [PATCH 060/273] Added functionality to throw error when time step
 changes and PLUMED is being used

---
 src/USER-PLUMED/fix_plumed.cpp | 5 +++++
 src/USER-PLUMED/fix_plumed.h   | 1 +
 2 files changed, 6 insertions(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 7fa1d4c9a7..8569a1dd4a 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -446,6 +446,11 @@ void FixPlumed::min_post_force(int vflag)
   post_force(vflag);
 }
 
+void FixPlumed::reset_dt()
+{
+  error->all(FLERR,"cannot reset_dt within a fix plumed action"); 
+}
+
 double FixPlumed::compute_scalar()
 {
   return bias;
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index bc1d5af034..fda14606bf 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -41,6 +41,7 @@ class FixPlumed : public Fix {
   void post_force_respa(int, int, int);
   void min_post_force(int);
   double compute_scalar();
+  void reset_dt();
 
  private:
 

From a051d61e1fe382ff7cead7d4619e38713e1f277e Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sun, 4 Nov 2018 11:24:01 +0000
Subject: [PATCH 061/273] Added functionality to support fix modify for fix
 plumed

---
 src/USER-PLUMED/fix_plumed.cpp | 38 ++++++++++++++++++++++++++++++++++
 src/USER-PLUMED/fix_plumed.h   |  1 +
 2 files changed, 39 insertions(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 8569a1dd4a..57cd2b0fef 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -456,4 +456,42 @@ double FixPlumed::compute_scalar()
   return bias;
 }
 
+int FixPlumed::modify_param(int narg, char **arg)
+{
+  if (strcmp(arg[0],"pe") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    modify->delete_compute(id_pe); delete [] id_pe;
+    int n = strlen(arg[1]) + 1;
+    id_pe = new char[n];
+    strcpy(id_pe,arg[1]);
+
+    int icompute = modify->find_compute(arg[1]);
+    if (icompute < 0) error->all(FLERR,"Could not find fix_modify potential energy ID");
+    c_pe = modify->compute[icompute];
+
+    if (c_pe->peflag == 0)
+      error->all(FLERR,"Fix_modify plmd_pe ID does not compute potential energy");
+    if (c_pe->igroup != 0 && comm->me == 0)
+      error->warning(FLERR,"Potential for fix PLUMED is not for group all");
+
+    return 2;
+
+  } else if (strcmp(arg[0],"press") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+    modify->delete_compute(id_press); delete [] id_press;
+    int n = strlen(arg[1]) + 1;
+    id_press = new char[n];
+    strcpy(id_press,arg[1]);
+
+    int icompute = modify->find_compute(arg[1]);
+    if (icompute < 0) error->all(FLERR,"Could not find fix_modify pressure ID");
+    c_press = modify->compute[icompute];
+
+    if (c_press->pressflag == 0)
+      error->all(FLERR,"Fix_modify pressure ID does not compute pressure");
+
+    return 2;
+  }
+  return 0;
+}
 
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index fda14606bf..cd101c3ac5 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -42,6 +42,7 @@ class FixPlumed : public Fix {
   void min_post_force(int);
   double compute_scalar();
   void reset_dt();
+  int modify_param(int narg, char **arg);
 
  private:
 

From a3c0fe77267fcdf7c10bbc4b424337148e58790b Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sun, 4 Nov 2018 11:43:07 +0000
Subject: [PATCH 062/273] Added check on fix modify for PLUMED to ensures that
 virial is calculated for group all

---
 src/USER-PLUMED/fix_plumed.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 57cd2b0fef..087ec3d900 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -489,6 +489,8 @@ int FixPlumed::modify_param(int narg, char **arg)
 
     if (c_press->pressflag == 0)
       error->all(FLERR,"Fix_modify pressure ID does not compute pressure");
+    if (c_press->igroup != 0 && comm->me == 0)
+      error->warning(FLERR,"Virial for fix PLUMED is not for group all");
 
     return 2;
   }

From a3ca177d20c964caba3e1e45959cedf5203a1162 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 4 Nov 2018 19:52:10 -0500
Subject: [PATCH 063/273] various small changes and reformatting

- add memory usage estimator
- test against varying number of atoms
- test against non-consecutive atom tags
- test for 32-bit overflow in number of atoms
- test for 32-bit overflow in timestep
- reduce tail correction error to warning
- more LAMMPS style formatting of the source code
- remove trailing whitespace
- avoid leaking memory from allocated arrays for masses/charges/tags
---
 src/USER-PLUMED/fix_plumed.cpp | 156 +++++++++++++++++++++++----------
 src/USER-PLUMED/fix_plumed.h   |   2 +
 2 files changed, 110 insertions(+), 48 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 087ec3d900..bb8309cf93 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -12,7 +12,8 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author: Gareth Tribello (Queens U, Belfast)
+   Contributing authors: Gareth Tribello (Queens U, Belfast)
+                         Pablo Piaggi (EPFL)
 ------------------------------------------------------------------------- */
 
 #include <cmath>
@@ -56,11 +57,13 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   if (!atom->tag_enable)
     error->all(FLERR,"Fix plumed requires atom tags");
 
+  if (atom->tag_consecutive() == 0)
+    error->all(FLERR,"Fix plumed requires consecutive atom IDs");
+
   if (igroup != 0 && comm->me == 0)
     error->warning(FLERR,"Fix group for fix plumed is not 'all'. "
                    "Group will be ignored.");
 
-
   p=new PLMD::Plumed;
 
   // Check API version
@@ -106,29 +109,53 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
     // LAMMPS units lj
     p->cmd("setNaturalUnits");
   } else {
-    // Conversion factor from LAMMPS energy units to kJ mol-1 (units of PLUMED) 
+
+    // Conversion factor from LAMMPS energy units to kJ/mol (units of PLUMED)
+
     double energyUnits=1.0;
-    // LAMMPS units real :: kcal/mol; 
-    if (strcmp(update->unit_style,"real") == 0) energyUnits=4.184;
-    // LAMMPS units metal :: eV;
-    else if (strcmp(update->unit_style,"metal") == 0) energyUnits=96.48530749925792;
-    // LAMMPS units si :: Joule;
-    else if (strcmp(update->unit_style,"si") == 0) energyUnits=0.001;
-    // LAMMPS units cgs :: erg;
-    else if (strcmp(update->unit_style,"cgs") == 0) energyUnits=6.0221418e13;
-    // LAMMPS units electron :: Hartree;
-    else if (strcmp(update->unit_style,"electron") == 0) energyUnits=2625.5257;
-    else error->all(FLERR,"Odd LAMMPS units, plumed cannot work with that");
+
+    // LAMMPS units real :: kcal/mol;
+
+    if (strcmp(update->unit_style,"real") == 0) {
+      energyUnits=4.184;
+
+      // LAMMPS units metal :: eV;
+
+    } else if (strcmp(update->unit_style,"metal") == 0) {
+      energyUnits=96.48530749925792;
+
+      // LAMMPS units si :: Joule;
+
+    } else if (strcmp(update->unit_style,"si") == 0) {
+      energyUnits=0.001;
+
+      // LAMMPS units cgs :: erg;
+
+    } else if (strcmp(update->unit_style,"cgs") == 0) {
+      energyUnits=6.0221418e13;
+
+      // LAMMPS units electron :: Hartree;
+
+    } else if (strcmp(update->unit_style,"electron") == 0) {
+      energyUnits=2625.5257;
+
+    } else error->all(FLERR,"Fix plumed cannot handle your choice of units");
+
     // Conversion factor from LAMMPS length units to nm (units of PLUMED)
+
     double lengthUnits=0.1/force->angstrom;
+
     // Conversion factor from LAMMPS time unit to ps (units of PLUMED)
+
     double timeUnits=0.001/force->femtosecond;
+
     p->cmd("setMDEnergyUnits",&energyUnits);
     p->cmd("setMDLengthUnits",&lengthUnits);
     p->cmd("setMDTimeUnits",&timeUnits);
   }
 
   // Read fix parameters:
+
   int next=0;
   for (int i=3;i<narg;++i) {
     if (!strcmp(arg[i],"outfile")) {
@@ -161,7 +188,10 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
 
   p->cmd("setMDEngine","LAMMPS");
 
-  int natoms=int(atom->natoms);
+  if (atom->natoms > MAXSMALLINT)
+    error->all(FLERR,"Fix plumed can only handle up to 2.1 billion atoms");
+
+  natoms=int(atom->natoms);
   p->cmd("setNatoms",&natoms);
 
   double dt=update->dt;
@@ -232,6 +262,9 @@ FixPlumed::~FixPlumed()
   delete p;
   modify->delete_compute(id_pe);
   modify->delete_compute(id_press);
+  delete[] masses;
+  delete[] charges;
+  delete[] gatindex;
 }
 
 int FixPlumed::setmask()
@@ -249,8 +282,10 @@ void FixPlumed::init()
 {
   if (strcmp(update->integrate_style,"respa") == 0)
     nlevels_respa = ((Respa *) update->integrate)->nlevels;
+
   // This avoids nan pressure if compute_pressure is called
   // in a setup method
+
   for (int i=0;i<6;i++) virial[i] = 0.;
 }
 
@@ -258,12 +293,12 @@ void FixPlumed::setup(int vflag)
 {
   // Here there is a crucial issue connected to constant pressure
   // simulations. The fix_nh will call the compute_pressure inside
-  // the setup method, that is executed once and for all at the 
-  // beginning of the simulation. Since our fix has a contribution 
+  // the setup method, that is executed once and for all at the
+  // beginning of the simulation. Since our fix has a contribution
   // to the virial, when this happens the variable virial must have
   // been calculated. In other words, the setup method of fix_plumed
-  // has to be executed first. This creates a race condition with the 
-  // setup method of fix_nh. This is why in the constructor I check if 
+  // has to be executed first. This creates a race condition with the
+  // setup method of fix_nh. This is why in the constructor I check if
   // nh fixes have already been called.
   if (strcmp(update->integrate_style,"verlet") == 0)
     post_force(vflag);
@@ -283,21 +318,29 @@ void FixPlumed::min_setup(int vflag)
 
 void FixPlumed::post_force(int /* vflag */)
 {
-// Check tag is enabled
-  if ( !atom->tag_enable ) error->all(FLERR,"to run PLUMED you must have tag_enable==1");
 
   int update_gatindex=0;
-// Try to find out if the domain decomposition has been updated:
-  if (nlocal!=atom->nlocal) {
+
+  if (natoms != int(atom->natoms))
+    error->all(FLERR,"Fix plumed does not support simulations with varying "
+               "numbers of atoms");
+
+  // Try to find out if the domain decomposition has been updated:
+
+  if (nlocal != atom->nlocal) {
+
     if (charges) delete [] charges;
     if (masses) delete [] masses;
     if (gatindex) delete [] gatindex;
+
     nlocal=atom->nlocal;
     gatindex=new int [nlocal];
     masses=new double [nlocal];
     charges=new double [nlocal];
     update_gatindex=1;
+
   } else {
+
     for (int i=0;i<nlocal;i++) {
       if (gatindex[i]!=atom->tag[i]-1) {
         update_gatindex=1;
@@ -307,11 +350,12 @@ void FixPlumed::post_force(int /* vflag */)
   }
   MPI_Allreduce(MPI_IN_PLACE,&update_gatindex,1,MPI_INT,MPI_SUM,world);
 
-// In case it has been updated, rebuild the local mass/charges array
-// and tell plumed about the change:
+  // In case it has been updated, rebuild the local mass/charges array
+  // and tell plumed about the change:
+
   if (update_gatindex) {
     for (int i=0;i<nlocal;i++) gatindex[i]=atom->tag[i]-1;
-    // Get masses 
+    // Get masses
     if (atom->rmass_flag) {
       for (int i=0;i<nlocal;i++) masses[i]=atom->rmass[i];
     } else {
@@ -328,7 +372,7 @@ void FixPlumed::post_force(int /* vflag */)
   }
 
 
-// set up local virial/box. plumed uses full 3x3 matrices
+  // set up local virial/box. plumed uses full 3x3 matrices
   double plmd_virial[3][3];
   for (int i=0;i<3;i++) for (int j=0;j<3;j++) plmd_virial[i][j]=0.0;
   double box[3][3];
@@ -339,21 +383,26 @@ void FixPlumed::post_force(int /* vflag */)
   box[2][1]=domain->h[3];
   box[2][0]=domain->h[4];
   box[1][0]=domain->h[5];
+
   // Make initial of virial of this fix zero
-  // The following line is very important, otherwise the compute pressure will include 
+  // The following line is very important, otherwise
+  // the compute pressure will include
   for (int i=0;i<6;++i) virial[i] = 0.;
 
-// local variable with timestep:
-  int step=update->ntimestep;
+  // local variable with timestep:
+  if (update->ntimestep > MAXSMALLINT)
+    error->all(FLERR,"Fix plumed can only handle up to 2.1 billion timesteps");
+  int step=int(update->ntimestep);
 
-// pass all pointers to plumed:
+  // pass all pointers to plumed:
   p->cmd("setStep",&step);
   p->cmd("setPositions",&atom->x[0][0]);
   p->cmd("setBox",&box[0][0]);
   p->cmd("setForces",&atom->f[0][0]);
   p->cmd("setMasses",&masses[0]);
-  if (atom->q) p->cmd("setCharges",&charges[0]);
+  p->cmd("setCharges",&charges[0]);
   p->cmd("getBias",&bias);
+
   // Pass virial to plumed
   // If energy is needed virial_plmd is equal to Lammps' virial
   // If energy is not needed virial_plmd is initialized to zero
@@ -369,30 +418,37 @@ void FixPlumed::post_force(int /* vflag */)
   double *virial_lmp;
   if (plumedNeedsEnergy) {
     // Error if tail corrections are included
-    if (force->pair && force->pair->tail_flag)
-      error->all(FLERR,"Tail corrections to the pair potential included."
-                 " The energy cannot be biased in this case."
-                 " Remove the tail corrections by removing the"
-                 " command: pair_modify tail yes");
+    if (force->pair && force->pair->tail_flag && comm->me == 0)
+      error->warning(FLERR,"Tail corrections to the pair potential included."
+                     " The energy cannot be biased correctly in this case."
+                     " Remove the tail corrections by removing the"
+                     " command: pair_modify tail yes");
+
     // compute the potential energy
     double pot_energy = 0.;
     c_pe->compute_scalar();
     pot_energy = c_pe->scalar;
+
     // Divide energy by number of processes
     // Plumed wants it this way
     int nprocs;
     MPI_Comm_size(world,&nprocs);
     pot_energy /= nprocs;
     p->cmd("setEnergy",&pot_energy);
+
     // Compute pressure due to the virial (no kinetic energy term!)
     c_press->compute_vector();
     virial_lmp = c_press->vector;
-    // Check if pressure is finite 
-    if (!std::isfinite(virial_lmp[0]) || !std::isfinite(virial_lmp[1]) || !std::isfinite(virial_lmp[2])
-        || !std::isfinite(virial_lmp[3]) || !std::isfinite(virial_lmp[4]) || !std::isfinite(virial_lmp[5]))
+
+    // Check if pressure is finite
+    if (!std::isfinite(virial_lmp[0]) || !std::isfinite(virial_lmp[1])
+        || !std::isfinite(virial_lmp[2]) || !std::isfinite(virial_lmp[3])
+        || !std::isfinite(virial_lmp[4]) || !std::isfinite(virial_lmp[5]))
       error->all(FLERR,"Non-numeric virial - Plumed cannot work with that");
+
     // Convert pressure to virial per number of MPI processes
     // From now on all virials are divided by the number of MPI processes
+
     double nktv2p = force->nktv2p;
     double inv_volume;
     if (domain->dimension == 3) {
@@ -415,12 +471,12 @@ void FixPlumed::post_force(int /* vflag */)
   // do the real calculation:
   p->cmd("performCalc");
 
-// retransform virial to lammps representation and assign it to this fix's virial.
-// Plumed is giving back the full virial and therefore we have to subtract the
-// initial virial i.e. virial_lmp. 
-// The vector virial contains only the contribution added by plumed
-// The calculation of the pressure will be done by a compute pressure and will
-// include this contribution. 
+  // retransform virial to lammps representation and assign it to this
+  // fix's virial.  Plumed is giving back the full virial and therefore
+  // we have to subtract the initial virial i.e. virial_lmp.
+  // The vector virial contains only the contribution added by plumed.
+  // The calculation of the pressure will be done by a compute pressure
+  // and will include this contribution.
   virial[0] = -plmd_virial[0][0]-virial_lmp[0];
   virial[1] = -plmd_virial[1][1]-virial_lmp[1];
   virial[2] = -plmd_virial[2][2]-virial_lmp[2];
@@ -430,7 +486,7 @@ void FixPlumed::post_force(int /* vflag */)
 
   // Ask for the computes in the next time step
   // such that the virial and energy are tallied.
-  // This should be changed to something that triggers the 
+  // This should be changed to something that triggers the
   // calculation only if plumed needs it.
   c_pe->addstep(update->ntimestep+1);
   c_press->addstep(update->ntimestep+1);
@@ -448,7 +504,7 @@ void FixPlumed::min_post_force(int vflag)
 
 void FixPlumed::reset_dt()
 {
-  error->all(FLERR,"cannot reset_dt within a fix plumed action"); 
+  error->all(FLERR,"Cannot change the time step when fix plumed is active");
 }
 
 double FixPlumed::compute_scalar()
@@ -497,3 +553,7 @@ int FixPlumed::modify_param(int narg, char **arg)
   return 0;
 }
 
+double FixPlumed::memory_usage()
+{
+  return double((8+8+4)*atom->nlocal);
+}
diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h
index cd101c3ac5..e20633fadc 100644
--- a/src/USER-PLUMED/fix_plumed.h
+++ b/src/USER-PLUMED/fix_plumed.h
@@ -43,11 +43,13 @@ class FixPlumed : public Fix {
   double compute_scalar();
   void reset_dt();
   int modify_param(int narg, char **arg);
+  double memory_usage();
 
  private:
 
   PLMD::Plumed *p;         // pointer to plumed object
   int nlocal;              // number of atoms local to this process
+  int natoms;              // total number of atoms
   int *gatindex;           // array of atom indexes local to this process
   double *masses;          // array of masses for local atoms
   double *charges;         // array of charges for local atoms

From 6d1ea2d0b1ff2086b700cc3d6554584fac59b85d Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Mon, 5 Nov 2018 00:46:53 -0700
Subject: [PATCH 064/273] broke smooth restarts at some point. fixed

---
 src/USER-MISC/fix_bond_react.cpp | 22 ++++++++++------------
 1 file changed, 10 insertions(+), 12 deletions(-)

diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index 61616f667d..a7b85e92d3 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -486,18 +486,16 @@ void FixBondReact::post_constructor()
 
   // create master_group if not already existing
   // NOTE: limit_tags and react_tags automaticaly intitialized to zero (unless read from restart)
-  if (group->find(master_group) == -1) {
-    group->find_or_create(master_group);
-    char **newarg;
-    newarg = new char*[5];
-    newarg[0] = master_group;
-    newarg[1] = (char *) "dynamic";
-    newarg[2] = (char *) "all";
-    newarg[3] = (char *) "property";
-    newarg[4] = (char *) "limit_tags";
-    group->assign(5,newarg);
-    delete [] newarg;
-  }
+  group->find_or_create(master_group);
+  char **newarg;
+  newarg = new char*[5];
+  newarg[0] = master_group;
+  newarg[1] = (char *) "dynamic";
+  newarg[2] = (char *) "all";
+  newarg[3] = (char *) "property";
+  newarg[4] = (char *) "limit_tags";
+  group->assign(5,newarg);
+  delete [] newarg;
 
   if (stabilization_flag == 1) {
     int igroup = group->find(exclude_group);

From ab7aa9dfdabfb6b3e4adf68a9f9e8aef931c6380 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Mon, 5 Nov 2018 00:49:33 -0700
Subject: [PATCH 065/273] correction to fix group property doc

---
 doc/src/group.txt | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/doc/src/group.txt b/doc/src/group.txt
index 8472677372..256c4ed7f5 100644
--- a/doc/src/group.txt
+++ b/doc/src/group.txt
@@ -225,8 +225,7 @@ atomfile-style variable.  The variable is evaluated and atoms whose
 per-atom values are 0.0, are removed from the dynamic group. If the {property}
 keyword is used, the per-atom property name must be a previously defined
 per-atom property.  The per-atom property is evaluated and atoms whose
-values are 0.0 are removed from the dynamic group, otherwise they
-are added to the group.
+values are 0.0 are removed from the dynamic group.
 
 The assignment of atoms to a dynamic group is done at the beginning of
 each run and on every timestep that is a multiple of {N}, which is the

From 58d2f0cc575d2e2cefc722eba7f8b9da39304cb5 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Mon, 5 Nov 2018 05:55:31 -0700
Subject: [PATCH 066/273] cmake: fix linking again plumed

---
 cmake/CMakeLists.txt | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 89eb9df257..2e2e316ee5 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -532,19 +532,19 @@ if(PKG_USER-PLUMED)
   if(DOWNLOAD_PLUMED)
     include(ExternalProject)
     ExternalProject_Add(plumed_build
-      URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-2.4.3.tgz 
-      URL_MD5 bed9c88c8c635b269c1cd4a0598a2934
+      URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-src-2.4.3.tgz 
+      URL_MD5 b1be7c48971627febc11c61b70767fc5
       BUILD_IN_SOURCE 1
       CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> 
                                                $<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic>                                                  )
     ExternalProject_get_property(plumed_build INSTALL_DIR)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so)
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a ${CMAKE_DL_LIBS})
     set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
   else()
     find_package(PkgConfig REQUIRED)
-    pkg_check_modules(PLUMED plumed REQUIRED)
+    pkg_check_modules(PLUMED plumedWrapper REQUIRED)
     list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
   endif()
   include_directories(${PLUMED_INCLUDE_DIRS})

From ce7f76de1d216156bf390c4a19a431b2129c9309 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Mon, 5 Nov 2018 07:39:23 -0700
Subject: [PATCH 067/273] cmake: switch plumed to full static mode

---
 cmake/CMakeLists.txt | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 2e2e316ee5..9559cb8a41 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -528,6 +528,7 @@ if(PKG_USER-SCAFACOS)
 endif()
 
 if(PKG_USER-PLUMED)
+  find_package(GSL REQUIRED)
   option(DOWNLOAD_PLUMED "Download Plumed (instead of using the system's one)" OFF)
   if(DOWNLOAD_PLUMED)
     include(ExternalProject)
@@ -540,12 +541,14 @@ if(PKG_USER-PLUMED)
     ExternalProject_get_property(plumed_build INSTALL_DIR)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a ${CMAKE_DL_LIBS})
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/plumed/obj/kernel.o
+      ${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o ${GSL_LIBRARIES} ${CMAKE_DL_LIBS})
     set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
   else()
     find_package(PkgConfig REQUIRED)
-    pkg_check_modules(PLUMED plumedWrapper REQUIRED)
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LDFLAGS})
+    pkg_check_modules(PLUMED plumed REQUIRED)
+    include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
+    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LOAD})
   endif()
   include_directories(${PLUMED_INCLUDE_DIRS})
 endif()

From 7ed6cab04051fc1f0caa62b18068b9df053314cf Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 5 Nov 2018 20:35:43 -0500
Subject: [PATCH 068/273] do not generate illegal dihedrals, e.g. from
 3-membered rings

---
 tools/msi2lmp/src/MakeLists.c | 4 ++--
 tools/msi2lmp/src/msi2lmp.c   | 2 ++
 tools/msi2lmp/src/msi2lmp.h   | 2 +-
 3 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/tools/msi2lmp/src/MakeLists.c b/tools/msi2lmp/src/MakeLists.c
index 19924386de..44b9bdd0af 100644
--- a/tools/msi2lmp/src/MakeLists.c
+++ b/tools/msi2lmp/src/MakeLists.c
@@ -363,7 +363,7 @@ int count_dihedrals()
               if (i != k) {
                 for (ll=0; ll < atoms[k].no_connect; ll++) {
                   l = atoms[k].conn_no[ll];
-                  if (l != j) n++;
+                  if ((l != j) && (i != l)) n++
                 }
               }
             }
@@ -391,7 +391,7 @@ void build_dihedrals_list()
               if (i != k) {
                 for (ll=0; ll < atoms[k].no_connect; ll++) {
                   l = atoms[k].conn_no[ll];
-                  if (l != j) {
+                  if ((l != j) && (i != l)) {
                     dihedrals[n  ].type = 0;
                     dihedrals[n  ].members[0] = i;
                     dihedrals[n  ].members[1] = j;
diff --git a/tools/msi2lmp/src/msi2lmp.c b/tools/msi2lmp/src/msi2lmp.c
index b0bc7815ba..efc929639a 100644
--- a/tools/msi2lmp/src/msi2lmp.c
+++ b/tools/msi2lmp/src/msi2lmp.c
@@ -2,6 +2,8 @@
 *
 *  msi2lmp.exe
 *
+*   v3.9.9 AK- Teach msi2lmp to not generate dihedrals with identical 1-4 atoms
+*
 *   v3.9.8 AK- Improved whitespace handling in parsing topology and force
 *              field files to avoid bogus warnings about type name truncation
 *
diff --git a/tools/msi2lmp/src/msi2lmp.h b/tools/msi2lmp/src/msi2lmp.h
index 4716f719d6..c9b1984444 100644
--- a/tools/msi2lmp/src/msi2lmp.h
+++ b/tools/msi2lmp/src/msi2lmp.h
@@ -36,7 +36,7 @@
 
 # include <stdio.h>
 
-#define MSI2LMP_VERSION "v3.9.8 / 06 Oct 2016"
+#define MSI2LMP_VERSION "v3.9.9 / 05 Nov 2018"
 
 #define PI_180  0.01745329251994329576
 

From cb828e957989c2d8af5ebc38c37c929aa5440e9c Mon Sep 17 00:00:00 2001
From: araven <jacques.charles@online.fr>
Date: Tue, 6 Nov 2018 07:48:47 +0100
Subject: [PATCH 069/273] update reference

---
 src/SPIN/fix_nve_spin.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp
index 898eb95396..7d96aca6d4 100644
--- a/src/SPIN/fix_nve_spin.cpp
+++ b/src/SPIN/fix_nve_spin.cpp
@@ -60,8 +60,11 @@ static const char cite_fix_nve_spin[] =
   "dynamics and molecular dynamics},\n"
   "author={Tranchida, J and Plimpton, SJ and Thibaudeau, P and Thompson, AP},\n"
   "journal={Journal of Computational Physics},\n"
+  "volume={372},\n"
+  "pages={406-425},\n"
   "year={2018},\n"
   "publisher={Elsevier}\n"
+  "doi={10.1016/j.jcp.2018.06.042}\n"
   "}\n\n";
 
 enum{NONE};

From 562296bdb7ae475cfcdb223d9765bc3a19cf8775 Mon Sep 17 00:00:00 2001
From: Oliver Henrich <ohenrich@users.noreply.github.com>
Date: Tue, 6 Nov 2018 19:44:35 +0000
Subject: [PATCH 070/273] Updated link to preprint article

---
 doc/src/fix_nve_dot.txt           | 6 ++++--
 doc/src/fix_nve_dotc_langevin.txt | 6 ++++--
 2 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/doc/src/fix_nve_dot.txt b/doc/src/fix_nve_dot.txt
index 06140c2d37..3112b586d1 100644
--- a/doc/src/fix_nve_dot.txt
+++ b/doc/src/fix_nve_dot.txt
@@ -36,8 +36,8 @@ The command is equivalent to the "fix nve"_fix_nve.html.
 The particles are always considered to have a finite size.
 
 An example input file can be found in /examples/USER/cgdna/examples/duplex1/.
-A technical report with more information on this integrator can be found
-"here"_PDF/USER-CGDNA-overview.pdf.
+Further details of the implementation and stability of the integrator are contained in "(Henrich)"_#Henrich3. 
+The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
 :line
 
@@ -59,3 +59,5 @@ See the "Build package"_Build_package.html doc page for more info.
 [(Davidchack)] R.L Davidchack, T.E. Ouldridge, and M.V. Tretyakov. J. Chem. Phys. 142, 144114 (2015).
 :link(Miller1)
 [(Miller)] T. F. Miller III, M. Eleftheriou, P. Pattnaik, A. Ndirango, G. J. Martyna, J. Chem. Phys., 116, 8649-8659 (2002).
+:link(Henrich3)
+[(Henrich)] O. Henrich, Y. A. Gutierrez-Fosado, T. Curk, T. E. Ouldridge, Eur. Phys. J. E 41, 57 (2018).
diff --git a/doc/src/fix_nve_dotc_langevin.txt b/doc/src/fix_nve_dotc_langevin.txt
index 7339f251ad..bb59a8423c 100644
--- a/doc/src/fix_nve_dotc_langevin.txt
+++ b/doc/src/fix_nve_dotc_langevin.txt
@@ -114,8 +114,8 @@ The scale factor after the {angmom} keyword gives the ratio of the rotational to
 the translational friction coefficient.
 
 An example input file can be found in /examples/USER/cgdna/examples/duplex2/.
-A technical report with more information on this integrator can be found
-"here"_PDF/USER-CGDNA-overview.pdf.
+Further details of the implementation and stability of the integrators are contained in "(Henrich)"_#Henrich4.              
+The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
 :line
 
@@ -139,3 +139,5 @@ See the "Build package"_Build_package.html doc page for more info.
 [(Miller)] T. F. Miller III, M. Eleftheriou, P. Pattnaik, A. Ndirango, G. J. Martyna, J. Chem. Phys., 116, 8649-8659 (2002).
 :link(Dunweg3)
 [(Dunweg)] B. Dunweg, W. Paul, Int. J. Mod. Phys. C, 2, 817-27 (1991).
+:link(Henrich4)
+[(Henrich)] O. Henrich, Y. A. Gutierrez-Fosado, T. Curk, T. E. Ouldridge, Eur. Phys. J. E 41, 57 (2018).

From 84fcf01bedcdc4f7586aaa1b95988427386d8d2c Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Tue, 6 Nov 2018 19:59:22 -0700
Subject: [PATCH 071/273] bond/react: allow custom update of charges near
 template edges

also, fixes a bug introduced in PR #1189, when not using stabilization
---
 doc/src/fix_bond_react.txt       | 32 ++++++++++-----
 src/USER-MISC/fix_bond_react.cpp | 67 ++++++++++++++++++++++++++------
 src/USER-MISC/fix_bond_react.h   |  4 +-
 3 files changed, 82 insertions(+), 21 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index fc08a9b14e..e88bd198f3 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -44,7 +44,8 @@ react = mandatory argument indicating new reaction specification :l
       timesteps = number of timesteps to apply internally created nve/limit.html
     {update_edges} value = {none} or {charges} :l
       none = do not update topology near the edges of reaction templates
-      charges = update atomic charges of all atoms in reaction templates :pre
+      charges = update atomic charges of all atoms in reaction templates
+      custom = force the update of user-specified atomic charges :pre
 :ule
 
 [Examples:]
@@ -201,23 +202,30 @@ A discussion of correctly handling this is also provided on the
 The map file is a text document with the following format:
 
 A map file has a header and a body. The header of map file the
-contains one mandatory keyword and one optional keyword. The mandatory
-keyword is 'equivalences' and the optional keyword is 'edgeIDs':
+contains one mandatory keyword and two optional keywords. The mandatory
+keyword is 'equivalences' and the optional keywords are 'edgeIDs' and
+'customIDs':
 
 N {equivalences} = # of atoms N in the reaction molecule templates
-N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template :pre
+N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
+N {customIDs} = # of atoms N that are specified for a custom update :pre
 
-The body of the map file contains two mandatory sections and one
-optional section. The first mandatory section begins with the keyword
+The body of the map file contains two mandatory sections and two
+optional sections. The first mandatory section begins with the keyword
 'BondingIDs' and lists the atom IDs of the bonding atom pair in the
 pre-reacted molecule template. The second mandatory section begins
 with the keyword 'Equivalences' and lists a one-to-one correspondence
 between atom IDs of the pre- and post-reacted templates. The first
 column is an atom ID of the pre-reacted molecule template, and the
 second column is the corresponding atom ID of the post-reacted
-molecule template. The optional section begins with the keyword
+molecule template. The first optional section begins with the keyword
 'EdgeIDs' and lists the atom IDs of edge atoms in the pre-reacted
-molecule template.
+molecule template. The second optional section begins with the keyword
+'Custom Edges' and allows for forcing the update of a specific atom's
+atomic charge. The first column is the ID of an atom near the edge of
+the pre-reacted molecule template, and the value of the second column
+is either 'none' or 'charges.' Further details are provided in the
+discussion of the 'update_edges' keyword.
 
 A sample map file is given below:
 
@@ -282,7 +290,13 @@ The {update_edges} keyword can increase the number of atoms whose
 atomic charges are updated, when the pre-reaction template contains
 edge atoms. When the value is set to 'charges,' all atoms' atomic
 charges are updated to those specified by the post-reaction template,
-including atoms near the edge of reaction templates.
+including atoms near the edge of reaction templates. When the value is
+set to 'custom,' an additional section must be included in the map
+file that specifies whether to update charges, on a per-atom basis.
+The format of this section is detailed above. Listing a pre-reaction
+atom ID with a value of 'charges' will force the update of the atom's
+charge, even if it is near a template edge. Atoms not near a template
+edge are unaffected by this setting.
 
 In order to produce the most physical behavior, this 'reaction site
 equilibration time' should be tuned to be as small as possible while
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index a7b85e92d3..394be64460 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -255,7 +255,10 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
       } else if (strcmp(arg[iarg],"update_edges") == 0) {
         if (iarg+2 > narg) error->all(FLERR,"Illegal fix bond/react command: "
                                       "'update_edges' has too few arguments");
-        if (strcmp(arg[iarg+1],"charges") == 0) update_edges_flag[rxn] = 1;
+        if (strcmp(arg[iarg+1],"none") == 0) update_edges_flag[rxn] = 0;
+        else if (strcmp(arg[iarg+1],"charges") == 0) update_edges_flag[rxn] = 1;
+        else if (strcmp(arg[iarg+1],"custom") == 0) update_edges_flag[rxn] = 2;
+        else error->all(FLERR,"Illegal value for 'update_edges' keyword'");
         iarg += 2;
       } else error->all(FLERR,"Illegal fix bond/react command: unknown keyword");
     }
@@ -271,11 +274,16 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
   memory->create(reverse_equiv,max_natoms,2,nreacts,"bond/react:reverse_equiv");
   memory->create(edge,max_natoms,nreacts,"bond/react:edge");
   memory->create(landlocked_atoms,max_natoms,nreacts,"bond/react:landlocked_atoms");
+  memory->create(custom_edges,max_natoms,nreacts,"bond/react:custom_edges");
 
   for (int j = 0; j < nreacts; j++)
-    for (int i = 0; i < max_natoms; i++) edge[i][j] = 0;
+    for (int i = 0; i < max_natoms; i++) {
+      edge[i][j] = 0;
+      if (update_edges_flag[j] == 1) custom_edges[i][j] = 1;
+      else custom_edges[i][j] = 0;
+    }
 
-  // read all superimpose files afterward
+  // read all map files afterward
   for (int i = 0; i < nreacts; i++) {
     open(files[i]);
     onemol = atom->molecules[unreacted_mol[i]];
@@ -384,6 +392,7 @@ FixBondReact::~FixBondReact()
   memory->destroy(edge);
   memory->destroy(equivalences);
   memory->destroy(reverse_equiv);
+  memory->destroy(custom_edges);
 
   memory->destroy(nevery);
   memory->destroy(cutsq);
@@ -1854,8 +1863,11 @@ void FixBondReact::limit_bond(int limit_bond_mode)
   int index1 = atom->find_custom("limit_tags",flag);
   int *i_limit_tags = atom->ivector[index1];
 
-  int index2 = atom->find_custom(statted_id,flag);
-  int *i_statted_tags = atom->ivector[index2];
+  int *i_statted_tags;
+  if (stabilization_flag == 1) {
+    int index2 = atom->find_custom(statted_id,flag);
+    i_statted_tags = atom->ivector[index2];
+  }
 
   int index3 = atom->find_custom("react_tags",flag);
   int *i_react_tags = atom->ivector[index3];
@@ -1863,7 +1875,7 @@ void FixBondReact::limit_bond(int limit_bond_mode)
   for (int i = 0; i < temp_limit_num; i++) {
     // update->ntimestep could be 0. so add 1 throughout
     i_limit_tags[atom->map(temp_limit_glove[i])] = update->ntimestep + 1;
-    i_statted_tags[atom->map(temp_limit_glove[i])] = 0;
+    if (stabilization_flag == 1) i_statted_tags[atom->map(temp_limit_glove[i])] = 0;
     i_react_tags[atom->map(temp_limit_glove[i])] = rxnID;
   }
 
@@ -1884,8 +1896,11 @@ void FixBondReact::unlimit_bond()
   int index1 = atom->find_custom("limit_tags",flag);
   int *i_limit_tags = atom->ivector[index1];
 
-  int index2 = atom->find_custom(statted_id,flag);
-  int *i_statted_tags = atom->ivector[index2];
+  int *i_statted_tags;
+  if (stabilization_flag == 1) {
+    int index2 = atom->find_custom(statted_id,flag);
+    i_statted_tags = atom->ivector[index2];
+  }
 
   int index3 = atom->find_custom("react_tags",flag);
   int *i_react_tags = atom->ivector[index3];
@@ -1895,7 +1910,7 @@ void FixBondReact::unlimit_bond()
     // first '1': indexing offset, second '1': for next step
     if (i_limit_tags[i] != 0 && (update->ntimestep + 1 - i_limit_tags[i]) > limit_duration[i_react_tags[i]]) { // + 1
       i_limit_tags[i] = 0;
-      i_statted_tags[i] = 1;
+      if (stabilization_flag == 1) i_statted_tags[i] = 1;
       i_react_tags[i] = 0;
     }
   }
@@ -2077,7 +2092,7 @@ void FixBondReact::update_everything()
       twomol = atom->molecules[reacted_mol[rxnID]];
       for (int j = 0; j < twomol->natoms; j++) {
         int jj = equivalences[j][1][rxnID]-1;
-        if ((landlocked_atoms[j][rxnID] == 1 || update_edges_flag[rxnID] == 1) &&
+        if ((landlocked_atoms[j][rxnID] == 1 || custom_edges[jj][rxnID] == 1) &&
             atom->map(update_mega_glove[jj+1][i]) >= 0 &&
             atom->map(update_mega_glove[jj+1][i]) < nlocal) {
           type[atom->map(update_mega_glove[jj+1][i])] = twomol->type[j];
@@ -2520,6 +2535,7 @@ void FixBondReact::read(int myrxn)
 
     if (strstr(line,"edgeIDs")) sscanf(line,"%d",&nedge);
     else if (strstr(line,"equivalences")) sscanf(line,"%d",&nequivalent);
+    else if (strstr(line,"customIDs")) sscanf(line,"%d",&ncustom);
     else break;
   }
 
@@ -2532,7 +2548,7 @@ void FixBondReact::read(int myrxn)
 
   // loop over sections of superimpose file
 
-  int equivflag = 0, edgeflag = 0, bondflag = 0;
+  int equivflag = 0, edgeflag = 0, bondflag = 0, customedgesflag = 0;
   while (strlen(keyword)) {
     if (strcmp(keyword,"BondingIDs") == 0) {
       bondflag = 1;
@@ -2546,6 +2562,9 @@ void FixBondReact::read(int myrxn)
     } else if (strcmp(keyword,"Equivalences") == 0) {
       equivflag = 1;
       Equivalences(line, myrxn);
+    } else if (strcmp(keyword,"Custom Edges") == 0) {
+      customedgesflag = 1;
+      CustomEdges(line, myrxn);
     } else error->one(FLERR,"Unknown section in superimpose file");
 
     parse_keyword(1,line,keyword);
@@ -2555,6 +2574,12 @@ void FixBondReact::read(int myrxn)
   // error check
   if (bondflag == 0 || equivflag == 0)
     error->all(FLERR,"Superimpose file missing BondingIDs or Equivalences section\n");
+
+  if (update_edges_flag[myrxn] == 2 && customedgesflag == 0)
+    error->all(FLERR,"Map file must have a Custom Edges section when using 'update_edges custom'\n");
+
+  if (update_edges_flag[myrxn] != 2 && customedgesflag == 1)
+    error->all(FLERR,"Specify 'update_edges custom' to include Custom Edges section in map file\n");
 }
 
 void FixBondReact::EdgeIDs(char *line, int myrxn)
@@ -2585,6 +2610,26 @@ void FixBondReact::Equivalences(char *line, int myrxn)
   }
 }
 
+void FixBondReact::CustomEdges(char *line, int myrxn)
+{
+  // 0 for 'none', 1 for 'charges'
+
+  int tmp;
+  int n = MAX(strlen("none"),strlen("charges")) + 1;
+  char *edgemode = new char[n];
+  for (int i = 0; i < ncustom; i++) {
+    readline(line);
+    sscanf(line,"%d %s",&tmp,edgemode);
+    if (strcmp(edgemode,"none") == 0)
+      custom_edges[tmp-1][myrxn] = 0;
+    else if (strcmp(edgemode,"charges") == 0)
+      custom_edges[tmp-1][myrxn] = 1;
+    else
+      error->one(FLERR,"Illegal value in 'Custom Edges' section of map file");
+  }
+  delete [] edgemode;
+}
+
 void FixBondReact::open(char *file)
 {
   fp = fopen(file,"r");
diff --git a/src/USER-MISC/fix_bond_react.h b/src/USER-MISC/fix_bond_react.h
index ca1f3bd20c..d54ab7c385 100644
--- a/src/USER-MISC/fix_bond_react.h
+++ b/src/USER-MISC/fix_bond_react.h
@@ -101,7 +101,7 @@ class FixBondReact : public Fix {
 
   int *ibonding,*jbonding;
   int *closeneigh; // indicates if bonding atoms of a rxn are 1-2, 1-3, or 1-4 neighbors
-  int nedge,nequivalent; // number of edge, equivalent atoms in mapping file
+  int nedge,nequivalent,ncustom; // number of edge, equivalent, custom atoms in mapping file
   int attempted_rxn; // there was an attempt!
   int *local_rxn_count;
   int *ghostly_rxn_count;
@@ -115,6 +115,7 @@ class FixBondReact : public Fix {
   int ***equivalences; // relation between pre- and post-reacted templates
   int ***reverse_equiv; // re-ordered equivalences
   int **landlocked_atoms; // all atoms at least three bonds away from edge atoms
+  int **custom_edges; // atoms in molecule templates with incorrect valences
 
   int **nxspecial,**onemol_nxspecial,**twomol_nxspecial; // full number of 1-4 neighbors
   tagint **xspecial,**onemol_xspecial,**twomol_xspecial; // full 1-4 neighbor list
@@ -136,6 +137,7 @@ class FixBondReact : public Fix {
   void read(int);
   void EdgeIDs(char *,int);
   void Equivalences(char *,int);
+  void CustomEdges(char *,int);
 
   void make_a_guess ();
   void neighbor_loop();

From bdf73f7adb5c449c5e607746e26fe84d5d6e28e9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:07:35 -0500
Subject: [PATCH 072/273] ignore USER-SDPD files when installed

---
 src/.gitignore | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/src/.gitignore b/src/.gitignore
index 4f517af3af..f85e8eb86c 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -485,6 +485,8 @@
 /fix_load_report.h
 /fix_meso.cpp
 /fix_meso.h
+/fix_meso_move.cpp
+/fix_meso_move.h
 /fix_meso_stationary.cpp
 /fix_meso_stationary.h
 /fix_mscg.cpp
@@ -573,6 +575,8 @@
 /fix_rhok.h
 /fix_rigid.cpp
 /fix_rigid.h
+/fix_rigid_meso.cpp
+/fix_rigid_meso.h
 /fix_rigid_nh.cpp
 /fix_rigid_nh.h
 /fix_rigid_nph.cpp
@@ -901,6 +905,8 @@
 /pair_rebo.h
 /pair_resquared.cpp
 /pair_resquared.h
+/pair_sdpd_taitwater_isothermal.cpp
+/pair_sdpd_taitwater_isothermal.h
 /pair_sph_heatconduction.cpp
 /pair_sph_heatconduction.h
 /pair_sph_idealgas.cpp

From df232c1cf68353e55fdecacdf727c8f274b35f48 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:09:05 -0500
Subject: [PATCH 073/273] use c++ style include files for c-library functions

---
 src/USER-SDPD/fix_meso_move.cpp                  | 4 ++--
 src/USER-SDPD/fix_rigid_meso.cpp                 | 2 +-
 src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp | 4 ++--
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/USER-SDPD/fix_meso_move.cpp b/src/USER-SDPD/fix_meso_move.cpp
index 3e2902d0cc..7dd1b5c34d 100644
--- a/src/USER-SDPD/fix_meso_move.cpp
+++ b/src/USER-SDPD/fix_meso_move.cpp
@@ -16,8 +16,8 @@
       Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
 ------------------------------------------------------------------------- */
 
-#include "string.h"
-#include "math.h"
+#include <cstring>
+#include <cmath>
 #include "fix_meso_move.h"
 #include "atom.h"
 #include "group.h"
diff --git a/src/USER-SDPD/fix_rigid_meso.cpp b/src/USER-SDPD/fix_rigid_meso.cpp
index fd881852f7..0abd850fec 100644
--- a/src/USER-SDPD/fix_rigid_meso.cpp
+++ b/src/USER-SDPD/fix_rigid_meso.cpp
@@ -27,7 +27,7 @@
     and all codes relevant to that has been removed
 ------------------------------------------------------------------------- */
 
-#include <math.h>
+#include <cmath>
 #include "fix_rigid_meso.h"
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index d8c32e7f6c..5e19ba542c 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -18,8 +18,8 @@
     references: Espanol and Revenga, Phys Rev E 67, 026705 (2003)
 ------------------------------------------------------------------------- */
 
-#include <math.h>
-#include <stdlib.h>
+#include <cmath>
+#include <cstdlib>
 #include "pair_sdpd_taitwater_isothermal.h"
 #include "atom.h"
 #include "force.h"

From 31277349c6f95454d6c0fb94c9d29554bb8de52a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:10:27 -0500
Subject: [PATCH 074/273] remove dead code and avoid compiler warnings

---
 src/USER-SDPD/fix_meso_move.cpp                  |  3 +--
 src/USER-SDPD/fix_rigid_meso.cpp                 | 10 +++++-----
 src/USER-SDPD/fix_rigid_meso.h                   |  2 +-
 src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp |  3 +--
 4 files changed, 8 insertions(+), 10 deletions(-)

diff --git a/src/USER-SDPD/fix_meso_move.cpp b/src/USER-SDPD/fix_meso_move.cpp
index 7dd1b5c34d..4e591c9088 100644
--- a/src/USER-SDPD/fix_meso_move.cpp
+++ b/src/USER-SDPD/fix_meso_move.cpp
@@ -397,7 +397,6 @@ void FixMesoMove::initial_integrate (int /*vflag*/) {
   double *e = atom->e;
   double *de = atom->de;
   double **f = atom->f;
-  double **omega = atom->omega;
   double *rmass = atom->rmass;
   double *mass = atom->mass;
   int *type = atom->type;
@@ -987,7 +986,7 @@ int FixMesoMove::maxsize_restart () {
    size of atom nlocal's restart data
 ------------------------------------------------------------------------- */
 
-int FixMesoMove::size_restart (int nlocal) {
+int FixMesoMove::size_restart (int /* nlocal */) {
   return 4;
 }
 
diff --git a/src/USER-SDPD/fix_rigid_meso.cpp b/src/USER-SDPD/fix_rigid_meso.cpp
index 0abd850fec..4889acd0de 100644
--- a/src/USER-SDPD/fix_rigid_meso.cpp
+++ b/src/USER-SDPD/fix_rigid_meso.cpp
@@ -52,7 +52,7 @@ FixRigid (lmp, narg, arg) {
   size_array_cols = 28;
   if ((atom->e_flag != 1) || (atom->rho_flag != 1))
     error->all (FLERR, "fix rigid/meso command requires atom_style with"
-                       " both energy and density");
+                " both energy and density");
   
   if (langflag || tstat_flag)
     error->all (FLERR,"Can not use thermostat with fix rigid/meso");
@@ -179,8 +179,8 @@ void FixRigidMeso::initial_integrate (int vflag) {
 /* ---------------------------------------------------------------------- */
 
 void FixRigidMeso::final_integrate () {
-  int i,ibody;
-  double dtfm,xy,xz,yz;
+  int ibody;
+  double dtfm;
   double mbody[3],tbody[3],fquat[4];
 
   double dtf2 = dtf * 2.0;
@@ -248,7 +248,7 @@ void FixRigidMeso::set_xv () {
   int xbox,ybox,zbox;
   double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
   double xy,xz,yz;
-  double ione[3],exone[3],eyone[3],ezone[3],vr[6],p[3][3];
+  double vr[6];
 
   double **x = atom->x;
   double **v = atom->v;
@@ -379,7 +379,7 @@ void FixRigidMeso::set_v () {
   int xbox,ybox,zbox;
   double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
   double xy,xz,yz;
-  double ione[3],exone[3],eyone[3],ezone[3],delta[3],vr[6];
+  double delta[3],vr[6];
 
   double **x = atom->x;
   double **v = atom->v;
diff --git a/src/USER-SDPD/fix_rigid_meso.h b/src/USER-SDPD/fix_rigid_meso.h
index ac73a9503b..6945e3c144 100644
--- a/src/USER-SDPD/fix_rigid_meso.h
+++ b/src/USER-SDPD/fix_rigid_meso.h
@@ -32,7 +32,7 @@ class FixRigidMeso : public FixRigid {
   void setup (int);
   void initial_integrate (int);
   void final_integrate ();
-  double compute_scalar () {}
+  double compute_scalar () { return 0.0; }
   double compute_array (int, int);
 
  protected:
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index 5e19ba542c..3a83e41341 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -67,7 +67,7 @@ void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
   int *ilist, *jlist, *numneigh, **firstneigh;
   double vxtmp, vytmp, vztmp, imass, jmass, fi, fj, fvisc;
   double h, ih, ihsq, velx, vely, velz;
-  double rsq, tmp, wfd, delVdotDelR, deltaE;
+  double rsq, tmp, wfd, delVdotDelR;
   double prefactor, wiener[3][3], f_random[3];
 
   if (eflag || vflag) ev_setup (eflag, vflag);
@@ -78,7 +78,6 @@ void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
   double **f = atom->f;
   double *rho = atom->rho;
   double *mass = atom->mass;
-  double *de = atom->de;
   double *drho = atom->drho;
   int *type = atom->type;
   int nlocal = atom->nlocal;

From 2d12260ade030bebec70d7ce32dce1e8c3852ef1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:13:05 -0500
Subject: [PATCH 075/273] remove bogus single function and set single_enable =
 0

---
 src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp | 10 +---------
 src/USER-SDPD/pair_sdpd_taitwater_isothermal.h   |  3 +--
 src/USER-SPH/pair_sph_taitwater.cpp              | 10 +---------
 src/USER-SPH/pair_sph_taitwater.h                |  1 -
 src/USER-SPH/pair_sph_taitwater_morris.cpp       |  9 +--------
 src/USER-SPH/pair_sph_taitwater_morris.h         |  1 -
 6 files changed, 4 insertions(+), 30 deletions(-)

diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index 3a83e41341..9669a2bb13 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -42,6 +42,7 @@ static const double sqrt_2_inv = std::sqrt(0.5);
 PairSDPDTaitwaterIsothermal::PairSDPDTaitwaterIsothermal (LAMMPS *lmp)
 : Pair (lmp) {
   restartinfo = 0;
+  single_enable =0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -309,12 +310,3 @@ double PairSDPDTaitwaterIsothermal::init_one (int i, int j) {
   return cut[i][j];
 }
 
-/* ---------------------------------------------------------------------- */
-
-double PairSDPDTaitwaterIsothermal::single (int /*i*/, int /*j*/, int /*itype*/,
-                    int /*jtype*/, double /*rsq*/, double /*factor_coul*/,
-                    double /*factor_lj*/, double &fforce) {
-  fforce = 0.0;
-
-  return 0.0;
-}
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h
index afa21c4132..caaa0759d0 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h
@@ -36,7 +36,6 @@ class PairSDPDTaitwaterIsothermal : public Pair {
   void settings (int, char **);
   void coeff (int, char **);
   virtual double init_one (int, int);
-  virtual double single (int, int, int, int, double, double, double, double &);
 
  protected:
   double viscosity, temperature;
@@ -44,7 +43,7 @@ class PairSDPDTaitwaterIsothermal : public Pair {
   double **cut;
 
   void allocate ();
-  
+
   unsigned int seed;
 #ifdef USE_ZEST
   std::mt19937_64 generator;
diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp
index 42b318f2c9..a7a57825b8 100644
--- a/src/USER-SPH/pair_sph_taitwater.cpp
+++ b/src/USER-SPH/pair_sph_taitwater.cpp
@@ -29,7 +29,7 @@ using namespace LAMMPS_NS;
 PairSPHTaitwater::PairSPHTaitwater(LAMMPS *lmp) : Pair(lmp)
 {
   restartinfo = 0;
-
+  single_enable = 0;
   first = 1;
 }
 
@@ -291,11 +291,3 @@ double PairSPHTaitwater::init_one(int i, int j) {
   return cut[i][j];
 }
 
-/* ---------------------------------------------------------------------- */
-
-double PairSPHTaitwater::single(int /*i*/, int /*j*/, int /*itype*/, int /*jtype*/,
-    double /*rsq*/, double /*factor_coul*/, double /*factor_lj*/, double &fforce) {
-  fforce = 0.0;
-
-  return 0.0;
-}
diff --git a/src/USER-SPH/pair_sph_taitwater.h b/src/USER-SPH/pair_sph_taitwater.h
index adcca80b22..ea4cfd8b26 100644
--- a/src/USER-SPH/pair_sph_taitwater.h
+++ b/src/USER-SPH/pair_sph_taitwater.h
@@ -32,7 +32,6 @@ class PairSPHTaitwater : public Pair {
   void settings(int, char **);
   void coeff(int, char **);
   virtual double init_one(int, int);
-  virtual double single(int, int, int, int, double, double, double, double &);
 
  protected:
   double *rho0, *soundspeed, *B;
diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp
index 8012895af8..f2df992322 100644
--- a/src/USER-SPH/pair_sph_taitwater_morris.cpp
+++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp
@@ -30,6 +30,7 @@ PairSPHTaitwaterMorris::PairSPHTaitwaterMorris(LAMMPS *lmp) : Pair(lmp)
 {
   restartinfo = 0;
   first = 1;
+  single_enable = 0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -287,11 +288,3 @@ double PairSPHTaitwaterMorris::init_one(int i, int j) {
   return cut[i][j];
 }
 
-/* ---------------------------------------------------------------------- */
-
-double PairSPHTaitwaterMorris::single(int /*i*/, int /*j*/, int /*itype*/, int /*jtype*/,
-    double /*rsq*/, double /*factor_coul*/, double /*factor_lj*/, double &fforce) {
-  fforce = 0.0;
-
-  return 0.0;
-}
diff --git a/src/USER-SPH/pair_sph_taitwater_morris.h b/src/USER-SPH/pair_sph_taitwater_morris.h
index 0a66e0ebaf..2736e347e1 100644
--- a/src/USER-SPH/pair_sph_taitwater_morris.h
+++ b/src/USER-SPH/pair_sph_taitwater_morris.h
@@ -32,7 +32,6 @@ class PairSPHTaitwaterMorris : public Pair {
   void settings(int, char **);
   void coeff(int, char **);
   virtual double init_one(int, int);
-  virtual double single(int, int, int, int, double, double, double, double &);
 
  protected:
   double *rho0, *soundspeed, *B;

From baa7b705b86c82a2e1727b3ea826b33208e98009 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:13:38 -0500
Subject: [PATCH 076/273] improve logic and grammar of error messages

---
 src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp | 12 +++++++-----
 src/USER-SPH/pair_sph_heatconduction.cpp         |  2 +-
 src/USER-SPH/pair_sph_idealgas.cpp               |  2 +-
 src/USER-SPH/pair_sph_lj.cpp                     |  2 +-
 src/USER-SPH/pair_sph_rhosum.cpp                 |  2 +-
 src/USER-SPH/pair_sph_taitwater.cpp              |  4 ++--
 src/USER-SPH/pair_sph_taitwater_morris.cpp       |  4 ++--
 7 files changed, 15 insertions(+), 13 deletions(-)

diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index 9669a2bb13..0350843eb7 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -238,8 +238,9 @@ void PairSDPDTaitwaterIsothermal::allocate () {
  ------------------------------------------------------------------------- */
 
 void PairSDPDTaitwaterIsothermal::settings (int narg, char **arg) {
-  if (narg != 2 && narg != 3) error->all (FLERR, "Illegal number of setting "
-    "arguments for pair_style sdpd/taitwater/morris/isothermal");
+  if (narg != 2 && narg != 3)
+    error->all (FLERR, "Illegal number of arguments for "
+                "pair_style sdpd/taitwater/morris/isothermal");
   
   temperature = force->numeric (FLERR, arg[0]);
   viscosity = force->numeric (FLERR, arg[1]);
@@ -262,8 +263,9 @@ void PairSDPDTaitwaterIsothermal::settings (int narg, char **arg) {
  ------------------------------------------------------------------------- */
 
 void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
-  if (narg != 5) error->all (FLERR, "Incorrect args for pair_style "
-    "sph/taitwater/morris coefficients");
+  if (narg != 5)
+    error->all (FLERR, "Incorrect args for pair_style "
+                "sph/taitwater/morris coefficients");
   
   if (!allocated) allocate();
 
@@ -303,7 +305,7 @@ void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
 
 double PairSDPDTaitwaterIsothermal::init_one (int i, int j) {
   if (setflag[i][j] == 0) 
-    error->all(FLERR,"Not all pair sph/taitwater/morris coeffs are not set");
+    error->all(FLERR,"Not all pair sph/taitwater/morris coeffs are set");
 
   cut[j][i] = cut[i][j];
 
diff --git a/src/USER-SPH/pair_sph_heatconduction.cpp b/src/USER-SPH/pair_sph_heatconduction.cpp
index 4a8990d6fd..c93e8040b2 100644
--- a/src/USER-SPH/pair_sph_heatconduction.cpp
+++ b/src/USER-SPH/pair_sph_heatconduction.cpp
@@ -158,7 +158,7 @@ void PairSPHHeatConduction::allocate() {
 void PairSPHHeatConduction::settings(int narg, char **/*arg*/) {
   if (narg != 0)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/heatconduction");
+        "Illegal number of arguments for pair_style sph/heatconduction");
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-SPH/pair_sph_idealgas.cpp b/src/USER-SPH/pair_sph_idealgas.cpp
index 32b3e61233..d12ee06736 100644
--- a/src/USER-SPH/pair_sph_idealgas.cpp
+++ b/src/USER-SPH/pair_sph_idealgas.cpp
@@ -200,7 +200,7 @@ void PairSPHIdealGas::allocate() {
 void PairSPHIdealGas::settings(int narg, char **/*arg*/) {
   if (narg != 0)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/idealgas");
+        "Illegal number of arguments for pair_style sph/idealgas");
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-SPH/pair_sph_lj.cpp b/src/USER-SPH/pair_sph_lj.cpp
index c382833baf..3a30ecb5fa 100644
--- a/src/USER-SPH/pair_sph_lj.cpp
+++ b/src/USER-SPH/pair_sph_lj.cpp
@@ -207,7 +207,7 @@ void PairSPHLJ::allocate() {
 void PairSPHLJ::settings(int narg, char **/*arg*/) {
   if (narg != 0)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/lj");
+        "Illegal number of arguments for pair_style sph/lj");
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp
index 7a3c78efd0..896a422782 100644
--- a/src/USER-SPH/pair_sph_rhosum.cpp
+++ b/src/USER-SPH/pair_sph_rhosum.cpp
@@ -228,7 +228,7 @@ void PairSPHRhoSum::allocate() {
 void PairSPHRhoSum::settings(int narg, char **arg) {
   if (narg != 1)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/rhosum");
+        "Illegal number of arguments for pair_style sph/rhosum");
   nstep = force->inumeric(FLERR,arg[0]);
 }
 
diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp
index a7a57825b8..9d5a417e5b 100644
--- a/src/USER-SPH/pair_sph_taitwater.cpp
+++ b/src/USER-SPH/pair_sph_taitwater.cpp
@@ -228,7 +228,7 @@ void PairSPHTaitwater::allocate() {
 void PairSPHTaitwater::settings(int narg, char **/*arg*/) {
   if (narg != 0)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/taitwater");
+        "Illegal number of arguments for pair_style sph/taitwater");
 }
 
 /* ----------------------------------------------------------------------
@@ -282,7 +282,7 @@ void PairSPHTaitwater::coeff(int narg, char **arg) {
 double PairSPHTaitwater::init_one(int i, int j) {
 
   if (setflag[i][j] == 0) {
-    error->all(FLERR,"Not all pair sph/taitwater coeffs are set");
+    error->all(FLERR,"All pair sph/taitwater coeffs are set");
   }
 
   cut[j][i] = cut[i][j];
diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp
index f2df992322..fb745ac7da 100644
--- a/src/USER-SPH/pair_sph_taitwater_morris.cpp
+++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp
@@ -229,7 +229,7 @@ void PairSPHTaitwaterMorris::allocate() {
 void PairSPHTaitwaterMorris::settings(int narg, char **/*arg*/) {
   if (narg != 0)
     error->all(FLERR,
-        "Illegal number of setting arguments for pair_style sph/taitwater/morris");
+        "Illegal number of arguments for pair_style sph/taitwater/morris");
 }
 
 /* ----------------------------------------------------------------------
@@ -279,7 +279,7 @@ void PairSPHTaitwaterMorris::coeff(int narg, char **arg) {
 double PairSPHTaitwaterMorris::init_one(int i, int j) {
 
   if (setflag[i][j] == 0) {
-    error->all(FLERR,"Not all pair sph/taitwater/morris coeffs are not set");
+    error->all(FLERR,"All pair sph/taitwater/morris coeffs are not set");
   }
 
   cut[j][i] = cut[i][j];

From a1e8992eac98656b66877ec0ad5e2fed90783b11 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:21:19 -0500
Subject: [PATCH 077/273] replace non-ASCII characters

---
 doc/src/pair_sdpd_taitwater_isothermal.txt | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/src/pair_sdpd_taitwater_isothermal.txt b/doc/src/pair_sdpd_taitwater_isothermal.txt
index 97b68ceba7..fba97e1bc2 100644
--- a/doc/src/pair_sdpd_taitwater_isothermal.txt
+++ b/doc/src/pair_sdpd_taitwater_isothermal.txt
@@ -26,7 +26,7 @@ pair_coeff * * 1000.0 1430.0 2.4 :pre
 
 The sdpd/taitwater/isothermal style computes forces between mesoscopic
 particles according to the Smoothed Dissipative Particle Dynamics model
-described in this paper by "(Español and Revenga)"_#Español_Revenga under
+described in this paper by "(Espanol and Revenga)"_#Espanol_Revenga under
 the following assumptions:
 
 :olb
@@ -49,7 +49,7 @@ where gamma = 7 and B = c_0^2 rho_0 / gamma, with rho_0 being the
 reference density and c_0 the reference speed of sound.
 
 The laminar viscosity and the random forces will be computed according
-to formulas described in "(Español and Revenga)"_#Español_Revenga.
+to formulas described in "(Espanol and Revenga)"_#Espanol_Revenga.
 
 IMPORTANT NOTE: Similar to "brownian"_pair_brownian.html and
 "dpd"_pair_dpd.html styles, the "newton"_newton.html setting for
@@ -104,5 +104,5 @@ The default seed is 0 (before mixing).
 
 :line
 
-:link(Español_Revenga)
-[(Español and Revenga)] Español, Revenga, Physical Review E, 67, 026705 (2003).
+:link(Espanol_Revenga)
+[(Espanol and Revenga)] Espanol, Revenga, Physical Review E, 67, 026705 (2003).

From bbb371134dca7ce59f0f9d3a38b308d1e4f92b7b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 6 Nov 2018 22:38:02 -0500
Subject: [PATCH 078/273] include USER-SDPD package in list of user packages in
 conventional make

---
 src/Makefile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/Makefile b/src/Makefile
index 7d31c81c75..b6aa5e0d92 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -63,7 +63,7 @@ PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
 	   user-mgpt user-misc user-mofff user-molfile \
 	   user-netcdf user-omp user-phonon user-ptm user-qmmm user-qtb \
 	   user-quip user-reaxc user-scafacos user-smd user-smtbq \
-	   user-sph user-tally user-uef user-vtk
+	   user-sdpd user-sph user-tally user-uef user-vtk
 
 PACKLIB = compress gpu kim kokkos latte meam message mpiio mscg poems \
 	  python reax voronoi \

From f2a29880e28a56305313d86014c66b02de5f6970 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 8 Nov 2018 16:48:43 -0500
Subject: [PATCH 079/273] patch 9Nov2018

---
 doc/src/Manual.txt | 4 ++--
 src/version.h      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index 2777735d6d..b109937034 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="24 Oct 2018 version">
+<META NAME="docnumber" CONTENT="9 Nov 2018 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-24 Oct 2018 version :c,h2
+9 Nov 2018 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/src/version.h b/src/version.h
index 62ba229b7e..bf3eb42707 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "24 Oct 2018"
+#define LAMMPS_VERSION "9 Nov 2018"

From adeb0c2b547df69a8ae15f08df5471858a2d26ad Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 8 Nov 2018 14:17:51 -0500
Subject: [PATCH 080/273] replace faulty preprocessor logic

fixes #1196
---
 src/USER-VTK/dump_vtk.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/USER-VTK/dump_vtk.cpp b/src/USER-VTK/dump_vtk.cpp
index edbc647a81..88e95dd338 100644
--- a/src/USER-VTK/dump_vtk.cpp
+++ b/src/USER-VTK/dump_vtk.cpp
@@ -93,10 +93,10 @@ enum{VTK,VTP,VTU,PVTP,PVTU}; // file formats
 #define ONEFIELD 32
 #define DELTA 1048576
 
-#if VTK_MAJOR_VERSION >= 7
-#define InsertNextTupleValue InsertNextTypedTuple
-#elif VTK_MAJOR_VERSION > 8
+#if (VTK_MAJOR_VERSION < 5) || (VTK_MAJOR_VERSION > 8)
 #error This code has only been tested with VTK 5, 6, 7, and 8
+#elif VTK_MAJOR_VERSION > 6
+#define InsertNextTupleValue InsertNextTypedTuple
 #endif
 
 /* ---------------------------------------------------------------------- */

From 62b11596735682c3fa900ee060ace58c0b96e61c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 8 Nov 2018 17:27:39 -0500
Subject: [PATCH 081/273] update presets for USER-PLUMED package. fix typo.

---
 cmake/presets/all_off.cmake          | 2 +-
 cmake/presets/all_on.cmake           | 2 +-
 cmake/presets/manual_selection.cmake | 3 ++-
 cmake/presets/nolib.cmake            | 2 +-
 cmake/presets/user.cmake             | 2 +-
 5 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake
index 9021dedc08..b434796d7c 100644
--- a/cmake/presets/all_off.cmake
+++ b/cmake/presets/all_off.cmake
@@ -13,7 +13,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
                       USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
+                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
 
 set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
 
diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake
index ef17e38914..3a1100f337 100644
--- a/cmake/presets/all_on.cmake
+++ b/cmake/presets/all_on.cmake
@@ -13,7 +13,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
                       USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
+                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
 
 set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
 
diff --git a/cmake/presets/manual_selection.cmake b/cmake/presets/manual_selection.cmake
index 35a45a5c87..6db41b708c 100644
--- a/cmake/presets/manual_selection.cmake
+++ b/cmake/presets/manual_selection.cmake
@@ -56,7 +56,8 @@ set(PKG_USER-MOFFF OFF CACHE BOOL "" FORCE)
 set(PKG_USER-MOLFILE OFF CACHE BOOL "" FORCE)
 set(PKG_USER-NETCDF OFF CACHE BOOL "" FORCE)
 set(PKG_USER-OMP OFF CACHE BOOL "" FORCE)
-set(PKG_USER-PHOFFOFF OFF CACHE BOOL "" FORCE)
+set(PKG_USER-PHONON OFF CACHE BOOL "" FORCE)
+set(PKG_USER-PLUMED OFF CACHE BOOL "" FORCE)
 set(PKG_USER-QMMM OFF CACHE BOOL "" FORCE)
 set(PKG_USER-QTB OFF CACHE BOOL "" FORCE)
 set(PKG_USER-QUIP OFF CACHE BOOL "" FORCE)
diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake
index 54db12a851..4c02fb6210 100644
--- a/cmake/presets/nolib.cmake
+++ b/cmake/presets/nolib.cmake
@@ -13,7 +13,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
                       USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
+                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
 
 set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
 
diff --git a/cmake/presets/user.cmake b/cmake/presets/user.cmake
index afb030d3d6..af606203e9 100644
--- a/cmake/presets/user.cmake
+++ b/cmake/presets/user.cmake
@@ -13,7 +13,7 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
 
 set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
                       USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
-                      USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
+                      USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)
 
 set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})
 

From fe04147ee0ce4f641ee1f378c198f11f5e9fe19b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Nov 2018 01:09:22 -0500
Subject: [PATCH 082/273] fix typo

---
 tools/msi2lmp/src/MakeLists.c | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/msi2lmp/src/MakeLists.c b/tools/msi2lmp/src/MakeLists.c
index 44b9bdd0af..18b261a561 100644
--- a/tools/msi2lmp/src/MakeLists.c
+++ b/tools/msi2lmp/src/MakeLists.c
@@ -363,7 +363,7 @@ int count_dihedrals()
               if (i != k) {
                 for (ll=0; ll < atoms[k].no_connect; ll++) {
                   l = atoms[k].conn_no[ll];
-                  if ((l != j) && (i != l)) n++
+                  if ((l != j) && (i != l)) n++;
                 }
               }
             }

From ab8215a669750c1f4f7d9da3459847bb2cffe3bb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Nov 2018 01:09:31 -0500
Subject: [PATCH 083/273] remove dead code

---
 tools/msi2lmp/src/ReadCarFile.c | 2 --
 1 file changed, 2 deletions(-)

diff --git a/tools/msi2lmp/src/ReadCarFile.c b/tools/msi2lmp/src/ReadCarFile.c
index c6db96cf92..7932f7d6e2 100644
--- a/tools/msi2lmp/src/ReadCarFile.c
+++ b/tools/msi2lmp/src/ReadCarFile.c
@@ -77,7 +77,6 @@ void ReadCarFile(void)
   double cos_gamma;
   double sin_gamma;
   double cos_beta;
-  double sin_beta;
   double A, B, C;
   double center[3];
   double hmat[6];
@@ -265,7 +264,6 @@ void ReadCarFile(void)
       cos_gamma = cos(pbc[5]*PI_180);
       sin_gamma = sin(pbc[5]*PI_180);
       cos_beta =  cos(pbc[4]*PI_180);
-      sin_beta =  sin(pbc[4]*PI_180);
       if (pflag > 2) {
         printf(" pbc[3] %f pbc[4] %f pbc[5] %f\n", pbc[3] ,pbc[4] ,pbc[5]);
         printf(" cos_alpha %f cos_beta %f cos_gamma %f\n", cos_alpha ,cos_beta ,cos_gamma);

From 729201ab93f7981d5743eec9d93630003210b075 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Nov 2018 08:03:19 -0500
Subject: [PATCH 084/273] fix typo reported in #1199

---
 doc/src/Build_basics.txt | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Build_basics.txt b/doc/src/Build_basics.txt
index 4b3a347bf1..b3ff0a55c5 100644
--- a/doc/src/Build_basics.txt
+++ b/doc/src/Build_basics.txt
@@ -137,9 +137,9 @@ simply loading the appropriate module before building LAMMPS.
 -D CMAKE_C_COMPILER=name              # name of C compiler
 -D CMAKE_Fortran_COMPILER=name        # name of Fortran compiler :pre
 
--D CMAKE_CXX_FlAGS=string             # flags to use with C++ compiler
--D CMAKE_C_FlAGS=string               # flags to use with C compiler
--D CMAKE_Fortran_FlAGS=string         # flags to use with Fortran compiler :pre
+-D CMAKE_CXX_FLAGS=string             # flags to use with C++ compiler
+-D CMAKE_C_FLAGS=string               # flags to use with C compiler
+-D CMAKE_Fortran_FLAGS=string         # flags to use with Fortran compiler :pre
 
 By default CMake will use a compiler it finds and it will add
 optimization flags appropriate to that compiler and any "accelerator

From 7a4f534676d4cf5fbd5f6559fda27dc5b5f704ae Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Nov 2018 08:03:41 -0500
Subject: [PATCH 085/273] replace non-ASCII character

---
 doc/src/compute_ptm_atom.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/compute_ptm_atom.txt b/doc/src/compute_ptm_atom.txt
index 2e22e4e9fb..8f79fe502b 100644
--- a/doc/src/compute_ptm_atom.txt
+++ b/doc/src/compute_ptm_atom.txt
@@ -117,5 +117,5 @@ package"_Build_package.html doc page for more info.
 :line
 
 :link(Larsen)
-[(Larsen)] Larsen, Schmidt, Schiøtz, Modelling Simul Mater Sci Eng, 24, 055007 (2016).
+[(Larsen)] Larsen, Schmidt, Schiotz, Modelling Simul Mater Sci Eng, 24, 055007 (2016).
 

From f68d77c7aff34c3f72693862589945afcd45f5ac Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Nov 2018 08:03:58 -0500
Subject: [PATCH 086/273] correct formatting

---
 doc/src/fix_bond_react.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index e88bd198f3..55a5785f7f 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -41,7 +41,7 @@ react = mandatory argument indicating new reaction specification :l
       fraction = initiate reaction with this probability if otherwise eligible
       seed = random number seed (positive integer)
     {stabilize_steps} value = timesteps
-      timesteps = number of timesteps to apply internally created nve/limit.html
+      timesteps = number of timesteps to apply internally created nve/limit fix :pre
     {update_edges} value = {none} or {charges} :l
       none = do not update topology near the edges of reaction templates
       charges = update atomic charges of all atoms in reaction templates

From 86d1304176c4e6b501a39887e5c5aa76771341eb Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Sat, 10 Nov 2018 18:58:53 -0700
Subject: [PATCH 087/273] cmake: update doc aobut executables

---
 cmake/README.md | 15 +++++++++------
 1 file changed, 9 insertions(+), 6 deletions(-)

diff --git a/cmake/README.md b/cmake/README.md
index 21e728c1f0..b9020bf4a9 100644
--- a/cmake/README.md
+++ b/cmake/README.md
@@ -1492,6 +1492,11 @@ target API.
   </dl>
   </td>
 </tr>
+<tr>
+  <td><code>BIN2C</code> (CUDA only)</td>
+  <td>Path to bin2c executable</td>
+  <td>1st in path (if found)</td>
+</tr>
 </tbody>
 </table>
 
@@ -1647,9 +1652,8 @@ requires `gzip` to be in your `PATH`
 </tr>
 <tr>
   <td><code>GZIP_EXECUTABLE</code></td>
-  <td></td>
-  <td>
-  </td>
+  <td>path to gzip executable</td>
+  <td>1st in path (if found)</td>
 </tr>
 </tbody>
 </table>
@@ -1679,9 +1683,8 @@ requires `ffmpeg` to be in your `PATH`
 </tr>
 <tr>
   <td><code>FFMPEG_EXECUTABLE</code></td>
-  <td></td>
-  <td>
-  </td>
+  <td>path to ffmpeg executable</td>
+  <td>1st in path (if found)</td>
 </tr>
 </tbody>
 </table>

From fbd610b8a9573bc6ed360ec599a4196c84a109eb Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 10 Oct 2018 13:39:44 -0600
Subject: [PATCH 088/273] global/local hyperdynamics src and doc files

---
 doc/fix_hyper_global.txt         |  146 +++
 doc/fix_hyper_local.txt          |  200 ++++
 doc/hyper.txt                    |  117 +++
 src/REPLICA/fix_event_hyper.cpp  |   95 ++
 src/REPLICA/fix_event_hyper.h    |   60 ++
 src/REPLICA/fix_hyper.cpp        |   35 +
 src/REPLICA/fix_hyper.h          |   43 +
 src/REPLICA/fix_hyper_global.cpp |  497 +++++++++
 src/REPLICA/fix_hyper_global.h   |  110 ++
 src/REPLICA/fix_hyper_local.cpp  | 1610 ++++++++++++++++++++++++++++++
 src/REPLICA/fix_hyper_local.h    |  175 ++++
 src/REPLICA/hyper.cpp            |  548 ++++++++++
 src/REPLICA/hyper.h              |   65 ++
 13 files changed, 3701 insertions(+)
 create mode 100644 doc/fix_hyper_global.txt
 create mode 100644 doc/fix_hyper_local.txt
 create mode 100644 doc/hyper.txt
 create mode 100644 src/REPLICA/fix_event_hyper.cpp
 create mode 100644 src/REPLICA/fix_event_hyper.h
 create mode 100644 src/REPLICA/fix_hyper.cpp
 create mode 100644 src/REPLICA/fix_hyper.h
 create mode 100644 src/REPLICA/fix_hyper_global.cpp
 create mode 100644 src/REPLICA/fix_hyper_global.h
 create mode 100644 src/REPLICA/fix_hyper_local.cpp
 create mode 100644 src/REPLICA/fix_hyper_local.h
 create mode 100644 src/REPLICA/hyper.cpp
 create mode 100644 src/REPLICA/hyper.h

diff --git a/doc/fix_hyper_global.txt b/doc/fix_hyper_global.txt
new file mode 100644
index 0000000000..c841f0b891
--- /dev/null
+++ b/doc/fix_hyper_global.txt
@@ -0,0 +1,146 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+fix hyper/global command :h3
+
+[Syntax:]
+
+fix ID group-ID hyper/global cutbond qfactor Vmax Tequil :pre
+
+ID, group-ID are documented in "fix"_fix.html command
+hyper/global = style name of this fix command
+cutbond = max distance at which a pair of atoms is considered bonded (distance units)
+qfactor = max strain at which bias potential goes to 0.0 (unitless)
+Vmax = height of bias potential (energy units)
+Tequil = equilibration temperature (temperature units) :ul
+
+[Examples:]
+
+fix 1 all hyper/global 1.0 0.3 0.8 300.0 :pre
+
+[Description:]
+
+This fix is meant to be used with the "hyper"_hyper.html command to
+perform a bond-boost hyperdynamics simulation.  The role of this fix
+is a select a single pair of atoms within the system at each timestep
+to add a global bias potential to, which will alter their dynamics.
+This is in contrast to the "fix hyper/local"_fix_hyper_local.html
+command, which can add a local bias potential to multiple pairs of
+atoms at each timestep.
+
+For a system that undergoes rare transition events, where one or more
+atoms move across an energy barrier to a new potential energy basin,
+the effect of the bias potential is to induce more rapid transitions.
+This can lead to a dramatic speed-up in the rate at which events
+occurs, without altering their relative frequencies, thus leading to
+an overall dramatic speed-up in the effective elapsed time of the
+simulation.
+
+Cite various papers.
+
+The current strain of a bond IJ is defined as
+
+Eij = (Rij - R0ij) / R0ij :pre
+
+Emax = is the max of the absolute value of Eij for all IJ bonds.
+
+dVij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < q
+     = 0  otherwise :pre
+
+Delta Vbias = minimum of dVij for all IJ bonds :pre
+
+The boost factor B = exp(beta * Delta Vbias)
+for a single timestep.
+
+Thus the accumulated hypertime is simply
+
+t_hyper = Sum (i = 1 to Nsteps) Bi * dt :pre
+
+The {cutbond} argument is the cutoff distance for defining bonds
+between pairs of nearby atoms.  A pair of atoms in their equilibrium,
+minimum-energy config, which are a distance Rij < cutbond, are
+defined as a bonded pair.
+
+The {qfactor} argument is the limiting strain at which
+the Vbias (the bias potential) goes to 0.0.
+
+If {qfactor} is too big, then transitions are affected b/c
+the bias energy is non-zero at the transitions.  If it is
+too small than not must boost is achieved for a large system
+with many bonds (some bonds Eij always exceeds qfactor).
+
+The {Vmax} argument is the prefactor on the bias potential.
+
+The {Tequil} argument is part of the beta term in the
+exponential factor that determines how much boost is
+achieved as a function of the bias potential.
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about this fix is written to "binary restart
+files"_restart.html.
+
+The "fix_modify"_fix_modify.html {energy} option is supported by this
+fix to add the energy of the bias potential to the the system's
+potential energy as part of "thermodynamic output"_thermo_style.html.
+
+This fix computes a global scalar and global vector of length 10,
+which can be accessed by various "output
+commands"_Section_howto.html#howto_15.  The scalar is the magnitude of
+the bias potential (energy units) applied on the current timestep.
+The vector stores the following quantities:
+
+1 = boost factor on this step (unitless)
+2 = max strain of any bond on this step (unitless)
+3 = ID of first atom in the max-strain bond
+4 = ID of second atom in the max-strain bond
+5 = average # of bonds/atom on this step :ul
+
+6 = fraction of step with no bias during this run
+7 = max drift distance of any atom during this run (distance units)
+8 = max bond length during this run (distance units) :ul
+
+9 = cummulative hyper time since fix created (time units)
+10 = cummulative count of event timesteps since fix created
+11 = cummulative count of atoms in events since fix created :ul
+
+The first 5 quantities are for the current timestep.  The quantities
+6-8 are for the current run.  The quantities 9-11 are cummulative
+across multiple runs (since the fix was defined in the input script).
+
+For value 10, events are checked for by the "hyper"_hyper.html command
+once every {Nevent} timesteps.  This value is the count of the number
+of timesteps on which one (or more) events was detected.  It is NOT
+the number of distinct events, since more than one physical event may
+occur in the same {Nevent} time window.
+
+For value 11, each time the "hyper"_hyper.html command checks for an
+event, the event compute it uses will flag zero or more atoms as
+participating in an event.  E.g. atoms that have displaced more than
+some distance from the previous quench state.  This value is the count
+of the number of atoms participating in any of the events that were
+found.
+
+The scalar and vector values calculated by this fix are all
+"intensive".
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.  This fix is not invoked during "energy
+minimization"_minimize.html.
+
+[Restrictions:]
+
+This fix is part of the REPLICA package.  It is only enabled if LAMMPS
+was built with that package.  See the "Making
+LAMMPS"_Section_start.html#start_3 section for more info.
+
+[Related commands:]
+
+"fix hyper/local"_fix_hyper_local.html
+
+[Default:] None
diff --git a/doc/fix_hyper_local.txt b/doc/fix_hyper_local.txt
new file mode 100644
index 0000000000..ef98637fa5
--- /dev/null
+++ b/doc/fix_hyper_local.txt
@@ -0,0 +1,200 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+fix hyper/local command :h3
+
+[Syntax:]
+
+fix ID group-ID hyper/local cutbond qfactor Vmax Tequil Dcut alpha boost :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+hyper/local = style name of this fix command :l
+cutbond = max distance at which a pair of atoms is considered bonded (distance units) :l
+qfactor = max strain at which bias potential goes to 0.0 (unitless) :l
+Vmax = estimated height of bias potential (energy units) :l
+Tequil = equilibration temperature (temperature units) :l
+Dcut = min distance between boosted bonds (distance units) :l
+alpha = boostostat relaxation time (time units) :l
+boost = desired time boost factor (unitless) :l
+zero or more keyword/value pairs may be appended :l
+keyword = {histo} or {lost} or {check/bias} or {check/coeff}
+  {histo} values = Nevery Nbin delta Nout
+    Nevery = histogram bond bias coefficients every this many timesteps
+    Nbin = # of histogram bins
+    delta = width of each histogram bin
+    Nout = output histogram counts every this many timesteps
+  {lostbond} value = error/warn/ignore
+  {check/bias} values = Nevery error/warn/ignore
+  {check/coeff} values = Nevery error/warn/ignore :pre
+:ule
+
+[Examples:]
+
+fix 1 all hyper/local 1.0 0.3 0.8 300.0 :pre
+
+[Description:]
+
+This fix is meant to be used with the "hyper"_hyper.html command to
+perform a bond-boost hyperdynamics simulation.  The role of this fix
+is a select a multiple pairs of atoms within the system at each
+timestep to add a local bias potential to, which will alter their
+dynamics.  This is in contrast to the "fix
+hyper/global"_fix_hyper_global.html command, which adds a global bias
+potential to a single pair of atoms at each timestep.
+
+For a system that undergoes rare transition events, where one or more
+atoms move across an energy barrier to a new potential energy basin,
+the effect of the bias potential is to induce more rapid transitions.
+This can lead to a dramatic speed-up in the rate at which events
+occurs, without altering their relative frequencies, thus leading to
+an overall dramatic speed-up in the effective wall-clock time of the
+simulation.
+
+Cite various papers.
+
+The current strain of a bond IJ is defined as
+
+Eij = (Rij - R0ij) / R0ij
+
+Emax = is the max of the absolute value of Eij for all IJ bonds.
+
+dVij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < q
+     = 0  otherwise
+
+Delta Vbias = minimum of dVij for all IJ bonds
+
+The boost factor B = exp(beta * Delta Vbias)
+for a single timestep.
+
+Thus the accumulated hypertime is simply
+
+t_hyper = Sum (i = 1 to Nsteps) Bi * dt
+
+NOTE: Add eqs for boostostat and boost coeff.
+Explain how many bonds are boosted simultaneously
+and how to choose boost factor and initial Vmax.
+
+The {cutbond} argument is the cutoff distance for defining bonds
+between pairs of nearby atoms.  A pair of atoms in their equilibrium,
+minimum-energy config, which are a distance Rij < cutbond, are
+defined as a bonded pair.
+
+The {qfactor} argument is the limiting strain at which
+the Vbias (the bias potential) goes to 0.0.
+
+If qfactor is too big, then transitions are affected b/c
+the bias energy is non-zero at the transitions.  If it is
+too small than not must boost is achieved for a large system
+with many bonds (some bonds Eij always exceeds qfactor).
+
+The {Vmax} argument is the initial prefactor on the bias potential.
+Should be chosen as estimate of final.  Will be adjusted by
+boost cooeficient
+
+The {Tequil} argument is part of the beta term in the
+exponential factor that determines how much boost is
+achieved as a function of the bias potential.
+
+The {Dcut} argument is the distance required between two bonds for
+them to be selected as both being boosted.  The distance is between
+the center points of each bond.  Actually between any pair of atoms in
+either bond.
+
+The {alpha} argument is a pre-factor on the update equation
+for each atom's boostostat:
+
+NOTE: give equation above
+
+Note that the units for {alpha} are in time units, similar
+to other thermostat or barostat damping parameters
+
+The {boost} argument is the desired boost factor (e.g. 100x)
+that all the atoms in the system will experience.  
+
+NOTE: explain how to choose good value for this.  If this parameter is
+chosen to be too large, then the bias potential applied to pairs of
+bonded atoms may become unphysically large, leading to bad dynamics.
+If chosen too small, the hyperdynamics run may be inefficient in the
+sense that events take a long time to occur.
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about this fix is written to "binary restart
+files"_restart.html.
+
+The "fix_modify"_fix_modify.html {energy} option is supported by this
+fix to add the energy of the bias potential to the the system's
+potential energy as part of "thermodynamic output"_thermo_style.html.
+
+This fix computes a global scalar and global vector of length 23,
+which can be accessed by various "output
+commands"_Section_howto.html#howto_15.  The scalar is the magnitude of
+the bias potential (energy units) applied on the current timestep,
+summed over all biased bonds.  The vector stores the following
+quantities:
+
+1 = # of boosted bonds on this step
+2 = max strain of any bond on this step (unitless)
+3 = average bias potential for all bonds on this step (energy units)
+4 = average bonds/atom on this step
+5 = average neighbor bonds/bond on this step :ul
+
+6 = fraction of steps and bonds with no bias during this run
+7 = max drift distance of any atom during this run (distance units)
+8 = max bond length during this run (distance units)
+9 = average # of boosted bonds/step during this run
+10 = average bias potential for all bonds during this run (energy units)
+11 = max bias potential for any bond during this run (energy units)
+12 = min bias potential for any bond during this run (energy units)
+13 = max distance from my box of any ghost atom with maxstrain < qfactor during th
+is run (distance units)
+14 = max distance outside my box of any ghost atom with any maxstrain during this run (distance units)
+15 = count of ghost neighbor atoms not found on reneighbor steps during this run
+16 = count of lost bond partners during this run
+17 = average bias coeff for lost bond partners during this run
+18 = count of bias overlaps found during this run
+19 = count of non-matching bias coefficients found during this run :ul
+
+20 = cummulative hyper time since fix created (time units)
+21 = cummulative count of event timesteps since fix created
+22 = cummulative count of atoms in events since fix created
+23 = cummulative # of new bonds since fix created :ul
+
+The first quantities (1-5) are for the current timestep.  The
+quantities 6-19 are for the current hyper run.  They are reset each
+time a new hyper run is performed.  The quantities 20-23 are
+cummulative across multiple hyper runs,  They are only set to initial
+values once, when this fix is defined in the input script.
+
+For value 6, the numerator is a count of all biased bonds on every
+timestep whose bias value = 0.0.  The denominator is the count of all
+biased bonds on all timesteps.
+
+For values 13 and 14, the maxstrain of a ghost atom is the maxstrain
+of any bond it is part of, and it is checked for ghost atoms within
+the bond neighbor cutoff.
+
+The scalar and vector values calculated by this fix are all
+"intensive".
+
+No parameter of this fix can be used with the {start/stop} keywords of
+the "run"_run.html command.  This fix is not invoked during "energy
+minimization"_minimize.html.
+
+[Restrictions:]
+
+This fix is part of the REPLICA package.  It is only enabled if LAMMPS
+was built with that package.  See the "Making
+LAMMPS"_Section_start.html#start_3 section for more info.
+
+[Related commands:]
+
+"hyper"_hyper.html, "fix hyper/global"_fix_hyper_global.html
+
+[Default:] None
+
diff --git a/doc/hyper.txt b/doc/hyper.txt
new file mode 100644
index 0000000000..966d33a30f
--- /dev/null
+++ b/doc/hyper.txt
@@ -0,0 +1,117 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+hyper command :h3
+
+[Syntax:]
+
+hyper N Nevent fixID computeID keyword values ... :pre
+
+N = # of timesteps to run :ulb,l
+Nevent = check for events every this many steps :l
+fixID = ID of a fix that applies a global or local bias potential :l
+computeID = ID of a compute that identifies when an event has occurred :l
+zero or more keyword/value pairs may be appended :l
+keyword = {min} or {time} :l
+  {min} values = etol ftol maxiter maxeval
+    etol = stopping tolerance for energy, used in quenching
+    ftol = stopping tolerance for force, used in quenching
+    maxiter = max iterations of minimize, used in quenching
+    maxeval = max number of force/energy evaluations, used in quenching
+  {time} value = {steps} or {clock}
+    {steps} = simulation runs for N timesteps (default)
+    {clock} = simulation runs until hyper time exceeds N timesteps :pre
+:ule
+
+[Examples:]
+
+hyper 5000 100 global event :pre
+
+[Description:]
+
+Run a bond-boost hyperdynamics (HD) simulation where time is
+accelerated by application of a bias potential to a one or more pairs
+of atoms in the system.  This command can be used to run both global
+and local hyperdyamics.  In global HD a single bond (nearby pair of
+atoms) within the system is biased on a given timestep.  In local HD
+multiple bonds (separated by a sufficient distance) can be biased
+simultaneously at each timestep.
+
+Make next paragraph more HD-specific.
+
+Both global and local HD are described in "this paper"_#Voter2013 by
+Art Voter and collaborators.  They are methods for performing
+accelerated dynamics that is suitable for infrequent-event systems
+that obey first-order kinetics.  A good overview of accelerated
+dynamics methods for such systems in given in "this review
+paper"_#Voter2002prd from the same group.  To quote from the paper:
+"The dynamical evolution is characterized by vibrational excursions
+within a potential basin, punctuated by occasional transitions between
+basins."  The transition probability is characterized by p(t) =
+k*exp(-kt) where k is the rate constant.  Running multiple replicas
+gives an effective enhancement in the timescale spanned by the
+multiple simulations, while waiting for an event to occur.
+
+How different than PRD.
+
+An HD run has several stages, which are repeated each time an "event"
+occurs, as defined below.  The logic for a HD run is as follows:
+
+quench
+reset list of bonds :pre
+
+while (time remains):
+  run dynamics for Nevery steps
+  quench
+  check for an event
+  if event occurred: reset list of bonds
+  restore pre-quench state :pre
+
+Explain each of the steps above.  Explain what list of bonds is and
+how event is detected.
+
+Explain the specified fix and compute.
+
+Statistics about the number of events, the number of bonds that a bias
+potential is applied to, the accumulated hyper time, etc are stored by
+the fix and can be output with thermodynamic output.
+
+:line
+
+[Restrictions:]
+
+This command can only be used if LAMMPS was built with the REPLICA
+package.  See the "Making LAMMPS"_Section_start.html#start_3 section
+for more info on packages.
+
+NOTE: is this true?
+This command cannot be used when any fixes are defined that keep track
+of elapsed time to perform time-dependent operations.  Examples
+include the "ave" fixes such as "fix ave/chunk"_fix_ave_chunk.html.
+Also "fix dt/reset"_fix_dt_reset.html and "fix
+deposit"_fix_deposit.html.
+
+[Related commands:]
+
+"fix hyper/global"_fix_hyper_global.html, "fix
+hyper/local"_fix_hyper_local.html, "compute
+event/displace"_compute_event_displace.html
+
+[Default:]
+
+The option defaults are min = 0.1 0.1 40 50 and time = steps.
+
+:line
+
+:link(Voter2013)
+[(Voter2013)] S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139,
+144110 (2013).
+
+:link(Voter2002prd)
+[(Voter2002)] Voter, Montalenti, Germann, Annual Review of Materials
+Research 32, 321 (2002).
diff --git a/src/REPLICA/fix_event_hyper.cpp b/src/REPLICA/fix_event_hyper.cpp
new file mode 100644
index 0000000000..7dd306c735
--- /dev/null
+++ b/src/REPLICA/fix_event_hyper.cpp
@@ -0,0 +1,95 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include <stdlib.h>
+#include <string.h>
+#include "fix_event_hyper.h"
+#include "atom.h"
+#include "update.h"
+#include "domain.h"
+#include "neighbor.h"
+#include "comm.h"
+#include "universe.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+/* ---------------------------------------------------------------------- */
+
+FixEventHyper::FixEventHyper(LAMMPS *lmp, int narg, char **arg) :
+  FixEvent(lmp, narg, arg)
+{
+  if (narg != 3) error->all(FLERR,"Illegal fix event command");
+
+  restart_global = 1;
+
+  event_number = 0;
+  event_timestep = update->ntimestep;
+  clock = 0;
+}
+
+/* ----------------------------------------------------------------------
+   save current atom coords as an event (via call to base class)
+   called when an event occurs in some replica
+   set event_timestep = when event occurred in a particular replica
+   update clock = elapsed time since last event, across all replicas
+------------------------------------------------------------------------- */
+
+void FixEventHyper::store_event_hyper(bigint ntimestep, int delta_clock)
+{
+  store_event();
+  event_timestep = ntimestep;
+  clock += delta_clock;
+  event_number++;
+}
+
+/* ----------------------------------------------------------------------
+   pack entire state of Fix into one write
+------------------------------------------------------------------------- */
+
+void FixEventHyper::write_restart(FILE *fp)
+{
+  int n = 0;
+  double list[6];
+  list[n++] = event_number;
+  list[n++] = event_timestep;
+  list[n++] = clock;
+  list[n++] = replica_number;
+  list[n++] = correlated_event;
+  list[n++] = ncoincident;
+
+  if (comm->me == 0) {
+    int size = n * sizeof(double);
+    fwrite(&size,sizeof(int),1,fp);
+    fwrite(list,sizeof(double),n,fp);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   use state info from restart file to restart the Fix
+------------------------------------------------------------------------- */
+
+void FixEventHyper::restart(char *buf)
+{
+  int n = 0;
+  double *list = (double *) buf;
+
+  event_number = static_cast<int> (list[n++]);
+  event_timestep = static_cast<bigint> (list[n++]);
+  clock = static_cast<bigint> (list[n++]);
+  replica_number = static_cast<int> (list[n++]);
+  correlated_event = static_cast<int> (list[n++]);
+  ncoincident = static_cast<int> (list[n++]);
+}
diff --git a/src/REPLICA/fix_event_hyper.h b/src/REPLICA/fix_event_hyper.h
new file mode 100644
index 0000000000..4c5d4a93ee
--- /dev/null
+++ b/src/REPLICA/fix_event_hyper.h
@@ -0,0 +1,60 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(EVENT/HYPER,FixEventHyper)
+
+#else
+
+#ifndef LMP_FIX_EVENT_HYPER_H
+#define LMP_FIX_EVENT_HYPER_H
+
+#include "fix_event.h"
+
+namespace LAMMPS_NS {
+
+class FixEventHyper : public FixEvent {
+ public:
+  int event_number;      // event counter
+  bigint event_timestep; // timestep of last event on any replica
+  bigint clock;          // total elapsed timesteps across all replicas
+  int replica_number;    // replica where last event occured
+  int correlated_event;  // 1 if last event was correlated, 0 otherwise
+  int ncoincident;       // # of simultaneous events on different replicas
+
+  FixEventHyper(class LAMMPS *, int, char **);
+  ~FixEventHyper() {}
+
+  void write_restart(FILE *);
+  void restart(char *);
+
+  // methods specific to FixEventHyper, invoked by hyper
+
+  void store_event_hyper(bigint, int);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+*/
diff --git a/src/REPLICA/fix_hyper.cpp b/src/REPLICA/fix_hyper.cpp
new file mode 100644
index 0000000000..9f01d9542c
--- /dev/null
+++ b/src/REPLICA/fix_hyper.cpp
@@ -0,0 +1,35 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include <string.h>
+#include "fix_hyper.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+FixHyper::FixHyper(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) {}
+
+/* ----------------------------------------------------------------------
+   extract hyper flag setting for all Fixes that perform hyperdynamics
+------------------------------------------------------------------------- */
+
+void *FixHyper::extract(const char *str, int &dim)
+{
+  dim = 0;
+  if (strcmp(str,"hyperflag") == 0) {
+    return &hyperflag;
+  }
+  return NULL;
+}
+
diff --git a/src/REPLICA/fix_hyper.h b/src/REPLICA/fix_hyper.h
new file mode 100644
index 0000000000..7cb6cadf8f
--- /dev/null
+++ b/src/REPLICA/fix_hyper.h
@@ -0,0 +1,43 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifndef LMP_FIX_HYPER_H
+#define LMP_FIX_HYPER_H
+
+#include "fix.h"
+
+namespace LAMMPS_NS {
+
+class FixHyper : public Fix {
+ public:
+  FixHyper(class LAMMPS *, int, char **);
+  virtual ~FixHyper() {}
+  void *extract(const char *, int &);
+
+  // must be provided by child class
+
+  virtual void init_hyper() = 0;
+  virtual void build_bond_list(int) = 0;
+  virtual double query(int) = 0;
+
+ protected:
+  int hyperflag;
+};
+
+}
+
+#endif
+
+/* ERROR/WARNING messages:
+
+*/
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
new file mode 100644
index 0000000000..ba45e47407
--- /dev/null
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -0,0 +1,497 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <math.h>
+#include <stdio.h>
+#include <string.h>
+#include "fix_hyper_global.h"
+#include "atom.h"
+#include "update.h"
+#include "force.h"
+#include "domain.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "neigh_request.h"
+#include "neigh_list.h"
+#include "modify.h"
+#include "math_extra.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+#define DELTA 16384
+#define VECLEN 5
+
+/* ---------------------------------------------------------------------- */
+
+FixHyperGlobal::FixHyperGlobal(LAMMPS *lmp, int narg, char **arg) :
+  FixHyper(lmp, narg, arg)
+{
+  // NOTE: add NULL declarations
+  // NOTE: count/output # of timesteps on which bias is non-zero
+  // NOTE: require newton on?
+
+  if (atom->map_style == 0) 
+    error->all(FLERR,"Fix hyper/global command requires atom map");
+
+  if (narg != 7) error->all(FLERR,"Illegal fix hyper/global command");
+
+  hyperflag = 1;
+  scalar_flag = 1;
+  vector_flag = 1;
+  size_vector = 11;
+  global_freq = 1;
+  extscalar = 0;
+  extvector = 0;
+
+  cutbond = force->numeric(FLERR,arg[3]);
+  qfactor = force->numeric(FLERR,arg[4]);
+  vmax = force->numeric(FLERR,arg[5]);
+  tequil = force->numeric(FLERR,arg[6]);
+
+  if (cutbond < 0.0 || qfactor <= 0.0 || vmax < 0.0 || tequil <= 0.0)
+    error->all(FLERR,"Illegal fix hyper/global command");
+
+  invqfactorsq = 1.0 / (qfactor*qfactor);
+  cutbondsq = cutbond*cutbond;
+  beta = 1.0 / (force->boltz * tequil);
+
+  maxbond = 0;
+  nblocal = 0;
+  blist = NULL;
+
+  maxold = 0;
+  xold = NULL;
+  tagold = NULL;
+
+  me = comm->me;
+  firstflag = 1;
+  bcastflag = 0;
+  for (int i = 0; i < VECLEN; i++) outvec[i] = 0.0;
+
+  nevent = 0;
+  nevent_atom = 0;
+  t_hyper = 0.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixHyperGlobal::~FixHyperGlobal()
+{
+  memory->sfree(blist);
+  memory->destroy(xold);
+  memory->destroy(tagold);
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixHyperGlobal::setmask()
+{
+  int mask = 0;
+  mask |= PRE_NEIGHBOR;
+  mask |= PRE_FORCE;
+  mask |= PRE_REVERSE;
+  mask |= THERMO_ENERGY;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::init_hyper()
+{
+  maxdriftsq = 0.0;
+  maxbondlen = 0.0;
+  nobias = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::init()
+{
+  dt = update->dt;
+
+  // need an occasional half neighbor list
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->pair = 0;
+  neighbor->requests[irequest]->fix = 1;
+  neighbor->requests[irequest]->occasional = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::init_list(int id, NeighList *ptr)
+{
+  list = ptr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::setup_pre_neighbor()
+{
+  pre_neighbor();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::setup_pre_reverse(int eflag, int vflag)
+{
+  // no increment in nobias or hyper time when pre-run forces are calculated
+
+  int nobias_hold = nobias;
+  double t_hyper_hold = t_hyper;
+
+  pre_reverse(eflag,vflag);
+
+  nobias = nobias_hold;
+  t_hyper = t_hyper_hold;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::pre_neighbor()
+{
+  int i,m,jnum,iold,jold,ilocal,jlocal;
+  double distsq;
+
+  // reset local IDs for owned bond atoms, since atoms have migrated
+  // uses xold and tagold from when bonds were created
+  // must be done after ghost atoms are setup via comm->borders()
+
+  double **x = atom->x;
+
+  int flag = 0;
+
+  for (m = 0; m < nblocal; m++) {
+    iold = blist[m].iold;
+    jold = blist[m].jold;
+    ilocal = atom->map(tagold[iold]);
+    jlocal = atom->map(tagold[jold]);
+    ilocal = domain->closest_image(xold[iold],ilocal);
+    jlocal = domain->closest_image(xold[iold],jlocal);
+    blist[m].i = ilocal;
+    blist[m].j = jlocal;
+
+    if (ilocal < 0 || jlocal < 0) flag++;
+    else {
+      distsq = MathExtra::distsq3(x[ilocal],xold[iold]);
+      maxdriftsq = MAX(distsq,maxdriftsq);
+    }
+  }
+
+  if (flag) error->one(FLERR,"Fix hyper/global bond atom not found");
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::pre_reverse(int eflag, int vflag)
+{
+  int i,j,m,imax,jmax;
+  double xtmp,ytmp,ztmp,delx,dely,delz;
+  double r,r0,estrain,rmax,r0max,emax,dt_boost;
+  double vbias,fbias,fbiasr;
+
+  // compute current strain of each owned bond
+  // emax = maximum strain of any bond I own
+  // imax,jmax = local indices of my 2 atoms in that bond
+
+  double **x = atom->x;
+  emax = 0.0;
+
+  for (m = 0; m < nblocal; m++) {
+    i = blist[m].i;
+    j = blist[m].j;
+    delx = x[i][0] - x[j][0];
+    dely = x[i][1] - x[j][1];
+    delz = x[i][2] - x[j][2];
+    r = sqrt(delx*delx + dely*dely + delz*delz);
+    maxbondlen = MAX(r,maxbondlen);
+    r0 = blist[m].r0;
+    estrain = fabs(r-r0) / r0;
+
+    if (estrain > emax) {
+      emax = estrain;
+      rmax = r;
+      r0max = r0;
+      imax = i;
+      jmax = j;
+    }
+  }
+
+  // perform Allreduce() on pairme = double/int pair
+  // finds max strain and what proc owns it
+  // owner = proc that owns that bond
+
+  pairme.value = emax;
+  pairme.proc = me;
+  MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MAXLOC,world);
+  owner = pairall.proc;
+
+  bcastflag = 1;
+
+  // all procs acquire t_hyper from owner proc
+  // MPI_Bcast call by owner proc is below
+
+  for (int i = 0; i < VECLEN; i++) outvec[i] = 0.0;
+
+  if (owner != me) {
+    MPI_Bcast(&t_hyper,1,MPI_DOUBLE,owner,world);
+    return;
+  }
+
+  // I own the bond with max strain
+  // compute Vbias and apply force to atoms imax,jmax
+  // NOTE: logic would need to be different for newton off
+
+  double **f = atom->f;
+
+  vbias = fbias = 0.0;
+  dt_boost = 1.0;
+
+  if (emax < qfactor) {
+    vbias = vmax * (1.0 - emax*emax*invqfactorsq);
+    fbias = 2.0 * vmax * emax / (qfactor*qfactor * r0max);
+    dt_boost = exp(beta*vbias);
+
+    delx = x[imax][0] - x[jmax][0];
+    dely = x[imax][1] - x[jmax][1];
+    delz = x[imax][2] - x[jmax][2];
+
+    fbiasr = fbias / rmax;
+    f[imax][0] += delx*fbiasr;
+    f[imax][1] += dely*fbiasr;
+    f[imax][2] += delz*fbiasr;
+
+    f[jmax][0] -= delx*fbiasr;
+    f[jmax][1] -= dely*fbiasr;
+    f[jmax][2] -= delz*fbiasr;
+  } else nobias++;
+
+  // NOTE: should there be a virial contribution from boosted bond?
+
+  // output quantities
+
+  outvec[0] = vbias;
+  outvec[1] = dt_boost;
+  outvec[2] = emax;
+  outvec[3] = atom->tag[imax];
+  outvec[4] = atom->tag[jmax];
+
+  t_hyper += dt_boost*dt;
+  MPI_Bcast(&t_hyper,1,MPI_DOUBLE,owner,world);
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperGlobal::build_bond_list(int natom)
+{
+  int i,j,n,ii,jj,inum,jnum;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  tagint *bptr;
+  double *rptr;
+
+  if (natom) {
+    nevent++;
+    nevent_atom += natom;
+  }
+
+  // trigger neighbor list build
+
+  neighbor->build_one(list);
+
+  // identify bonds assigned to each owned atom
+  // do not create a bond between two non-group atoms
+
+  double **x = atom->x;
+  int *mask = atom->mask;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  nblocal = 0;
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      // skip if neither atom I or J are in fix group
+
+      if (!(mask[i] & groupbit) && !(mask[j] & groupbit)) continue;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq < cutbondsq) {
+        if (nblocal == maxbond) grow_bond();
+        blist[nblocal].i = i;
+        blist[nblocal].j = j;
+        blist[nblocal].iold = i;
+        blist[nblocal].jold = j;
+        blist[nblocal].r0 = sqrt(rsq);
+        nblocal++;
+      }
+    }
+  }
+
+  // store IDs and coords for owned+ghost atoms at time of bond creation
+  // realloc xold and tagold as needed
+
+  if (atom->nmax > maxold) {
+    memory->destroy(xold);
+    memory->destroy(tagold);
+    maxold = atom->nmax;
+    memory->create(xold,maxold,3,"hyper/global:xold");
+    memory->create(tagold,maxold,"hyper/global:tagold");
+  }
+
+  tagint *tag = atom->tag;
+  int nall = atom->nlocal + atom->nghost;
+
+  for (i = 0; i < nall; i++) {
+    xold[i][0] = x[i][0];
+    xold[i][1] = x[i][1];
+    xold[i][2] = x[i][2];
+    tagold[i] = tag[i];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   grow bond list by a chunk
+------------------------------------------------------------------------- */
+
+void FixHyperGlobal::grow_bond()
+{
+  // NOTE: could add int arg to do initial large alloc:
+  // maxbond = maxbond/DELTA * DELTA; maxbond += DELTA;
+
+  maxbond += DELTA;
+  if (maxbond < 0 || maxbond > MAXSMALLINT)
+    error->one(FLERR,"Fix hyper/local per-processor bond count is too big");
+  blist = (OneBond *) 
+    memory->srealloc(blist,maxbond*sizeof(OneBond),"hyper/local:blist");
+}
+
+/* ---------------------------------------------------------------------- */
+
+double FixHyperGlobal::compute_scalar()
+{
+  if (bcastflag) {
+    MPI_Bcast(outvec,VECLEN,MPI_DOUBLE,owner,world);
+    bcastflag = 0;
+  }
+  return outvec[0];
+}
+
+/* ---------------------------------------------------------------------- */
+
+double FixHyperGlobal::compute_vector(int i)
+{
+  if (bcastflag) {
+    MPI_Bcast(outvec,VECLEN,MPI_DOUBLE,owner,world);
+    bcastflag = 0;
+  }
+
+  // 11 vector outputs returned for i = 0-10
+
+  // i = 0 = boost factor on this step
+  // i = 1 = max strain of any bond on this step
+  // i = 2 = ID of atom I in max-strain bond on this step
+  // i = 3 = ID of atom J in max-strain bond on this step
+  // i = 4 = ave bonds/atom on this step
+
+  // i = 5 = fraction of steps with no bias during this run
+  // i = 6 = max drift of any atom during this run
+  // i = 7 = max bond length during this run
+
+  // i = 8 = cummulative hyper time since fix created
+  // i = 9 = cummulative # of event timesteps since fix created 
+  // i = 10 = cummulative # of atoms in events since fix created
+
+  if (i == 0) return outvec[1];
+  if (i == 1) return outvec[2];
+  if (i == 2) return outvec[3];
+  if (i == 3) return outvec[4];
+
+  if (i == 4) {
+    int allbonds;     // NOTE: bigint?
+    MPI_Allreduce(&nblocal,&allbonds,1,MPI_INT,MPI_SUM,world);
+    return 2.0*allbonds/atom->natoms;
+  }
+
+  if (i == 5) {
+    if (update->ntimestep == update->firststep) return 0.0;
+    int allnobias;
+    MPI_Allreduce(&nobias,&allnobias,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allnobias / (update->ntimestep - update->firststep);
+  }
+
+  if (i == 6) {
+    double alldriftsq;
+    MPI_Allreduce(&maxdriftsq,&alldriftsq,1,MPI_DOUBLE,MPI_MAX,world);
+    return sqrt(alldriftsq);
+  }
+
+  if (i == 7) {
+    double allbondlen;
+    MPI_Allreduce(&maxbondlen,&allbondlen,1,MPI_DOUBLE,MPI_MAX,world);
+    return allbondlen;
+  }
+
+  if (i == 8) return t_hyper;
+  if (i == 9) return (double) nevent;
+  if (i == 10) return (double) nevent_atom;
+}
+
+/* ----------------------------------------------------------------------
+   wrapper on compute_vector()
+   used by hyper.cpp to call FixHyper
+------------------------------------------------------------------------- */
+
+double FixHyperGlobal::query(int i)
+{
+  if (i == 1) return compute_vector(8);  // cummulative hyper time
+  if (i == 2) return compute_vector(9);  // nevent
+  if (i == 3) return compute_vector(10); // nevent_atom 
+  if (i == 4) return compute_vector(4);  // ave bonds/atom
+  if (i == 5) return compute_vector(6);  // maxdrift
+  if (i == 6) return compute_vector(7);  // maxbondlen
+  if (i == 7) return compute_vector(5);  // fraction with zero bias
+
+  error->all(FLERR,"Invalid query to fix hyper/global");
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based arrays
+------------------------------------------------------------------------- */
+
+double FixHyperGlobal::memory_usage()
+{
+  double bytes = maxbond * sizeof(OneBond);    // blist
+  return bytes;
+}
diff --git a/src/REPLICA/fix_hyper_global.h b/src/REPLICA/fix_hyper_global.h
new file mode 100644
index 0000000000..d8b1cef425
--- /dev/null
+++ b/src/REPLICA/fix_hyper_global.h
@@ -0,0 +1,110 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(hyper/global,FixHyperGlobal)
+
+#else
+
+#ifndef LMP_FIX_HYPER_GLOBAL_H
+#define LMP_FIX_HYPER_GLOBAL_H
+
+#include "fix_hyper.h"
+
+namespace LAMMPS_NS {
+
+class FixHyperGlobal : public FixHyper {
+ public:
+  FixHyperGlobal(class LAMMPS *, int, char **);
+  ~FixHyperGlobal();
+  int setmask();
+  void init();
+  void init_list(int, class NeighList *);
+  void setup_pre_neighbor();
+  void setup_pre_reverse(int, int);
+  void pre_neighbor();
+  void pre_reverse(int, int);
+  double compute_scalar();
+  double compute_vector(int);
+  double query(int);
+
+  double memory_usage();
+
+  // extra methods visible to callers
+
+  void init_hyper();
+  void build_bond_list(int);
+
+ private:
+  int me;
+  double cutbond,qfactor,vmax,tequil;
+
+  int firstflag,bcastflag,owner,nevent,nevent_atom;
+  double cutbondsq,beta,dt,t_hyper,invqfactorsq;
+  double outvec[5];        // same as VECLEN in *.cpp
+  double maxbondlen;       // max length of any bond
+  double maxdriftsq;       // max distance any atom drifts from original pos
+  int nobias;              // # of steps when bias = 0, b/c bond too long
+
+  class NeighList *list;
+
+  // list of my owned bonds
+  // persists on a proc from one event until the next
+
+  int maxbond;                 // allocated size of blist
+
+  struct OneBond {             // single IJ bond, atom I is owner
+    int i,j;                   // current local indices of 2 bond atoms
+    int iold,jold;             // local indices when bonds were formed
+    double r0;                 // relaxed bond length
+  };
+
+  struct OneBond *blist;        // list of owned bonds
+  int nblocal;                  // # of owned bonds
+
+  // coords and IDs of owned+ghost atoms when bonds were formed
+  // persists on a proc from one event until the next
+
+  int maxold;                   // allocated size of old atoms
+
+  double **xold;                // coords of atoms when bonds were formed
+  tagint *tagold;               // IDs of atoms when bonds were formed
+
+  // MPI data struct for finding bond with max strain via Allreduce
+
+  struct Two {
+    double value;
+    int proc;
+  };
+  Two pairme,pairall;
+
+  // internal methods
+
+  void grow_bond();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+*/
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
new file mode 100644
index 0000000000..b60ba7339f
--- /dev/null
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -0,0 +1,1610 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU Gene<ral Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <math.h>
+#include <stdio.h>
+#include <string.h>
+#include "fix_hyper_local.h"
+#include "atom.h"
+#include "update.h"
+#include "force.h"
+#include "pair.h"
+#include "domain.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "neigh_request.h"
+#include "neigh_list.h"
+#include "modify.h"
+#include "math_extra.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace FixConst;
+
+#define DELTABOOST 16
+#define BOOSTINIT 1.0
+#define COEFFMAX 1.2
+#define BIG 1.0e20
+
+enum{STRAIN,STRAINREGION,BIASFLAG};
+enum{IGNORE,WARN,ERROR};
+
+/* ---------------------------------------------------------------------- */
+
+FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
+  FixHyper(lmp, narg, arg)
+{
+  // NOTE: add NULL declarations
+
+  // error checks
+  // solution for tagint != int is to worry about storing
+  //   local index vs global ID in same variable
+  //   maybe need to declare them all tagint, not int
+
+  if (atom->map_style == 0) 
+    error->all(FLERR,"Fix hyper/local command requires atom map");
+
+  if (sizeof(tagint) != sizeof(int))
+     error->all(FLERR,"Fix hyper/local requires tagint = int");
+
+  // parse args
+
+  if (narg < 10) error->all(FLERR,"Illegal fix hyper/local command");
+
+  hyperflag = 2;
+  scalar_flag = 1;
+  vector_flag = 1;
+  size_vector = 23;
+
+  global_freq = 1;
+  extscalar = 0;
+  extvector = 0;
+
+  cutbond = force->numeric(FLERR,arg[3]);
+  qfactor = force->numeric(FLERR,arg[4]);
+  vmax = force->numeric(FLERR,arg[5]);
+  tequil = force->numeric(FLERR,arg[6]);
+  dcut = force->numeric(FLERR,arg[7]);
+  alpha_user = force->numeric(FLERR,arg[8]);
+  boosttarget = force->numeric(FLERR,arg[9]);
+
+  if (cutbond < 0.0 || qfactor < 0.0 || vmax < 0.0 || 
+      tequil <= 0.0 || dcut <= 0.0 || alpha_user <= 0.0 || boosttarget < 1.0)
+    error->all(FLERR,"Illegal fix hyper/local command");
+
+  invqfactorsq = 1.0 / (qfactor*qfactor);
+  cutbondsq = cutbond*cutbond;
+  dcutsq = dcut*dcut;
+  beta = 1.0 / (force->boltz * tequil);
+
+  // optional args
+
+  histoflag = 0;
+  lostbond = IGNORE;
+  checkbias = 0;
+  checkcoeff = 0;
+
+  int iarg = 10;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"histo") == 0) {
+      if (iarg+5 > narg) error->all(FLERR,"Illegal fix hyper/local command");
+      histoflag = 1;
+      histo_every = force->inumeric(FLERR,arg[iarg+1]);
+      histo_count = force->inumeric(FLERR,arg[iarg+2]);
+      histo_delta = force->numeric(FLERR,arg[iarg+3]);
+      histo_print = force->inumeric(FLERR,arg[iarg+4]);
+      if (histo_every <= 0 || histo_count % 2 || 
+          histo_delta <= 0.0 || histo_print <= 0)
+        error->all(FLERR,"Illegal fix hyper/local command");
+      iarg += 5;
+
+    } else if (strcmp(arg[iarg],"lostbond") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix hyper/local command");
+      if (strcmp(arg[iarg+1],"error") == 0) lostbond = ERROR;
+      else if (strcmp(arg[iarg+1],"warn") == 0) lostbond = WARN;
+      else if (strcmp(arg[iarg+1],"ignore") == 0) lostbond = IGNORE;
+      else error->all(FLERR,"Illegal fix hyper/local command");
+      iarg += 2;
+
+    } else if (strcmp(arg[iarg],"check/bias") == 0) {
+      if (iarg+3 > narg) error->all(FLERR,"Illegal fix hyper/local command");
+      checkbias = 1;
+      checkbias_every = force->inumeric(FLERR,arg[iarg+1]);
+      if (strcmp(arg[iarg+2],"error") == 0) checkbias_flag = ERROR;
+      else if (strcmp(arg[iarg+2],"warn") == 0) checkbias_flag = WARN;
+      else if (strcmp(arg[iarg+2],"ignore") == 0) checkbias_flag = IGNORE;
+      else error->all(FLERR,"Illegal fix hyper/local command");
+      iarg += 3;
+
+    } else if (strcmp(arg[iarg],"check/coeff") == 0) {
+      if (iarg+3 > narg) error->all(FLERR,"Illegal fix hyper/local command");
+      checkcoeff = 1;
+      checkcoeff_every = force->inumeric(FLERR,arg[iarg+1]);
+      if (strcmp(arg[iarg+2],"error") == 0) checkcoeff_flag = ERROR;
+      else if (strcmp(arg[iarg+2],"warn") == 0) checkcoeff_flag = WARN;
+      else if (strcmp(arg[iarg+2],"ignore") == 0) checkcoeff_flag = IGNORE;
+      else error->all(FLERR,"Illegal fix hyper/local command");
+      iarg += 3;
+
+    } else error->all(FLERR,"Illegal fix hyper/local command");
+  }
+
+  // per-atom data structs
+
+  maxbond = 0;
+  bonds = NULL;
+  numbond = NULL;
+  maxstrain = NULL;
+  maxstrain_region = NULL;
+  maxstrain_bondindex = NULL;
+  biasflag = NULL;
+
+  maxold = old_nall = 0;
+  old2now = NULL;
+  xold = NULL;      // NOTE: don't really need except to monitor drift
+  tagold = NULL;
+
+  nboost = maxboost = 0;
+  boost = NULL;
+
+  // maxbondperatom = max # of bonds any atom is part of
+  // will be reset in bond_build()
+  // set comm size needed by this fix
+
+  maxbondperatom = 1;
+  comm_forward = 1;
+  comm_reverse = 1;
+
+  // perform initial allocation of atom-based arrays
+  // register with Atom class
+
+  grow_arrays(atom->nmax);
+  atom->add_callback(0);
+
+  me = comm->me;
+  firstflag = 1;
+
+  allbonds = 0;
+  allboost = 0.0;
+
+  starttime = update->ntimestep;
+  nostrainyet = 1;
+  nnewbond = 0;
+  nevent = 0;
+  nevent_atom = 0;
+  mybias = 0.0;
+
+  histo = allhisto = NULL;
+  if (histoflag) {
+    invhisto_delta = 1.0 / histo_delta;
+    histo_lo = 1.0 - (histo_count/2 * histo_delta);
+    histo = new bigint[histo_count+2];
+    allhisto = new bigint[histo_count+2];
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixHyperLocal::~FixHyperLocal()
+{
+  memory->destroy(bonds);
+  memory->destroy(numbond);
+
+  memory->destroy(maxstrain);
+  memory->destroy(maxstrain_region);
+  memory->destroy(maxstrain_bondindex);
+  memory->destroy(biasflag);
+
+  memory->destroy(old2now);
+  memory->destroy(xold);
+  memory->destroy(tagold);
+  memory->destroy(boost);
+  delete [] histo;
+  delete [] allhisto;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixHyperLocal::setmask()
+{
+  int mask = 0;
+  mask |= PRE_NEIGHBOR;
+  mask |= PRE_REVERSE;
+  mask |= MIN_PRE_NEIGHBOR;
+  mask |= THERMO_ENERGY;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::init_hyper()
+{
+  ghost_toofar = 0;
+  lostbond_partner = 0;
+  lostbond_coeff = 0.0;
+  checkbias_count = 0;
+  checkcoeff_count = 0;
+  maxdriftsq = 0.0;
+  maxbondlen = 0.0;
+  maxboostcoeff = 0.0;
+  minboostcoeff = BIG;
+  sumboostcoeff = 0.0;
+  nboost_running = 0;
+  nobias_running = 0;
+  rmaxever = 0.0;
+  rmaxeverbig = 0.0;
+
+  nbondbuild = 0;
+  time_bondbuild = 0.0;
+
+  if (histoflag) histo_steps = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::init()
+{
+  alpha = update->dt / alpha_user;
+
+  // cutghost = communication cutoff as calculated by Neighbor and Comm
+  // error if cutghost is smaller than Dcut
+  // warn if no drift distance added to cutghost
+
+  if (firstflag) {
+    double cutghost;            
+    if (force->pair) 
+      cutghost = MAX(force->pair->cutforce+neighbor->skin,comm->cutghostuser);
+    else 
+      cutghost = comm->cutghostuser;
+    
+    if (cutghost < dcut) 
+      error->all(FLERR,"Fix hyper/local bond cutoff exceeds ghost atom range - "
+                 "use comm_modify cutoff command");
+    if (cutghost < dcut+cutbond && me == 0) 
+      error->warning(FLERR,"Fix hyper/local ghost atom range "
+                     "may not allow for atom drift between events");
+  }
+
+  // NOTE: error if not newton,
+  //       since bond force bias will not be applied correctly to straddle bonds?
+
+  // NOTE: if exclusions are enabled, some near-neighbors won't appear
+  //       will be missed in bonds - WARN if molecular system?
+
+  // need an occasional full neighbor list with cutoff = Dcut
+  // do not need to include neigh skin in cutoff,
+  //   b/c this list will be built every time bond_build() is called
+  // NOTE: what if pair style list cutoff > Dcut
+  //   or what if neigh skin is huge?
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->pair = 0;
+  neighbor->requests[irequest]->fix = 1;
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->cut = 1;
+  neighbor->requests[irequest]->cutoff = dcut;
+  neighbor->requests[irequest]->occasional = 1;
+
+  // DEBUG timing output
+
+  timefirst = timesecond = timethird = timefourth = timefifth =
+    timesixth = timeseventh = timetotal = 0.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::init_list(int id, NeighList *ptr)
+{
+  list = ptr;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::setup_pre_neighbor()
+{
+  // called for dynamics and minimization   NOTE: check if min is needed?
+
+  pre_neighbor();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::setup_pre_reverse(int eflag, int vflag)
+{
+  // only called for dynamics, not minimization
+  // setupflag prevents boostostat update of boost coeffs in setup
+  // also prevents increments of nboost_running, nbias_running, sumboostcoeff
+
+  setupflag = 1;
+  pre_reverse(eflag,vflag);
+  setupflag = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::pre_neighbor()
+{
+  int i,m,n,ilocal,jlocal;
+
+  // convert global ID bond partners back to local indices
+  // need to use closest_image() so can calculate bond lengths
+  // error flag should not happen for a well-behaved system
+  // b/c are only looking up bond partners inside or near my sub-domain
+
+  double **x = atom->x;
+  int nlocal = atom->nlocal;
+
+  int missing = 0;
+  double missing_coeff = 0.0;
+
+  for (i = 0; i < nlocal; i++) {
+    n = numbond[i];
+    for (m = 0; m < n; m++) {
+      jlocal = atom->map(bonds[i][m].jtag);
+      if (jlocal >= 0) bonds[i][m].j = domain->closest_image(i,jlocal);
+      else {
+        bonds[i][m].j = -1;
+        missing++;
+        missing_coeff += bonds[i][m].boostcoeff;
+        if (lostbond != IGNORE) {
+          char str[128];
+          sprintf(str,"Fix hyper/local bond info missing for bond " 
+                  TAGINT_FORMAT "," TAGINT_FORMAT 
+                  " with coeff %g at step " BIGINT_FORMAT,
+                  atom->tag[i],bonds[i][m].jtag,bonds[i][m].boostcoeff,
+                  update->ntimestep);
+          if (lostbond == ERROR) error->one(FLERR,str);
+          if (lostbond == WARN) error->warning(FLERR,str);
+        }
+      }
+    }
+  }
+
+  lostbond_partner += missing;
+  lostbond_coeff += missing_coeff;
+
+  // set old2now to point to current local atom indices
+  // only necessary for tagold entries > 0
+  //   because if tagold = 0, atom is not active in Dcut neighbor list
+  // must be done after atoms migrate and ghost atoms setup via comm->borders()
+  // does not matter if there are multiple ghost copies of a global ID
+  //   since only need the ghost atom strain, not its coordinates
+  // NOTE: maybe need not use closest image, b/c old2now only used to access
+  //   maxstrain values, which will be same for any copy of ghost atom ??
+  //   also need it to compute maxdriftsq correctly when a proc spans a PBC
+
+  double distsq;
+
+  for (i = 0; i < old_nall; i++) {
+    if (tagold[i] == 0) continue;
+    ilocal = atom->map(tagold[i]);
+    ilocal = domain->closest_image(xold[i],ilocal);
+    old2now[i] = ilocal;
+
+    if (ilocal >= 0) {
+      distsq = MathExtra::distsq3(x[ilocal],xold[i]);
+      maxdriftsq = MAX(distsq,maxdriftsq);
+    } else ghost_toofar++;
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::pre_reverse(int eflag, int vflag)
+{
+  int i,j,m,ii,jj,inum,jnum,iold,jold,nbond,bondindex;
+  tagint itag,jtag;
+  double xtmp,ytmp,ztmp,delx,dely,delz;
+  double r,r0,estrain,emax,vbias,fbias,fbiasr,boostcoeff;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  //double time1,time2,time3,time4,time5,time6,time7,time8;
+  //time1 = MPI_Wtime();
+
+  // compute current maxstrain and maxstrain_bond for each owned atom
+  // use per-atom full bond list
+  // this is double-calculating for IJ and JI bonds
+  //   could compute once, but would have to find/store index of JI bond
+  // order two I,J atoms consistently for IJ and JI calcs
+  //   to insure no round-off issue when comparing maxstrain values of I,J
+
+  double **x = atom->x;
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+
+  int mybonds = 0;
+  nostrainyet = 0;
+
+  for (i = 0; i < nlocal; i++) {
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itag = tag[i];
+    emax = 0.0;
+    bondindex = -1;
+    jtag = 0;
+
+    nbond = numbond[i];
+    mybonds += nbond;
+    for (m = 0; m < nbond; m++) {
+      j = bonds[i][m].j;
+      if (j < 0) continue;
+      jtag = bonds[i][m].jtag;
+      r0 = bonds[i][m].r0;
+      if (itag < jtag) {
+        delx = xtmp - x[j][0];
+        dely = ytmp - x[j][1];
+        delz = ztmp - x[j][2];
+      } else {
+        delx = x[j][0] - xtmp;
+        dely = x[j][1] - ytmp;
+        delz = x[j][2] - ztmp;;
+      }
+      r = sqrt(delx*delx + dely*dely + delz*delz);
+      maxbondlen = MAX(r,maxbondlen);
+      estrain = fabs(r-r0) / r0;
+      if (estrain > emax) {
+        emax = estrain;
+        bondindex = m;
+      }
+    }
+    maxstrain[i] = emax;
+    maxstrain_bondindex[i] = bondindex;
+  }
+
+  //time2 = MPI_Wtime();
+
+  // forward comm to acquire maxstrain of all ghost atoms
+
+  commflag = STRAIN;
+  comm->forward_comm_fix(this);
+
+  //time3 = MPI_Wtime();
+
+  // use original Dcut neighbor list to check maxstrain of all neighbor atoms
+  // set maxstrain_region of I atoms = maxstrain of I and all J neighs
+  // neighbor list has old indices for IJ b/c reneighboring may have occurred
+  //   use old2now[] to convert to current indices
+  // if neighbor is not currently known (too far away),
+  //   then assume it was part of an event and its strain = qfactor
+  // this double loop sets maxstrain_region of mostly owned atoms
+  //   but possibly some ghost atoms as well
+
+  int nall = nlocal + atom->nghost;
+  for (i = 0; i < nall; i++) maxstrain_region[i] = 0.0;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // find largest distance from subbox that a ghost atom is with strain < qfactor
+
+  double rmax = rmaxever;
+  double rmaxbig = rmaxeverbig;
+  double *sublo = domain->sublo;
+  double *subhi = domain->subhi;
+
+  for (ii = 0; ii < inum; ii++) {
+    iold = ilist[ii];
+    jlist = firstneigh[iold];
+    jnum = numneigh[iold];
+
+    // I and J may be ghost atoms
+    // will always know I b/c atoms do not drift that far
+    // but may no longer know J if hops outside cutghost
+    // in that case, assume it performed an event, its strain = qfactor
+
+    i = old2now[iold];
+    emax = maxstrain[i];
+    
+    for (jj = 0; jj < jnum; jj++) {
+      jold = jlist[jj];
+      j = old2now[jold];
+      if (j >= 0) emax = MAX(emax,maxstrain[j]);
+      else {
+        emax = MAX(emax,qfactor);
+        continue;
+      }
+
+      // DEBUG - only good for 2 dims x,y
+
+      if (j >= nlocal) {
+        if (x[j][0] < sublo[0]) rmaxbig = MAX(rmaxbig,sublo[0]-x[j][0]);
+        if (x[j][1] < sublo[1]) rmaxbig = MAX(rmaxbig,sublo[1]-x[j][1]);
+        if (x[j][0] > subhi[0]) rmaxbig = MAX(rmaxbig,x[j][0]-subhi[0]);
+        if (x[j][1] > subhi[1]) rmaxbig = MAX(rmaxbig,x[j][1]-subhi[1]);
+        if (maxstrain[j] < qfactor) {
+          if (x[j][0] < sublo[0]) rmax = MAX(rmax,sublo[0]-x[j][0]);
+          if (x[j][1] < sublo[1]) rmax = MAX(rmax,sublo[1]-x[j][1]);
+          if (x[j][0] > subhi[0]) rmax = MAX(rmax,x[j][0]-subhi[0]);
+          if (x[j][1] > subhi[1]) rmax = MAX(rmax,x[j][1]-subhi[1]);
+        }
+      }
+    }
+
+    maxstrain_region[i] = emax;
+  }
+
+  double rmax2[2],rmax2all[2];
+  rmax2[0] = rmax;
+  rmax2[1] = rmaxbig;
+  MPI_Allreduce(&rmax2,&rmax2all,2,MPI_DOUBLE,MPI_MAX,world);
+  rmaxever = rmax2all[0];
+  rmaxeverbig = rmax2all[1];
+
+  MPI_Allreduce(&mybonds,&allbonds,1,MPI_INT,MPI_SUM,world);
+
+  //time4 = MPI_Wtime();
+
+  // reverse comm to acquire maxstrain_region from ghost atoms
+  // needed b/c neighbor list referred to old owned atoms,
+  //   so above loop may set maxstrain_region of ghost atoms
+  // forward comm to acquire maxstrain_region of all ghost atoms
+
+  commflag = STRAINREGION;
+  comm->reverse_comm_fix(this);
+  comm->forward_comm_fix(this);
+
+  //time5 = MPI_Wtime();
+
+  // identify biased bonds and add to boost list
+  // for each max-strain bond IJ of atom I:
+  //   bias this bond only if all these conditions hold:
+  //     itag < jtag, so bond is only biased once
+  //     maxstrain[i] = maxstrain_region[i]
+  //     maxstrain[j] = maxstrain_region[j]
+  // NOTE: also need to check that maxstrain[i] = maxstrain[j] ??
+  //       don't think so, b/c maxstrain_region[i] includes maxstrain[i]
+
+  nboost = 0;
+
+  for (i = 0; i < nlocal; i++) {
+    if (numbond[i] == 0) continue;
+    itag = tag[i];
+    j = bonds[i][maxstrain_bondindex[i]].j;
+    jtag = tag[j];
+    if (itag > jtag) continue;
+
+    if (maxstrain[i] != maxstrain_region[i]) continue;
+    if (maxstrain[j] != maxstrain_region[j]) continue;
+
+    if (nboost == maxboost) {
+      maxboost += DELTABOOST;
+      memory->grow(boost,maxboost,"hyper/local:boost");
+    }
+    boost[nboost++] = i;
+  }
+
+  //time6 = MPI_Wtime();
+
+  // apply boost force to bonds with locally max strain
+
+  double **f = atom->f;
+
+  int nobias = 0;
+  mybias = 0.0;
+
+  for (int iboost = 0; iboost < nboost; iboost++) {
+    i = boost[iboost];
+    emax = maxstrain[i];
+    if (emax >= qfactor) {
+      nobias++;
+      continue;
+    }
+
+    m = maxstrain_bondindex[i];
+    j = bonds[i][m].j;
+    r0 = bonds[i][m].r0;
+    boostcoeff = bonds[i][m].boostcoeff;
+
+    vbias = boostcoeff * vmax * (1.0 - emax*emax*invqfactorsq);
+    fbias = boostcoeff * 2.0 * vmax * emax / (qfactor*qfactor * r0);
+
+    delx = x[i][0] - x[j][0];
+    dely = x[i][1] - x[j][1];
+    delz = x[i][2] - x[j][2];
+    r = sqrt(delx*delx + dely*dely + delz*delz);
+    fbiasr = fbias / r;
+
+    f[i][0] += delx*fbiasr;
+    f[i][1] += dely*fbiasr;
+    f[i][2] += delz*fbiasr;
+
+    f[j][0] -= delx*fbiasr;
+    f[j][1] -= dely*fbiasr;
+    f[j][2] -= delz*fbiasr;
+
+    mybias += vbias;
+  }
+
+  //time7 = MPI_Wtime();
+
+  // no boostostat update of boost coeffs when pre_reverse called from setup()
+  // nboost_running, nobias_running, sumboostcoeff only incremented on run steps
+  // NOTE: maybe should also not bias any bonds on firststep of this fix
+
+  if (setupflag) return;
+  nboost_running += nboost;
+  nobias_running += nobias;
+
+  // apply boostostat to boost coefficients of all bonds of all owned atoms
+  // use per-atom full bond list
+  // this is double-calculating for IJ and JI bonds
+  //   should be identical for both, b/c emax is the same
+  //   could compute once, but would have to find/store index of JI bond
+  // delta in boost coeff is function of maxboost_region vs target boost
+  // maxboost_region is function of two maxstrain_regions for I,J
+  // NOTE: if J is lost to I but not vice versa, then biascoeff IJ != JI
+
+
+
+
+  // DEBUG info for Max and Min bias coeffs every step
+
+  //  if (update->ntimestep >= 300000) {
+  if (update->ntimestep >= 0) {
+
+    double emaxi,emaxj,maxboost_region;
+    double mincoeff = 1.0e20;
+    double maxcoeff = -1.0e20;
+    double delta;
+    double maxcoeffprev,deltamax,eimax,ejmax,emaximax,emaxjmax,mbrmax;
+    double mincoeffprev,deltamin,eimin,ejmin,emaximin,emaxjmin,mbrmin;
+    int itagmax,jtagmax,jtagmax2;
+    int itagmin,jtagmin,jtagmin2;
+
+    for (i = 0; i < nlocal; i++) {
+      emaxi = maxstrain_region[i];
+      nbond = numbond[i];
+      for (m = 0; m < nbond; m++) {
+        j = bonds[i][m].j;
+        if (j < 0) continue;
+        emaxj = maxstrain_region[j];
+        emax = MAX(emaxi,emaxj);
+        if (emax < qfactor) vbias = vmax * (1.0 - emax*emax*invqfactorsq);
+        else vbias = 0.0;
+        boostcoeff = bonds[i][m].boostcoeff;
+        maxboost_region = exp(beta * boostcoeff*vbias);
+        delta = -alpha * (maxboost_region-boosttarget) / boosttarget;
+        boostcoeff += delta;
+
+        if (boostcoeff > maxcoeff) {
+          maxcoeffprev = boostcoeff - delta;
+          maxcoeff = boostcoeff;
+          itagmax = tag[i];
+          jtagmax = tag[j];
+          jtagmax2 = bonds[i][m].jtag;
+          deltamax = delta;
+          eimax = maxstrain[i];
+          ejmax = maxstrain[j];
+          emaximax = emaxi;
+          emaxjmax = emaxj;
+          mbrmax = maxboost_region;
+        }
+
+        if (boostcoeff < mincoeff) {
+          mincoeffprev = boostcoeff - delta;
+          mincoeff = boostcoeff;
+          itagmin = tag[i];
+          jtagmin = tag[j];
+          jtagmin2 = bonds[i][m].jtag;
+          deltamin = delta;
+          eimin = maxstrain[i];
+          ejmin = maxstrain[j];
+          emaximin = emaxi;
+          emaxjmin = emaxj;
+          mbrmin = maxboost_region;
+        }
+      }
+    }
+
+    // min/max owner = procs that own the Min and Max bias coeffs
+
+    pairme.value = mincoeff;
+    pairme.proc = me;
+    MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MINLOC,world);
+    int minowner = pairall.proc;
+    
+    pairme.value = maxcoeff;
+    pairme.proc = me;
+    MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MAXLOC,world);
+    int maxowner = pairall.proc;
+  
+    // get info about which atom and bond influenced Max coeff
+    // querystrain = strain of bond that is influencing the max Cij
+    // inbondi,inbondj = ID of I,J atoms in the influence bond
+    // incoeff = bias coeff of influence bond
+    // inbias = 1/0 if inflence bond is biased or not on this step
+    // instraddle = 1/0 if influence bond straddles proc boundary or not
+
+    double querystrain;
+    if (maxowner == me) querystrain = MAX(emaximax,emaxjmax);
+    MPI_Bcast(&querystrain,1,MPI_DOUBLE,maxowner,world);
+
+    int count = 0;
+    for (i = 0; i < nlocal; i++) {
+      m = maxstrain_bondindex[i];
+      if (tag[i] > bonds[i][m].jtag) continue;
+      if (querystrain == maxstrain[i]) count++;
+    }
+
+    int countall;
+    MPI_Allreduce(&count,&countall,1,MPI_INT,MPI_SUM,world);
+
+    int inbias = 0;
+    int instraddle = countall;     // output in rare case countall != 1
+    tagint inbondi = 0;
+    tagint inbondj = 0;
+    double incoeff = 0.0;
+    
+    if (countall == 1) {
+      int procowner;
+      int proc = 0;
+      for (i = 0; i < nlocal; i++) {
+        m = maxstrain_bondindex[i];
+        if (tag[i] > bonds[i][m].jtag) continue;
+        if (querystrain == maxstrain[i]) {
+          proc = me;
+          inbondi = tag[i];
+          inbondj = bonds[i][m].jtag;
+          incoeff = bonds[i][m].boostcoeff;
+          instraddle = 0;
+          if (bonds[i][m].j >= nlocal) instraddle = 1;
+          inbias = 0;
+          for (int iboost = 0; iboost < nboost; iboost++)
+            if (boost[iboost] == i) inbias = 1;
+        }
+      }
+      
+      MPI_Allreduce(&proc,&procowner,1,MPI_INT,MPI_MAX,world);
+      MPI_Bcast(&inbondi,1,MPI_LMP_TAGINT,procowner,world);
+      MPI_Bcast(&inbondj,1,MPI_LMP_TAGINT,procowner,world);
+      MPI_Bcast(&incoeff,1,MPI_DOUBLE,procowner,world);
+      MPI_Bcast(&instraddle,1,MPI_INT,procowner,world);
+      MPI_Bcast(&inbias,1,MPI_INT,procowner,world);
+    }
+
+    // output by procs that own the Min and Max bias coeffs
+    
+    if (minowner == me) {
+      printf("MinCoeff %ld %d : %d %d %d : prev/delta/new %g %g %g : "
+             "Eij %g %g %g %g : BR %g\n",
+             update->ntimestep,comm->me,itagmin,jtagmin,jtagmin2,
+             mincoeffprev,deltamin,mincoeff,eimin,ejmin,emaximin,emaxjmin,mbrmin);
+    }
+    if (maxowner == me) {
+      printf("MaxCoeff %ld %d : %d %d %d : prev/delta/new %g %g %g : "
+             "Eij %g %g %g %g : Bond %d %d %g %d %d : BR %g\n",
+             update->ntimestep,comm->me,itagmax,jtagmax,jtagmax2,
+             maxcoeffprev,deltamax,maxcoeff,
+             eimax,ejmax,emaximax,emaxjmax,
+             inbondi,inbondj,incoeff,inbias,instraddle,mbrmax);
+    }
+  }
+
+  // end of DEBUG
+
+
+
+
+
+  double myboost = 0.0;
+  double emaxi,emaxj,maxboost_region;
+
+  for (i = 0; i < nlocal; i++) {
+    emaxi = maxstrain_region[i];
+    nbond = numbond[i];
+    for (m = 0; m < nbond; m++) {
+      j = bonds[i][m].j;
+      if (j < 0) continue;
+      emaxj = maxstrain_region[j];
+      emax = MAX(emaxi,emaxj);
+      if (emax < qfactor) vbias = vmax * (1.0 - emax*emax*invqfactorsq);
+      else vbias = 0.0;
+      boostcoeff = bonds[i][m].boostcoeff;
+      maxboost_region = exp(beta * boostcoeff*vbias);
+      boostcoeff -= alpha * (maxboost_region-boosttarget) / boosttarget;
+      // COMMENT OUT for now
+      //boostcoeff = MIN(boostcoeff,COEFFMAX);
+      myboost += boostcoeff;
+      maxboostcoeff = MAX(maxboostcoeff,boostcoeff);
+      minboostcoeff = MIN(minboostcoeff,boostcoeff);
+      bonds[i][m].boostcoeff = boostcoeff;
+    }
+  }
+
+  // running stats
+
+  MPI_Allreduce(&myboost,&allboost,1,MPI_DOUBLE,MPI_SUM,world);
+  if (allbonds) sumboostcoeff += allboost/allbonds;
+
+  // histogram the bond coeffs and output as requested
+  // do not double count each bond
+
+  if (histoflag && update->ntimestep % histo_every == 0) {
+    if (histo_steps == 0)
+      for (i = 0; i < histo_count+2; i++) histo[i] = 0;
+    histo_steps++;
+
+    int ihisto;
+    for (i = 0; i < nlocal; i++) {
+      nbond = numbond[i];
+      for (m = 0; m < nbond; m++) {
+        if (tag[i] > bonds[i][m].jtag) continue;
+        boostcoeff = bonds[i][m].boostcoeff;
+        if (boostcoeff < histo_lo) ihisto = -1;
+        else ihisto = static_cast<int> ((boostcoeff-histo_lo) * invhisto_delta);
+        if (ihisto >= histo_count) ihisto = histo_count;
+        histo[ihisto+1]++;
+      }
+    }
+
+    if (update->ntimestep % histo_print == 0) {
+      MPI_Allreduce(histo,allhisto,histo_count+2,MPI_LMP_BIGINT,MPI_SUM,world);
+
+      bigint total;
+      for (i = 0; i < histo_count+2; i++) total += allhisto[i];
+
+      if (me == 0) {
+        if (screen) {
+          fprintf(screen,"Histogram of bias coeffs:\n");
+          for (i = 0; i < histo_count+2; i++) 
+            fprintf(screen,"  %g",1.0*allhisto[i]/total);
+          fprintf(screen,"\n");
+        }
+        if (logfile) {
+          fprintf(logfile,"Histogram of bias coeffs:\n");
+          for (i = 0; i < histo_count+2; i++) 
+            fprintf(logfile,"  %g",1.0*allhisto[i]/total);
+          fprintf(logfile,"\n");
+        }
+      }
+    }
+  }
+
+  // check for any biased bonds that are too close to each other
+  // keep a running count for output
+
+  if (checkbias && update->ntimestep % checkbias_every == 0) {
+
+    // mark each atom in a biased bond with ID of partner
+    // nboost loop will mark some ghost atoms
+
+    for (i = 0; i < nall; i++) biasflag[i] = 0;
+
+    for (int iboost = 0; iboost < nboost; iboost++) {
+      i = boost[iboost];
+      m = maxstrain_bondindex[i];
+      j = bonds[i][m].j;
+      biasflag[i] = tag[j];
+      biasflag[j] = tag[i];
+    }
+
+    // reverse comm to acquire biasflag from ghost atoms
+    // needed b/c above loop may set biasflag of ghost atoms
+    // forward comm to acquire biasflag of all ghost atoms
+
+    commflag = BIASFLAG;
+    comm->reverse_comm_fix(this);
+    comm->forward_comm_fix(this);
+
+    // I and J may be ghost atoms
+    // only continue if I is a biased atom
+    // if J is unknonw (drifted ghost) just ignore
+    // if J is biased and is not bonded to I, then flag as too close
+
+    for (ii = 0; ii < inum; ii++) {
+      iold = ilist[ii];
+      i = old2now[iold];
+      if (biasflag[i] == 0) continue;
+
+      jlist = firstneigh[iold];
+      jnum = numneigh[iold];
+
+      for (jj = 0; jj < jnum; jj++) {
+        jold = jlist[jj];
+        j = old2now[jold];
+        if (j < 0) continue;
+        if (biasflag[j] && biasflag[j] != tag[i]) checkbias_count++;
+      }
+    }
+  }
+
+  // check for any bond bias coeffcients that do not match
+  // cannot check unless both atoms IJ are owned by this proc
+  // keep a running count for output
+
+  if (checkcoeff && update->ntimestep % checkcoeff_every == 0) {
+    int jb,jbonds;
+    double ibias,jbias;
+    
+    for (i = 0; i < nlocal; i++) {
+      nbond = numbond[i];
+      for (m = 0; m < nbond; m++) {
+        if (tag[i] > bonds[i][m].jtag) continue;
+        j = bonds[i][m].j;
+        if (j < 0) continue;
+        if (j >= nlocal) continue;
+        itag = tag[i];
+        jbonds = numbond[j];
+        for (jb = 0; jb < jbonds; jb++)
+          if (bonds[j][jb].jtag == itag) break;
+        if (jb == jbonds) 
+          error->one(FLERR,"Fix hyper/local could not find duplicate bond");
+        if (bonds[i][m].boostcoeff != bonds[j][jb].boostcoeff) 
+          checkcoeff_count++;
+      }
+    }
+  }
+
+  // DEBUG timing output
+  // examine these timings for new hyper/local before delete this code
+  // verify that boost cooefs stay in sync for 2 copies of each bond
+  //   before delete this code
+
+  /*
+  time8 = MPI_Wtime();
+
+  timefirst += time2-time1;
+  timesecond += time3-time2;
+  timethird += time4-time3;
+  timefourth += time5-time4;
+  timefifth += time6-time5;
+  timesixth += time7-time6;
+  timeseventh += time8-time7;
+  timetotal += time8-time1;
+
+  double bpera = compute_vector(6);
+  double nbperb = compute_vector(7);
+
+  if (update->ntimestep == 10000 && me == 0) {
+    printf("TIME First %g\n",timefirst);
+    printf("TIME Second %g\n",timesecond);
+    printf("TIME Third %g\n",timethird);
+    printf("TIME Fourth %g\n",timefourth);
+    printf("TIME Fifth %g\n",timefifth);
+    printf("TIME Sixth %g\n",timesixth);
+    printf("TIME Seventh %g\n",timeseventh);
+    printf("TIME Total %g\n",timetotal);
+    printf("Bonds/atom, neigh-bonds/bond %g %g\n",bpera,nbperb);
+    also print nbondbuild and tbondbuild
+  }
+  */
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::min_pre_neighbor()
+{
+  pre_neighbor();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::build_bond_list(int natom)
+{
+  int i,j,ii,jj,m,n,inum,jnum,nbond;
+  tagint itag,jtag;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq,oldcoeff;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  double time1,time2;
+  time1 = MPI_Wtime();
+
+  if (natom) {
+    nevent++;
+    nevent_atom += natom;
+  }
+
+  // trigger Dcut neighbor list build
+  // NOTE: turn off special bonds in this Dcut neigh list?
+
+  neighbor->build_one(list);
+
+  // make copy of old bonds to preserve boostcoeffs for bonds that persist
+  // allocate new numbond
+
+  OneBond **old_bonds = bonds;
+  int *old_numbond = numbond;
+
+  int nmax = atom->nmax;
+  memory->create(numbond,nmax,"hyper/local:numbond");
+
+  // old_nall = value of nall at time bonds are built
+  // reallocate new xold and tagold if necessary
+  // initialize xold to current coords
+  // initialize tagold to zero, so atoms not in neighbor list will remain zero
+
+  old_nall = atom->nlocal + atom->nghost;
+
+  if (old_nall > maxold) {
+    memory->destroy(xold);
+    memory->destroy(tagold);
+    memory->destroy(old2now);
+    maxold = atom->nmax;
+    memory->create(xold,maxold,3,"hyper/local:xold");
+    memory->create(tagold,maxold,"hyper/local:tagold");
+    memory->create(old2now,maxold,"hyper/local:old2now");
+  }
+
+  double **x = atom->x;
+
+  memcpy(&xold[0][0],&x[0][0],3*old_nall*sizeof(double));
+  for (i = 0; i < old_nall; i++) tagold[i] = 0;
+
+  // create and populate new bonds data struct
+  // while loop allows maxbondperatom to increase once if necessary
+  //   don't know new maxbondperatom value until end of loop
+  // in practice maxbondperatom will hardly ever increase
+  //   since there is a physical max value
+
+  tagint *tag = atom->tag;
+  int *mask = atom->mask;
+  int nlocal = atom->nlocal;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  
+  while (1) {
+    bonds = (OneBond **) memory->create(bonds,nmax,maxbondperatom,
+                                        "hyper/local:bonds");
+    if (bonds) memset(bonds[0],0,nmax*sizeof(OneBond));
+    for (i = 0; i < nlocal; i++) numbond[i] = 0;
+
+    // identify bonds assigned to each owned atom
+    // do not create a bond between two non-group atoms
+    // set tagold = global ID for all I,J atoms used in neighbor list
+    //   tagold remains 0 for unused atoms, skipped in pre_neighbor
+
+    int nbondmax = 0;
+
+    for (ii = 0; ii < inum; ii++) {
+      i = ilist[ii];
+      xtmp = x[i][0];
+      ytmp = x[i][1];
+      ztmp = x[i][2];
+      itag = tag[i];
+      tagold[i] = tag[i];
+      jlist = firstneigh[i];
+      jnum = numneigh[i];
+      nbond = 0;
+
+      for (jj = 0; jj < jnum; jj++) {
+        j = jlist[jj];
+        j &= NEIGHMASK;
+        jtag = tag[j];
+        tagold[j] = jtag;
+
+        // skip if neither atom I or J are in fix group
+        // order IJ to insure IJ and JI bonds are stored consistently
+
+        if (!(mask[i] & groupbit) && !(mask[j] & groupbit)) continue;
+
+        if (itag < jtag) {
+          delx = xtmp - x[j][0];
+          dely = ytmp - x[j][1];
+          delz = ztmp - x[j][2];
+        } else {
+          delx = x[j][0] - xtmp;
+          dely = x[j][1] - ytmp;
+          delz = x[j][2] - ztmp;
+        }
+
+        rsq = delx*delx + dely*dely + delz*delz;
+
+        // NOTE: could create two bonds for IJ both owned from one calc?
+        //       have to skip one of 2 bonds in that case
+
+        if (rsq < cutbondsq) {
+          if (nbond >= maxbondperatom) {
+            nbond++;
+            continue;
+          }
+          
+          bonds[i][nbond].r0 = sqrt(rsq);
+          bonds[i][nbond].jtag = tag[j];
+          bonds[i][nbond].j = j;
+
+          if (firstflag) oldcoeff = 0.0;
+          else {
+            oldcoeff = 0.0;
+            jtag = tag[j];
+            n = old_numbond[i];
+            for (m = 0; m < n; m++) {
+              if (old_bonds[i][m].jtag == jtag) {
+                oldcoeff = old_bonds[i][m].boostcoeff;
+                break;
+              }
+            }
+          }
+
+          if (oldcoeff > 0.0) bonds[i][nbond].boostcoeff = oldcoeff;
+          else {
+            bonds[i][nbond].boostcoeff = BOOSTINIT;
+            nnewbond++;
+          }
+          nbond++;
+        }
+      }
+      numbond[i] = nbond;
+      nbondmax = MAX(nbondmax,nbond);
+    }
+
+    // maxbondperatom must increase uniformly on all procs
+    // since bonds are comunicated when atoms migrate
+
+    int allnbondmax;
+    MPI_Allreduce(&nbondmax,&allnbondmax,1,MPI_INT,MPI_MAX,world);
+    if (allnbondmax <= maxbondperatom) break;
+
+    maxbondperatom = allnbondmax;
+    memory->destroy(bonds);
+  }
+
+  // deallocate old_bonds and old_numbond
+
+  memory->destroy(old_bonds);
+  memory->destroy(old_numbond);
+
+  time2 = MPI_Wtime();
+  if (firstflag) nnewbond = 0;
+  else {
+    time_bondbuild += time2-time1;
+    nbondbuild++;
+  }
+  firstflag = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf, 
+                                     int pbc_flag, int *pbc)
+{
+  int i,j,k,m,ibond,nbond,start;
+
+  m = 0;
+
+  // STRAIN
+  // pack maxstrain vector
+
+  if (commflag == STRAIN) {
+    for (i = 0; i < n; i++) {
+      j = list[i];
+      buf[m++] = maxstrain[j];
+    }
+
+  // STRAINREGION
+  // pack maxstrain_region vector
+
+  } else if (commflag == STRAINREGION) {
+    for (i = 0; i < n; i++) {
+      j = list[i];
+      buf[m++] = maxstrain_region[j];
+    }
+
+  // BIASFLAG
+  // pack biasflag vector
+
+  } else if (commflag == BIASFLAG) {
+    for (i = 0; i < n; i++) {
+      j = list[i];
+      buf[m++] = ubuf(biasflag[j]).d;
+    }
+  }
+
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::unpack_forward_comm(int n, int first, double *buf)
+{
+  int i,j,k,m,last,ibond,nbond,jlocal,flag;
+
+  m = 0;
+  last = first + n;
+
+  // STRAIN
+  // unpack maxstrain vector
+
+  if (commflag == STRAIN) {
+    for (i = first; i < last; i++) {
+      maxstrain[i] = buf[m++];
+    }
+
+  // STRAINREGION
+  // unpack maxstrain_region vector
+
+  } else if (commflag == STRAINREGION) {
+    for (i = first; i < last; i++) {
+      maxstrain_region[i] = buf[m++];
+    }
+
+  // BIASFLAG
+  // unpack biasflag vector
+
+  } else if (commflag == BIASFLAG) {
+    for (i = first; i < last; i++) {
+      biasflag[i] = (tagint) ubuf(buf[m++]).i;
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixHyperLocal::pack_reverse_comm(int n, int first, double *buf)
+{
+  int i,m,last;
+
+  m = 0;
+  last = first + n;
+
+  // STRAINREGION
+  // pack maxstrain_region vector
+
+  if (commflag == STRAINREGION) {
+    for (i = first; i < last; i++) {
+      buf[m++] = maxstrain_region[i];
+    }
+
+  // BIASFLAG
+  // pack biasflag vector
+
+  } else if (commflag == BIASFLAG) {
+    for (i = first; i < last; i++) {
+      buf[m++] = ubuf(biasflag[i]).d;
+    }
+  }
+
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixHyperLocal::unpack_reverse_comm(int n, int *list, double *buf)
+{
+  int i,j,m;
+
+  m = 0;
+
+  // STRAINREGION
+  // unpack maxstrain_region vector
+
+  if (commflag == STRAINREGION) {
+    for (i = 0; i < n; i++) {
+      j = list[i];
+      maxstrain_region[j] += buf[m++];
+    }
+
+  // BIASFLAG
+  // unpack biasflag vector
+
+  } else if (commflag == BIASFLAG) {
+    for (i = 0; i < n; i++) {
+      j = list[i];
+      biasflag[j] = (tagint) ubuf(buf[m++]).i;
+    }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   allocate atom-based arrays
+------------------------------------------------------------------------- */
+
+void FixHyperLocal::grow_arrays(int nmax)
+{
+  // NOTE: not all of these need to be Nmax in length, could allocate elsewhere
+
+  memory->grow(maxstrain,nmax,"hyper/local:maxstrain");
+  memory->grow(maxstrain_bondindex,nmax,"hyper/local:maxstrain_bondindex");
+  memory->grow(maxstrain_region,nmax,"hyper/local:maxstrain_region");
+  if (checkbias) memory->grow(biasflag,nmax,"hyper/local:biasflag");
+
+  memory->grow(numbond,nmax,"hyper/local:numbond");
+  memory->grow(bonds,nmax,maxbondperatom,"hyper/local:bonds");
+
+  // zero so valgrind does not complain about memcpy() in copy()
+  // also so loops in pre_neighbor() are OK before
+  //   bonds are setup for the first time
+
+  if (bonds) {
+    memset(bonds[maxbond],0,(nmax-maxbond)*maxbondperatom*sizeof(OneBond));
+    memset(&numbond[maxbond],0,(nmax-maxbond)*sizeof(int));
+    maxbond = nmax;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   copy values within local atom-based arrays
+------------------------------------------------------------------------- */
+
+void FixHyperLocal::copy_arrays(int i, int j, int delflag)
+{
+  // avoid valgrind copy-to-self warning
+
+  if (i != j) memcpy(bonds[j],bonds[i],numbond[i]*sizeof(OneBond));
+  numbond[j] = numbond[i];
+}
+
+/* ----------------------------------------------------------------------
+   pack values in local atom-based array for exchange with another proc
+------------------------------------------------------------------------- */
+
+int FixHyperLocal::pack_exchange(int i, double *buf)
+{
+  int m = 1;
+  int n = numbond[i];
+  buf[m++] = ubuf(n).d;
+  for (int j = 0; j < n; j++) {
+    buf[m++] = bonds[i][j].r0;
+    buf[m++] = bonds[i][j].boostcoeff;
+    buf[m++] = ubuf(bonds[i][j].jtag).d;
+    buf[m++] = ubuf(bonds[i][j].j).d;
+  }
+
+  buf[0] = m;
+  return m;
+}
+
+/* ----------------------------------------------------------------------
+   unpack values in local atom-based array from exchange with another proc
+------------------------------------------------------------------------- */
+
+int FixHyperLocal::unpack_exchange(int nlocal, double *buf)
+{
+  int m = 1;
+  int n = numbond[nlocal] = (int) ubuf(buf[m++]).i;
+  for (int j = 0; j < n; j++) {
+    bonds[nlocal][j].r0 = buf[m++];
+    bonds[nlocal][j].boostcoeff = buf[m++];
+    bonds[nlocal][j].jtag = (tagint) ubuf(buf[m++]).i;
+    bonds[nlocal][j].j = (int) ubuf(buf[m++]).i;
+  }
+
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double FixHyperLocal::compute_scalar()
+{
+  double allbias;
+  MPI_Allreduce(&mybias,&allbias,1,MPI_DOUBLE,MPI_SUM,world);
+  return allbias;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double FixHyperLocal::compute_vector(int i)
+{
+  // 23 vector outputs returned for i = 0-22
+
+  // i = 0 = # of boosted bonds on this step
+  // i = 1 = max strain of any bond on this step
+  // i = 2 = average bias potential for all bonds on this step
+  // i = 3 = ave bonds/atom on this step
+  // i = 4 = ave neighbor bonds/bond on this step
+
+  // i = 5 = fraction of steps and bonds with no bias during this run
+  // i = 6 = max drift distance of any atom during this run
+  // i = 7 = max bond length during this run
+  // i = 8 = average # of boosted bonds/step during this run
+  // i = 9 = average bias potential for all bonds during this run
+  // i = 10 = max bias potential for any bond during this run
+  // i = 11 = min bias potential for any bond during this run
+  // i = 12 = max dist from my box of any ghost atom with 
+  //          maxstain < qfactor during this run
+  // i = 13 = max dist from my box of any ghost atom with
+  //          any maxstrain during this run
+  // i = 14 = count of ghost atoms that could not be found
+  //          by any proc at any reneighbor step during this run
+  // i = 15 = count of lost bond partners during this run
+  // i = 16 = average bias coeff for lost bond partners during this run
+  // i = 17 = count of bias overlaps found during this run
+  // i = 18 = count of non-matching bias coefficients found during this run
+
+  // i = 19 = cummulative hyper time
+  // i = 20 = cummulative # of event timesteps since fix created 
+  // i = 21 = cummulative # of atoms in events since fix created
+  // i = 22 = cummulative # of new bonds formed since fix created
+
+  if (i == 0) {
+    int nboostall;
+    MPI_Allreduce(&nboost,&nboostall,1,MPI_INT,MPI_SUM,world);
+    return (double) nboostall;
+  }
+
+  if (i == 1) {
+    if (nostrainyet) return 0.0;
+    int nlocal = atom->nlocal;
+    double emax = 0.0;
+    for (int j = 0; j < nlocal; j++)
+      emax = MAX(emax,maxstrain[j]);
+    double eall;
+    MPI_Allreduce(&emax,&eall,1,MPI_DOUBLE,MPI_MAX,world);
+    return eall;
+  }
+
+  if (i == 2) {
+    if (allboost && allbonds) return allboost/allbonds * vmax;
+    return 1.0;
+  }
+
+  if (i == 3) return 1.0*allbonds/atom->natoms;
+
+  if (i == 4) {
+    int nlocal = atom->nlocal;
+    int nbonds = 0;   // BIGINT?
+    for (int j = 0; j < nlocal; j++)
+      nbonds += numbond[j];
+    int allbonds;
+    MPI_Allreduce(&nbonds,&allbonds,1,MPI_INT,MPI_SUM,world);
+    int allneigh;   // BIGINT?
+    MPI_Allreduce(&list->ipage->ndatum,&allneigh,1,MPI_INT,MPI_SUM,world);
+    double neighsperatom = allneigh/atom->natoms; 
+    double bondsperatom = 0.5*allbonds/atom->natoms;
+    return neighsperatom * bondsperatom;
+  }
+
+  if (i == 5) {
+    int allboost_running,allnobias_running;
+    MPI_Allreduce(&nboost_running,&allboost_running,1,MPI_INT,MPI_SUM,world);
+    MPI_Allreduce(&nobias_running,&allnobias_running,1,MPI_INT,MPI_SUM,world);
+    if (allboost_running) return 1.0*allnobias_running / allboost_running;
+    return 0.0;
+  }
+
+  if (i == 6) {
+    double alldriftsq;
+    MPI_Allreduce(&maxdriftsq,&alldriftsq,1,MPI_DOUBLE,MPI_MAX,world);
+    return (double) sqrt(alldriftsq);
+  }
+
+  if (i == 7) {
+    double allbondlen;
+    MPI_Allreduce(&maxbondlen,&allbondlen,1,MPI_DOUBLE,MPI_MAX,world);
+    return allbondlen;
+  }
+
+  if (i == 8) {
+    if (update->ntimestep == update->firststep) return 0.0;
+    int allboost_running;
+    MPI_Allreduce(&nboost_running,&allboost_running,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allboost_running / (update->ntimestep - update->firststep);
+  }
+
+  if (i == 9) {
+    if (update->ntimestep == update->firststep) return 0.0;
+    return sumboostcoeff * vmax / (update->ntimestep - update->firststep);
+  }
+
+  if (i == 10) {
+    double allboostcoeff;
+    MPI_Allreduce(&maxboostcoeff,&allboostcoeff,1,MPI_DOUBLE,MPI_MAX,world);
+    return allboostcoeff * vmax;
+  }
+
+  if (i == 11) {
+    double allboostcoeff;
+    MPI_Allreduce(&minboostcoeff,&allboostcoeff,1,MPI_DOUBLE,MPI_MAX,world);
+    return allboostcoeff * vmax;
+  }
+
+  if (i == 12) return rmaxever;
+  if (i == 13) return rmaxeverbig;
+
+  if (i == 14) {
+    int allghost_toofar;
+    MPI_Allreduce(&ghost_toofar,&allghost_toofar,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allghost_toofar;
+  }
+
+  if (i == 15) {
+    int alllost;
+    MPI_Allreduce(&lostbond_partner,&alllost,1,MPI_INT,MPI_SUM,world);
+    return 1.0*alllost;
+  }
+
+  if (i == 16) {
+    int alllost;
+    MPI_Allreduce(&lostbond_partner,&alllost,1,MPI_INT,MPI_SUM,world);
+    double allcoeff;
+    MPI_Allreduce(&lostbond_coeff,&allcoeff,1,MPI_DOUBLE,MPI_SUM,world);
+    if (alllost == 0) return 0;
+    return allcoeff/alllost;
+  }
+
+  if (i == 17) {
+    int allclose;
+    MPI_Allreduce(&checkbias_count,&allclose,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allclose;
+  }
+
+  if (i == 18) {
+    int allcoeff;
+    MPI_Allreduce(&checkcoeff_count,&allcoeff,1,MPI_INT,MPI_SUM,world);
+    return 1.0*allcoeff;
+  }
+
+  if (i == 19) {
+    return boosttarget * update->dt * (update->ntimestep - starttime);
+  }
+
+  if (i == 20) return (double) nevent;
+  if (i == 21) return (double) nevent_atom;
+
+  if (i == 22) {
+    int allnew;
+    MPI_Allreduce(&nnewbond,&allnew,1,MPI_INT,MPI_SUM,world);
+    return (double) 0.5*allnew;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   wrapper on compute_vector()
+   used by hyper.cpp to call FixHyper
+------------------------------------------------------------------------- */
+
+double FixHyperLocal::query(int i)
+{
+  if (i == 1) return compute_vector(19);  // cummulative hyper time
+  if (i == 2) return compute_vector(20);  // nevent
+  if (i == 3) return compute_vector(21);  // nevent_atom 
+  if (i == 4) return compute_vector(3);   // ave bonds/atom
+  if (i == 5) return compute_vector(6);   // maxdrift
+  if (i == 6) return compute_vector(7);   // maxbondlen
+  if (i == 7) return compute_vector(5);   // fraction with zero bias
+
+  // unique to local hyper
+
+  if (i == 8) return compute_vector(22);   // number of new bonds
+  if (i == 9) return 1.0*maxbondperatom;   // max bonds/atom
+  if (i == 10) return compute_vector(8);   // ave # of boosted bonds/step
+  if (i == 11) return compute_vector(9);   // ave boost coeff over all bonds
+  if (i == 12) return compute_vector(10);  // max boost cooef for any bond
+  if (i == 13) return compute_vector(11);  // max boost cooef for any bond
+  if (i == 14) return compute_vector(4);   // neighbor bonds/bond
+  if (i == 15) return compute_vector(2);   // ave boost cooef now
+  if (i == 16) return time_bondbuild;      // CPU time for bond_build calls
+  if (i == 17) return rmaxever;            // ghost atom distance for < maxstrain
+  if (i == 18) return rmaxeverbig;         // ghost atom distance for any strain
+  if (i == 19) return compute_vector(14);  // count of ghost atoms not found
+  if (i == 20) return compute_vector(15);  // count of lost bond partners
+  if (i == 21) return compute_vector(16);  // ave bias coeff of long bonds
+  if (i == 22) return compute_vector(17);  // count of bias overlaps
+  if (i == 23) return compute_vector(18);  // count of non-matching bias coeffs
+
+  error->all(FLERR,"Invalid query to fix hyper/local");
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of per-atom and per-bond arrays
+------------------------------------------------------------------------- */
+
+double FixHyperLocal::memory_usage()
+{
+  int nmax = atom->nmax;
+  double bytes = 2*nmax * sizeof(int);     // numbond, maxstrain_bondindex
+  bytes = 2*nmax * sizeof(double);         // maxstrain, maxstrain_region
+  bytes += maxbondperatom*nmax * sizeof(OneBond);      // bonds
+  bytes += 3*maxold * sizeof(double);      // xold
+  bytes += maxold * sizeof(tagint);        // tagold
+  bytes += maxold * sizeof(int);           // old2now
+  return bytes;
+}
diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h
new file mode 100644
index 0000000000..5150386929
--- /dev/null
+++ b/src/REPLICA/fix_hyper_local.h
@@ -0,0 +1,175 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(hyper/local,FixHyperLocal)
+
+#else
+
+#ifndef LMP_FIX_HYPER_LOCAL_H
+#define LMP_FIX_HYPER_LOCAL_H
+
+#include "fix_hyper.h"
+
+namespace LAMMPS_NS {
+
+class FixHyperLocal : public FixHyper {
+ public:
+  FixHyperLocal(class LAMMPS *, int, char **);
+  ~FixHyperLocal();
+  int setmask();
+  void init();
+  void init_list(int, class NeighList *);
+  void setup_pre_neighbor();
+  void setup_pre_reverse(int, int);
+  void pre_neighbor();
+  void pre_reverse(int, int);
+  void min_pre_neighbor();
+  double compute_scalar();
+  double compute_vector(int);
+  double query(int);
+
+  int pack_forward_comm(int, int *, double *, int, int *);
+  void unpack_forward_comm(int, int, double *);
+  int pack_reverse_comm(int, int, double *);
+  void unpack_reverse_comm(int, int *, double *);
+
+  void grow_arrays(int);
+  void copy_arrays(int, int, int);
+  int pack_exchange(int, double *);
+  int unpack_exchange(int, double *);
+
+  double memory_usage();
+
+  // extra methods visible to callers
+
+  void init_hyper();
+  void build_bond_list(int);
+
+ private:
+  int me;
+  double cutbond,qfactor,vmax,tequil,dcut;
+  double alpha_user;         // timescale to apply boostostat (time units)
+  double alpha;              // unitless dt/alpha_user
+  double boosttarget;        // target value of boost
+  int histoflag;
+  int lostbond,lostbond_partner;
+  double lostbond_coeff;
+  int checkbias,checkbias_every,checkbias_flag,checkbias_count;
+  int checkcoeff,checkcoeff_every,checkcoeff_flag,checkcoeff_count;
+
+  int setupflag;             // 1 during setup, 0 during run
+  int firstflag;             // set for first time bond_build takes place
+  int nostrainyet;           // 1 until maxstrain is first computed
+
+  int nboost_running,nobias_running;
+  int nbondbuild;
+  double time_bondbuild;
+  bigint starttime;
+  double sumboostcoeff;  // sum of aveboost at every timestep
+  int allbonds;          // sum of bond count on this step
+  double allboost;       // sum of boostcoeff on all bonds on this step
+
+  int nnewbond;              // running tally of number of new bonds created
+  int maxbondperatom;        // max # of bonds any atom ever has        
+  int commflag;              // flag for communication mode
+  int nevent;                // # of events that trigger bond rebuild
+  int nevent_atom;           // # of atoms that experienced an event
+  double cutbondsq,dcutsq;
+  double beta,t_hyper,invqfactorsq;
+  double mybias;
+  double maxbondlen;         // cummulative max length of any bond
+  double maxdriftsq;         // max distance any atom drifts from original pos
+  double maxboostcoeff;      // cummulative max boost coeff for any bond
+  double minboostcoeff;      // cummulative min boost coeff for any bond
+  double rmaxever,rmaxeverbig;
+  int ghost_toofar;
+
+  double timefirst,timesecond,timethird,timefourth;
+  double timefifth,timesixth,timeseventh,timetotal;
+
+  // data structs for per-atom and per-bond info
+  // all of these are for current owned and ghost atoms
+  // except list and old2now are for atom indices at time of last bond build
+
+  class NeighList *list;       // full neigh list up to Dcut distance
+                               // created only when bonds are rebuilt
+
+  int *old2now;                // o2n[i] = current local index of old atom i
+                               //   stored for old owned and ghost atoms
+                               //   I = old index when bonds were last created
+                               //   old indices are stored in old neighbor list
+
+  double **xold;               // coords of owned+ghost atoms when bonds created
+  tagint *tagold;              // global IDs of owned+ghost atoms when b created
+             
+  int maxold;                  // allocated size of old2now
+  int maxbond;                 // allocated size of bonds
+  int old_nall;                // nlocal+nghost when old2now was last setup
+
+  struct OneBond {             // single IJ bond, atom I is owner
+    double r0;                 // original relaxed bond length
+    double boostcoeff;         // boost coefficient
+    tagint jtag;               // global index of J atom in bond IJ
+    int j;                     // local index of J atom in bond IJ
+  };
+
+  struct OneBond **bonds;      // 2d array of bonds for owned atoms
+  int *numbond;                // number of bonds for each owned atom
+
+  double *maxstrain;           // max-strain of any bond atom I is part of
+                               //   for owned and ghost atoms
+  double *maxstrain_region;    // max-strain of any neighbor atom J of atom I
+                               //   for owned and ghost atoms
+  int *maxstrain_bondindex;    // index of max-strain bond of each atom I
+                               //   just for owned atoms
+  tagint *biasflag;            // atoms in biased bonds marked with bond partner
+                               //   for owned and ghost atoms
+
+  // list of boosted bonds that this proc will bias
+
+  int maxboost;                // allocated size of boost list
+  int nboost;                  // # of boosted bonds I own
+  int *boost;                  // index of atom I in each boosted bond
+
+  // histogramming of bond boost cooeficients
+
+  int histo_flag,histo_every,histo_count,histo_print,histo_steps;
+  double histo_delta,invhisto_delta,histo_lo;
+  bigint *histo,*allhisto;
+
+  // DEBUG: MPI data struct for finding min/max bias coeffs via Allreduce
+
+  struct Two {
+    double value;
+    int proc;
+  };
+  Two pairme,pairall;
+
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+*/
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
new file mode 100644
index 0000000000..0449943215
--- /dev/null
+++ b/src/REPLICA/hyper.cpp
@@ -0,0 +1,548 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include <math.h>
+#include <stdlib.h>
+#include <string.h>
+#include "hyper.h"
+#include "update.h"
+#include "atom.h"
+#include "domain.h"
+#include "region.h"
+#include "integrate.h"
+#include "min.h"
+#include "force.h"
+#include "neighbor.h"
+#include "modify.h"
+#include "compute_event_displace.h"
+#include "fix_hyper.h"
+#include "fix_event_hyper.h"
+#include "output.h"
+#include "dump.h"
+#include "finish.h"
+#include "timer.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+enum{NOHYPER,GLOBAL,LOCAL};
+
+/* ---------------------------------------------------------------------- */
+
+Hyper::Hyper(LAMMPS *lmp) : Pointers(lmp) {}
+
+/* ----------------------------------------------------------------------
+   perform hyperdynamics simulation
+------------------------------------------------------------------------- */
+
+void Hyper::command(int narg, char **arg)
+{
+  MPI_Comm_rank(world,&me);
+  MPI_Comm_size(world,&nprocs);
+
+  // error checks
+
+  if (domain->box_exist == 0)
+    error->all(FLERR,"Hyper command before simulation box is defined");
+
+  if (narg < 4) error->all(FLERR,"Illegal hyper command");
+
+  int nsteps = force->inumeric(FLERR,arg[0]);
+  t_event = force->inumeric(FLERR,arg[1]);
+
+  char *id_fix = new char[strlen(arg[2])+1];
+  strcpy(id_fix,arg[2]);
+
+  char *id_compute = new char[strlen(arg[3])+1];
+  strcpy(id_compute,arg[3]);
+
+  options(narg-4,&arg[4]);
+
+  // total # of timesteps must be multiple of t_event
+
+  if (t_event <= 0) 
+    error->all(FLERR,"Invalid t_event in hyper command");
+  if (nsteps % t_event)
+    error->all(FLERR,"Hyper nsteps must be multiple of t_event");
+  if (rebond < 0)
+    error->all(FLERR,"Invalid rebond in hyper command");
+  if (rebond && rebond % t_event)
+    error->all(FLERR,"Hyper rebond must be multiple of t_event");
+
+  // FixHyper class performs global or local hyperdynamics
+
+  int hyperenable,hyperstyle;
+
+  if (strcmp(id_fix,"NULL") == 0) {
+    hyperenable = 0;
+    hyperstyle = NOHYPER;
+  } else {
+    int ifix = modify->find_fix(id_fix);
+    if (ifix < 0) error->all(FLERR,"Could not find fix ID for hyper");
+    fix_hyper = (FixHyper *) modify->fix[ifix];
+    int dim;
+    int *hyperflag = (int *) fix_hyper->extract("hyperflag",dim);
+    if (hyperflag == NULL || *hyperflag == 0)
+      error->all(FLERR,"Hyper fix is not a valid hyperdynamics fix");
+    if (*hyperflag == 1) hyperstyle = GLOBAL;
+    if (*hyperflag == 2) hyperstyle = LOCAL;
+    hyperenable = 1;
+  }
+
+  // create FixEventHyper class to store event and pre-quench states
+
+  char **args = new char*[3];
+  args[0] = (char *) "hyper_event";
+  args[1] = (char *) "all";
+  args[2] = (char *) "EVENT/HYPER";
+  modify->add_fix(3,args);
+  fix_event = (FixEventHyper *) modify->fix[modify->nfix-1];
+  delete [] args;
+
+  // create Finish for timing output
+
+  finish = new Finish(lmp);
+
+  // assign FixEventHyper to event-detection compute
+  // necessary so it will know atom coords at last event
+
+  int icompute = modify->find_compute(id_compute);
+  if (icompute < 0) error->all(FLERR,"Could not find compute ID for hyper");
+  compute_event = (ComputeEventDisplace *) modify->compute[icompute];
+  compute_event->reset_extra_compute_fix("hyper_event");
+
+  // reset reneighboring criteria since will perform minimizations
+
+  neigh_every = neighbor->every;
+  neigh_delay = neighbor->delay;
+  neigh_dist_check = neighbor->dist_check;
+
+  if (neigh_every != 1 || neigh_delay != 0 || neigh_dist_check != 1) {
+    if (me == 0)
+      error->warning(FLERR,"Resetting reneighboring criteria during hyper");
+  }
+
+  neighbor->every = 1;
+  neighbor->delay = 0;
+  neighbor->dist_check = 1;
+
+  // initialize hyper as if one long dynamics run
+
+  update->whichflag = 1;
+  update->nsteps = nsteps;
+  update->beginstep = update->firststep = update->ntimestep;
+  update->endstep = update->laststep = update->firststep + nsteps;
+  if (update->laststep < 0)
+    error->all(FLERR,"Too many timesteps");
+
+  lmp->init();
+
+  // init minimizer settings and minimizer itself
+
+  update->etol = etol;
+  update->ftol = ftol;
+  update->max_eval = maxeval;
+
+  // cannot use hyper with a changing box
+  // removing this restriction would require saving/restoring box params
+
+  if (domain->box_change)
+    error->all(FLERR,"Cannot use hyper with a changing box");
+
+  // cannot use hyper with time-dependent fixes or regions
+
+  for (int i = 0; i < modify->nfix; i++)
+    if (modify->fix[i]->time_depend)
+      error->all(FLERR,"Cannot use hyper with a time-dependent fix defined");
+
+  for (int i = 0; i < domain->nregion; i++)
+    if (domain->regions[i]->dynamic_check())
+      error->all(FLERR,"Cannot use hyper with a time-dependent region defined");
+
+  // perform hyperdynamics simulation
+
+  timer->init();
+  timer->barrier_start();
+  time_start = timer->get_wall(Timer::TOTAL);
+
+  nbuild = ndanger = 0;
+  time_dynamics = time_quench = 0.0;
+  double clock = 0.0;
+
+  if (hyperenable) fix_hyper->init_hyper();
+
+  timer->barrier_start();
+  time_start = timer->get_wall(Timer::TOTAL);
+
+  // perform initial minimization and bond list creation
+
+  int nevent = 0;
+  int nevent_atoms = 0;
+
+  fix_event->store_state_quench();
+  quench(1);
+  if (dumpflag)
+    for (int idump = 0; idump < ndump; idump++)
+      output->dump[dumplist[idump]]->write();
+  fix_event->store_event();
+  if (hyperenable) fix_hyper->build_bond_list(0);
+  fix_event->restore_state_quench();
+
+  // main loop: dynamics, store state, quench, check event, restore state
+
+  int ecount;
+  int istep = 0;
+
+  while (istep < nsteps) {
+    dynamics(t_event,time_dynamics);
+    fix_event->store_state_quench();
+    quench(0);
+    
+    ecount = compute_event->all_events();
+
+    if (ecount) {
+      nevent++;
+      nevent_atoms += ecount;
+
+      if (dumpflag)
+        for (int idump = 0; idump < ndump; idump++)
+          output->dump[dumplist[idump]]->write();
+      fix_event->store_event();
+      if (hyperenable) fix_hyper->build_bond_list(ecount);
+
+    } else if (rebond && update->ntimestep % rebond == 0) {
+      fix_event->store_event();
+      if (hyperenable) fix_hyper->build_bond_list(ecount);
+    }
+    
+    fix_event->restore_state_quench();
+
+    // NOTE: replace clock with hypertime
+    //clock = clock + t_event*universe->nworlds;
+    if (stepmode == 0) istep = update->ntimestep - update->beginstep;
+    else istep = clock;
+  }
+
+  if (stepmode) nsteps = update->ntimestep - update->beginstep;
+
+  // set total timers and counters so Finish() will process them
+
+  timer->set_wall(Timer::TOTAL,time_start);
+  timer->barrier_stop();
+
+  timer->set_wall(Timer::DYNAMICS,time_dynamics);
+  timer->set_wall(Timer::QUENCH,time_quench);
+
+  neighbor->ncalls = nbuild;
+  neighbor->ndanger = ndanger;
+
+  update->nsteps = nsteps;
+
+  if (me == 0) {
+    if (screen) fprintf(screen,"Final hyper stats ...\n\n");
+    if (logfile) fprintf(logfile,"Final hyper stats ...\n\n");
+  }
+
+  // subset of quantities also available in fix hyper output
+
+  int nevent_running = 0;
+  int nevent_atoms_running = 0;
+  double t_hyper = 0.0;
+  double avebonds = 0.0;
+  double maxdrift = 0.0;
+  double maxbondlen = 0.0;
+  double fraczero = 1.0;
+
+  double nnewbond,avenboost,aveboostcoeff,maxboostcoeff,minboostcoeff;
+  double maxbondperatom,neighbondperbond,aveboostnow;
+  double tbondbuild,rmaxever,rmaxeverbig,allghost_toofar;
+  double lostbond,lostbondcoeff,biasoverlap,nonmatchbiascoeff;
+
+  if (hyperenable) {
+    t_hyper = fix_hyper->query(1);
+    nevent_running = fix_hyper->query(2);
+    nevent_atoms_running = fix_hyper->query(3);
+    avebonds = fix_hyper->query(4);
+    maxdrift = fix_hyper->query(5);
+    maxbondlen = fix_hyper->query(6);
+    fraczero = fix_hyper->query(7);
+
+    if (hyperstyle == LOCAL) {
+      nnewbond = fix_hyper->query(8);
+      maxbondperatom = fix_hyper->query(9);
+      avenboost = fix_hyper->query(10);
+      aveboostcoeff = fix_hyper->query(11);
+      maxboostcoeff = fix_hyper->query(12);
+      minboostcoeff = fix_hyper->query(13);
+      neighbondperbond = fix_hyper->query(14);
+      aveboostnow = fix_hyper->query(15);
+      tbondbuild = fix_hyper->query(16);
+      rmaxever = fix_hyper->query(17);
+      rmaxeverbig = fix_hyper->query(18);
+      allghost_toofar = fix_hyper->query(19);
+      lostbond = fix_hyper->query(20);
+      lostbondcoeff = fix_hyper->query(21);
+      biasoverlap = fix_hyper->query(22);
+      nonmatchbiascoeff = fix_hyper->query(23);
+    }
+  }
+
+  if (me == 0) {
+    if (screen) {
+      fprintf(screen,"Cummulative quantities for fix hyper:\n");
+      fprintf(screen,"  hyper time = %g\n",t_hyper);
+      fprintf(screen,"  event timesteps = %d\n",nevent_running);
+      fprintf(screen,"  # of atoms in events = %d\n",nevent_atoms_running);
+      fprintf(screen,"Quantities for this hyper run:\n");
+      fprintf(screen,"  event timesteps = %d\n",nevent);
+      fprintf(screen,"  # of atoms in events = %d\n",nevent_atoms);
+      fprintf(screen,"  max length of any bond = %g\n",maxbondlen);
+      fprintf(screen,"  max drift distance of any atom = %g\n",maxdrift);
+      fprintf(screen,"  fraction of steps & bonds with zero bias = %g\n",
+              fraczero);
+      fprintf(screen,"Current quantities:\n");
+      fprintf(screen,"  ave bonds/atom = %g\n",avebonds);
+
+      if (hyperstyle == LOCAL) {
+        fprintf(screen,"Cummulative quantities specific to fix hyper/local:\n");
+        fprintf(screen,"  # of new bonds formed = %g\n",nnewbond);
+        fprintf(screen,"  max bonds/atom = %g\n",maxbondperatom);
+        fprintf(screen,"Quantities for this hyper run specific to "
+                "fix hyper/local:\n");
+        fprintf(screen,"  ave boosted bonds/step = %g\n",avenboost);
+        fprintf(screen,"  ave boost coeff of all bonds = %g\n",aveboostcoeff);
+        fprintf(screen,"  max boost coeff of any bond = %g\n",maxboostcoeff);
+        fprintf(screen,"  min boost coeff of any bond = %g\n",minboostcoeff);
+        fprintf(screen,"  max dist from my box of any "
+                "non-maxstrain bond ghost atom = %g\n",rmaxever);
+        fprintf(screen,"  max dist from my box of any bond ghost atom = %g\n",
+                rmaxeverbig);
+        fprintf(screen,"  count of bond ghost neighbors "
+                "not found on reneighbor steps = %g\n",allghost_toofar);
+        fprintf(screen,"  lost bond partners = %g\n",lostbond);
+        fprintf(screen,"  ave bias coeff for lost bond partners = %g\n",
+                lostbondcoeff);
+        fprintf(screen,"  bias overlaps = %g\n",biasoverlap);
+        fprintf(screen,"  non-matching bias coeffs = %g\n",nonmatchbiascoeff);
+        fprintf(screen,"  CPU time for bond builds = %g\n",tbondbuild);
+        fprintf(screen,"Current quantities specific to fix hyper/local:\n");
+        fprintf(screen,"  neighbor bonds/bond = %g\n",neighbondperbond);
+        fprintf(screen,"  ave boost coeff for all bonds = %g\n",aveboostnow);
+      }
+      fprintf(screen,"\n");
+    }
+
+    if (logfile) {
+      fprintf(logfile,"Cummulative quantities for fix hyper:\n");
+      fprintf(logfile,"  hyper time = %g\n",t_hyper);
+      fprintf(logfile,"  event timesteps = %d\n",nevent_running);
+      fprintf(logfile,"  # of atoms in events = %d\n",nevent_atoms_running);
+      fprintf(logfile,"Quantities for this hyper run:\n");
+      fprintf(logfile,"  event timesteps = %d\n",nevent);
+      fprintf(logfile,"  # of atoms in events = %d\n",nevent_atoms);
+      fprintf(logfile,"  max length of any bond = %g\n",maxbondlen);
+      fprintf(logfile,"  max drift distance of any atom = %g\n",maxdrift);
+      fprintf(logfile,"  fraction of steps & bonds with zero bias = %g\n",
+              fraczero);
+      fprintf(logfile,"Current quantities:\n");
+      fprintf(logfile,"  ave bonds/atom = %g\n",avebonds);
+
+      if (hyperstyle == LOCAL) {
+        fprintf(logfile,"Cummulative quantities specific tofix hyper/local:\n");
+        fprintf(logfile,"  # of new bonds formed = %g\n",nnewbond);
+        fprintf(logfile,"  max bonds/atom = %g\n",maxbondperatom);
+        fprintf(logfile,"Quantities for this hyper run specific to "
+                "fix hyper/local:\n");
+        fprintf(logfile,"  ave boosted bonds/step = %g\n",avenboost);
+        fprintf(logfile,"  ave boost coeff of all bonds = %g\n",aveboostcoeff);
+        fprintf(logfile,"  max boost coeff of any bond = %g\n",maxboostcoeff);
+        fprintf(logfile,"  min boost coeff of any bond = %g\n",minboostcoeff);
+        fprintf(logfile,"  max dist from my box of any "
+                "non-maxstrain bond ghost atom = %g\n",rmaxever);
+        fprintf(logfile,"  max dist from my box of any bond ghost atom = %g\n",
+                rmaxeverbig);
+        fprintf(logfile,"  count of ghost bond neighbors "
+                "not found on reneighbor steps = %g\n",allghost_toofar);
+        fprintf(logfile,"  lost bond partners = %g\n",lostbond);
+        fprintf(logfile,"  ave bias coeff for lost bond partners = %g\n",
+                lostbondcoeff);
+        fprintf(logfile,"  bias overlaps = %g\n",biasoverlap);
+        fprintf(logfile,"  non-matching bias coeffs = %g\n",nonmatchbiascoeff);
+        fprintf(logfile,"  CPU time for bond builds = %g\n",tbondbuild);
+        fprintf(logfile,"Current quantities specific to fix hyper/local:\n");
+        fprintf(logfile,"  neighbor bonds/bond = %g\n",neighbondperbond);
+        fprintf(logfile,"  ave boost coeff for all bonds = %g\n",aveboostnow);
+      }
+      fprintf(logfile,"\n");
+    }
+  }
+
+  // timing stats
+
+  finish->end(4);
+
+  update->whichflag = 0;
+  update->firststep = update->laststep = 0;
+  update->beginstep = update->endstep = 0;
+
+  // reset reneighboring criteria
+
+  neighbor->every = neigh_every;
+  neighbor->delay = neigh_delay;
+  neighbor->dist_check = neigh_dist_check;
+
+  delete [] id_fix;
+  delete [] id_compute;
+  memory->destroy(dumplist);
+  delete finish;
+  modify->delete_fix("hyper_event");
+
+  compute_event->reset_extra_compute_fix(NULL);
+}
+
+/* ----------------------------------------------------------------------
+   short dynamics run
+------------------------------------------------------------------------- */
+
+void Hyper::dynamics(int nsteps, double &time_category)
+{
+  update->whichflag = 1;
+  update->nsteps = nsteps;
+
+  // full init works
+  // need to try partial init or setup
+
+  lmp->init();
+  update->integrate->setup(0);
+  // this may be needed if don't do full init
+  //modify->addstep_compute_all(update->ntimestep);
+  bigint ncalls = neighbor->ncalls;
+
+  timer->barrier_start();
+  update->integrate->run(nsteps);
+  timer->barrier_stop();
+  time_dynamics += timer->get_wall(Timer::TOTAL);
+
+  nbuild += neighbor->ncalls - ncalls;
+  ndanger += neighbor->ndanger;
+
+  update->integrate->cleanup();
+  finish->end(0);
+}
+
+/* ----------------------------------------------------------------------
+   quench minimization
+   flag = 1 to trigger output of memory in setup() call
+------------------------------------------------------------------------- */
+
+void Hyper::quench(int flag)
+{
+  bigint ntimestep_hold = update->ntimestep;
+  bigint endstep_hold = update->endstep;
+
+  // need to change whichflag so that minimize->setup() calling
+  // modify->setup() will call fix->min_setup()
+
+  update->whichflag = 2;
+  update->nsteps = maxiter;
+  update->endstep = update->laststep = update->firststep + maxiter;
+  if (update->laststep < 0)
+    error->all(FLERR,"Too many iterations");
+  update->restrict_output = 1;
+
+  // full init works
+
+  lmp->init();
+  update->minimize->setup(flag);
+
+  // partial init does not work
+
+  //modify->addstep_compute_all(update->ntimestep);
+  //update->minimize->setup_minimal(1);
+
+  // NOTE: what doing with ncalls?
+  int ncalls = neighbor->ncalls;
+
+  timer->barrier_start();
+  update->minimize->run(maxiter);
+  timer->barrier_stop();
+  time_quench += timer->get_wall(Timer::TOTAL);
+
+  update->minimize->cleanup();
+  finish->end(0);
+
+  // reset timestep as if quench did not occur
+  // clear timestep storage from computes, since now invalid
+
+  update->restrict_output = 0;
+  update->ntimestep = ntimestep_hold;
+  update->endstep = update->laststep = endstep_hold;
+  for (int i = 0; i < modify->ncompute; i++)
+    if (modify->compute[i]->timeflag) modify->compute[i]->clearstep();
+}
+
+/* ----------------------------------------------------------------------
+   parse optional parameters at end of hyper input line
+------------------------------------------------------------------------- */
+
+void Hyper::options(int narg, char **arg)
+{
+  // set defaults
+
+  etol = 1.0e-4;
+  ftol = 1.0e-4;
+  maxiter = 40;
+  maxeval = 50;
+  stepmode = 0;
+  dumpflag = 0;
+  ndump = 0;
+  dumplist = NULL;
+  rebond = 0;
+
+  int iarg = 0;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"min") == 0) {
+      if (iarg+5 > narg) error->all(FLERR,"Illegal hyper command");
+      etol = force->numeric(FLERR,arg[iarg+1]);
+      ftol = force->numeric(FLERR,arg[iarg+2]);
+      maxiter = force->inumeric(FLERR,arg[iarg+3]);
+      maxeval = force->inumeric(FLERR,arg[iarg+4]);
+      if (maxiter < 0) error->all(FLERR,"Illegal hyper command");
+      iarg += 5;
+
+    } else if (strcmp(arg[iarg],"time") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
+      if (strcmp(arg[iarg+1],"steps") == 0) stepmode = 0;
+      else if (strcmp(arg[iarg+1],"clock") == 0) stepmode = 1;
+      else error->all(FLERR,"Illegal hyper command");
+      iarg += 2;
+
+    } else if (strcmp(arg[iarg],"dump") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
+      dumpflag = 1;
+      int idump = output->find_dump(arg[iarg+1]);
+      if (idump < 0) 
+        error->all(FLERR,"Dump ID in hyper command does not exist");
+      memory->grow(dumplist,ndump+1,"hyper:dumplist");
+      dumplist[ndump++] = idump;
+      iarg += 2;
+
+    } else if (strcmp(arg[iarg],"rebond") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
+      rebond = force->inumeric(FLERR,arg[iarg+1]);
+      iarg += 2;
+
+    } else error->all(FLERR,"Illegal hyper command");
+  }
+}
diff --git a/src/REPLICA/hyper.h b/src/REPLICA/hyper.h
new file mode 100644
index 0000000000..1b05172bcf
--- /dev/null
+++ b/src/REPLICA/hyper.h
@@ -0,0 +1,65 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef COMMAND_CLASS
+
+CommandStyle(hyper,Hyper)
+
+#else
+
+#ifndef LMP_HYPER_H
+#define LMP_HYPER_H
+
+#include "pointers.h"
+
+namespace LAMMPS_NS {
+
+class Hyper : protected Pointers {
+ public:
+  Hyper(class LAMMPS *);
+  ~Hyper() {}
+  void command(int, char **);
+
+ private:
+  int me,nprocs;
+  int t_event;
+  double etol,ftol;
+  int maxiter,maxeval;
+  int stepmode,dumpflag,ndump,rebond;
+  int *dumplist;
+
+  int neigh_every,neigh_delay,neigh_dist_check;
+  int quench_reneighbor;
+  bigint nbuild,ndanger;
+
+  double time_dynamics,time_quench;
+  double time_start;
+
+  class FixHyper *fix_hyper;
+  class FixEventHyper *fix_event;
+  class ComputeEventDisplace *compute_event;
+  class Finish *finish;
+
+  void dynamics(int, double &);
+  void quench(int flag);
+  void options(int, char **);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+*/

From d6631266ceb0049a6f9696fa994032c2091b47f7 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Wed, 10 Oct 2018 13:47:49 -0600
Subject: [PATCH 089/273] doc files in wrong dir

---
 doc/{ => src}/fix_hyper_global.txt | 0
 doc/{ => src}/fix_hyper_local.txt  | 0
 doc/{ => src}/hyper.txt            | 0
 3 files changed, 0 insertions(+), 0 deletions(-)
 rename doc/{ => src}/fix_hyper_global.txt (100%)
 rename doc/{ => src}/fix_hyper_local.txt (100%)
 rename doc/{ => src}/hyper.txt (100%)

diff --git a/doc/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
similarity index 100%
rename from doc/fix_hyper_global.txt
rename to doc/src/fix_hyper_global.txt
diff --git a/doc/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
similarity index 100%
rename from doc/fix_hyper_local.txt
rename to doc/src/fix_hyper_local.txt
diff --git a/doc/hyper.txt b/doc/src/hyper.txt
similarity index 100%
rename from doc/hyper.txt
rename to doc/src/hyper.txt

From 265c11dca9f8b28ca64b54b2174a0e34f80c810c Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 11 Oct 2018 08:03:03 -0600
Subject: [PATCH 090/273] more edits to hyper docs

---
 doc/src/fix_hyper_global.txt | 142 ++++++++++++++++++++-------
 doc/src/hyper.txt            | 179 ++++++++++++++++++++++++++---------
 2 files changed, 239 insertions(+), 82 deletions(-)

diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index c841f0b891..5893f392d3 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -26,59 +26,122 @@ fix 1 all hyper/global 1.0 0.3 0.8 300.0 :pre
 [Description:]
 
 This fix is meant to be used with the "hyper"_hyper.html command to
-perform a bond-boost hyperdynamics simulation.  The role of this fix
-is a select a single pair of atoms within the system at each timestep
-to add a global bias potential to, which will alter their dynamics.
+perform a bond-boost global hyperdynamics (GHD) simulation.  The role
+of this fix is to a select a single pair of atoms in the system at
+each timestep to add a global bias potential to, which will alter the
+dynamics of the system in a manner that effectively accelerates time.
 This is in contrast to the "fix hyper/local"_fix_hyper_local.html
-command, which can add a local bias potential to multiple pairs of
-atoms at each timestep.
+command, which can be user to perform a local hyperdynamics (LHD)
+simulation, by adding a local bias potential to multiple pairs of
+atoms at each timestep.  GHD can speed-up a small simulation with up
+to a few 100 atoms.  For larger systems, LHD is needed to achieve good
+speed-ups.
 
 For a system that undergoes rare transition events, where one or more
-atoms move across an energy barrier to a new potential energy basin,
-the effect of the bias potential is to induce more rapid transitions.
+atoms move over an energy barrier to a new potential energy basin, the
+effect of the bias potential is to induce more rapid transitions.
 This can lead to a dramatic speed-up in the rate at which events
 occurs, without altering their relative frequencies, thus leading to
-an overall dramatic speed-up in the effective elapsed time of the
-simulation.
+an overall increase in the elapsed real time of the simulation as
+compared to simulating for the same number of timesteps with normal
+MD.  See the "hyper"_hyper.html doc page for a more general discussion
+of hyperdynamics and citations that explain both GHD and LHD.
 
-Cite various papers.
+The equations and logic used by this fix to perform GHD are as
+follows.  This follows the description of GHD given in
+"(Voter2013)"_#Voter2013ghd.  The bond-boost form of a bias potential
+for GHD is due to Miron and Fichthorn as described in
+"(Miron)"_#Mironghd.  Here we use a simplified version of bond-boost
+GHD where a single bond is biased at any one timestep.
 
-The current strain of a bond IJ is defined as
+Bonds are defined between every pair of I,J atoms whose R0ij distance
+is less than {cutbond}, when the system is in a quenched state
+(minimum) energy.  Note that these are not "bonds" in a covalent
+sense.  A bond is simply any pair of atoms that meet the distance
+criterion.  {Cutbond} is an argument to this fix; it is discussed more
+below.
+
+The current strain of bond IJ (when running dynamics) is defined as
 
 Eij = (Rij - R0ij) / R0ij :pre
 
-Emax = is the max of the absolute value of Eij for all IJ bonds.
+where Rij is the current distance between atoms I,J, and R0ij is the
+equilibrium distance in the quenched state.
 
-dVij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < q
-     = 0  otherwise :pre
+The bias energy Vij of any bond IJ is defined as
 
-Delta Vbias = minimum of dVij for all IJ bonds :pre
+Vij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < qfactor
+    = 0 otherwise :pre
 
-The boost factor B = exp(beta * Delta Vbias)
-for a single timestep.
+where the prefactor {Vmax} and the cutoff {qfactor} are arguments to
+this fix; they are discussed more below.  This functional form is an
+inverse parabola centered at 0.0 with height Vmax and which goes to
+0.0 at +/- qfactor.
 
-Thus the accumulated hypertime is simply
+Let Emax = the maximum of abs(Eij) for all IJ bonds in the system on a
+given timestep.  On that step, Vij is added as a bias potential to
+only the two atoms IJ in the bond with strain Emax, call it Vij(max).
+Note that Vij(max) will be 0.0 if Emax >= qfactor on that timestep.
+Also note that Vij(max) is added to the normal interatomic potential
+that is computed between all atoms in the system.
 
-t_hyper = Sum (i = 1 to Nsteps) Bi * dt :pre
+The derivative of Vij(max) with respect to the position of each atom
+in the Emax bond gives a force Fij(max) acting on the bond as
+
+Fij(max) = - dVij(max)/dEij = 2 Vmax Eij / qfactor^2   for abs(Eij) < qfactor
+         = 0 otherwise :pre
+
+which can be decomposed into an equal and opposite force acting (only)
+on the two I,J atoms in the Emax bond.
+
+The boost factor in time for the system is given each timestep I by
+
+Bi = exp(beta * Vij(max)) :pre
+
+where beta = 1/kTequil, and {Tequil} is the temperature of the system
+and an arguement to this fix.  Note that Bi >= 1 at every step.
+
+NOTE: Must use langevin set to Tequil also.  LAMMPS does not
+check that you do this.
+as maintained by a thermostat for constant NVT dynamics. 
+
+The elapsed system time t_hyper for a GHD simulation running for {N}
+timesteps is simply
+
+t_hyper = Sum (i = 1 to N) Bi * dt :pre
+
+where dt is the timestep size defined by the "timestep"_timestep.html
+command.  The effective time acceleration due to GHD is thus t_hyper /
+N*dt, where the denominator is elapsed time for a normal MD run.
+
+Note that in global hyperdynamics, the boost factor varies from
+timestep to timestep.  Likewise, which bond has Emax strain and thus
+which pair of atoms the bias potential is added to, will also vary
+from timestep to timestep.
+
+:line
 
 The {cutbond} argument is the cutoff distance for defining bonds
 between pairs of nearby atoms.  A pair of atoms in their equilibrium,
-minimum-energy config, which are a distance Rij < cutbond, are
-defined as a bonded pair.
+minimum-energy config, which are a distance Rij < cutbond, are defined
+as a bonded pair.  This should normally be roughly ~25% larger than
+the nearest-neighbor distance in a crystalline lattice.
 
-The {qfactor} argument is the limiting strain at which
-the Vbias (the bias potential) goes to 0.0.
+The {qfactor} argument is the limiting strain at which the bias
+potential goes to 0.0.
 
-If {qfactor} is too big, then transitions are affected b/c
-the bias energy is non-zero at the transitions.  If it is
-too small than not must boost is achieved for a large system
-with many bonds (some bonds Eij always exceeds qfactor).
+If {qfactor} is set too large, then transitions from one energy basin
+to another are affected because the bias potneial is non-zero at the
+transitions.  If {qfactor} is set too small than little boost is
+achieved because some the Eij strain of some bond is (nearly) always
+exceeding {qfactor).  Note
 
 The {Vmax} argument is the prefactor on the bias potential.
+It should be set to a value smaller than 
 
-The {Tequil} argument is part of the beta term in the
-exponential factor that determines how much boost is
-achieved as a function of the bias potential.
+The {Tequil} argument is part of the beta term in the exponential
+factor that determines how much boost is achieved as a function of the
+bias potential.
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
@@ -96,12 +159,12 @@ the bias potential (energy units) applied on the current timestep.
 The vector stores the following quantities:
 
 1 = boost factor on this step (unitless)
-2 = max strain of any bond on this step (unitless)
+2 = max strain Eij of any bond on this step (unitless)
 3 = ID of first atom in the max-strain bond
 4 = ID of second atom in the max-strain bond
 5 = average # of bonds/atom on this step :ul
 
-6 = fraction of step with no bias during this run
+6 = fraction of steps with bias = 0.0 during this run
 7 = max drift distance of any atom during this run (distance units)
 8 = max bond length during this run (distance units) :ul
 
@@ -135,12 +198,19 @@ minimization"_minimize.html.
 
 [Restrictions:]
 
-This fix is part of the REPLICA package.  It is only enabled if LAMMPS
-was built with that package.  See the "Making
-LAMMPS"_Section_start.html#start_3 section for more info.
+This command can only be used if LAMMPS was built with the REPLICA
+package.  See the "Build package"_Build_package.html doc
+page for more info.
 
 [Related commands:]
 
-"fix hyper/local"_fix_hyper_local.html
+"hyper"_hyper.html, "fix hyper/local"_fix_hyper_local.html
 
 [Default:] None
+
+:link(Voter2013)
+[(Voter2013)] S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139,
+144110 (2013).
+
+:link(Miron)
+[(Miron)] R. A. Miron and K. A. Fichthorn, J Chem Phys, 119, 6210 (2003).
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index 966d33a30f..e862af2235 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -10,14 +10,14 @@ hyper command :h3
 
 [Syntax:]
 
-hyper N Nevent fixID computeID keyword values ... :pre
+hyper N Nevent fix-ID compute-ID keyword values ... :pre
 
 N = # of timesteps to run :ulb,l
 Nevent = check for events every this many steps :l
-fixID = ID of a fix that applies a global or local bias potential :l
-computeID = ID of a compute that identifies when an event has occurred :l
+fix-ID = ID of a fix that applies a global or local bias potential, can be NULL :l
+compute-ID = ID of a compute that identifies when an event has occurred :l
 zero or more keyword/value pairs may be appended :l
-keyword = {min} or {time} :l
+keyword = {min} or {time} or {dump} or {rebond} :l
   {min} values = etol ftol maxiter maxeval
     etol = stopping tolerance for energy, used in quenching
     ftol = stopping tolerance for force, used in quenching
@@ -25,82 +25,169 @@ keyword = {min} or {time} :l
     maxeval = max number of force/energy evaluations, used in quenching
   {time} value = {steps} or {clock}
     {steps} = simulation runs for N timesteps (default)
-    {clock} = simulation runs until hyper time exceeds N timesteps :pre
+    {clock} = simulation runs until hyper time exceeds N timesteps
+  {dump} value = dump-ID
+    dump-ID = ID of dump to trigger whenever an event takes place
+  {rebond} value = Nrebond
+    Nrebond = frequency at which to reset bonds, even if no event has occurred
+ :pre
 :ule
 
 [Examples:]
 
-hyper 5000 100 global event :pre
+compute event all event/displace 1.0
+fix HG mobile hyper/global 3.0 0.3 0.4 800.0
+hyper 5000 100 HG event min 1.0e-6 1.0e-6 100 100 dump 1 dump 5 :pre
 
 [Description:]
 
 Run a bond-boost hyperdynamics (HD) simulation where time is
-accelerated by application of a bias potential to a one or more pairs
-of atoms in the system.  This command can be used to run both global
-and local hyperdyamics.  In global HD a single bond (nearby pair of
-atoms) within the system is biased on a given timestep.  In local HD
-multiple bonds (separated by a sufficient distance) can be biased
-simultaneously at each timestep.
+accelerated by application of a bias potential to one or more pairs of
+nearby atoms in the system.  This command can be used to run both
+global and local hyperdyamics.  In global HD a single bond within the
+system is biased on each timestep.  In local HD multiple bonds
+(separated by a sufficient distance) can be biased simultaneously at
+each timestep.  In the bond-boost hyperdynamics context, a "bond" is
+not a covalent bond between a pair of atoms in a molecule.  Rather it
+is simply a pair of nearby atoms as discussed below.
 
-Make next paragraph more HD-specific.
+Both global and local HD are described in "(Voter2013)"_#Voter2013 by
+Art Voter and collaborators.  Similar to parallel replica dynamics
+(PRD), global and local HD are methods for performing accelerated
+dynamics that are suitable for infrequent-event systems that obey
+first-order kinetics.  A good overview of accelerated dynamics methods
+for such systems in given in "(Voter2002)"_#Voter2002hd from the same
+group.  To quote from the review paper: "The dynamical evolution is
+characterized by vibrational excursions within a potential basin,
+punctuated by occasional transitions between basins."  The transition
+probability is characterized by p(t) = k*exp(-kt) where k is the rate
+constant.  Running multiple replicas gives an effective enhancement in
+the timescale spanned by the multiple simulations, while waiting for
+an event to occur.
 
-Both global and local HD are described in "this paper"_#Voter2013 by
-Art Voter and collaborators.  They are methods for performing
-accelerated dynamics that is suitable for infrequent-event systems
-that obey first-order kinetics.  A good overview of accelerated
-dynamics methods for such systems in given in "this review
-paper"_#Voter2002prd from the same group.  To quote from the paper:
-"The dynamical evolution is characterized by vibrational excursions
-within a potential basin, punctuated by occasional transitions between
-basins."  The transition probability is characterized by p(t) =
-k*exp(-kt) where k is the rate constant.  Running multiple replicas
-gives an effective enhancement in the timescale spanned by the
-multiple simulations, while waiting for an event to occur.
-
-How different than PRD.
+Both HD and PRD produce a time-accurate trajectory that effectively
+extends the timescale over which a system can be simulated, but they
+do it differently.  HD uses a single replica of the system and
+accelerates time by biasing the interaction potential in a manner such
+that each timestep is effectively longer.  PRD creates Nr replicas of
+the system and runs dynamics on each independently with a normal
+unbiased potential until an event occurs in one of the replicas.  The
+time between events is reduced by a factor of Nr replicas.  For both
+methods, per wall-clock second, more physical time elapses and more
+events occur.  See the "prd"_prd.html doc page for more info about
+PRD.
 
 An HD run has several stages, which are repeated each time an "event"
-occurs, as defined below.  The logic for a HD run is as follows:
+occurs, as explained below.  The logic for an HD run is as follows:
 
 quench
-reset list of bonds :pre
+create initial list of bonds :pre
 
 while (time remains):
-  run dynamics for Nevery steps
+  run dynamics for Nevent steps
   quench
   check for an event
   if event occurred: reset list of bonds
   restore pre-quench state :pre
 
-Explain each of the steps above.  Explain what list of bonds is and
-how event is detected.
+The list of bonds is the list of atom pairs of atoms that are within a
+short cutoff distance of each other after the system energy is
+minimized (quenched).  This list is created and reset by a "fix
+hyper/global"_fix_hyper_global.html or "fix
+hyper/local"_fix_hyper_local.html command specified as {fix-ID}.  At
+every dynamics timestep, the same fix selects one of more bonds to
+apply a bias potential to.
 
-Explain the specified fix and compute.
+IMPORTANT NOTE: The style of fix associated with the specified
+{fix-ID} determines whether you are running the global versus local
+hyperdynamics algorithm.
 
-Statistics about the number of events, the number of bonds that a bias
-potential is applied to, the accumulated hyper time, etc are stored by
-the fix and can be output with thermodynamic output.
+Dynamics (with the bias potential) is run continuously, stopping every
+{Nevent} steps to check if a transition event has occurred.  The
+specified {N} for total steps must be a multiple of {Nevent}.  check
+is performed by quenching the system and comparing the resulting atom
+coordinates to the coordinates from the previous basin.
+
+A quench is an energy minimization and is performed by whichever
+algorithm has been defined by the "min_style"_min_style.html command.
+Minimization parameters may be set via the
+"min_modify"_min_modify.html command and by the {min} keyword of the
+hyper command.  The latter are the settings that would be used with
+the "minimize"_minimize.html command.  Note that typically, you do not
+need to perform a highly-converged minimization to detect a transition
+event, though you may need to in order to prevent a set of atoms in
+the system from relaxing to a saddle point.
+
+The event check is performed by a compute with the specified
+{compute-ID}.  Currently there is only one compute that works with the
+hyper command, which is the "compute
+event/displace"_compute_event_displace.html command.  Other
+event-checking computes may be added.  "Compute
+event/displace"_compute_event_displace.html checks whether any atom in
+the compute group has moved further than a specified threshold
+distance.  If so, an "event" has occurred.
+
+If this happens, the list of bonds is reset, since some bond pairs
+are likely now too far apart, and new pairs are likely close enough
+to be considered a bond.  The pre-quenched state of the
+system (coordinates and velocities) is restored, and dynamics continue.
+
+At the end of the hyper run, a variety of statistics are output to the
+screen and logfile.  These include info relevant to both global and
+local hyperdynamics, such as the number of events and the elapsed
+hyper time (acclerated time), And it includes info specific to one or
+the other, depending on which style of fix was specified by {fix-ID}.
+
+:line
+
+The optional keywords operate as follows.
+
+As explained above, the {min} keyword can be used to specify
+parameters for the quench.  Their meaning is the same
+as for the "minimize"_minimize.html command
+
+The {time} keyword determines how the {N} timesteps argument is
+interpreted.  If {time} is set to {steps}, then hyperdynamics is run
+for {N} timesteps.  If the time acceleration provided by the bias
+potential is 10x, then that is the same as running a normal (unbiased)
+MD simulation for 10N steps.  If {time} is set to {clock}, then
+hyperdynamics would run for N/10 steps, since that would correspond to
+an elapsed real time of N*dt.
+
+The {dump} keyword can be used to trigger a specific dump command with
+the specified {dump-ID} to output a snapshot each time an event is
+detected.  It can be specified multiple times with different {dump-ID}
+values, as in the example above.  These snapshots will be for the
+quenched state of the system on a timestep that is a multiple of
+{Nevent}, i.e. a timestep after the event has occurred.  Note that any
+dump command in the input script will also output snapshots at
+whatever timestep interval it defines via its {N} argument; see the
+"dump"_dump.html command for details.  This means if you only want a
+particular dump to output snapshots when events are detected, you
+should specify its {N} as a value larger than the length of the
+hyperdynamics run.
+
+As in the code logic above, the bond list is normally only reset when
+an event occurs.  The {rebond} keyword will force a reset of the bond
+list every {Nrebond} steps, even if an event has not occurred.
+{Nrebond} must be a multiple of {Nevent}.  This can be useful to check
+if more frequent resets alter event statistics, perhaps because the
+parameters chosen for defining what is a bond and what is an event are
+producing bad dynamics in the presence of the bias potential.
 
 :line
 
 [Restrictions:]
 
 This command can only be used if LAMMPS was built with the REPLICA
-package.  See the "Making LAMMPS"_Section_start.html#start_3 section
-for more info on packages.
-
-NOTE: is this true?
-This command cannot be used when any fixes are defined that keep track
-of elapsed time to perform time-dependent operations.  Examples
-include the "ave" fixes such as "fix ave/chunk"_fix_ave_chunk.html.
-Also "fix dt/reset"_fix_dt_reset.html and "fix
-deposit"_fix_deposit.html.
+package.  See the "Build package"_Build_package.html doc
+page for more info.
 
 [Related commands:]
 
 "fix hyper/global"_fix_hyper_global.html, "fix
 hyper/local"_fix_hyper_local.html, "compute
-event/displace"_compute_event_displace.html
+event/displace"_compute_event_displace.html, "prd"_prd.html
 
 [Default:]
 

From 56598fcd0bcd59a5d40328c6414e27da40b75c23 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 11 Oct 2018 08:29:25 -0600
Subject: [PATCH 091/273] changes to prd command doc page

---
 doc/src/prd.txt | 50 +++++++++++++++++++++++++++++++------------------
 1 file changed, 32 insertions(+), 18 deletions(-)

diff --git a/doc/src/prd.txt b/doc/src/prd.txt
index f71f285336..43c0d309c8 100644
--- a/doc/src/prd.txt
+++ b/doc/src/prd.txt
@@ -48,11 +48,12 @@ replicas of a system.  One or more replicas can be used.  The total
 number of steps {N} to run can be interpreted in one of two ways; see
 discussion of the {time} keyword below.
 
-PRD is described in "this paper"_#Voter1998 by Art Voter.  It is a method
-for performing accelerated dynamics that is suitable for
-infrequent-event systems that obey first-order kinetics.  A good
-overview of accelerated dynamics methods for such systems in given in
-"this review paper"_#Voter2002prd from the same group.  To quote from the
+PRD is described in "(Voter1998)"_#Voter1998 by Art Voter.  Similar to
+global or local hyperdynamics (HD), PRD is a method for performing
+accelerated dynamics that is suitable for infrequent-event systems
+that obey first-order kinetics.  A good overview of accelerated
+dynamics methods for such systems in given in this review paper
+"(Voter2002)"_#Voter2002prd from Art's group.  To quote from the
 paper: "The dynamical evolution is characterized by vibrational
 excursions within a potential basin, punctuated by occasional
 transitions between basins."  The transition probability is
@@ -61,15 +62,27 @@ Running multiple replicas gives an effective enhancement in the
 timescale spanned by the multiple simulations, while waiting for an
 event to occur.
 
-Each replica runs on a partition of one or more processors.  Processor
-partitions are defined at run-time using the "-partition command-line
-switch"_Run_options.html.  Note that if you have MPI installed, you
-can run a multi-replica simulation with more replicas (partitions)
-than you have physical processors, e.g you can run a 10-replica
-simulation on one or two processors.  However for PRD, this makes
-little sense, since running a replica on virtual instead of physical
-processors,offers no effective parallel speed-up in searching for
-infrequent events.  See the "Howto replica"_Howto_replica.html doc
+Both PRD and HD produce a time-accurate trajectory that effectively
+extends the timescale over which a system can be simulated, but they
+do it differently.  PRD creates Nr replicas of the system and runs
+dynamics on each independently with a normal unbiased potential until
+an event occurs in one of the replicas.  The time between events is
+reduced by a factor of Nr replicas.  HD uses a single replica of the
+system and accelerates time by biasing the interaction potential in a
+manner such that each timestep is effectively longer.  For both
+methods, per wall-clock second, more physical time elapses and more
+events occur.  See the "hyper"_hyper.html doc page for more info about
+HD.
+
+In PRD, each replica runs on a partition of one or more processors.
+Processor partitions are defined at run-time using the "-partition
+command-line switch"_Run_options.html.  Note that if you have MPI
+installed, you can run a multi-replica simulation with more replicas
+(partitions) than you have physical processors, e.g you can run a
+10-replica simulation on one or two processors.  However for PRD, this
+makes little sense, since running a replica on virtual instead of
+physical processors,offers no effective parallel speed-up in searching
+for infrequent events.  See the "Howto replica"_Howto_replica.html doc
 page for further discussion.
 
 When a PRD simulation is performed, it is assumed that each replica is
@@ -78,8 +91,8 @@ I.e. the simulation domain, the number of atoms, the interaction
 potentials, etc should be the same for every replica.
 
 A PRD run has several stages, which are repeated each time an "event"
-occurs in one of the replicas, as defined below.  The logic for a PRD
-run is as follows:
+occurs in one of the replicas, as explained below.  The logic for a
+PRD run is as follows:
 
 while (time remains):
   dephase for n_dephase*t_dephase steps
@@ -129,7 +142,8 @@ Minimization parameters may be set via the
 PRD command.  The latter are the settings that would be used with the
 "minimize"_minimize.html command.  Note that typically, you do not
 need to perform a highly-converged minimization to detect a transition
-event.
+event, though you may need to in order to prevent a set of atoms in
+the system from relaxing to a saddle point.
 
 The event check is performed by a compute with the specified
 {compute-ID}.  Currently there is only one compute that works with the
@@ -307,7 +321,7 @@ deposit"_fix_deposit.html.
 "min_modify"_min_modify.html, "min_style"_min_style.html,
 "run_style"_run_style.html, "minimize"_minimize.html,
 "velocity"_velocity.html, "temper"_temper.html, "neb"_neb.html,
-"tad"_tad.html
+"tad"_tad.html, "hyper"_hyper.html
 
 [Default:]
 

From 4a6f088c0bb63c98776c5bc5cb3590073efe954d Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 11 Oct 2018 11:25:19 -0600
Subject: [PATCH 092/273] updates to hyper doc pages

---
 doc/src/fix_hyper_global.txt | 154 +++++++++++++++++++++--------------
 doc/src/fix_hyper_local.txt  | 141 ++++++++++++++++++++++----------
 2 files changed, 192 insertions(+), 103 deletions(-)

diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index 5893f392d3..cd66f5585d 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -33,9 +33,9 @@ dynamics of the system in a manner that effectively accelerates time.
 This is in contrast to the "fix hyper/local"_fix_hyper_local.html
 command, which can be user to perform a local hyperdynamics (LHD)
 simulation, by adding a local bias potential to multiple pairs of
-atoms at each timestep.  GHD can speed-up a small simulation with up
-to a few 100 atoms.  For larger systems, LHD is needed to achieve good
-speed-ups.
+atoms at each timestep.  GHD can time accelerate a small simulation
+with up to a few 100 atoms.  For larger systems, LHD is needed to
+achieve good time acceleration.
 
 For a system that undergoes rare transition events, where one or more
 atoms move over an energy barrier to a new potential energy basin, the
@@ -43,23 +43,24 @@ effect of the bias potential is to induce more rapid transitions.
 This can lead to a dramatic speed-up in the rate at which events
 occurs, without altering their relative frequencies, thus leading to
 an overall increase in the elapsed real time of the simulation as
-compared to simulating for the same number of timesteps with normal
-MD.  See the "hyper"_hyper.html doc page for a more general discussion
-of hyperdynamics and citations that explain both GHD and LHD.
+compared to running for the same number of timesteps with normal MD.
+See the "hyper"_hyper.html doc page for a more general discussion of
+hyperdynamics and citations that explain both GHD and LHD.
 
-The equations and logic used by this fix to perform GHD are as
-follows.  This follows the description of GHD given in
-"(Voter2013)"_#Voter2013ghd.  The bond-boost form of a bias potential
-for GHD is due to Miron and Fichthorn as described in
-"(Miron)"_#Mironghd.  Here we use a simplified version of bond-boost
-GHD where a single bond is biased at any one timestep.
+The equations and logic used by this fix to perform GHD follow the
+description given in "(Voter2013)"_#Voter2013ghd.  The bond-boost form
+of a bias potential for HD is due to Miron and Fichthorn as described
+in "(Miron)"_#Mironghd.  In LAMMPS we use a simplified version of
+bond-boost GHD where a single bond in the system is biased at any one
+timestep.
 
-Bonds are defined between every pair of I,J atoms whose R0ij distance
+Bonds are defined between each pair of I,J atoms whose R0ij distance
 is less than {cutbond}, when the system is in a quenched state
 (minimum) energy.  Note that these are not "bonds" in a covalent
 sense.  A bond is simply any pair of atoms that meet the distance
-criterion.  {Cutbond} is an argument to this fix; it is discussed more
-below.
+criterion.  {Cutbond} is an argument to this fix; it is discussed
+below.  A bond is only formed if one or both of the I.J atoms are in
+the specified group.
 
 The current strain of bond IJ (when running dynamics) is defined as
 
@@ -74,16 +75,16 @@ Vij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < qfactor
     = 0 otherwise :pre
 
 where the prefactor {Vmax} and the cutoff {qfactor} are arguments to
-this fix; they are discussed more below.  This functional form is an
+this fix; they are discussed below.  This functional form is an
 inverse parabola centered at 0.0 with height Vmax and which goes to
 0.0 at +/- qfactor.
 
 Let Emax = the maximum of abs(Eij) for all IJ bonds in the system on a
 given timestep.  On that step, Vij is added as a bias potential to
-only the two atoms IJ in the bond with strain Emax, call it Vij(max).
-Note that Vij(max) will be 0.0 if Emax >= qfactor on that timestep.
-Also note that Vij(max) is added to the normal interatomic potential
-that is computed between all atoms in the system.
+only the single bond with strain Emax, call it Vij(max).  Note that
+Vij(max) will be 0.0 if Emax >= qfactor on that timestep.  Also note
+that Vij(max) is added to the normal interatomic potential that is
+computed between all atoms in the system at every step.
 
 The derivative of Vij(max) with respect to the position of each atom
 in the Emax bond gives a force Fij(max) acting on the bond as
@@ -91,19 +92,21 @@ in the Emax bond gives a force Fij(max) acting on the bond as
 Fij(max) = - dVij(max)/dEij = 2 Vmax Eij / qfactor^2   for abs(Eij) < qfactor
          = 0 otherwise :pre
 
-which can be decomposed into an equal and opposite force acting (only)
-on the two I,J atoms in the Emax bond.
+which can be decomposed into an equal and opposite force acting on
+only the two I,J atoms in the Emax bond.
 
-The boost factor in time for the system is given each timestep I by
+The time boost factor for the system is given each timestep I by
 
 Bi = exp(beta * Vij(max)) :pre
 
 where beta = 1/kTequil, and {Tequil} is the temperature of the system
 and an arguement to this fix.  Note that Bi >= 1 at every step.
 
-NOTE: Must use langevin set to Tequil also.  LAMMPS does not
-check that you do this.
-as maintained by a thermostat for constant NVT dynamics. 
+NOTE: To run GHD, the input script must also use the "fix
+langevin"_fix_langevin.html command to thermostat the atoms at the
+same {Tequil} as specified by this fix, so that the system is running
+constant-temperature (NVT) dynamics.  LAMMPS does not check that this
+is done.
 
 The elapsed system time t_hyper for a GHD simulation running for {N}
 timesteps is simply
@@ -114,34 +117,59 @@ where dt is the timestep size defined by the "timestep"_timestep.html
 command.  The effective time acceleration due to GHD is thus t_hyper /
 N*dt, where the denominator is elapsed time for a normal MD run.
 
-Note that in global hyperdynamics, the boost factor varies from
-timestep to timestep.  Likewise, which bond has Emax strain and thus
-which pair of atoms the bias potential is added to, will also vary
-from timestep to timestep.
+Note that in GHD, the boost factor varies from timestep to timestep.
+Likewise, which bond has Emax strain and thus which pair of atoms the
+bias potential is added to, will also vary from timestep to timestep.
+This in contrast to local hyperdynamics (LHD) where the boost factor
+is an input parameter; see the "fix hyper/local"_fix_hyper_local.html
+doc page for details.
 
 :line
 
+Here is additional information on the input parameters for GHD.
+
 The {cutbond} argument is the cutoff distance for defining bonds
-between pairs of nearby atoms.  A pair of atoms in their equilibrium,
-minimum-energy config, which are a distance Rij < cutbond, are defined
-as a bonded pair.  This should normally be roughly ~25% larger than
-the nearest-neighbor distance in a crystalline lattice.
+between pairs of nearby atoms.  A pair of I,J atoms in their
+equilibrium, minimum-energy configuration, which are separated by a
+distance Rij < {cutbond}, are flagged as a bonded pair.  Setting
+{cubond} to be ~25% larger than the nearest-neighbor distance in a
+crystalline lattice is a typical choice for solids, so that bonds
+exist only between nearest neighbor pairs.
 
 The {qfactor} argument is the limiting strain at which the bias
-potential goes to 0.0.
+potential goes to 0.0.  It is dimensionless, so a value of 0.3 means a
+bond distance can be up to 30% larger or 30% smaller than the
+equilibrium (quenched) R0ij distance and the two atoms in the bond
+could still experience a non-zero bias force.
 
 If {qfactor} is set too large, then transitions from one energy basin
 to another are affected because the bias potneial is non-zero at the
-transitions.  If {qfactor} is set too small than little boost is
-achieved because some the Eij strain of some bond is (nearly) always
-exceeding {qfactor).  Note
+transition state (e.g. saddle point).  If {qfactor} is set too small
+than little boost is achieved because the Eij strain of some bond in
+the system will (nearly) always exceed {qfactor).  A value of 0.3 for
+{qfactor} is typically a reasonable value.
 
-The {Vmax} argument is the prefactor on the bias potential.
-It should be set to a value smaller than 
+The {Vmax} argument is the prefactor on the bias potential.  It should
+be set to a value less than the smallest barrier height for an event
+to occur.  Otherwise the applied bias potential may be large enough
+(when added to the interatomic potential) to produce a local energy
+basin with a maxima in the center.  This can produce artificial energy
+minima in the same basin that trap an atom.  Or if {Vmax} is even
+larger, it may induce an atom(s) to rapidly transition to another
+energy basin.  Both cases are "bad dynamics" which violate the
+assumptions of GHD that guarantee an accelerated time-accurate
+trajectory of the system.
 
-The {Tequil} argument is part of the beta term in the exponential
-factor that determines how much boost is achieved as a function of the
-bias potential.
+The {Tequil} argument is the temperature at which the system is
+simulated; see the comment above about the "fix
+langevin"_fix_langevin.html thermostatting.  It is also part of the
+beta term in the exponential factor that determines how much boost is
+achieved as a function of the bias potential.
+
+In general, the lower the value of {Tequil} and the higher the value
+of {Vmax}, the more boost will be achieved by the GHD algorithm.
+
+:line
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
@@ -152,7 +180,7 @@ The "fix_modify"_fix_modify.html {energy} option is supported by this
 fix to add the energy of the bias potential to the the system's
 potential energy as part of "thermodynamic output"_thermo_style.html.
 
-This fix computes a global scalar and global vector of length 10,
+This fix computes a global scalar and global vector of length 11,
 which can be accessed by various "output
 commands"_Section_howto.html#howto_15.  The scalar is the magnitude of
 the bias potential (energy units) applied on the current timestep.
@@ -164,30 +192,30 @@ The vector stores the following quantities:
 4 = ID of second atom in the max-strain bond
 5 = average # of bonds/atom on this step :ul
 
-6 = fraction of steps with bias = 0.0 during this run
+6 = fraction of timesteps with bias = 0.0 during this run
 7 = max drift distance of any atom during this run (distance units)
 8 = max bond length during this run (distance units) :ul
 
-9 = cummulative hyper time since fix created (time units)
-10 = cummulative count of event timesteps since fix created
-11 = cummulative count of atoms in events since fix created :ul
+9 = cummulative hyper time since fix was defined (time units)
+10 = cummulative count of event timesteps since fix was defined
+11 = cummulative count of atoms in events since fix was defined :ul
 
-The first 5 quantities are for the current timestep.  The quantities
-6-8 are for the current run.  The quantities 9-11 are cummulative
-across multiple runs (since the fix was defined in the input script).
+The first 5 quantities are for the current timestep.  Quantities 6-8
+are for the current hyper run.  Quantities 9-11 are cummulative across
+multiple runs (since the fix was defined in the input script).
 
 For value 10, events are checked for by the "hyper"_hyper.html command
-once every {Nevent} timesteps.  This value is the count of the number
-of timesteps on which one (or more) events was detected.  It is NOT
-the number of distinct events, since more than one physical event may
+once every {Nevent} timesteps.  This value is the count of those
+timesteps on which one (or more) events was detected.  It is NOT the
+number of distinct events, since more than one physical event may
 occur in the same {Nevent} time window.
 
 For value 11, each time the "hyper"_hyper.html command checks for an
-event, the event compute it uses will flag zero or more atoms as
+event, it invokes a compute to flag zero or more atoms as
 participating in an event.  E.g. atoms that have displaced more than
-some distance from the previous quench state.  This value is the count
-of the number of atoms participating in any of the events that were
-found.
+some distance from the previous quench state.  Value 11 is the
+cummulative count of the number of atoms participating in any of the
+events that were found.
 
 The scalar and vector values calculated by this fix are all
 "intensive".
@@ -199,8 +227,8 @@ minimization"_minimize.html.
 [Restrictions:]
 
 This command can only be used if LAMMPS was built with the REPLICA
-package.  See the "Build package"_Build_package.html doc
-page for more info.
+package.  See the "Build package"_Build_package.html doc page for more
+info.
 
 [Related commands:]
 
@@ -208,9 +236,11 @@ page for more info.
 
 [Default:] None
 
-:link(Voter2013)
+:line
+
+:link(Voter2013ghd)
 [(Voter2013)] S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139,
 144110 (2013).
 
-:link(Miron)
+:link(Mironghd)
 [(Miron)] R. A. Miron and K. A. Fichthorn, J Chem Phys, 119, 6210 (2003).
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index ef98637fa5..6585167f3b 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -18,7 +18,7 @@ cutbond = max distance at which a pair of atoms is considered bonded (distance u
 qfactor = max strain at which bias potential goes to 0.0 (unitless) :l
 Vmax = estimated height of bias potential (energy units) :l
 Tequil = equilibration temperature (temperature units) :l
-Dcut = min distance between boosted bonds (distance units) :l
+Dcut = minimum distance between boosted bonds (distance units) :l
 alpha = boostostat relaxation time (time units) :l
 boost = desired time boost factor (unitless) :l
 zero or more keyword/value pairs may be appended :l
@@ -40,66 +40,115 @@ fix 1 all hyper/local 1.0 0.3 0.8 300.0 :pre
 [Description:]
 
 This fix is meant to be used with the "hyper"_hyper.html command to
-perform a bond-boost hyperdynamics simulation.  The role of this fix
-is a select a multiple pairs of atoms within the system at each
-timestep to add a local bias potential to, which will alter their
-dynamics.  This is in contrast to the "fix
-hyper/global"_fix_hyper_global.html command, which adds a global bias
-potential to a single pair of atoms at each timestep.
+perform a bond-boost local hyperdynamics (LHD) simulation.  The role
+of this fix is to a select multiple pairs of atoms in the system at
+each timestep to add a local bias potential to, which will alter the
+dynamics of the system in a manner that effectively accelerates time.
+This is in contrast to the "fix hyper/global"_fix_hyper_global.html
+command, which can be user to perform a global hyperdynamics (GHD)
+simulation, by adding a global bias potential to a single pair of
+atoms at each timestep.  GHD can time accelerate a small simulation
+with up to a few 100 atoms.  For larger systems, LHD is needed to
+achieve good time acceleration.
 
 For a system that undergoes rare transition events, where one or more
-atoms move across an energy barrier to a new potential energy basin,
-the effect of the bias potential is to induce more rapid transitions.
+atoms move over an energy barrier to a new potential energy basin, the
+effect of the bias potential is to induce more rapid transitions.
 This can lead to a dramatic speed-up in the rate at which events
 occurs, without altering their relative frequencies, thus leading to
-an overall dramatic speed-up in the effective wall-clock time of the
-simulation.
+an overall increase in the elapsed real time of the simulation as
+compared to running for the same number of timesteps with normal MD.
+See the "hyper"_hyper.html doc page for a more general discussion of
+hyperdynamics and citations that explain both GHD and LHD.
 
-Cite various papers.
+The equations and logic used by this fix to perform LHD follow the
+description given in "(Voter2013)"_#Voter2013lhd.  The bond-boost form
+of a bias potential for HD is due to Miron and Fichthorn as described
+in "(Miron)"_#Mironlhd.  
 
-The current strain of a bond IJ is defined as
+To understand this description, you should first read the description
+of the GHD algorithm on the "fix hyper/global"_fix_hyper/global.html
+doc page.  This description of LHD builds on the GHD description.
 
-Eij = (Rij - R0ij) / R0ij
+The definition of bonds, Eij, and Emax are the same for GHD and LHD.
+The formula for Vij(max) and Fij(max) are also the same except for a
+pre-factor Cij, explained below.
 
-Emax = is the max of the absolute value of Eij for all IJ bonds.
+The bias energy Vij applied to a bond IJ with maximum strain is
 
-dVij = Vmax * (1 - (Eij/q)^2) for abs(Eij) < q
-     = 0  otherwise
+Vij(max) = Cij * Vmax * (1 - (Eij/q)^2) for abs(Eij) < qfactor
+    = 0 otherwise :pre
 
-Delta Vbias = minimum of dVij for all IJ bonds
+The derivative of Vij(max) with respect to the position of each atom
+in the IJ bond gives a force Fij(max) acting on the bond as
 
-The boost factor B = exp(beta * Delta Vbias)
-for a single timestep.
+Fij(max) = - dVij(max)/dEij = 2 Cij Vmax Eij / qfactor^2   for abs(Eij) < qfactor
+         = 0 otherwise :pre
 
-Thus the accumulated hypertime is simply
+which can be decomposed into an equal and opposite force acting on
+only the two I,J atoms in the IJ bond.
+
+The key difference is that in GHD this bias energy and force is added
+(on a particular timestep) to only one bond (pair of atoms) in the
+system, the bond which has maximum strain Emax.
+
+In LHD, the bias energy and force 
 
-t_hyper = Sum (i = 1 to Nsteps) Bi * dt
 
 NOTE: Add eqs for boostostat and boost coeff.
 Explain how many bonds are boosted simultaneously
 and how to choose boost factor and initial Vmax.
 
+
+
+:line
+
+Here is additional information on the input parameters for GHD.
+
 The {cutbond} argument is the cutoff distance for defining bonds
-between pairs of nearby atoms.  A pair of atoms in their equilibrium,
-minimum-energy config, which are a distance Rij < cutbond, are
-defined as a bonded pair.
+between pairs of nearby atoms.  A pair of I,J atoms in their
+equilibrium, minimum-energy configuration, which are separated by a
+distance Rij < {cutbond}, are flagged as a bonded pair.  Setting
+{cubond} to be ~25% larger than the nearest-neighbor distance in a
+crystalline lattice is a typical choice for solids, so that bonds
+exist only between nearest neighbor pairs.
 
-The {qfactor} argument is the limiting strain at which
-the Vbias (the bias potential) goes to 0.0.
+The {qfactor} argument is the limiting strain at which the bias
+potential goes to 0.0.  It is dimensionless, so a value of 0.3 means a
+bond distance can be up to 30% larger or 30% smaller than the
+equilibrium (quenched) R0ij distance and the two atoms in the bond
+could still experience a non-zero bias force.
 
-If qfactor is too big, then transitions are affected b/c
-the bias energy is non-zero at the transitions.  If it is
-too small than not must boost is achieved for a large system
-with many bonds (some bonds Eij always exceeds qfactor).
+If {qfactor} is set too large, then transitions from one energy basin
+to another are affected because the bias potneial is non-zero at the
+transition state (e.g. saddle point).  If {qfactor} is set too small
+than little boost can be achieved because the Eij strain of some bond in
+the system will (nearly) always exceed {qfactor).  A value of 0.3 for
+{qfactor} is typically a reasonable value.
 
-The {Vmax} argument is the initial prefactor on the bias potential.
-Should be chosen as estimate of final.  Will be adjusted by
-boost cooeficient
+What about requested boost
 
-The {Tequil} argument is part of the beta term in the
-exponential factor that determines how much boost is
+
+The {Vmax} argument is the prefactor on the bias potential.  It should
+be set to a value less than the smallest barrier height for an event
+to occur.  Otherwise the applied bias potential may be large enough
+(when added to the interatomic potential) to produce a local energy
+basin with a maxima in the center.  This can produce artificial energy
+minima in the same basin that trap an atom.  Or if {Vmax} is even
+larger, it may induce an atom(s) to rapidly transition to another
+energy basin.  Both cases are "bad dynamics" which violate the
+assumptions of GHD that guarantee an accelerated time-accurate
+trajectory of the system.
+
+The {Tequil} argument is the temperature at which the system is
+simulated; see the comment above about the "fix
+langevin"_fix_langevin.html thermostatting.  It is also part of the
+beta term in the exponential factor that determines how much boost is
 achieved as a function of the bias potential.
 
+In general, the lower the value of {Tequil} and the higher the value
+of {Vmax}, the more boost will be achieved by the GHD algorithm.
+
 The {Dcut} argument is the distance required between two bonds for
 them to be selected as both being boosted.  The distance is between
 the center points of each bond.  Actually between any pair of atoms in
@@ -122,6 +171,8 @@ bonded atoms may become unphysically large, leading to bad dynamics.
 If chosen too small, the hyperdynamics run may be inefficient in the
 sense that events take a long time to occur.
 
+:line
+
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
 No information about this fix is written to "binary restart
@@ -165,11 +216,10 @@ is run (distance units)
 22 = cummulative count of atoms in events since fix created
 23 = cummulative # of new bonds since fix created :ul
 
-The first quantities (1-5) are for the current timestep.  The
-quantities 6-19 are for the current hyper run.  They are reset each
-time a new hyper run is performed.  The quantities 20-23 are
-cummulative across multiple hyper runs,  They are only set to initial
-values once, when this fix is defined in the input script.
+The first quantities (1-5) are for the current timestep.  Quantities
+6-19 are for the current hyper run.  They are reset each time a new
+hyper run is performed.  Quantities 20-23 are cummulative across
+multiple runs (since the fix was defined in the input script).
 
 For value 6, the numerator is a count of all biased bonds on every
 timestep whose bias value = 0.0.  The denominator is the count of all
@@ -198,3 +248,12 @@ LAMMPS"_Section_start.html#start_3 section for more info.
 
 [Default:] None
 
+:line
+
+:link(Voter2013lhd)
+[(Voter2013)] S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139,
+144110 (2013).
+
+:link(Mironlhd)
+[(Miron)] R. A. Miron and K. A. Fichthorn, J Chem Phys, 119, 6210 (2003).
+

From 0c8ce199af59a490459f7a7f5e89fa6e2659199c Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 11 Oct 2018 16:32:30 -0600
Subject: [PATCH 093/273] more updates to hyper docs

---
 doc/src/fix_hyper_global.txt |  77 ++++++----
 doc/src/fix_hyper_local.txt  | 268 ++++++++++++++++++++++++++---------
 2 files changed, 245 insertions(+), 100 deletions(-)

diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index cd66f5585d..655e2655db 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -47,12 +47,12 @@ compared to running for the same number of timesteps with normal MD.
 See the "hyper"_hyper.html doc page for a more general discussion of
 hyperdynamics and citations that explain both GHD and LHD.
 
-The equations and logic used by this fix to perform GHD follow the
-description given in "(Voter2013)"_#Voter2013ghd.  The bond-boost form
-of a bias potential for HD is due to Miron and Fichthorn as described
-in "(Miron)"_#Mironghd.  In LAMMPS we use a simplified version of
-bond-boost GHD where a single bond in the system is biased at any one
-timestep.
+The equations and logic used by this fix and described here to perform
+GHD follow the description given in "(Voter2013)"_#Voter2013ghd.  The
+bond-boost form of a bias potential for HD is due to Miron and
+Fichthorn as described in "(Miron)"_#Mironghd.  In LAMMPS we use a
+simplified version of bond-boost GHD where a single bond in the system
+is biased at any one timestep.
 
 Bonds are defined between each pair of I,J atoms whose R0ij distance
 is less than {cutbond}, when the system is in a quenched state
@@ -87,7 +87,7 @@ that Vij(max) is added to the normal interatomic potential that is
 computed between all atoms in the system at every step.
 
 The derivative of Vij(max) with respect to the position of each atom
-in the Emax bond gives a force Fij(max) acting on the bond as
+in the Emax bond gives a bias force Fij(max) acting on the bond as
 
 Fij(max) = - dVij(max)/dEij = 2 Vmax Eij / qfactor^2   for abs(Eij) < qfactor
          = 0 otherwise :pre
@@ -100,7 +100,7 @@ The time boost factor for the system is given each timestep I by
 Bi = exp(beta * Vij(max)) :pre
 
 where beta = 1/kTequil, and {Tequil} is the temperature of the system
-and an arguement to this fix.  Note that Bi >= 1 at every step.
+and an argument to this fix.  Note that Bi >= 1 at every step.
 
 NOTE: To run GHD, the input script must also use the "fix
 langevin"_fix_langevin.html command to thermostat the atoms at the
@@ -108,21 +108,21 @@ same {Tequil} as specified by this fix, so that the system is running
 constant-temperature (NVT) dynamics.  LAMMPS does not check that this
 is done.
 
-The elapsed system time t_hyper for a GHD simulation running for {N}
+The elapsed time t_hyper for a GHD simulation running for {N}
 timesteps is simply
 
 t_hyper = Sum (i = 1 to N) Bi * dt :pre
 
 where dt is the timestep size defined by the "timestep"_timestep.html
 command.  The effective time acceleration due to GHD is thus t_hyper /
-N*dt, where the denominator is elapsed time for a normal MD run.
+N*dt, where N*dt is elapsed time for a normal MD run of N timesteps.
 
 Note that in GHD, the boost factor varies from timestep to timestep.
 Likewise, which bond has Emax strain and thus which pair of atoms the
 bias potential is added to, will also vary from timestep to timestep.
-This in contrast to local hyperdynamics (LHD) where the boost factor
-is an input parameter; see the "fix hyper/local"_fix_hyper_local.html
-doc page for details.
+This is in contrast to local hyperdynamics (LHD) where the boost
+factor is an input parameter; see the "fix
+hyper/local"_fix_hyper_local.html doc page for details.
 
 :line
 
@@ -143,22 +143,32 @@ equilibrium (quenched) R0ij distance and the two atoms in the bond
 could still experience a non-zero bias force.
 
 If {qfactor} is set too large, then transitions from one energy basin
-to another are affected because the bias potneial is non-zero at the
+to another are affected because the bias potential is non-zero at the
 transition state (e.g. saddle point).  If {qfactor} is set too small
 than little boost is achieved because the Eij strain of some bond in
 the system will (nearly) always exceed {qfactor).  A value of 0.3 for
 {qfactor} is typically a reasonable value.
 
-The {Vmax} argument is the prefactor on the bias potential.  It should
-be set to a value less than the smallest barrier height for an event
-to occur.  Otherwise the applied bias potential may be large enough
-(when added to the interatomic potential) to produce a local energy
-basin with a maxima in the center.  This can produce artificial energy
-minima in the same basin that trap an atom.  Or if {Vmax} is even
-larger, it may induce an atom(s) to rapidly transition to another
-energy basin.  Both cases are "bad dynamics" which violate the
-assumptions of GHD that guarantee an accelerated time-accurate
-trajectory of the system.
+The {Vmax} argument is the prefactor on the bias potential.  Ideally,
+tt should be set to a value slightly less than the smallest barrier
+height for an event to occur.  Otherwise the applied bias potential
+may be large enough (when added to the interatomic potential) to
+produce a local energy basin with a maxima in the center.  This can
+produce artificial energy minima in the same basin that trap an atom.
+Or if {Vmax} is even larger, it may induce an atom(s) to rapidly
+transition to another energy basin.  Both cases are "bad dynamics"
+which violate the assumptions of GHD that guarantee an accelerated
+time-accurate trajectory of the system.
+
+Note that if {Vmax} is set too small, the GHD simulation will run
+correctly.  There will just be fewer events because the hyper time
+(t_hyper equation above) will be shorter.
+
+NOTE: If you have no physical intuition as to the smallest barrier
+height in your system, a reasonable strategy to determine the largest
+{Vmax} you can use for an LHD model, is to run a sequence of
+simulations with smaller and smaller {Vmax} values, until the event
+rate does not change.
 
 The {Tequil} argument is the temperature at which the system is
 simulated; see the comment above about the "fix
@@ -167,7 +177,7 @@ beta term in the exponential factor that determines how much boost is
 achieved as a function of the bias potential.
 
 In general, the lower the value of {Tequil} and the higher the value
-of {Vmax}, the more boost will be achieved by the GHD algorithm.
+of {Vmax}, the more boost will be achievable by the GHD algorithm.
 
 :line
 
@@ -204,18 +214,23 @@ The first 5 quantities are for the current timestep.  Quantities 6-8
 are for the current hyper run.  Quantities 9-11 are cummulative across
 multiple runs (since the fix was defined in the input script).
 
+For value 7, drift is the distance an atom moves between timesteps
+when the bond list is reset, i.e. between events.  Atoms involved in
+an event will typically move the greatest distance since others are
+typically oscillating around their lattice site.
+
 For value 10, events are checked for by the "hyper"_hyper.html command
 once every {Nevent} timesteps.  This value is the count of those
 timesteps on which one (or more) events was detected.  It is NOT the
-number of distinct events, since more than one physical event may
-occur in the same {Nevent} time window.
+number of distinct events, since more than one event may occur in the
+same {Nevent} time window.
 
 For value 11, each time the "hyper"_hyper.html command checks for an
 event, it invokes a compute to flag zero or more atoms as
-participating in an event.  E.g. atoms that have displaced more than
-some distance from the previous quench state.  Value 11 is the
-cummulative count of the number of atoms participating in any of the
-events that were found.
+participating in one or more events.  E.g. atoms that have displaced
+more than some distance from the previous quench state.  Value 11 is
+the cummulative count of the number of atoms participating in any of
+the events that were found.
 
 The scalar and vector values calculated by this fix are all
 "intensive".
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index 6585167f3b..e4cbc42c7f 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -10,7 +10,7 @@ fix hyper/local command :h3
 
 [Syntax:]
 
-fix ID group-ID hyper/local cutbond qfactor Vmax Tequil Dcut alpha boost :pre
+fix ID group-ID hyper/local cutbond qfactor Vmax Tequil Dcut alpha Btarget :pre
 
 ID, group-ID are documented in "fix"_fix.html command :ulb,l
 hyper/local = style name of this fix command :l
@@ -20,14 +20,9 @@ Vmax = estimated height of bias potential (energy units) :l
 Tequil = equilibration temperature (temperature units) :l
 Dcut = minimum distance between boosted bonds (distance units) :l
 alpha = boostostat relaxation time (time units) :l
-boost = desired time boost factor (unitless) :l
+Btarget = desired time boost factor (unitless) :l
 zero or more keyword/value pairs may be appended :l
-keyword = {histo} or {lost} or {check/bias} or {check/coeff}
-  {histo} values = Nevery Nbin delta Nout
-    Nevery = histogram bond bias coefficients every this many timesteps
-    Nbin = # of histogram bins
-    delta = width of each histogram bin
-    Nout = output histogram counts every this many timesteps
+keyword = {lost} or {check/bias} or {check/coeff}
   {lostbond} value = error/warn/ignore
   {check/bias} values = Nevery error/warn/ignore
   {check/coeff} values = Nevery error/warn/ignore :pre
@@ -61,26 +56,26 @@ compared to running for the same number of timesteps with normal MD.
 See the "hyper"_hyper.html doc page for a more general discussion of
 hyperdynamics and citations that explain both GHD and LHD.
 
-The equations and logic used by this fix to perform LHD follow the
-description given in "(Voter2013)"_#Voter2013lhd.  The bond-boost form
-of a bias potential for HD is due to Miron and Fichthorn as described
-in "(Miron)"_#Mironlhd.  
+The equations and logic used by this fix and described here to perform
+LHD follow the description given in "(Voter2013)"_#Voter2013lhd.  The
+bond-boost form of a bias potential for HD is due to Miron and
+Fichthorn as described in "(Miron)"_#Mironlhd.
 
 To understand this description, you should first read the description
 of the GHD algorithm on the "fix hyper/global"_fix_hyper/global.html
 doc page.  This description of LHD builds on the GHD description.
 
 The definition of bonds, Eij, and Emax are the same for GHD and LHD.
-The formula for Vij(max) and Fij(max) are also the same except for a
+The formulas for Vij(max) and Fij(max) are also the same except for a
 pre-factor Cij, explained below.
 
 The bias energy Vij applied to a bond IJ with maximum strain is
 
 Vij(max) = Cij * Vmax * (1 - (Eij/q)^2) for abs(Eij) < qfactor
-    = 0 otherwise :pre
+         = 0 otherwise :pre
 
 The derivative of Vij(max) with respect to the position of each atom
-in the IJ bond gives a force Fij(max) acting on the bond as
+in the IJ bond gives a bias force Fij(max) acting on the bond as
 
 Fij(max) = - dVij(max)/dEij = 2 Cij Vmax Eij / qfactor^2   for abs(Eij) < qfactor
          = 0 otherwise :pre
@@ -88,22 +83,76 @@ Fij(max) = - dVij(max)/dEij = 2 Cij Vmax Eij / qfactor^2   for abs(Eij) < qfacto
 which can be decomposed into an equal and opposite force acting on
 only the two I,J atoms in the IJ bond.
 
-The key difference is that in GHD this bias energy and force is added
-(on a particular timestep) to only one bond (pair of atoms) in the
-system, the bond which has maximum strain Emax.
+The key difference is that in GHD a bias energy and force is added (on
+a particular timestep) to only one bond (pair of atoms) in the system,
+which is the bond with maximum strain Emax.
 
-In LHD, the bias energy and force 
+In LHD, a bias energy and force can be added to multiple bonds
+separated by the specified {Dcut} distance or more.  A bond IJ is
+biased if it is the maximum strain bond within its local
+"neighborhood", which is defined as the bond IJ plus any neighbor
+bonds within a distance {Dcut} from IJ.  The "distance" between bond
+IJ and bond KL is the minimum distance between any of the IK, IL, JK,
+JL pairs of atoms.
 
+For a large system, multiple bonds will typically meet this
+requirement, and thus a bias potential Vij(max) will be applied to
+many bonds on the same timestep.
 
-NOTE: Add eqs for boostostat and boost coeff.
-Explain how many bonds are boosted simultaneously
-and how to choose boost factor and initial Vmax.
+In LHD, all bonds store a Cij prefactor which appears in the Vij(max)
+and Fij(max) equations above.  Note that the Cij factor scales the
+strength of the bias energy and forces whenever bond IJ is the maximum
+strain bond in its neighborhood.
 
+Cij is initialized to 1.0 when a bond between the I,J atoms is first
+defined.  The specified {Btarget} factor is then used to adjust the
+Cij prefactors for each bond every timestep in the following manner.
 
+An instantaneous boost factor Bij is computed each timestep
+for each bond, as
+
+Bij = exp(beta * Vkl(max)) :pre
+
+where Vkl(max) is the bias energy of the maxstrain bond KL within bond
+IJ's neighborhood, beta = 1/kTequil, and {Tequil} is the temperature
+of the system and an argument to this fix.
+
+NOTE: To run LHD, the input script must also use the "fix
+langevin"_fix_langevin.html command to thermostat the atoms at the
+same {Tequil} as specified by this fix, so that the system is running
+constant-temperature (NVT) dynamics.  LAMMPS does not check that this
+is done.
+
+Note that if IJ = KL, then bond IJ is a biased bond on that timestep,
+otherwise it is not.  But regardless, the boost factor Bij can be
+thought of an estimate of time boost currently being applied within a
+local region centered on bond IJ.  For LHD, we want this to be the
+specified {Btarget} value everywhere in the simulation domain.
+
+To accomplish this, if Bij < Btarget, the Cij prefactor for bond IJ is
+incremented on the current timestep by an amount proportional to the
+inverse of the specified {alpha} and the difference (Bij - Btarget).
+Conversely if Bij > Btarget, Cij is decremented by the same amount.
+This procedure is termed "boostostatting" in
+"(Voter2013)"_#Voter2013lhd.  It drives all of the individual Cij to
+values such that when Vij{max} is applied as a bias to bond IJ, the
+resulting boost factor Bij will be close to {Btarget} on average.
+Thus the LHD time acceleration factor for the overall system is
+effectively {Btarget}.
+
+Note that in LHD, the boost factor {Btarget} is specified by the user.
+This is in contrast to global hyperdynamics (GHD) where the boost
+factor varies each timestep and is computed as a function of {Vmax},
+Emax, and {Tequil}; see the "fix hyper/global"_fix_hyper_global.html
+doc page for details.
 
 :line
 
-Here is additional information on the input parameters for GHD.
+Here is additional information on the input parameters for LHD.
+
+Note that the {cutbond}, {qfactor}, and {Tequil} arguments have the
+same meaning as for GHD.  The {Vmax} argument is slightly different.
+The {Dcut}, {alpha}, and {Btarget} parameters are unique to LHD.
 
 The {cutbond} argument is the cutoff distance for defining bonds
 between pairs of nearby atoms.  A pair of I,J atoms in their
@@ -120,56 +169,92 @@ equilibrium (quenched) R0ij distance and the two atoms in the bond
 could still experience a non-zero bias force.
 
 If {qfactor} is set too large, then transitions from one energy basin
-to another are affected because the bias potneial is non-zero at the
+to another are affected because the bias potential is non-zero at the
 transition state (e.g. saddle point).  If {qfactor} is set too small
 than little boost can be achieved because the Eij strain of some bond in
 the system will (nearly) always exceed {qfactor).  A value of 0.3 for
 {qfactor} is typically a reasonable value.
 
-What about requested boost
+The {Vmax} argument is a fixed prefactor on the bias potential.  There
+is a also a dynamic prefactor Cij, driven by the choice of {Btarget}
+as discussed above.  The product of these should be a value less than
+the smallest barrier height for an event to occur.  Otherwise the
+applied bias potential may be large enough (when added to the
+interatomic potential) to produce a local energy basin with a maxima
+in the center.  This can produce artificial energy minima in the same
+basin that trap an atom.  Or if Cij*{Vmax} is even larger, it may
+induce an atom(s) to rapidly transition to another energy basin.  Both
+cases are "bad dynamics" which violate the assumptions of LHD that
+guarantee an accelerated time-accurate trajectory of the system.
 
-
-The {Vmax} argument is the prefactor on the bias potential.  It should
-be set to a value less than the smallest barrier height for an event
-to occur.  Otherwise the applied bias potential may be large enough
-(when added to the interatomic potential) to produce a local energy
-basin with a maxima in the center.  This can produce artificial energy
-minima in the same basin that trap an atom.  Or if {Vmax} is even
-larger, it may induce an atom(s) to rapidly transition to another
-energy basin.  Both cases are "bad dynamics" which violate the
-assumptions of GHD that guarantee an accelerated time-accurate
-trajectory of the system.
+NOTE: It may seem that {Vmax} can be set to any value, and Cij will
+compensate to reduce the overall prefactor if necessary.  However the
+Cij are initialized to 1.0 and the boostostatting procedure typically
+operates slowly enough that there can be a time period of bad dynamics
+if {Vmax} is set too large.  A better strategy is to set {Vmax} to the
+smallest barrier height for an event (the same as for GHD), so that
+the Cij remain near unity.
 
 The {Tequil} argument is the temperature at which the system is
 simulated; see the comment above about the "fix
 langevin"_fix_langevin.html thermostatting.  It is also part of the
 beta term in the exponential factor that determines how much boost is
-achieved as a function of the bias potential.
+achieved as a function of the bias potential.  See the discussion of
+the {Btarget} argument below.
 
-In general, the lower the value of {Tequil} and the higher the value
-of {Vmax}, the more boost will be achieved by the GHD algorithm.
+As discussed above, the {Dcut} argument is the distance required
+between two locally maxstrain bonds for them to both be selected as
+biased bonds on the same timestep.  Computationally, the larger {Dcut}
+is, the more work (computation and communication) must be done each
+timestep within the LHD algorithm.  And the fewer bonds can be
+simultaneously biased, which may mean the specified {Btarget} time
+acceleration cannot be achieved.
 
-The {Dcut} argument is the distance required between two bonds for
-them to be selected as both being boosted.  The distance is between
-the center points of each bond.  Actually between any pair of atoms in
-either bond.
+Physically {Dcut} should be a long enough distance that biasing two
+pairs of atoms that close together will not influence the dynamics of
+each pair.  E.g. something like 2x the cutoff of the interatomic
+potential.  In practice a {Dcut} value of ~10 Angstroms seems to work
+well for many solid-state systems.
 
-The {alpha} argument is a pre-factor on the update equation
-for each atom's boostostat:
+As described above the {alpha} argument is a pre-factor in the
+boostostat update equation for each bond's Cij prefactor.  {Alpha} is
+specified in time units, similar to other thermostat or barostat
+damping parameters.  It is roughly the physical time it will take the
+boostostat to adjust a Cij value from a too high (or too low) value to
+a correct one.  An {alpha} setting of a few ps is typically good for
+solid-state systems.  Note that the {alpha} argument here is the
+inverse of the alpha parameter discussed in
+"(Voter2013)"_#Voter2013lhd.
 
-NOTE: give equation above
+The {Btarget} argument is the desired time boost factor (a value > 1)
+that all the atoms in the system will experience.  The elapsed time
+t_hyper for an LHD simulation running for {N} timesteps is simply
 
-Note that the units for {alpha} are in time units, similar
-to other thermostat or barostat damping parameters
+t_hyper = Btarget * N*dt :pre
 
-The {boost} argument is the desired boost factor (e.g. 100x)
-that all the atoms in the system will experience.  
+where dt is the timestep size defined by the "timestep"_timestep.html
+command.  The effective time acceleration due to LHD is thus t_hyper /
+N*dt = Btarget, where N*dt is elapsed time for a normal MD run
+of N timesteps.
 
-NOTE: explain how to choose good value for this.  If this parameter is
-chosen to be too large, then the bias potential applied to pairs of
-bonded atoms may become unphysically large, leading to bad dynamics.
-If chosen too small, the hyperdynamics run may be inefficient in the
-sense that events take a long time to occur.
+You cannot choose an arbitrarily large setting for {Btarget}.  The
+maximum value you should choose is
+
+Btarget = exp(beta * Vsmall) :pre
+
+where Vsmall is the smallest event barrier height in your system, beta
+= 1/kTequil, and {Tequil} is the specified temperature of the system
+(both by this fix and the Langevin thermostat).
+
+Note that if {Btarget} is set smaller than this, the LHD simulation
+will run correctly.  There will just be fewer events because the hyper
+time (t_hyper equation above) will be shorter.
+
+NOTE: If you have no physical intuition as to the smallest barrier
+height in your system, a reasonable strategy to determine the largest
+{Btarget} you can use for an LHD model, is to run a sequence of
+simulations with smaller and smaller {Btarget} values, until the event
+rate does not change.
 
 :line
 
@@ -189,21 +274,20 @@ the bias potential (energy units) applied on the current timestep,
 summed over all biased bonds.  The vector stores the following
 quantities:
 
-1 = # of boosted bonds on this step
-2 = max strain of any bond on this step (unitless)
-3 = average bias potential for all bonds on this step (energy units)
-4 = average bonds/atom on this step
-5 = average neighbor bonds/bond on this step :ul
+1 = # of biased bonds on this step
+2 = max strain Eij of any bond on this step (unitless)
+3 = average bias potential for all biased bonds on this step (energy units)
+4 = average # of bonds/atom on this step
+5 = average neighbor bonds/bond on this step within {Dcut} :ul
 
 6 = fraction of steps and bonds with no bias during this run
 7 = max drift distance of any atom during this run (distance units)
 8 = max bond length during this run (distance units)
-9 = average # of boosted bonds/step during this run
-10 = average bias potential for all bonds during this run (energy units)
-11 = max bias potential for any bond during this run (energy units)
-12 = min bias potential for any bond during this run (energy units)
-13 = max distance from my box of any ghost atom with maxstrain < qfactor during th
-is run (distance units)
+9 = average # of biased bonds/step during this run
+10 = average bias potential for all biased bonds during this run (energy units)
+11 = max bias potential for any biased bond during this run (energy units)
+12 = min bias potential for any biased bond during this run (energy units)
+13 = max distance from my sub-box of any ghost atom with maxstrain < qfactor during this run (distance units)
 14 = max distance outside my box of any ghost atom with any maxstrain during this run (distance units)
 15 = count of ghost neighbor atoms not found on reneighbor steps during this run
 16 = count of lost bond partners during this run
@@ -222,13 +306,60 @@ hyper run is performed.  Quantities 20-23 are cummulative across
 multiple runs (since the fix was defined in the input script).
 
 For value 6, the numerator is a count of all biased bonds on every
-timestep whose bias value = 0.0.  The denominator is the count of all
-biased bonds on all timesteps.
+timestep whose bias energy = 0.0 due to Eij >= {qfactor}.  The
+denominator is the count of all biased bonds on all timesteps.
+
+For value 7, drift is the distance an atom moves between timesteps
+when the bond list is reset, i.e. between events.  Atoms involved in
+an event will typically move the greatest distance since others are
+typically oscillating around their lattice site.
 
 For values 13 and 14, the maxstrain of a ghost atom is the maxstrain
 of any bond it is part of, and it is checked for ghost atoms within
 the bond neighbor cutoff.
 
+Values 15-19 are mostly useful for debugging and diagnositc purposes.
+
+For values 15-17, it is possible that a ghost atom owned by another
+processor will move far enough (e.g. as part of an event-in-progress)
+that it will no longer be within the communication cutoff distance for
+acquiring ghost atoms.  Likewise it may be a ghost atom bond partner
+that cannot be found because it has moved too far.  These values count
+those occurrences.  Because they typically involve atoms that are part
+of events, they do not usually indicate bad dynamics.  Value 16 is the
+average bias coefficient for bonds where a partner atom was lost.
+
+For value 18, no two bonds should be biased if they are within a
+{Dcut} distance of each other.  This value should be zero, indicating
+that no pair of bonds "overlap", meaning they are closer than {Dcut}
+from each other.
+
+For value 19, the same bias coefficient is stored by both atoms in an
+IJ bond.  This value should be zero, indicating that for all bonds,
+each atom in the bond stores the a bias coefficient with the same
+value.
+
+Value 20 is simply the specified {boost} factor times the number of
+timestep times the timestep size.
+
+For value 21, events are checked for by the "hyper"_hyper.html command
+once every {Nevent} timesteps.  This value is the count of those
+timesteps on which one (or more) events was detected.  It is NOT the
+number of distinct events, since more than one event may occur in the
+same {Nevent} time window.
+
+For value 22, each time the "hyper"_hyper.html command checks for an
+event, it invokes a compute to flag zero or more atoms as
+participating in one or more events.  E.g. atoms that have displaced
+more than some distance from the previous quench state.  Value 22 is
+the cummulative count of the number of atoms participating in any of
+the events that were found.
+
+Value 23 tallies the number of new bonds created by the bond reset
+operation.  Bonds between a specific I,J pair of atoms may persist for
+the entire hyperdynamics simulation if neither I or J are involved in
+an event.
+
 The scalar and vector values calculated by this fix are all
 "intensive".
 
@@ -256,4 +387,3 @@ LAMMPS"_Section_start.html#start_3 section for more info.
 
 :link(Mironlhd)
 [(Miron)] R. A. Miron and K. A. Fichthorn, J Chem Phys, 119, 6210 (2003).
-

From d7a479d2f6642d41e0e2c8b2f752d5fec272d07f Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 11 Oct 2018 16:51:01 -0600
Subject: [PATCH 094/273] hyper example dir

---
 examples/README                  |    1 +
 examples/hyper/adatoms.list.37K  |  184 +++++
 examples/hyper/in.hyper.global   |   99 +++
 examples/hyper/in.hyper.local    |  119 +++
 examples/hyper/ptvoterlammps.eam | 1206 ++++++++++++++++++++++++++++++
 5 files changed, 1609 insertions(+)
 create mode 100644 examples/hyper/adatoms.list.37K
 create mode 100644 examples/hyper/in.hyper.global
 create mode 100644 examples/hyper/in.hyper.local
 create mode 100644 examples/hyper/ptvoterlammps.eam

diff --git a/examples/README b/examples/README
index 3c9c299819..e03dacec82 100644
--- a/examples/README
+++ b/examples/README
@@ -78,6 +78,7 @@ friction: frictional contact of spherical asperities between 2d surfaces
 gcmc:     Grand Canonical Monte Carlo (GCMC) via the fix gcmc command
 granregion: use of fix wall/region/gran as boundary on granular particles
 hugoniostat: Hugoniostat shock dynamics
+hyper:    global and local hyperdynamics of diffusion on Pt surface
 indent:	  spherical indenter into a 2d solid
 kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)
 latte:    use of LATTE density-functional tight-binding quantum code
diff --git a/examples/hyper/adatoms.list.37K b/examples/hyper/adatoms.list.37K
new file mode 100644
index 0000000000..520570186c
--- /dev/null
+++ b/examples/hyper/adatoms.list.37K
@@ -0,0 +1,184 @@
+create_atoms 1 single 27.5 9.5 4
+create_atoms 1 single 16 9 4
+create_atoms 1 single 10 12 4
+create_atoms 1 single 31 44 4
+create_atoms 1 single 13 17 4
+create_atoms 1 single 8.5 28.5 4
+create_atoms 1 single 23 26 4
+create_atoms 1 single 38 27 4
+create_atoms 1 single 37.5 4.5 4
+create_atoms 1 single 41.5 47.5 4
+create_atoms 1 single 20.5 37.5 4
+create_atoms 1 single 5 8 4
+create_atoms 1 single 2.5 16.5 4
+create_atoms 1 single 38.5 45.5 4
+create_atoms 1 single 9 0 4
+create_atoms 1 single 39 32 4
+create_atoms 1 single 45.5 11.5 4
+create_atoms 1 single 40 0 4
+create_atoms 1 single 44.5 2.5 4
+create_atoms 1 single 4.5 44.5 4
+create_atoms 1 single 24.5 13.5 4
+create_atoms 1 single 47.5 23.5 4
+create_atoms 1 single 1 20 4
+create_atoms 1 single 38.5 31.5 4
+create_atoms 1 single 12.5 12.5 4
+create_atoms 1 single 2 27 4
+create_atoms 1 single 21 5 4
+create_atoms 1 single 47 12 4
+create_atoms 1 single 32.5 46.5 4
+create_atoms 1 single 9.5 40.5 4
+create_atoms 1 single 8.5 2.5 4
+create_atoms 1 single 41.5 22.5 4
+create_atoms 1 single 29 11 4
+create_atoms 1 single 3.5 3.5 4
+create_atoms 1 single 5 21 4
+create_atoms 1 single 46.5 31.5 4
+create_atoms 1 single 35 46 4
+create_atoms 1 single 40.5 41.5 4
+create_atoms 1 single 10 22 4
+create_atoms 1 single 43.5 14.5 4
+create_atoms 1 single 42 42 4
+create_atoms 1 single 4 26 4
+create_atoms 1 single 19 34 4
+create_atoms 1 single 33 9 4
+create_atoms 1 single 0.5 45.5 4
+create_atoms 1 single 30.5 32.5 4
+create_atoms 1 single 25.5 5.5 4
+create_atoms 1 single 47.5 39.5 4
+create_atoms 1 single 15 13 4
+create_atoms 1 single 21 21 4
+create_atoms 1 single 14 28 4
+create_atoms 1 single 9 34 4
+create_atoms 1 single 7 38 4
+create_atoms 1 single 11 35 4
+create_atoms 1 single 20.5 45.5 4
+create_atoms 1 single 30.5 31.5 4
+create_atoms 1 single 32.5 2.5 4
+create_atoms 1 single 21.5 3.5 4
+create_atoms 1 single 23 12 4
+create_atoms 1 single 4.5 33.5 4
+create_atoms 1 single 46 43 4
+create_atoms 1 single 42.5 45.5 4
+create_atoms 1 single 4.5 10.5 4
+create_atoms 1 single 33.5 15.5 4
+create_atoms 1 single 24 5 4
+create_atoms 1 single 13 16 4
+create_atoms 1 single 16.5 23.5 4
+create_atoms 1 single 45.5 28.5 4
+create_atoms 1 single 44.5 5.5 4
+create_atoms 1 single 27.5 46.5 4
+create_atoms 1 single 44.5 12.5 4
+create_atoms 1 single 12 41 4
+create_atoms 1 single 6 4 4
+create_atoms 1 single 31.5 10.5 4
+create_atoms 1 single 1 44 4
+create_atoms 1 single 31 4 4
+create_atoms 1 single 21 33 4
+create_atoms 1 single 3 33 4
+create_atoms 1 single 15 10 4
+create_atoms 1 single 28.5 22.5 4
+create_atoms 1 single 43 1 4
+create_atoms 1 single 3.5 0.5 4
+create_atoms 1 single 41 37 4
+create_atoms 1 single 18.5 43.5 4
+create_atoms 1 single 17 27 4
+create_atoms 1 single 3 5 4
+create_atoms 1 single 18.5 23.5 4
+create_atoms 1 single 31.5 14.5 4
+create_atoms 1 single 41 31 4
+create_atoms 1 single 22 3 4
+create_atoms 1 single 14.5 40.5 4
+create_atoms 1 single 9 38 4
+create_atoms 1 single 36 42 4
+create_atoms 1 single 33 22 4
+create_atoms 1 single 15.5 47.5 4
+create_atoms 1 single 3 0 4
+create_atoms 1 single 25.5 27.5 4
+create_atoms 1 single 2.5 28.5 4
+create_atoms 1 single 29.5 28.5 4
+create_atoms 1 single 44.5 18.5 4
+create_atoms 1 single 26 40 4
+create_atoms 1 single 41 27 4
+create_atoms 1 single 39.5 5.5 4
+create_atoms 1 single 3 38 4
+create_atoms 1 single 35 29 4
+create_atoms 1 single 11 19 4
+create_atoms 1 single 18 1 4
+create_atoms 1 single 39.5 40.5 4
+create_atoms 1 single 46 17 4
+create_atoms 1 single 1.5 23.5 4
+create_atoms 1 single 28.5 23.5 4
+create_atoms 1 single 10 28 4
+create_atoms 1 single 19 47 4
+create_atoms 1 single 10.5 16.5 4
+create_atoms 1 single 38 45 4
+create_atoms 1 single 42.5 41.5 4
+create_atoms 1 single 47.5 42.5 4
+create_atoms 1 single 38 7 4
+create_atoms 1 single 10 44 4
+create_atoms 1 single 29.5 27.5 4
+create_atoms 1 single 45 30 4
+create_atoms 1 single 3 9 4
+create_atoms 1 single 8.5 35.5 4
+create_atoms 1 single 24 44 4
+create_atoms 1 single 47 4 4
+create_atoms 1 single 7.5 8.5 4
+create_atoms 1 single 32.5 41.5 4
+create_atoms 1 single 0.5 34.5 4
+create_atoms 1 single 11 8 4
+create_atoms 1 single 2 40 4
+create_atoms 1 single 25 24 4
+create_atoms 1 single 47.5 6.5 4
+create_atoms 1 single 39.5 28.5 4
+create_atoms 1 single 17 21 4
+create_atoms 1 single 32 43 4
+create_atoms 1 single 16.5 29.5 4
+create_atoms 1 single 34 34 4
+create_atoms 1 single 11.5 3.5 4
+create_atoms 1 single 39 22 4
+create_atoms 1 single 24.5 36.5 4
+create_atoms 1 single 33 31 4
+create_atoms 1 single 35.5 35.5 4
+create_atoms 1 single 14.5 34.5 4
+create_atoms 1 single 34 28 4
+create_atoms 1 single 37 41 4
+create_atoms 1 single 33 46 4
+create_atoms 1 single 27.5 28.5 4
+create_atoms 1 single 40.5 22.5 4
+create_atoms 1 single 27.5 1.5 4
+create_atoms 1 single 12 2 4
+create_atoms 1 single 36 43 4
+create_atoms 1 single 28.5 9.5 4
+create_atoms 1 single 20.5 25.5 4
+create_atoms 1 single 3 3 4
+create_atoms 1 single 38 33 4
+create_atoms 1 single 3 20 4
+create_atoms 1 single 35 11 4
+create_atoms 1 single 5 25 4
+create_atoms 1 single 36.5 6.5 4
+create_atoms 1 single 19.5 24.5 4
+create_atoms 1 single 27 41 4
+create_atoms 1 single 39.5 11.5 4
+create_atoms 1 single 21.5 2.5 4
+create_atoms 1 single 46.5 15.5 4
+create_atoms 1 single 13 24 4
+create_atoms 1 single 11 37 4
+create_atoms 1 single 11.5 31.5 4
+create_atoms 1 single 47 0 4
+create_atoms 1 single 25.5 17.5 4
+create_atoms 1 single 32 11 4
+create_atoms 1 single 8 17 4
+create_atoms 1 single 27.5 12.5 4
+create_atoms 1 single 25 7 4
+create_atoms 1 single 25.5 37.5 4
+create_atoms 1 single 12 15 4
+create_atoms 1 single 1 7 4
+create_atoms 1 single 18.5 47.5 4
+create_atoms 1 single 5 38 4
+create_atoms 1 single 42 19 4
+create_atoms 1 single 30.5 7.5 4
+create_atoms 1 single 42.5 7.5 4
+create_atoms 1 single 26.5 18.5 4
+create_atoms 1 single 18.5 1.5 4
+create_atoms 1 single 41.5 10.5 4
diff --git a/examples/hyper/in.hyper.global b/examples/hyper/in.hyper.global
new file mode 100644
index 0000000000..8d770a1afb
--- /dev/null
+++ b/examples/hyper/in.hyper.global
@@ -0,0 +1,99 @@
+# 3d EAM surface for global HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 800.0
+variable        Vmax index 0.3
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        cutevent index 1.1
+variable        steps index 1000 
+variable        zoom index 1.8
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+
+lattice		fcc 3.92
+region		box block 0 6 0 6 0 4
+create_box	3 box
+create_atoms	1 box
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f 
+create_atoms    2 single 3.5 3.5 4
+
+# define frozen substrate and mobile atoms
+
+group           adatom type 2
+region          base block INF INF INF INF 0 1.8
+set             region base type 3
+group           base type 3
+group           mobile type 1 2
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 4879387 zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+
+# thermal equilibration
+
+run             1000
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+
+# hyper/global
+
+fix             HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
+
+# thermo output
+
+thermo_style    custom step temp pe f_HG &
+                f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] &
+                f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+
+thermo          100
+
+# dump output options
+
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
+
+dump		1 all custom 10000000 dump.* id type x y z
+dump_modify	1 pad 6
+
+dump		5 all image 10000000 static.*.ppm v_acolor type &
+		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	5 pad 9 amap 1 3 sa 1 3 blue red green
+
+# run
+
+hyper           ${steps} 100 HG event min 1.0e-6 1.0e-6 100 100 dump 1 dump 5
diff --git a/examples/hyper/in.hyper.local b/examples/hyper/in.hyper.local
new file mode 100644
index 0000000000..02635e634f
--- /dev/null
+++ b/examples/hyper/in.hyper.local
@@ -0,0 +1,119 @@
+# 3d EAM surface for local HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 800.0
+variable        Vmax index 0.3
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        Dcut index 10.0
+variable        cutevent index 1.1
+variable        alpha index 200.0
+variable        boost index 100.0
+variable        ghostcut index 12.0
+variable        steps index 1000 
+variable        nx index 1
+variable        ny index 1
+variable        zoom index 1.8
+variable        seed index 59830932
+variable        tol index 1.0e-15
+variable        add index 184
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+comm_modify     cutoff ${ghostcut}
+
+lattice		fcc 3.92
+region		box block 0 6 0 6 0 4
+create_box	2 box
+create_atoms	1 box
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f 
+
+# replicate in xy
+
+replicate       ${nx} ${ny} 1
+
+# add adatoms
+
+include         adatoms.list.${add}
+
+# define frozen substrate and mobile atoms
+
+region          base block INF INF INF INF 0 1.8
+set             region base type 2
+group           base type 2
+group           mobile type 1
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+
+# thermal equilibration
+
+run             1000
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+
+# hyper/local
+    
+fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil} &
+                ${Dcut} ${alpha} ${boost}
+
+# thermo output
+
+thermo_style    custom step temp pe f_HL &
+                f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] &
+                f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] &
+                f_HL[14] f_HL[15] f_HL[16] f_HL[17]
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+
+thermo          100
+
+# dump
+
+write_dump      all custom dump.initial id type x y z
+
+variable        Dhop equal 0.1
+variable        check atom "c_dsp[4] > v_Dhop"
+compute         dsp all displace/atom refresh check
+
+dump		1 all custom 1000000000 dump.* id type x y z
+dump_modify     1 pad 6 thresh c_dsp[4] > ${Dhop} refresh c_dsp 
+
+dump		5 all image 10000000 static.*.ppm v_acolor type &
+		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	5 pad 6 amap 1 3 sa 1 3 blue red green
+
+# run
+
+hyper           ${steps} 100 HL event min ${tol} ${tol} 1000 1000 dump 1
diff --git a/examples/hyper/ptvoterlammps.eam b/examples/hyper/ptvoterlammps.eam
new file mode 100644
index 0000000000..780f76c0da
--- /dev/null
+++ b/examples/hyper/ptvoterlammps.eam
@@ -0,0 +1,1206 @@
+lammps potential file (eam alloy format) generated from Voter potential
+lammps potential file (eam alloy format) generated from Voter potential
+lammps potential file (eam alloy format) generated from Voter potential
+    1  Pt        
+      2000   4.4701153864882436E-04      2000   2.7893112429014507E-03   5.5758331745599996E+00
+   78        195.100000  3.9200000000E+00      fcc 
+   0.0000000000000000E+00  -9.3726378237257005E-02  -1.4662876812087147E-01  -1.9347407019915208E-01  -2.3636618878752805E-01
+  -2.7644724047124986E-01  -3.1435333587770409E-01  -3.5048959265680196E-01  -3.8513634620198733E-01  -4.1849879865649925E-01
+  -4.5073342521979493E-01  -4.8196329692534651E-01  -5.1228758935937202E-01  -5.4178787113806126E-01  -5.7053231810654348E-01
+  -5.9857943522197787E-01  -6.2597854370043704E-01  -6.5277186883419602E-01  -6.7899694123453103E-01  -7.0468682804639060E-01
+  -7.2987087311243415E-01  -7.5457527088636300E-01  -7.7882352856138171E-01  -8.0263687477682044E-01  -8.2603453431614704E-01
+  -8.4903405777178687E-01  -8.7165002801416214E-01  -8.9385220540647714E-01  -9.1561604805012164E-01  -9.3696265603603790E-01
+  -9.5791522083198610E-01  -9.7849204352602093E-01  -9.9870983002189262E-01  -1.0185836829573178E+00  -1.0381272638272998E+00
+  -1.0573529357206635E+00  -1.0762720270513424E+00  -1.0948948965179912E+00  -1.1132310942413695E+00  -1.1312893591364621E+00
+  -1.1490778953611478E+00  -1.1666042948848379E+00  -1.1838755886047883E+00  -1.2008983345443256E+00  -1.2176788724342509E+00
+  -1.2342229130270710E+00  -1.2505358671573346E+00  -1.2666228433654478E+00  -1.2824887273263106E+00  -1.2981380914574538E+00
+  -1.3135752421307874E+00  -1.3288043328425232E+00  -1.3438292731518049E+00  -1.3586538134484907E+00  -1.3732814919179874E+00
+  -1.3877156903481436E+00  -1.4019596852675269E+00  -1.4160165195411898E+00  -1.4298892184938752E+00  -1.4435806245935652E+00
+  -1.4570934731127474E+00  -1.4704303157498337E+00  -1.4835937210293269E+00  -1.4965861005543943E+00  -1.5094097763634138E+00
+  -1.5220668946168692E+00  -1.5345597844428560E+00  -1.5468904285465384E+00  -1.5590608388617706E+00  -1.5710730238967714E+00
+  -1.5829287935901264E+00  -1.5946300239478917E+00  -1.6061784714959348E+00  -1.6175758053312737E+00  -1.6288236803495129E+00
+  -1.6399237328328120E+00  -1.6508775658053350E+00  -1.6616864780633585E+00  -1.6723521585867245E+00  -1.6828759298168119E+00
+  -1.6932591433668713E+00  -1.7035031469456148E+00  -1.7136092934673612E+00  -1.7235788404216321E+00  -1.7334129925527970E+00
+  -1.7431129415525604E+00  -1.7526799118629599E+00  -1.7621150270123394E+00  -1.7714193942410039E+00  -1.7805940695781992E+00
+  -1.7896401398323107E+00  -1.7985586680727887E+00  -1.8073505775972039E+00  -1.8160168872573059E+00  -1.8245585986617567E+00
+  -1.8329766123728359E+00  -1.8412717487946277E+00  -1.8494450474624169E+00  -1.8574973381639921E+00  -1.8654294796444515E+00
+  -1.8732423326875589E+00  -1.8809365751665037E+00  -1.8885131534009967E+00  -1.8959729006831632E+00  -1.9033163629652998E+00
+  -1.9105445288673943E+00  -1.9176579902949664E+00  -1.9246574529251665E+00  -1.9315437280249601E+00  -1.9383174597431190E+00
+  -1.9449793109628810E+00  -1.9515299486677091E+00  -1.9579700404692790E+00  -1.9643002552280855E+00  -1.9705211806583449E+00
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From 3b7ebbb8dfe808265ab29fc30c04fe79b5ca0926 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Fri, 12 Oct 2018 13:26:40 -0600
Subject: [PATCH 095/273] new hyper examples

---
 doc/src/fix_hyper_local.txt           |   15 +
 doc/src/hyper.txt                     |   18 +-
 doc/src/prd.txt                       |    5 +-
 examples/hyper/global.000000.jpg      |  Bin 0 -> 72470 bytes
 examples/hyper/global.003000.jpg      |  Bin 0 -> 71795 bytes
 examples/hyper/global.038000.jpg      |  Bin 0 -> 70395 bytes
 examples/hyper/global.059000.jpg      |  Bin 0 -> 71492 bytes
 examples/hyper/in.hyper.global        |   24 +-
 examples/hyper/in.hyper.local         |   41 +-
 examples/hyper/local.000000.jpg       |  Bin 0 -> 493761 bytes
 examples/hyper/local.000700.jpg       |  Bin 0 -> 490185 bytes
 examples/hyper/local.000800.jpg       |  Bin 0 -> 488885 bytes
 examples/hyper/local.001100.jpg       |  Bin 0 -> 490525 bytes
 examples/hyper/log.hyper.global.g++.4 | 1243 +++++++++++++++++++++++++
 examples/hyper/log.hyper.local.g++.16 |  993 ++++++++++++++++++++
 src/REPLICA/fix_hyper_local.cpp       |    8 +-
 src/REPLICA/hyper.cpp                 |   18 +-
 17 files changed, 2292 insertions(+), 73 deletions(-)
 create mode 100644 examples/hyper/global.000000.jpg
 create mode 100644 examples/hyper/global.003000.jpg
 create mode 100644 examples/hyper/global.038000.jpg
 create mode 100644 examples/hyper/global.059000.jpg
 create mode 100644 examples/hyper/local.000000.jpg
 create mode 100644 examples/hyper/local.000700.jpg
 create mode 100644 examples/hyper/local.000800.jpg
 create mode 100644 examples/hyper/local.001100.jpg
 create mode 100644 examples/hyper/log.hyper.global.g++.4
 create mode 100644 examples/hyper/log.hyper.local.g++.16

diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index e4cbc42c7f..b8e5cf07da 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -216,6 +216,21 @@ each pair.  E.g. something like 2x the cutoff of the interatomic
 potential.  In practice a {Dcut} value of ~10 Angstroms seems to work
 well for many solid-state systems.
 
+NOTE: You must also insure that ghost atom communication is performed
+for a distance of at least {Dcut} + {cutevent} where {cutevent} = the
+distance one or more atoms move (between quenched states) to be
+considered an "event".  It is an argument to the "compute
+event/displace" command used to detect events.  By default the ghost
+communication distance is set by the pair_style cutoff, which will
+typically be < {Dcut}.  The "comm_modify cutoff"_comm_modify.html
+command can be used to set the ghost cutoff explicitly, e.g.
+
+comm_modify cutoff 12.0 :pre
+
+This fix does not know the {cutevent} parameter, but uses half the
+bond length as an estimate to warn if the ghost cutoff is not long
+enough.
+
 As described above the {alpha} argument is a pre-factor in the
 boostostat update equation for each bond's Cij prefactor.  {Alpha} is
 specified in time units, similar to other thermostat or barostat
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index e862af2235..936fb665d3 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -17,15 +17,12 @@ Nevent = check for events every this many steps :l
 fix-ID = ID of a fix that applies a global or local bias potential, can be NULL :l
 compute-ID = ID of a compute that identifies when an event has occurred :l
 zero or more keyword/value pairs may be appended :l
-keyword = {min} or {time} or {dump} or {rebond} :l
+keyword = {min} or {dump} or {rebond} :l
   {min} values = etol ftol maxiter maxeval
     etol = stopping tolerance for energy, used in quenching
     ftol = stopping tolerance for force, used in quenching
     maxiter = max iterations of minimize, used in quenching
     maxeval = max number of force/energy evaluations, used in quenching
-  {time} value = {steps} or {clock}
-    {steps} = simulation runs for N timesteps (default)
-    {clock} = simulation runs until hyper time exceeds N timesteps
   {dump} value = dump-ID
     dump-ID = ID of dump to trigger whenever an event takes place
   {rebond} value = Nrebond
@@ -73,9 +70,8 @@ that each timestep is effectively longer.  PRD creates Nr replicas of
 the system and runs dynamics on each independently with a normal
 unbiased potential until an event occurs in one of the replicas.  The
 time between events is reduced by a factor of Nr replicas.  For both
-methods, per wall-clock second, more physical time elapses and more
-events occur.  See the "prd"_prd.html doc page for more info about
-PRD.
+methods, per CPU second, more physical time elapses and more events
+occur.  See the "prd"_prd.html doc page for more info about PRD.
 
 An HD run has several stages, which are repeated each time an "event"
 occurs, as explained below.  The logic for an HD run is as follows:
@@ -146,14 +142,6 @@ As explained above, the {min} keyword can be used to specify
 parameters for the quench.  Their meaning is the same
 as for the "minimize"_minimize.html command
 
-The {time} keyword determines how the {N} timesteps argument is
-interpreted.  If {time} is set to {steps}, then hyperdynamics is run
-for {N} timesteps.  If the time acceleration provided by the bias
-potential is 10x, then that is the same as running a normal (unbiased)
-MD simulation for 10N steps.  If {time} is set to {clock}, then
-hyperdynamics would run for N/10 steps, since that would correspond to
-an elapsed real time of N*dt.
-
 The {dump} keyword can be used to trigger a specific dump command with
 the specified {dump-ID} to output a snapshot each time an event is
 detected.  It can be specified multiple times with different {dump-ID}
diff --git a/doc/src/prd.txt b/doc/src/prd.txt
index 43c0d309c8..e1d6fc1b4e 100644
--- a/doc/src/prd.txt
+++ b/doc/src/prd.txt
@@ -70,9 +70,8 @@ an event occurs in one of the replicas.  The time between events is
 reduced by a factor of Nr replicas.  HD uses a single replica of the
 system and accelerates time by biasing the interaction potential in a
 manner such that each timestep is effectively longer.  For both
-methods, per wall-clock second, more physical time elapses and more
-events occur.  See the "hyper"_hyper.html doc page for more info about
-HD.
+methods, per CPU second, more physical time elapses and more events
+occur.  See the "hyper"_hyper.html doc page for more info about HD.
 
 In PRD, each replica runs on a partition of one or more processors.
 Processor partitions are defined at run-time using the "-partition
diff --git a/examples/hyper/global.000000.jpg b/examples/hyper/global.000000.jpg
new file mode 100644
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diff --git a/examples/hyper/in.hyper.global b/examples/hyper/in.hyper.global
index 8d770a1afb..22b3b4251b 100644
--- a/examples/hyper/in.hyper.global
+++ b/examples/hyper/in.hyper.global
@@ -4,12 +4,13 @@
 # hop event on (100) surface is same distance
 # exchange event is 2 atoms moving same distance
 
-variable        Tequil index 800.0
-variable        Vmax index 0.3
+variable        Tequil index 500.0
+variable        Vmax index 0.5
 variable        qfactor index 0.3
 variable        cutbond index 3.2
 variable        cutevent index 1.1
-variable        steps index 1000 
+variable        steps index 100000
+variable        nevent index 1000
 variable        zoom index 1.8
 
 units           metal
@@ -44,7 +45,7 @@ neighbor	0.5 bin
 neigh_modify    every 1 delay 5 check yes
 
 fix		1 mobile nve
-fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 4879387 zero yes
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
 
 timestep	0.005
 
@@ -72,14 +73,12 @@ fix             HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
 
 # thermo output
 
-thermo_style    custom step temp pe f_HG &
-                f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] &
-                f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
+thermo_style    custom step temp pe f_HG f_HG[*]
 
 thermo_modify   lost ignore
 thermo_modify   temp tmobile
 
-thermo          100
+thermo          ${nevent}
 
 # dump output options
 
@@ -87,13 +86,10 @@ region          substrate block INF INF INF INF 1.8 3.8
 region          adatoms block INF INF INF INF 3.8 INF
 variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
 
-dump		1 all custom 10000000 dump.* id type x y z
-dump_modify	1 pad 6
-
-dump		5 all image 10000000 static.*.ppm v_acolor type &
+dump		1 all image 1000000 global.*.jpg v_acolor type &
 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump_modify	5 pad 9 amap 1 3 sa 1 3 blue red green
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
 
 # run
 
-hyper           ${steps} 100 HG event min 1.0e-6 1.0e-6 100 100 dump 1 dump 5
+hyper           ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
diff --git a/examples/hyper/in.hyper.local b/examples/hyper/in.hyper.local
index 02635e634f..ef8ed4d042 100644
--- a/examples/hyper/in.hyper.local
+++ b/examples/hyper/in.hyper.local
@@ -4,22 +4,23 @@
 # hop event on (100) surface is same distance
 # exchange event is 2 atoms moving same distance
 
-variable        Tequil index 800.0
-variable        Vmax index 0.3
+variable        Tequil index 400.0
+variable        Vmax index 0.4
 variable        qfactor index 0.3
 variable        cutbond index 3.2
 variable        Dcut index 10.0
 variable        cutevent index 1.1
 variable        alpha index 200.0
-variable        boost index 100.0
+variable        boost index 4000.0
 variable        ghostcut index 12.0
-variable        steps index 1000 
-variable        nx index 1
-variable        ny index 1
+variable        steps index 1500
+variable        nevent index 100
+variable        nx index 8
+variable        ny index 8
 variable        zoom index 1.8
-variable        seed index 59830932
+variable        seed index 826626413
 variable        tol index 1.0e-15
-variable        add index 184
+variable        add index 37K
 
 units           metal
 atom_style	atomic
@@ -89,31 +90,23 @@ fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil} &
 
 # thermo output
 
-thermo_style    custom step temp pe f_HL &
-                f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] &
-                f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] &
-                f_HL[14] f_HL[15] f_HL[16] f_HL[17]
+thermo_style    custom step temp pe f_HL f_HL[*]
 
 thermo_modify   lost ignore
 thermo_modify   temp tmobile
 
-thermo          100
+thermo          ${nevent}
 
 # dump
 
-write_dump      all custom dump.initial id type x y z
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
 
-variable        Dhop equal 0.1
-variable        check atom "c_dsp[4] > v_Dhop"
-compute         dsp all displace/atom refresh check
-
-dump		1 all custom 1000000000 dump.* id type x y z
-dump_modify     1 pad 6 thresh c_dsp[4] > ${Dhop} refresh c_dsp 
-
-dump		5 all image 10000000 static.*.ppm v_acolor type &
+dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 &
 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
-dump_modify	5 pad 6 amap 1 3 sa 1 3 blue red green
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
 
 # run
 
-hyper           ${steps} 100 HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
diff --git a/examples/hyper/local.000000.jpg b/examples/hyper/local.000000.jpg
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diff --git a/examples/hyper/log.hyper.global.g++.4 b/examples/hyper/log.hyper.global.g++.4
new file mode 100644
index 0000000000..de08541583
--- /dev/null
+++ b/examples/hyper/log.hyper.global.g++.4
@@ -0,0 +1,1243 @@
+LAMMPS (10 Oct 2018)
+# 3d EAM surface for global HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 500.0
+variable        Vmax index 0.5
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        cutevent index 1.1
+variable        steps index 100000
+variable        nevent index 1000
+variable        zoom index 1.8
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+
+lattice		fcc 3.92
+Lattice spacing in x,y,z = 3.92 3.92 3.92
+region		box block 0 6 0 6 0 4
+create_box	3 box
+Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
+  2 by 2 by 1 MPI processor grid
+create_atoms	1 box
+Created 576 atoms
+  Time spent = 0.000782013 secs
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f
+  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
+create_atoms    2 single 3.5 3.5 4
+Created 1 atoms
+  Time spent = 4.69685e-05 secs
+
+# define frozen substrate and mobile atoms
+
+group           adatom type 2
+1 atoms in group adatom
+region          base block INF INF INF INF 0 1.8
+set             region base type 3
+  288 settings made for type
+group           base type 3
+288 atoms in group base
+group           mobile type 1 2
+289 atoms in group mobile
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
+fix		2 mobile langevin 500.0 ${Tequil} 1.0 858872873 zero yes
+fix		2 mobile langevin 500.0 500.0 1.0 858872873 zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
+
+# thermal equilibration
+
+run             1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 6.07583
+  binsize = 3.03792, bins = 8 8 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.327 | 3.327 | 3.327 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -3213.9136            0   -3213.9136   -51843.125 
+     100    211.06271   -3209.3285            0   -3201.4713   -27323.825 
+     200    320.80707   -3205.3715            0   -3193.4289   -39370.402 
+     300    393.66139    -3202.607            0   -3187.9522   -32163.403 
+     400    401.11987   -3200.2795            0    -3185.347   -35961.543 
+     500    472.27798   -3200.7267            0   -3183.1452   -33044.974 
+     600    485.16253    -3199.818            0   -3181.7569   -34242.615 
+     700    464.85129    -3199.865            0     -3182.56   -35327.179 
+     800    518.91236   -3199.4098            0   -3180.0923     -32088.2 
+     900    502.76061   -3199.3972            0    -3180.681   -36944.263 
+    1000    522.64479   -3200.0627            0   -3180.6063   -32801.856 
+Loop time of 0.333434 on 4 procs for 1000 steps with 577 atoms
+
+Performance: 1295.607 ns/day, 0.019 hours/ns, 2999.091 timesteps/s
+99.5% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.25639    | 0.2636     | 0.2708     |   1.0 | 79.06
+Neigh   | 0.017381   | 0.017991   | 0.018988   |   0.4 |  5.40
+Comm    | 0.026086   | 0.034315   | 0.042505   |   3.2 | 10.29
+Output  | 0.00022078 | 0.00023323 | 0.00026107 |   0.0 |  0.07
+Modify  | 0.013295   | 0.013709   | 0.014107   |   0.2 |  4.11
+Other   |            | 0.003584   |            |       |  1.07
+
+Nlocal:    144.25 ave 149 max 139 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    530.5 ave 536 max 526 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs:    3471.75 ave 3626 max 3292 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+
+Total # of neighbors = 13887
+Ave neighs/atom = 24.0676
+Neighbor list builds = 88
+Dangerous builds = 0
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+compute         event all event/displace 1.1
+
+# hyper/global
+
+fix             HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
+fix             HG mobile hyper/global 3.2 0.3 0.5 500.0
+
+# thermo output
+
+thermo_style    custom step temp pe f_HG f_HG[*]
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
+
+thermo          ${nevent}
+thermo          1000
+
+# dump output options
+
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
+
+dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump		1 all image 1000000 global.*.jpg v_acolor type 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
+
+# run
+
+hyper           ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
+hyper           100000 ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
+hyper           100000 1000 HG event min 1.0e-6 1.0e-6 100 100 dump 1
+WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 6.07583
+  binsize = 3.03792, bins = 8 8 7
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix hyper/global, occasional, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+       0    522.64479   -3200.0627            0            0            0            0            0            0            0            0            0            0            0            0 
+      13    522.64479   -3217.9151            0            0            0            0            0            0            0            0            0            0            0            0 
+Loop time of 0.0106812 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+       0    522.64479   -3200.0627   0.39402008    9365.7631   0.13811729          429          426    6.0069324            0   0.36151295    3.1652084            0            0            0 
+    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
+Loop time of 0.314234 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
+    1014    512.35059   -3217.9161   0.32845525    2044.9347   0.17572153          257          259    6.0069324   0.13510848   0.77425934    3.8913771    5302.7599            0            0 
+Loop time of 0.0071606 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    1000    512.35059   -3198.5556   0.32845525    2044.9347   0.17572153          257          259    6.0069324        0.137   0.77425934    3.8913771    5302.7599            0            0 
+    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
+Loop time of 0.33185 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
+    2015    502.60215   -3217.9155   0.01351505    1.3684394   0.29591771          116          127    6.0069324   0.10223325   0.77425934    3.8913771    11603.458            0            0 
+Loop time of 0.00889879 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    2000    502.60215   -3197.7892   0.01351505    1.3684394   0.29591771          116          127    6.0069324        0.103   0.77425934    3.8913771    11603.458            0            0 
+    3000    481.01481   -3199.1324            0            1    1.0289113          542          544    6.0069324        0.212    2.8308749    5.5814852    12488.613            0            0 
+Loop time of 0.334598 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    3000    481.01481   -3199.1324            0            1    1.0289113          542          544    6.0069324        0.212    2.8308749    5.5814852    12488.613            0            0 
+    3014    481.01481    -3217.916            0            1    1.0289113          542          544    6.0069324   0.21101526    2.8308749    5.5814852    12488.613            0            0 
+Loop time of 0.0103227 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    3000    481.01481   -3199.1324   0.25134819    341.56656   0.21155927          277          539    6.0069324        0.212    2.8308749    5.5814852    12488.613            1            2 
+    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
+Loop time of 0.302547 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
+    4014    474.51721   -3217.9172   0.26384891    456.53799   0.20617274          361           83    6.0069324   0.18261086    2.8308749    5.5814852     22776.39            1            2 
+Loop time of 0.00868511 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    4000    474.51721   -3197.9082   0.26384891    456.53799   0.20617274          361           83    6.0069324      0.18325    2.8308749    5.5814852     22776.39            1            2 
+    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
+Loop time of 0.300419 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
+    5015    478.08772   -3217.9131  0.043886568    2.7692147    0.2865317          275          577    6.0069324   0.15812562    2.8308749    5.5814852    35085.309            1            2 
+Loop time of 0.00705171 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    5000    478.08772   -3199.6792  0.043886568    2.7692147    0.2865317          275          577    6.0069324       0.1586    2.8308749    5.5814852    35085.309            1            2 
+    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
+Loop time of 0.287999 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
+    6015    458.77612   -3217.9165   0.27710376    620.98321   0.20030308          511          546    6.0069324   0.17057357    2.8308749    5.5814852    38747.284            1            2 
+Loop time of 0.00888014 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    6000    458.77612   -3197.8588   0.27710376    620.98321   0.20030308          511          546    6.0069324        0.171    2.8308749    5.5814852    38747.284            1            2 
+    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
+Loop time of 0.29168 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
+    7015    476.88452   -3217.9146    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17676408    2.8308749    5.5814852    45612.389            1            2 
+Loop time of 0.00871038 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    7000    476.88452   -3198.3269    0.0828164    6.8352063   0.27403111          264          275    6.0069324   0.17714286    2.8308749    5.5814852    45612.389            1            2 
+    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
+Loop time of 0.284021 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
+    8015    521.60584   -3217.9163   0.22715857    194.82964   0.22161105          419          124    6.0069324   0.19151591    2.8308749    5.5814852    46748.053            1            2 
+Loop time of 0.00697637 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    8000    521.60584   -3199.0138   0.22715857    194.82964   0.22161105          419          124    6.0069324     0.191875    2.8308749    5.5814852    46748.053            1            2 
+    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
+Loop time of 0.238759 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
+    9014    496.87475   -3217.9149   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18360328    2.8308749    5.5814852    49596.596            1            2 
+Loop time of 0.00677681 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+    9000    496.87475   -3198.4928   0.13677449    23.912479   0.25569629          264          275    6.0069324   0.18388889    2.8308749    5.5814852    49596.596            1            2 
+   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
+Loop time of 0.23881 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
+   10013     478.6826   -3217.9144   0.37406677    5894.1727    0.1505589          127          132    6.0069324   0.19794267    2.8308749    5.5814852    54170.476            1            2 
+Loop time of 0.00627023 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   10000     478.6826   -3199.6673   0.37406677    5894.1727    0.1505589          127          132    6.0069324       0.1982    2.8308749    5.5814852    54170.476            1            2 
+   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
+Loop time of 0.238288 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
+   11013    518.40222    -3217.915   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18786888    2.8308749    5.5814852    58304.709            1            2 
+Loop time of 0.00599569 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   11000    518.40222   -3199.3332   0.34753231    3183.9595   0.16566286          383          418    6.0069324   0.18809091    2.8308749    5.5814852    58304.709            1            2 
+   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
+Loop time of 0.23842 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
+   12013    552.07348   -3217.9165 0.0063435549    1.1586177   0.29809086          144          143    6.0069324    0.1799717    2.8308749    5.5814852    66990.451            1            2 
+Loop time of 0.00602174 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   12000    552.07348   -3197.6675 0.0063435549    1.1586177   0.29809086          144          143    6.0069324   0.18016667    2.8308749    5.5814852    66990.451            1            2 
+   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
+Loop time of 0.237671 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
+   13014    471.13412   -3217.9158   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17319809    2.8308749    5.5814852    74345.114            1            2 
+Loop time of 0.00647223 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   13000    471.13412   -3198.1314   0.30918747    1307.5821   0.18532743          116          123    6.0069324   0.17338462    2.8308749    5.5814852    74345.114            1            2 
+   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
+Loop time of 0.238789 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
+   14015    470.81692   -3217.9147   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18216197    2.8308749    5.5814852    76252.748            1            2 
+Loop time of 0.00651169 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   14000    470.81692   -3198.8871   0.10763953    12.160669   0.26575343          275          577    6.0069324   0.18235714    2.8308749    5.5814852    76252.748            1            2 
+   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
+Loop time of 0.23755 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
+   15014     473.2435   -3217.9161   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18536033    2.8308749    5.5814852    81659.641            1            2 
+Loop time of 0.00644851 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   15000     473.2435   -3199.0907   0.20712247    122.37713   0.22960391          569          570    6.0069324   0.18553333    2.8308749    5.5814852    81659.641            1            2 
+   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
+Loop time of 0.240195 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
+   16015    504.33627   -3217.9137  0.036898146    2.3545967   0.28871843          264          275    6.0069324   0.19968779    2.8308749    5.5814852    82224.366            1            2 
+Loop time of 0.00684911 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   16000    504.33627   -3199.1713  0.036898146    2.3545967   0.28871843          264          275    6.0069324     0.199875    2.8308749    5.5814852    82224.366            1            2 
+   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
+Loop time of 0.240567 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
+   17016    497.60607   -3217.9161 0.0067178767    1.1687272   0.29797782          264          275    6.0069324   0.21679596    2.8308749    5.5814852     82242.51            1            2 
+Loop time of 0.00708336 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   17000    497.60607    -3198.212 0.0067178767    1.1687272   0.29797782          264          275    6.0069324        0.217    2.8308749    5.5814852     82242.51            1            2 
+   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
+Loop time of 0.240636 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
+   18014    523.92168   -3217.9153   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22427001    2.8308749    5.5814852    82304.143            1            2 
+Loop time of 0.00646216 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   18000    523.92168    -3199.831   0.21046671    132.25396   0.22828927          264          275    6.0069324   0.22444444    2.8308749    5.5814852    82304.143            1            2 
+   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
+Loop time of 0.239259 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
+   19014    538.76557   -3217.9141  0.036295998    2.3219194   0.28890608          397          400    6.0069324   0.22783212    2.8308749    5.5814852    83487.232            1            2 
+Loop time of 0.0061307 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   19000    538.76557   -3198.7203  0.036295998    2.3219194   0.28890608          397          400    6.0069324        0.228    2.8308749    5.5814852    83487.232            1            2 
+   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
+Loop time of 0.241751 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
+   20014     483.9598   -3217.9137   0.13750177    24.319538   0.25544017          400          131    6.0069324   0.21854702    2.8308749    5.5814852    91177.618            1            2 
+Loop time of 0.00646776 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   20000     483.9598   -3198.1166   0.13750177    24.319538   0.25544017          400          131    6.0069324       0.2187    2.8308749    5.5814852    91177.618            1            2 
+   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
+Loop time of 0.239403 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
+   21014    518.44073   -3217.9126   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21257257    2.8308749    5.5814852     99740.17            1            2 
+Loop time of 0.00643963 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   21000    518.44073   -3199.7932   0.30241436    1117.3756   0.18858795          553          577    6.0069324   0.21271429    2.8308749    5.5814852     99740.17            1            2 
+   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
+Loop time of 0.241227 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
+   22033    518.95823    -3217.916            0            1    0.4887755          262          263    6.0069324   0.22293832    2.8308749    5.5814852    103304.87            1            2 
+Loop time of 0.015579 on 4 procs for 33 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   22000    518.95823   -3198.6693            0            1    0.4887755          262          263    6.0069324   0.22327273    2.8308749    5.5814852    103304.87            1            2 
+   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
+Loop time of 0.240257 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
+   23015    534.01428   -3217.9147   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22454921    2.8308749    5.5814852    108159.84            1            2 
+Loop time of 0.0067718 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   23000    534.01428   -3197.6551   0.10264812    10.830446   0.26743848          136          431    6.0069324   0.22469565    2.8308749    5.5814852    108159.84            1            2 
+   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
+Loop time of 0.241014 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
+   24014    502.61915   -3217.9149   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21870575    2.8308749    5.5814852    115124.63            1            2 
+Loop time of 0.006706 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   24000    502.61915   -3198.9796   0.22019457    165.75289   0.22442143          132          143    6.0069324   0.21883333    2.8308749    5.5814852    115124.63            1            2 
+   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
+Loop time of 0.239452 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
+   25013    510.27664   -3217.9127   0.34609419    3079.4414   0.16644232          120          119    6.0069324    0.2150082    2.8308749    5.5814852    118042.99            1            2 
+Loop time of 0.00622821 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   25000    510.27664   -3200.7431   0.34609419    3079.4414   0.16644232          120          119    6.0069324      0.21512    2.8308749    5.5814852    118042.99            1            2 
+   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
+Loop time of 0.271219 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
+   26015    511.79717   -3217.9147   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21260811    2.8308749    5.5814852    124902.88            1            2 
+Loop time of 0.0105773 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   26000    511.79717   -3198.2999   0.19492582    92.206933   0.23433598          263          577    6.0069324   0.21273077    2.8308749    5.5814852    124902.88            1            2 
+   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
+Loop time of 0.293879 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
+   27015    487.73368   -3217.9161   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20803257    2.8308749    5.5814852    130713.79            1            2 
+Loop time of 0.00895333 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   27000    487.73368   -3197.4904   0.19560731     93.67693    0.2340741          401          572    6.0069324   0.20814815    2.8308749    5.5814852    130713.79            1            2 
+   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
+Loop time of 0.286141 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
+   28014    468.95408   -3217.9167    0.3457758    3056.7694    0.1666144          549          515    6.0069324   0.20389805    2.8308749    5.5814852     135376.2            1            2 
+Loop time of 0.00648469 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   28000    468.95408   -3198.4177    0.3457758    3056.7694    0.1666144          549          515    6.0069324        0.204    2.8308749    5.5814852     135376.2            1            2 
+   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
+Loop time of 0.24066 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
+   29014    518.03534   -3217.9137  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20021369    2.8308749    5.5814852    143604.35            1            2 
+Loop time of 0.0063417 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   29000    518.03534   -3198.1622  0.029706116    1.9926184   0.29095171          267          260    6.0069324   0.20031034    2.8308749    5.5814852    143604.35            1            2 
+   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
+Loop time of 0.259515 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
+   30014    535.78782   -3217.9119   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19587526    2.8308749    5.5814852    150106.09            1            2 
+Loop time of 0.0123347 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   30000    535.78782   -3198.3125   0.33831746    2570.9054   0.17059559          122          124    6.0069324   0.19596667    2.8308749    5.5814852    150106.09            1            2 
+   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
+Loop time of 0.321976 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
+   31014    547.06872   -3217.9165   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19978074    2.8308749    5.5814852    151076.53            1            2 
+Loop time of 0.00811768 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   31000    547.06872   -3198.3217   0.21707776    154.18603   0.22566791          275          577    6.0069324   0.19987097    2.8308749    5.5814852    151076.53            1            2 
+   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
+Loop time of 0.290834 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
+   32013    469.53603   -3217.9147   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20163684    2.8308749    5.5814852    152526.06            1            2 
+Loop time of 0.00746775 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   32000    469.53603    -3199.325   0.35776457    4037.4217   0.16000743          563          268    6.0069324   0.20171875    2.8308749    5.5814852    152526.06            1            2 
+   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
+Loop time of 0.243351 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
+   33014    491.33889   -3217.9155   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19824923    2.8308749    5.5814852    156385.66            1            2 
+Loop time of 0.00658584 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   33000    491.33889   -3199.1986   0.32620326    1940.7983   0.17687118          258          228    6.0069324   0.19833333    2.8308749    5.5814852    156385.66            1            2 
+   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
+Loop time of 0.238415 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
+   34016    503.19322   -3217.9158  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19784807    2.8308749    5.5814852    161964.99            1            2 
+Loop time of 0.00771642 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   34000    503.19322   -3198.8767  0.050333006    3.2161315   0.28449966          275          577    6.0069324   0.19794118    2.8308749    5.5814852    161964.99            1            2 
+   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
+Loop time of 0.240164 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
+   35015    513.68037   -3217.9147   0.26004762    417.98593   0.20782548          264          275    6.0069324   0.19891475    2.8308749    5.5814852    164995.25            1            2 
+Loop time of 0.00711012 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   35000    513.68037   -3197.8169   0.26004762    417.98593   0.20782548          264          275    6.0069324        0.199    2.8308749    5.5814852    164995.25            1            2 
+   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
+Loop time of 0.240289 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
+   36014    508.23462   -3217.9163  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20061643    2.8308749    5.5814852    167465.14            1            2 
+Loop time of 0.00642586 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   36000    508.23462   -3199.0337  0.009260286    1.2397653   0.29720893          563          564    6.0069324   0.20069444    2.8308749    5.5814852    167465.14            1            2 
+   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
+Loop time of 0.239462 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
+   37015    500.95069    -3217.916  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19775767    2.8308749    5.5814852    169290.01            1            2 
+Loop time of 0.00713468 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   37000    500.95069   -3199.7129  0.024475083     1.764809   0.29256535          275          577    6.0069324   0.19783784    2.8308749    5.5814852    169290.01            1            2 
+   38000    495.41803   -3199.6385            0            1    1.0152866          262          275    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            1            2 
+Loop time of 0.239667 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   38000    495.41803   -3199.6385            0            1    1.0152866          262          275    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            1            2 
+   38013    495.41803   -3217.9157            0            1    1.0152866          262          275    6.0069324   0.21787283    2.8308749    5.5814852     169297.9            1            2 
+Loop time of 0.00627661 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   38000    495.41803   -3199.6385   0.39298625    9143.7129   0.13878932          430          431    6.0069324   0.21794737    2.8308749    5.5814852     169297.9            2            4 
+   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
+Loop time of 0.238329 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
+   39015    469.05202    -3217.917   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21402025    2.8308749    5.5814852    175842.05            2            4 
+Loop time of 0.00683451 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   39000    469.05202   -3196.0515   0.10638057    11.810485   0.26617945          408          415    6.0069324   0.21410256    2.8308749    5.5814852    175842.05            2            4 
+   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
+Loop time of 0.23954 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
+   40014    542.78328   -3217.9148   0.18612218    75.166934    0.2376931          567          560    6.0069324   0.21420003    2.8308749    5.5814852    179412.45            2            4 
+Loop time of 0.00652599 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   40000    542.78328   -3198.4918   0.18612218    75.166934    0.2376931          567          560    6.0069324     0.214275    2.8308749    5.5814852    179412.45            2            4 
+   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
+Loop time of 0.239863 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
+   41014    548.99015   -3217.9174   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21107427    2.8308749    5.5814852    184564.49            2            4 
+Loop time of 0.00668764 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   41000    548.99015   -3197.5893   0.30318345    1137.4995   0.18822056          124          135    6.0069324   0.21114634    2.8308749    5.5814852    184564.49            2            4 
+   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
+Loop time of 0.238458 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
+   42014     492.4929   -3217.9154   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20947779    2.8308749    5.5814852    187620.86            2            4 
+Loop time of 0.00658375 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   42000     492.4929   -3198.0535   0.31406773    1464.4003   0.18294209          262          264    6.0069324   0.20954762    2.8308749    5.5814852    187620.86            2            4 
+   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
+Loop time of 0.240476 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
+   43015    524.32334   -3217.9151     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20885738    2.8308749    5.5814852    189618.98            2            4 
+Loop time of 0.00655174 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   43000    524.32334   -3199.9723     0.171134    53.082676   0.24330204          287          276    6.0069324   0.20893023    2.8308749    5.5814852    189618.98            2            4 
+   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
+Loop time of 0.240179 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
+   44015    490.60365   -3217.9148   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21011019    2.8308749    5.5814852    193452.76            2            4 
+Loop time of 0.00717342 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   44000    490.60365   -3198.9839   0.12604882    18.642955   0.25944404          544          276    6.0069324   0.21018182    2.8308749    5.5814852    193452.76            2            4 
+   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
+Loop time of 0.24121 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
+   45013    516.91704   -3217.9155   0.30358614    1148.1804   0.18802791          114          120    6.0069324   0.20913958    2.8308749    5.5814852    194591.87            2            4 
+Loop time of 0.00649601 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   45000    516.91704    -3198.746   0.30358614    1148.1804   0.18802791          114          120    6.0069324       0.2092    2.8308749    5.5814852    194591.87            2            4 
+   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
+Loop time of 0.239441 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
+   46015     511.1774   -3217.9159   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20762795    2.8308749    5.5814852    199937.52            2            4 
+Loop time of 0.00681973 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   46000     511.1774   -3196.9369   0.25070338    336.49294   0.21183341          138          259    6.0069324   0.20769565    2.8308749    5.5814852    199937.52            2            4 
+   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
+Loop time of 0.24022 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
+   47016     480.5069   -3217.9167  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20595117    2.8308749    5.5814852    202107.88            2            4 
+Loop time of 0.007438 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   47000     480.5069   -3198.8501  0.071646863    5.2743358   0.27767529          544          556    6.0069324   0.20602128    2.8308749    5.5814852    202107.88            2            4 
+   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
+Loop time of 0.241529 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
+   48015    540.51895   -3217.9148   0.04754734    3.0147795   0.28537953          544          556    6.0069324   0.20843486    2.8308749    5.5814852    202899.91            2            4 
+Loop time of 0.00695753 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   48000    540.51895   -3198.5792   0.04754734    3.0147795   0.28537953          544          556    6.0069324       0.2085    2.8308749    5.5814852    202899.91            2            4 
+   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
+Loop time of 0.241009 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
+   49013    527.63013   -3217.9157   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20955665    2.8308749    5.5814852    210926.93            2            4 
+Loop time of 0.00608408 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   49000    527.63013   -3199.0384   0.28400417    728.84104   0.19717822          544          577    6.0069324   0.20961224    2.8308749    5.5814852    210926.93            2            4 
+   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
+Loop time of 0.239941 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
+   50013    516.69962   -3217.9156   0.35295929    3611.3455   0.16268782          266          243    6.0069324   0.20892568    2.8308749    5.5814852    215664.98            2            4 
+Loop time of 0.00602353 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   50000    516.69962   -3198.3346   0.35295929    3611.3455   0.16268782          266          243    6.0069324      0.20898    2.8308749    5.5814852    215664.98            2            4 
+   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
+Loop time of 0.240274 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
+   51015    533.05598   -3217.9143   0.17474232    57.719563    0.2419636          123          128    6.0069324   0.20644908    2.8308749    5.5814852     221609.1            2            4 
+Loop time of 0.00743866 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   51000    533.05598   -3198.0432   0.17474232    57.719563    0.2419636          123          128    6.0069324    0.2065098    2.8308749    5.5814852     221609.1            2            4 
+   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
+Loop time of 0.239709 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
+   52017    545.98999   -3217.9153            0            1   0.30964409          287          276    6.0069324   0.20326047    2.8308749    5.5814852    230246.21            2            4 
+Loop time of 0.00786757 on 4 procs for 17 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   52000    545.98999   -3198.2633            0            1   0.30964409          287          276    6.0069324   0.20332692    2.8308749    5.5814852    230246.21            2            4 
+   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
+Loop time of 0.240351 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
+   53014    453.58658   -3217.9131   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20360659    2.8308749    5.5814852    233492.88            2            4 
+Loop time of 0.0067966 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   53000    453.58658   -3199.3577   0.23959479     260.0198   0.21650159          278          279    6.0069324   0.20366038    2.8308749    5.5814852    233492.88            2            4 
+   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
+Loop time of 0.238634 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
+   54014    502.12681   -3217.9165   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20259562    2.8308749    5.5814852    239627.25            2            4 
+Loop time of 0.00671387 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   54000    502.12681   -3199.1712   0.28827435     804.7747   0.19521941          550          563    6.0069324   0.20264815    2.8308749    5.5814852    239627.25            2            4 
+   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
+Loop time of 0.240888 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
+   55013     470.7967   -3217.9136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20037082    2.8308749    5.5814852    246248.56            2            4 
+Loop time of 0.00596166 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   55000     470.7967   -3197.4136   0.31075641    1356.0734   0.18456394          285          283    6.0069324   0.20041818    2.8308749    5.5814852    246248.56            2            4 
+   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
+Loop time of 0.239487 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
+   56014    533.34641   -3217.9162   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19921805    2.8308749    5.5814852    252499.61            2            4 
+Loop time of 0.00619745 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   56000    533.34641   -3198.1323   0.16761369    48.918113   0.24460077          287          276    6.0069324   0.19926786    2.8308749    5.5814852    252499.61            2            4 
+   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
+Loop time of 0.241093 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
+   57016    516.06876   -3217.9146            0            1   0.33139119          287          276    6.0069324   0.19801459    2.8308749    5.5814852    255923.67            2            4 
+Loop time of 0.00772929 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   57000    516.06876   -3197.7671            0            1   0.33139119          287          276    6.0069324   0.19807018    2.8308749    5.5814852    255923.67            2            4 
+   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
+Loop time of 0.239761 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
+   58014    489.18902   -3217.9165   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20089978    2.8308749    5.5814852    256132.07            2            4 
+Loop time of 0.00660753 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   58000    489.18902   -3198.6347   0.20937806    128.95422   0.22871806          544          276    6.0069324   0.20094828    2.8308749    5.5814852    256132.07            2            4 
+   59000    522.75445   -3197.4454            0            1   0.91317104          274          556    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            2            4 
+Loop time of 0.241627 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   59000    522.75445   -3197.4454            0            1   0.91317104          274          556    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            2            4 
+   59013    522.75445   -3217.9138            0            1   0.91317104          274          556    6.0069324   0.20300612    2.8308749    5.5814852    259828.37            2            4 
+Loop time of 0.00618345 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   59000    522.75445   -3197.4454   0.40114631    11050.253    0.1333929          547          548    6.0069324   0.20305085    2.8308749    5.5814852    259828.37            3            6 
+   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
+Loop time of 0.239681 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
+   60015    552.18712   -3217.9157   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20121636    2.8308749    5.5814852    263208.58            3            6 
+Loop time of 0.00685382 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   60000    552.18712   -3197.1906   0.21473769    146.03543   0.22659924          559          564    6.0069324   0.20126667    2.8308749    5.5814852    263208.58            3            6 
+   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
+Loop time of 0.239598 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
+   61014    450.24979   -3217.9146   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20098666    2.8308749    5.5814852    267126.63            3            6 
+Loop time of 0.00683248 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   61000    450.24979    -3197.259   0.20870055    126.94235    0.2289845          412          411    6.0069324   0.20103279    2.8308749    5.5814852    267126.63            3            6 
+   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
+Loop time of 0.238224 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
+   62014    506.89399   -3217.9156   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20069662    2.8308749    5.5814852    270687.24            3            6 
+Loop time of 0.00685287 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   62000    506.89399   -3197.4659   0.20762728    123.81933   0.22940595          256          267    6.0069324   0.20074194    2.8308749    5.5814852    270687.24            3            6 
+   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
+Loop time of 0.238676 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
+   63014    510.04068   -3217.9141  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19925731    2.8308749    5.5814852     274694.1            3            6 
+Loop time of 0.00670481 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   63000    510.04068   -3196.8255  0.063053561     4.320671   0.28044671          112          123    6.0069324   0.19930159    2.8308749    5.5814852     274694.1            3            6 
+   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
+Loop time of 0.238342 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
+   64014    501.25574   -3217.9141  0.083024533    6.8683042   0.27396274          286          119    6.0069324   0.19995626    2.8308749    5.5814852    276114.67            3            6 
+Loop time of 0.00604939 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   64000    501.25574   -3197.7101  0.083024533    6.8683042   0.27396274          286          119    6.0069324          0.2    2.8308749    5.5814852    276114.67            3            6 
+   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
+Loop time of 0.239458 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
+   65014    476.31749    -3217.913   0.15323867     35.04097   0.24983402          267          260    6.0069324    0.1983419    2.8308749    5.5814852    282281.34            3            6 
+Loop time of 0.00661784 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   65000    476.31749   -3199.3383   0.15323867     35.04097   0.24983402          267          260    6.0069324   0.19838462    2.8308749    5.5814852    282281.34            3            6 
+   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
+Loop time of 0.239712 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
+   66014    515.81365   -3217.9165   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19915472    2.8308749    5.5814852    284618.61            3            6 
+Loop time of 0.00680089 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   66000    515.81365   -3198.7056   0.21680106    153.19903   0.22577823          416          415    6.0069324   0.19919697    2.8308749    5.5814852    284618.61            3            6 
+   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
+Loop time of 0.239938 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
+   67014    484.31519   -3217.9146   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19842123    2.8308749    5.5814852    289586.09            3            6 
+Loop time of 0.00659657 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   67000    484.31519   -3197.7852   0.13298902    21.901246   0.25702524          275          567    6.0069324   0.19846269    2.8308749    5.5814852    289586.09            3            6 
+   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
+Loop time of 0.240483 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
+   68014    484.02912   -3217.9156   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19717999    2.8308749    5.5814852    298036.66            3            6 
+Loop time of 0.00666052 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   68000    484.02912    -3199.084   0.23443259    230.66083   0.21863699          412          423    6.0069324   0.19722059    2.8308749    5.5814852    298036.66            3            6 
+   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
+Loop time of 0.23984 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
+   69015    516.84151   -3217.9163   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19601536    2.8308749    5.5814852    302894.58            3            6 
+Loop time of 0.0070501 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   69000    516.84151   -3198.3447   0.20394137    113.66746   0.23084747          119          400    6.0069324   0.19605797    2.8308749    5.5814852    302894.58            3            6 
+   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
+Loop time of 0.240016 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
+   70014    521.52008   -3217.9145   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19467535    2.8308749    5.5814852    308489.53            3            6 
+Loop time of 0.00656152 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   70000    521.52008   -3198.1925   0.26533657    472.57625    0.2055223          128          139    6.0069324   0.19471429    2.8308749    5.5814852    308489.53            3            6 
+   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
+Loop time of 0.238921 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
+   71016    456.91639   -3217.9154  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19749071    2.8308749    5.5814852    308872.53            3            6 
+Loop time of 0.00665921 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   71000    456.91639   -3199.2364  0.030609593    2.0348424   0.29067211          555          275    6.0069324   0.19753521    2.8308749    5.5814852    308872.53            3            6 
+   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
+Loop time of 0.238494 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
+   72014    505.77427   -3217.9154  0.011213996    1.2972748   0.29661672          275          567    6.0069324    0.2001833    2.8308749    5.5814852    308922.44            3            6 
+Loop time of 0.00666285 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   72000    505.77427   -3198.8053  0.011213996    1.2972748   0.29661672          275          567    6.0069324   0.20022222    2.8308749    5.5814852    308922.44            3            6 
+   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
+Loop time of 0.240884 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
+   73014    505.42011   -3217.9145     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19985208    2.8308749    5.5814852    312318.94            3            6 
+Loop time of 0.00641418 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   73000    505.42011   -3198.5745     0.241922    274.45031   0.21553199          262          544    6.0069324   0.19989041    2.8308749    5.5814852    312318.94            3            6 
+   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
+Loop time of 0.239838 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
+   74014    525.14325   -3217.9164  0.091100202    8.2841621   0.27129682          403          404    6.0069324    0.1988948    2.8308749    5.5814852    316054.12            3            6 
+Loop time of 0.00640178 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   74000    525.14325   -3197.1366  0.091100202    8.2841621   0.27129682          403          404    6.0069324   0.19893243    2.8308749    5.5814852    316054.12            3            6 
+   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
+Loop time of 0.241485 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
+   75015    529.75357   -3217.9131   0.27468673      587.107   0.20138617          262          553    6.0069324   0.19736053    2.8308749    5.5814852    320757.39            3            6 
+Loop time of 0.00727272 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   75000    529.75357   -3196.8628   0.27468673      587.107   0.20138617          262          553    6.0069324       0.1974    2.8308749    5.5814852    320757.39            3            6 
+   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
+Loop time of 0.246189 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
+   76015    494.67435   -3217.9124  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19740841    2.8308749    5.5814852    321584.51            3            6 
+Loop time of 0.00856209 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   76000    494.67435    -3197.324  0.026840032    1.8643837   0.29183693          555          275    6.0069324   0.19744737    2.8308749    5.5814852    321584.51            3            6 
+   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
+Loop time of 0.244489 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
+   77014     478.4265   -3217.9158  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19798998    2.8308749    5.5814852    323214.67            3            6 
+Loop time of 0.00662231 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   77000     478.4265   -3198.3778  0.099536255    10.075814   0.26848366          283          272    6.0069324   0.19802597    2.8308749    5.5814852    323214.67            3            6 
+   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
+Loop time of 0.238902 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
+   78014    501.53059   -3217.9148  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19642628    2.8308749    5.5814852    328321.34            3            6 
+Loop time of 0.00632596 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   78000    501.53059   -3199.1386  0.013408722    1.3650665   0.29595005          420          431    6.0069324   0.19646154    2.8308749    5.5814852    328321.34            3            6 
+   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
+Loop time of 0.238987 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
+   79014    500.93975   -3217.9148     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19502873    2.8308749    5.5814852    333018.93            3            6 
+Loop time of 0.00644779 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   79000    500.93975   -3198.0923     0.116093    14.796691   0.26287499          428          543    6.0069324   0.19506329    2.8308749    5.5814852    333018.93            3            6 
+   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
+Loop time of 0.238806 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
+   80014    521.43512   -3217.9164   0.15540998    36.852069    0.2490506          253          136    6.0069324   0.19359112    2.8308749    5.5814852    337716.24            3            6 
+Loop time of 0.00644064 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   80000    521.43512   -3199.0487   0.15540998    36.852069    0.2490506          253          136    6.0069324     0.193625    2.8308749    5.5814852    337716.24            3            6 
+   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
+Loop time of 0.240714 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
+   81015    533.69561   -3217.9142   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19218663    2.8308749    5.5814852    343062.81            3            6 
+Loop time of 0.00675607 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   81000    533.69561   -3197.1168   0.24520241     296.1616   0.21415781          575          280    6.0069324   0.19222222    2.8308749    5.5814852    343062.81            3            6 
+   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
+Loop time of 0.239094 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
+   82014    522.58314    -3217.917   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19127222    2.8308749    5.5814852    347897.31            3            6 
+Loop time of 0.00662041 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   82000    522.58314   -3197.6951   0.34607713    3078.2225   0.16645154          569          570    6.0069324   0.19130488    2.8308749    5.5814852    347897.31            3            6 
+   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
+Loop time of 0.240335 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
+   83015    518.24081   -3217.9151   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18974884    2.8308749    5.5814852    355870.51            3            6 
+Loop time of 0.00710487 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   83000    518.24081   -3196.6457   0.27556929    599.25687   0.20099136          512          523    6.0069324   0.18978313    2.8308749    5.5814852    355870.51            3            6 
+   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
+Loop time of 0.239069 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
+   84014    524.77376   -3217.9145   0.32714869    1983.8549   0.17638944          275          567    6.0069324   0.18896851    2.8308749    5.5814852    358623.76            3            6 
+Loop time of 0.00662088 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   84000    524.77376   -3198.1195   0.32714869    1983.8549   0.17638944          275          567    6.0069324        0.189    2.8308749    5.5814852    358623.76            3            6 
+   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
+Loop time of 0.240117 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
+   85014    485.77334   -3217.9148 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19099207    2.8308749    5.5814852    362933.93            3            6 
+Loop time of 0.00642967 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   85000    485.77334   -3199.2545 0.0027767134    1.0665667   0.29916583          275          567    6.0069324   0.19102353    2.8308749    5.5814852    362933.93            3            6 
+   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
+Loop time of 0.23899 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
+   86014    520.32504   -3217.9156   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19178273    2.8308749    5.5814852    366756.98            3            6 
+Loop time of 0.00667548 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   86000    520.32504   -3197.8586   0.34074416     2719.857   0.16931052          572          403    6.0069324   0.19181395    2.8308749    5.5814852    366756.98            3            6 
+   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
+Loop time of 0.241176 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
+   87014    492.06505   -3217.9141   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19093479    2.8308749    5.5814852    370757.69            3            6 
+Loop time of 0.00634283 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   87000    492.06505   -3198.9245   0.35508545    3794.0215   0.16150733          282          284    6.0069324   0.19096552    2.8308749    5.5814852    370757.69            3            6 
+   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
+Loop time of 0.239888 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
+   88014     519.1972   -3217.9152   0.27684477    617.26171   0.20041941          411          416    6.0069324   0.19021974    2.8308749    5.5814852    375119.46            3            6 
+Loop time of 0.00669366 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   88000     519.1972   -3199.3527   0.27684477    617.26171   0.20041941          411          416    6.0069324      0.19025    2.8308749    5.5814852    375119.46            3            6 
+   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
+Loop time of 0.241238 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
+   89014    524.26014   -3217.9158    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19217202    2.8308749    5.5814852    375708.76            3            6 
+Loop time of 0.00632095 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   89000    524.26014   -3198.5355    0.3001416    1059.9631   0.18966948          432          431    6.0069324   0.19220225    2.8308749    5.5814852    375708.76            3            6 
+   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
+Loop time of 0.240092 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
+   90013    498.11952   -3217.9105    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19209448    2.8308749    5.5814852    380021.68            3            6 
+Loop time of 0.00614023 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   90000    498.11952   -3200.0434    0.2737435    574.39407   0.20180726           96          141    6.0069324   0.19212222    2.8308749    5.5814852    380021.68            3            6 
+   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
+Loop time of 0.240887 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
+   91015      518.719   -3217.9166            0            1   0.38452588          128          139    6.0069324   0.19134209    2.8308749    5.5814852    386325.64            3            6 
+Loop time of 0.00709724 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   91000      518.719   -3198.4974            0            1   0.38452588          128          139    6.0069324   0.19137363    2.8308749    5.5814852    386325.64            3            6 
+   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
+Loop time of 0.241415 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
+   92014    489.88256   -3217.9165   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19184037    2.8308749    5.5814852    387621.28            3            6 
+Loop time of 0.00761282 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   92000    489.88256   -3197.3306   0.22381505    180.28261   0.22296478          554          556    6.0069324   0.19186957    2.8308749    5.5814852    387621.28            3            6 
+   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
+Loop time of 0.242326 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
+   93015    470.86218   -3217.9141            0            1   0.35506745          275          567    6.0069324   0.19336666    2.8308749    5.5814852     388253.6            3            6 
+Loop time of 0.006814 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   93000    470.86218   -3199.1842            0            1   0.35506745          275          567    6.0069324   0.19339785    2.8308749    5.5814852     388253.6            3            6 
+   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
+Loop time of 0.239427 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
+   94014    500.15102   -3217.9143   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19422639    2.8308749    5.5814852    390879.44            3            6 
+Loop time of 0.00671053 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   94000    500.15102   -3200.7696   0.21997392    164.90621    0.2245099          547          552    6.0069324   0.19425532    2.8308749    5.5814852    390879.44            3            6 
+   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
+Loop time of 0.240334 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
+   95014    490.13908   -3217.9156   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19326626    2.8308749    5.5814852    393723.55            3            6 
+Loop time of 0.00659347 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   95000    490.13908   -3196.2455   0.24009629    263.06397   0.21629301          404          411    6.0069324   0.19329474    2.8308749    5.5814852    393723.55            3            6 
+   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
+Loop time of 0.239501 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
+   96016    487.33226   -3217.9155            0            1   0.37635306          275          567    6.0069324    0.1928012    2.8308749    5.5814852    397503.57            3            6 
+Loop time of 0.00752759 on 4 procs for 16 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   96000    487.33226   -3198.9357            0            1   0.37635306          275          567    6.0069324   0.19283333    2.8308749    5.5814852    397503.57            3            6 
+   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
+Loop time of 0.241445 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
+   97014    474.12539   -3217.9109   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19288969    2.8308749    5.5814852    402607.83            3            6 
+Loop time of 0.00657606 on 4 procs for 14 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   97000    474.12539   -3199.8196   0.35035926    3399.8667   0.16411988          543          577    6.0069324   0.19291753    2.8308749    5.5814852    402607.83            3            6 
+   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
+Loop time of 0.239002 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
+   98013    529.81368   -3217.9152   0.31966379    1667.4989   0.18016803          219          257    6.0069324    0.1922398    2.8308749    5.5814852    408103.05            3            6 
+Loop time of 0.00612688 on 4 procs for 13 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   98000    529.81368   -3198.9595   0.31966379    1667.4989   0.18016803          219          257    6.0069324   0.19226531    2.8308749    5.5814852    408103.05            3            6 
+   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
+Loop time of 0.239787 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
+   99015    521.70465   -3217.9162  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19118315    2.8308749    5.5814852    410506.47            3            6 
+Loop time of 0.00708294 on 4 procs for 15 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+   99000    521.70465   -3199.4429  0.069318452    4.9968747   0.27842895          404          399    6.0069324   0.19121212    2.8308749    5.5814852    410506.47            3            6 
+  100000    513.67972   -3199.6382   0.37912459    6628.3181   0.14750449          554          556    6.0069324      0.19018    2.8308749    5.5814852    415873.98            3            6 
+Loop time of 0.239291 on 4 procs for 1000 steps with 577 atoms
+
+Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] 
+  100000    513.67972   -3199.6382   0.37912459    6628.3181   0.14750449          554          556    6.0069324      0.19018    2.8308749    5.5814852    415873.98            3            6 
+  100015    513.67972   -3217.9139   0.37912459    6628.3181   0.14750449          554          556    6.0069324   0.19015148    2.8308749    5.5814852    415873.98            3            6 
+Loop time of 0.00685054 on 4 procs for 15 steps with 577 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+  hyper time = 415874
+  event timesteps = 3
+  # of atoms in events = 6
+Quantities for this hyper run:
+  event timesteps = 3
+  # of atoms in events = 6
+  max length of any bond = 5.58149
+  max drift distance of any atom = 2.83087
+  fraction of steps & bonds with zero bias = 0.19018
+Current quantities:
+  ave bonds/atom = 6.00693
+
+Loop time of 25.9832 on 4 procs for 100000 steps with 577 atoms
+
+Performance: 1662.613 ns/day, 0.014 hours/ns, 3848.641 timesteps/s
+100.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+Hyper stats:
+  Dynamics time (%) = 24.8121 (95.4928)
+  Quench   time (%) = 0.715868 (2.75512)
+  Other    time (%) = 0.879782 (3.38596)
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 17.954     | 18.433     | 18.794     |   8.4 | 70.94
+Neigh   | 1.4147     | 1.4662     | 1.5092     |   2.9 |  5.64
+Comm    | 2.0975     | 2.2026     | 2.3076     |   5.6 |  8.48
+Output  | 0.0030999  | 0.0031937  | 0.003444   |   0.3 |  0.01
+Modify  | 2.6366     | 2.9984     | 3.4835     |  19.3 | 11.54
+Other   |            | 0.8798     |            |       |  3.39
+
+Nlocal:    144.25 ave 150 max 139 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    533.25 ave 538 max 527 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs:    3359.25 ave 3495 max 3245 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 13437
+Ave neighs/atom = 23.2877
+Neighbor list builds = 10069
+Dangerous builds = 0
+Total wall time: 0:00:26
diff --git a/examples/hyper/log.hyper.local.g++.16 b/examples/hyper/log.hyper.local.g++.16
new file mode 100644
index 0000000000..480fcf0248
--- /dev/null
+++ b/examples/hyper/log.hyper.local.g++.16
@@ -0,0 +1,993 @@
+LAMMPS (10 Oct 2018)
+# 3d EAM surface for local HD
+
+# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
+# hop event on (100) surface is same distance
+# exchange event is 2 atoms moving same distance
+
+variable        Tequil index 400.0
+variable        Vmax index 0.4
+variable        qfactor index 0.3
+variable        cutbond index 3.2
+variable        Dcut index 10.0
+variable        cutevent index 1.1
+variable        alpha index 200.0
+variable        boost index 4000.0
+variable        ghostcut index 12.0
+variable        steps index 1500
+variable        nevent index 100
+variable        nx index 8
+variable        ny index 8
+variable        zoom index 1.8
+variable        seed index 826626413
+variable        tol index 1.0e-15
+variable        add index 37K
+
+units           metal
+atom_style	atomic
+atom_modify     map array
+boundary        p p p
+comm_modify     cutoff ${ghostcut}
+comm_modify     cutoff 12.0
+
+lattice		fcc 3.92
+Lattice spacing in x,y,z = 3.92 3.92 3.92
+region		box block 0 6 0 6 0 4
+create_box	2 box
+Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
+  2 by 4 by 2 MPI processor grid
+create_atoms	1 box
+Created 576 atoms
+  Time spent = 0.00108504 secs
+
+mass            * 1.0
+
+change_box      all z final -0.1 5.0 boundary p p f
+  orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
+
+# replicate in xy
+
+replicate       ${nx} ${ny} 1
+replicate       8 ${ny} 1
+replicate       8 8 1
+  orthogonal box = (0 0 -0.392) to (188.16 188.16 19.6)
+  4 by 4 by 1 MPI processor grid
+  36864 atoms
+  Time spent = 0.0028758 secs
+
+# add adatoms
+
+include         adatoms.list.${add}
+include         adatoms.list.37K
+create_atoms 1 single 27.5 9.5 4
+Created 1 atoms
+  Time spent = 0.000183105 secs
+create_atoms 1 single 16 9 4
+Created 1 atoms
+  Time spent = 0.000178099 secs
+create_atoms 1 single 10 12 4
+Created 1 atoms
+  Time spent = 0.000179768 secs
+create_atoms 1 single 31 44 4
+Created 1 atoms
+  Time spent = 0.000184059 secs
+create_atoms 1 single 13 17 4
+Created 1 atoms
+  Time spent = 0.000173807 secs
+create_atoms 1 single 8.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000167847 secs
+create_atoms 1 single 23 26 4
+Created 1 atoms
+  Time spent = 0.000179052 secs
+create_atoms 1 single 38 27 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 37.5 4.5 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 41.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000172138 secs
+create_atoms 1 single 20.5 37.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 5 8 4
+Created 1 atoms
+  Time spent = 0.00018096 secs
+create_atoms 1 single 2.5 16.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 38.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 9 0 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 39 32 4
+Created 1 atoms
+  Time spent = 0.000170946 secs
+create_atoms 1 single 45.5 11.5 4
+Created 1 atoms
+  Time spent = 0.00018096 secs
+create_atoms 1 single 40 0 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 44.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 4.5 44.5 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 24.5 13.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 47.5 23.5 4
+Created 1 atoms
+  Time spent = 0.00018096 secs
+create_atoms 1 single 1 20 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 38.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000168085 secs
+create_atoms 1 single 12.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 2 27 4
+Created 1 atoms
+  Time spent = 0.000188828 secs
+create_atoms 1 single 21 5 4
+Created 1 atoms
+  Time spent = 0.000174999 secs
+create_atoms 1 single 47 12 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 32.5 46.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 9.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 8.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 41.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000174046 secs
+create_atoms 1 single 29 11 4
+Created 1 atoms
+  Time spent = 0.000166893 secs
+create_atoms 1 single 3.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000165224 secs
+create_atoms 1 single 5 21 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 46.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 35 46 4
+Created 1 atoms
+  Time spent = 0.000183105 secs
+create_atoms 1 single 40.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 10 22 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 43.5 14.5 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 42 42 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 4 26 4
+Created 1 atoms
+  Time spent = 0.000174999 secs
+create_atoms 1 single 19 34 4
+Created 1 atoms
+  Time spent = 0.000163078 secs
+create_atoms 1 single 33 9 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 0.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000163078 secs
+create_atoms 1 single 30.5 32.5 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 25.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000178099 secs
+create_atoms 1 single 47.5 39.5 4
+Created 1 atoms
+  Time spent = 0.000165939 secs
+create_atoms 1 single 15 13 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 21 21 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 14 28 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 9 34 4
+Created 1 atoms
+  Time spent = 0.000174999 secs
+create_atoms 1 single 7 38 4
+Created 1 atoms
+  Time spent = 0.000175953 secs
+create_atoms 1 single 11 35 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 20.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 30.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000159979 secs
+create_atoms 1 single 32.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000166178 secs
+create_atoms 1 single 21.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 23 12 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 4.5 33.5 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 46 43 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 42.5 45.5 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 4.5 10.5 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 33.5 15.5 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 24 5 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 13 16 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 16.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000156164 secs
+create_atoms 1 single 45.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000247002 secs
+create_atoms 1 single 44.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000156164 secs
+create_atoms 1 single 27.5 46.5 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 44.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 12 41 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 6 4 4
+Created 1 atoms
+  Time spent = 0.0001688 secs
+create_atoms 1 single 31.5 10.5 4
+Created 1 atoms
+  Time spent = 0.00015521 secs
+create_atoms 1 single 1 44 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 31 4 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 21 33 4
+Created 1 atoms
+  Time spent = 0.000156879 secs
+create_atoms 1 single 3 33 4
+Created 1 atoms
+  Time spent = 0.000164032 secs
+create_atoms 1 single 15 10 4
+Created 1 atoms
+  Time spent = 0.0001719 secs
+create_atoms 1 single 28.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 43 1 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 3.5 0.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 41 37 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 43.5 4
+Created 1 atoms
+  Time spent = 0.000213146 secs
+create_atoms 1 single 17 27 4
+Created 1 atoms
+  Time spent = 0.000159979 secs
+create_atoms 1 single 3 5 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 31.5 14.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 41 31 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 22 3 4
+Created 1 atoms
+  Time spent = 0.00015521 secs
+create_atoms 1 single 14.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 9 38 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 36 42 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 33 22 4
+Created 1 atoms
+  Time spent = 0.000163078 secs
+create_atoms 1 single 15.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 3 0 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 25.5 27.5 4
+Created 1 atoms
+  Time spent = 0.000176907 secs
+create_atoms 1 single 2.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 29.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000162125 secs
+create_atoms 1 single 44.5 18.5 4
+Created 1 atoms
+  Time spent = 0.000152826 secs
+create_atoms 1 single 26 40 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 41 27 4
+Created 1 atoms
+  Time spent = 0.000158072 secs
+create_atoms 1 single 39.5 5.5 4
+Created 1 atoms
+  Time spent = 0.000155926 secs
+create_atoms 1 single 3 38 4
+Created 1 atoms
+  Time spent = 0.000152826 secs
+create_atoms 1 single 35 29 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 11 19 4
+Created 1 atoms
+  Time spent = 0.000164986 secs
+create_atoms 1 single 18 1 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 39.5 40.5 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 46 17 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 1.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 28.5 23.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 10 28 4
+Created 1 atoms
+  Time spent = 0.000159979 secs
+create_atoms 1 single 19 47 4
+Created 1 atoms
+  Time spent = 0.000148058 secs
+create_atoms 1 single 10.5 16.5 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 38 45 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 42.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000161886 secs
+create_atoms 1 single 47.5 42.5 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 38 7 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 10 44 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 29.5 27.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 45 30 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 3 9 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 8.5 35.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 24 44 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 47 4 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 7.5 8.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 32.5 41.5 4
+Created 1 atoms
+  Time spent = 0.000157833 secs
+create_atoms 1 single 0.5 34.5 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 11 8 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 2 40 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 25 24 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 47.5 6.5 4
+Created 1 atoms
+  Time spent = 0.000147104 secs
+create_atoms 1 single 39.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 17 21 4
+Created 1 atoms
+  Time spent = 0.000164032 secs
+create_atoms 1 single 32 43 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 16.5 29.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 34 34 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 11.5 3.5 4
+Created 1 atoms
+  Time spent = 0.000154018 secs
+create_atoms 1 single 39 22 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 24.5 36.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 33 31 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 35.5 35.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 14.5 34.5 4
+Created 1 atoms
+  Time spent = 0.000146866 secs
+create_atoms 1 single 34 28 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 37 41 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 33 46 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 27.5 28.5 4
+Created 1 atoms
+  Time spent = 0.000145197 secs
+create_atoms 1 single 40.5 22.5 4
+Created 1 atoms
+  Time spent = 0.000150919 secs
+create_atoms 1 single 27.5 1.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 12 2 4
+Created 1 atoms
+  Time spent = 0.000151873 secs
+create_atoms 1 single 36 43 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 28.5 9.5 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 20.5 25.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 3 3 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 38 33 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 3 20 4
+Created 1 atoms
+  Time spent = 0.000154972 secs
+create_atoms 1 single 35 11 4
+Created 1 atoms
+  Time spent = 0.000145912 secs
+create_atoms 1 single 5 25 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 36.5 6.5 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 19.5 24.5 4
+Created 1 atoms
+  Time spent = 0.000236988 secs
+create_atoms 1 single 27 41 4
+Created 1 atoms
+  Time spent = 0.000169992 secs
+create_atoms 1 single 39.5 11.5 4
+Created 1 atoms
+  Time spent = 0.000138998 secs
+create_atoms 1 single 21.5 2.5 4
+Created 1 atoms
+  Time spent = 0.000136852 secs
+create_atoms 1 single 46.5 15.5 4
+Created 1 atoms
+  Time spent = 0.000138998 secs
+create_atoms 1 single 13 24 4
+Created 1 atoms
+  Time spent = 0.000137091 secs
+create_atoms 1 single 11 37 4
+Created 1 atoms
+  Time spent = 0.000144005 secs
+create_atoms 1 single 11.5 31.5 4
+Created 1 atoms
+  Time spent = 0.000144958 secs
+create_atoms 1 single 47 0 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 25.5 17.5 4
+Created 1 atoms
+  Time spent = 0.00014019 secs
+create_atoms 1 single 32 11 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 8 17 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 27.5 12.5 4
+Created 1 atoms
+  Time spent = 0.000137806 secs
+create_atoms 1 single 25 7 4
+Created 1 atoms
+  Time spent = 0.000146151 secs
+create_atoms 1 single 25.5 37.5 4
+Created 1 atoms
+  Time spent = 0.000139952 secs
+create_atoms 1 single 12 15 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 1 7 4
+Created 1 atoms
+  Time spent = 0.000138998 secs
+create_atoms 1 single 18.5 47.5 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 5 38 4
+Created 1 atoms
+  Time spent = 0.000136852 secs
+create_atoms 1 single 42 19 4
+Created 1 atoms
+  Time spent = 0.000149012 secs
+create_atoms 1 single 30.5 7.5 4
+Created 1 atoms
+  Time spent = 0.000138044 secs
+create_atoms 1 single 42.5 7.5 4
+Created 1 atoms
+  Time spent = 0.000138998 secs
+create_atoms 1 single 26.5 18.5 4
+Created 1 atoms
+  Time spent = 0.000153065 secs
+create_atoms 1 single 18.5 1.5 4
+Created 1 atoms
+  Time spent = 0.000137091 secs
+create_atoms 1 single 41.5 10.5 4
+Created 1 atoms
+  Time spent = 0.000140905 secs
+
+# define frozen substrate and mobile atoms
+
+region          base block INF INF INF INF 0 1.8
+set             region base type 2
+  18432 settings made for type
+group           base type 2
+18432 atoms in group base
+group           mobile type 1
+18616 atoms in group mobile
+
+# pair style
+
+pair_style	eam/alloy
+pair_coeff	* * ptvoterlammps.eam Pt Pt
+
+neighbor	0.5 bin
+neigh_modify    every 1 delay 5 check yes
+
+fix		1 mobile nve
+fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes
+fix		2 mobile langevin 400.0 400.0 1.0 826626413 zero yes
+
+timestep	0.005
+
+compute         tmobile mobile temp
+
+thermo		100
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
+
+# thermal equilibration
+
+run             1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 12
+  binsize = 3.03792, bins = 62 62 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.359 | 3.359 | 3.36 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -206220.22            0   -206220.22   -52155.664 
+     100    188.18127   -206044.43            0   -205591.63    -25068.83 
+     200    274.34464   -205860.78            0   -205200.66   -40191.797 
+     300    325.66286   -205750.01            0    -204966.4   -31510.222 
+     400    352.48242   -205675.42            0   -204827.28   -35058.064 
+     500    370.88571   -205619.66            0   -204727.25   -32735.022 
+     600    388.62129   -205592.87            0   -204657.78   -33904.556 
+     700    389.54874   -205579.73            0    -204642.4   -32769.852 
+     800    395.56074   -205576.82            0   -204625.03   -33755.948 
+     900    398.03458   -205564.48            0   -204606.74   -32777.103 
+    1000    401.24089   -205562.85            0    -204597.4   -33785.341 
+Loop time of 4.3687 on 16 procs for 1000 steps with 37048 atoms
+
+Performance: 98.885 ns/day, 0.243 hours/ns, 228.901 timesteps/s
+98.4% CPU use with 16 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.2988     | 3.3828     | 3.4667     |   2.3 | 77.43
+Neigh   | 0.20856    | 0.23127    | 0.24382    |   1.9 |  5.29
+Comm    | 0.33313    | 0.45075    | 0.55485    |   9.2 | 10.32
+Output  | 0.00042987 | 0.00044042 | 0.00049591 |   0.0 |  0.01
+Modify  | 0.18811    | 0.28363    | 0.36798    |   9.7 |  6.49
+Other   |            | 0.01983    |            |       |  0.45
+
+Nlocal:    2315.5 ave 2332 max 2297 min
+Histogram: 2 0 0 3 4 0 2 1 2 2
+Nghost:    3186.31 ave 3205 max 3170 min
+Histogram: 2 1 3 0 2 3 2 1 0 2
+Neighs:    55590.9 ave 56174 max 55103 min
+Histogram: 2 2 1 1 4 1 3 0 0 2
+
+Total # of neighbors = 889454
+Ave neighs/atom = 24.0082
+Neighbor list builds = 105
+Dangerous builds = 0
+reset_timestep  0
+
+# pin base so will not move during quenches
+
+fix             freeze base setforce 0.0 0.0 0.0
+
+# event detection
+
+compute         event all event/displace ${cutevent}
+compute         event all event/displace 1.1
+
+# hyper/local
+
+fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 ${Tequil}                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 ${Dcut} ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 ${alpha} ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 ${boost}
+fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 4000.0
+
+# thermo output
+
+thermo_style    custom step temp pe f_HL f_HL[*]
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
+
+thermo_modify   lost ignore
+thermo_modify   temp tmobile
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:488)
+
+thermo          ${nevent}
+thermo          100
+
+# dump
+
+region          substrate block INF INF INF INF 1.8 3.8
+region          adatoms block INF INF INF INF 3.8 INF
+variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
+
+dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
+dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green
+
+# run
+
+hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min ${tol} ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1
+hyper           1500 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1
+WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.07583
+  ghost atom cutoff = 12
+  binsize = 3.03792, bins = 62 62 7
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) pair eam/alloy, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix hyper/local, occasional
+      attributes: full, newton on, cut 10
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.566 | 7.567 | 7.567 Mbytes
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+       0    401.24089   -205562.85            0            0            0            1            0            0            0            0            0            0            0            0        4e+19            0            0            0            0            0            0            0            0            0            0            0 
+      77    401.24089   -206534.96            0            0            0            1            0            0            0            0            0            0            0            0        4e+19            0            0            0            0            0            0            0         1540            0            0            0 
+Loop time of 0.540347 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+       0    401.24089   -205562.85    23.271302           74   0.18753621            1    6.0138739    703.62325            0   0.55802338    3.5350432            0            0            0        4e+19    10.115141    10.115141            0            0            0            0            0            0            0            0            0 
+     100    399.15639   -205546.21    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
+Loop time of 0.579085 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     100    399.15639   -205546.21    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
+     184    399.15639   -206534.96    22.904368           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927    49.934783   0.21714886    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         3680            0            0            0 
+Loop time of 0.556056 on 16 procs for 84 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     100    399.15639   -205546.21    22.903938           90   0.32935524   0.39929142    6.0138739    703.62325  0.026229865   0.91517139    3.9968927        91.88    0.3995539    0.4009724   0.39695676    10.262823    10.262823            0            0            0            0            0         2000            0            0            0 
+     200    403.01717   -205543.17    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
+Loop time of 0.581214 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     200    403.01717   -205543.17    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
+     275    403.01717   -206534.96    20.844359           90    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484    66.145455   0.29040418    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         5500            0            0            0 
+Loop time of 0.481812 on 16 procs for 75 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     200    403.01717   -205543.17    21.115577           91    0.3291605   0.39888693    6.0138739    703.62325  0.039527213   0.94418421    4.0368484        90.95   0.39930574    0.4019706   0.39554353    10.262823    10.262823            0            0            0            0            0         4000            0            0            0 
+     300    399.01963   -205541.46    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
+Loop time of 0.5757 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     300    399.01963   -205541.46    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
+     377    399.01963   -206534.96    19.137336           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484    73.225464   0.31760598   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         7540            0            0            0 
+Loop time of 0.514907 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     300    399.01963   -205541.46    19.137003           85   0.32442182   0.39862755    6.0138739    703.62325  0.046873868   0.94776891    4.0368484        92.02   0.39912484   0.40296919   0.39497622    10.288936    10.288936            0            0            0            0            0         6000            0            0            0 
+     400    398.15351   -205544.87    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
+Loop time of 0.577371 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     400    398.15351   -205544.87    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
+     471    398.15351   -206534.96    20.470844           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385    78.163482   0.33881076   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         9420            0            0            0 
+Loop time of 0.465473 on 16 procs for 71 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     400    398.15351   -205544.87    20.470689           93   0.34589451   0.39828754    6.0138739    703.62325  0.049952465   0.94776891    4.0779385      92.0375   0.39894967   0.40395328    0.3932824    10.307052    10.307052            0            0            0            0            0         8000            0            0            0 
+     500    400.29399   -205544.98    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0907861    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
+Loop time of 0.579188 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     500    400.29399   -205544.98    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0907861    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
+     577    400.29399   -206534.96    17.051242           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0910651    4.0779385    79.710572    0.3455768   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        11540            0            0            0 
+Loop time of 0.502193 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     500    400.29399   -205544.98    17.051107           83   0.42140172   0.39805251    6.0138739    703.62325  0.056986933    1.0910651    4.0779385       91.986   0.39879563   0.40493836   0.39165573    10.307052    10.307052            0            0            0            0            0        10000            0            0            0 
+     600    400.96099   -205544.56    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
+Loop time of 0.694955 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     600    400.96099   -205544.56    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
+     680    400.96099   -206534.96    20.904479           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    81.188235   0.35174818   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        13600            0            0            0 
+Loop time of 0.529041 on 16 procs for 80 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     600    400.96099   -205544.56    20.904088           91   0.41219484   0.39780769    6.0138739    703.62325  0.061331691    1.1358732    4.0779385    92.013333   0.39864794   0.40593806   0.39067432    10.307052    10.307052            0            0            0            0            0        12000            0            0            0 
+     700    397.78618   -205534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    1.1853748    4.1995704        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            0            0            0 
+Loop time of 0.590093 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     700    397.78618   -205534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    1.2139704    4.1995704        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            0            0            0 
+     790    397.78618   -206534.96    20.361513           95   0.54466603   0.39757442    6.0138739    703.62325  0.061146951    2.2107138    4.1995704    81.625316   0.35310868   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        15800            0            0            0 
+Loop time of 0.594281 on 16 procs for 90 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     700    397.78618   -205534.96    20.236364           94   0.51088027   0.39757442    6.0138739    703.62325  0.061146951    2.2107138     4.205089        92.12   0.39850836   0.40693553   0.38981834    10.307052    10.307052            0            0            0            0            0        14000            1            2            6 
+     800    399.66919   -205547.44    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.2107138    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            1            2            6 
+Loop time of 0.583824 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     800    399.66919   -205547.44    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.2107138    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            1            2            6 
+     872    399.66919   -206535.54    21.285461           94   0.56079766   0.39739855    6.0138739    703.62325   0.06556778    2.3177682    4.3041291    84.739679   0.36548679   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        17440            1            2            6 
+Loop time of 0.46886 on 16 procs for 72 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     800    399.66919   -205547.44      21.2852           94   0.44964213   0.39739855    6.0138739    703.62325   0.06556778    2.3177682    4.3041291     92.36625    0.3983806   0.40793368      0.38875    10.307052    10.385797            0            0            0            0            0        16000            2            4           13 
+     900     401.5853   -205544.22    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
+Loop time of 0.585137 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     900     401.5853   -205544.22    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
+     975     401.5853   -206535.54    19.308189           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    84.939487   0.36762438   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        19500            2            4           13 
+Loop time of 0.502012 on 16 procs for 75 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+     900     401.5853   -205544.22    19.307938           94   0.47610389   0.39719191    6.0138739    703.62325  0.066991886    2.3177682    4.3041291    92.017778   0.39825974   0.40893337    0.3878576    10.307052    10.385797            0            0            0            0            0        18000            2            4           13 
+    1000    395.06218   -205526.35    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
+Loop time of 0.588597 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1000    395.06218   -205526.35    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
+    1083    395.06218   -206535.54    17.514295           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291    85.421053   0.36763584   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        21660            2            4           13 
+Loop time of 0.543222 on 16 procs for 83 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1000    395.06218   -205526.35    17.514191           91   0.42044925   0.39716259    6.0138739    703.62325  0.067937867    2.3177682    4.3041291       92.511   0.39814962   0.40993184    0.3867545    10.307052    10.385797            0            0            0            0            0        20000            2            4           13 
+    1100    400.04484   -205545.92     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            2            4           13 
+Loop time of 0.590075 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1100    400.04484   -205545.92     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            2            4           13 
+    1177    400.04484   -206535.53     19.52012           89   0.58919981   0.39704631    6.0138739    703.62325  0.069136967    2.3177682    4.4265979    86.464741   0.37201529   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        23540            2            4           13 
+Loop time of 0.500839 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1100    400.04484   -205545.92    19.518413           89     0.429675   0.39705701    6.0137119     703.6043  0.069136967    2.3177682    4.4265979    92.517273   0.39805636   0.41093134   0.38574293    10.307052    10.385797            0            0            0            0            0        22000            3            6           19 
+    1200     400.7462    -205543.2    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
+Loop time of 0.583971 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1200     400.7462    -205543.2    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
+    1277     400.7462   -206535.53    21.169548           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    86.806578   0.37396584   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        25540            3            6           19 
+Loop time of 0.509118 on 16 procs for 77 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1200     400.7462    -205543.2    21.169281           91   0.32511134   0.39679665    6.0137119     703.6043   0.06750442    2.3177682    4.4265979    92.376667   0.39796198   0.41191655    0.3846039    10.307052    10.385797            0            0            0            0            0        24000            3            6           19 
+    1300    398.53702   -205539.33     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
+Loop time of 0.587306 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1300    398.53702   -205539.33     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
+    1375    398.53702   -206535.53     21.35815           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    87.455273   0.37616341   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        27500            3            6           19 
+Loop time of 0.483781 on 16 procs for 75 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1300    398.53702   -205539.33     21.35787           94   0.38773898   0.39659935    6.0137119     703.6043  0.067808168    2.3177682    4.4265979    92.500769   0.39786514   0.41289519    0.3846039    10.307052    10.385797            0            0            0            0            0        26000            3            6           19 
+    1400    402.80537    -205549.3    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
+Loop time of 0.586411 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1400    402.80537    -205549.3    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
+    1471    402.80537   -206535.53    19.481887           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    88.193746   0.37856948   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        29420            3            6           19 
+Loop time of 0.473799 on 16 procs for 71 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1400    402.80537    -205549.3    19.481632           95   0.32554201   0.39648737    6.0137119     703.6043  0.069550538    2.3177682    4.4265979    92.666429   0.39776836   0.41389491   0.38420043    10.307052    10.385797            0            0            0            0            0        28000            3            6           19 
+    1500     402.0803    -205537.7    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    92.857333   0.39767858   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        30000            3            6           19 
+Loop time of 0.587342 on 16 procs for 100 steps with 37048 atoms
+
+Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] 
+    1500     402.0803    -205537.7    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    92.857333   0.39767858   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        30000            3            6           19 
+    1574     402.0803   -206535.53    20.903964           99    0.3340498   0.39635609    6.0137119     703.6043  0.070409086    2.3177682    4.4265979    88.491741   0.37898213   0.41489448   0.38372784    10.333041    10.385797            0            0            0            0            0        31480            3            6           19 
+Loop time of 0.493982 on 16 procs for 74 steps with 37048 atoms
+
+Final hyper stats ...
+
+Cummulative quantities for fix hyper:
+  hyper time = 30000
+  event timesteps = 3
+  # of atoms in events = 6
+Quantities for this hyper run:
+  event timesteps = 3
+  # of atoms in events = 6
+  max length of any bond = 4.4266
+  max drift distance of any atom = 2.31777
+  fraction of steps & bonds with zero bias = 0.0704091
+Current quantities:
+  ave bonds/atom = 6.01371
+Cummulative quantities specific tofix hyper/local:
+  # of new bonds formed = 19
+  max bonds/atom = 13
+Quantities for this hyper run specific to fix hyper/local:
+  ave boosted bonds/step = 92.8573
+  ave boost coeff of all bonds = 0.397679
+  max boost coeff of any bond = 0.414894
+  min boost coeff of any bond = 0.383728
+  max dist from my box of any non-maxstrain bond ghost atom = 10.333
+  max dist from my box of any bond ghost atom = 10.3858
+  count of ghost bond neighbors not found on reneighbor steps = 0
+  lost bond partners = 0
+  ave bias coeff for lost bond partners = 0
+  bias overlaps = 0
+  non-matching bias coeffs = 0
+  CPU time for bond builds = 0.044807
+Current quantities specific to fix hyper/local:
+  neighbor bonds/bond = 703.604
+  ave boost coeff for all bonds = 0.396356
+
+Loop time of 17.9972 on 16 procs for 1500 steps with 37048 atoms
+
+Performance: 36.006 ns/day, 0.667 hours/ns, 83.346 timesteps/s
+120.7% CPU use with 16 MPI tasks x no OpenMP threads
+
+Hyper stats:
+  Dynamics time (%) = 8.87027 (49.2869)
+  Quench   time (%) = 8.15972 (45.3388)
+  Other    time (%) = 1.2212 (6.78552)
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 11.6       | 11.848     | 12.043     |   3.9 | 65.83
+Neigh   | 0.50025    | 0.52638    | 0.55163    |   2.1 |  2.92
+Comm    | 0.34528    | 0.49905    | 0.66742    |  13.3 |  2.77
+Output  | 0.0021305  | 0.0021461  | 0.0022686  |   0.1 |  0.01
+Modify  | 3.7498     | 3.9009     | 3.9786     |   2.8 | 21.67
+Other   |            | 1.221      |            |       |  6.79
+
+Nlocal:    2315.5 ave 2361 max 2267 min
+Histogram: 1 1 0 4 2 1 3 3 0 1
+Nghost:    3187.88 ave 3236 max 3141 min
+Histogram: 1 0 3 2 2 1 4 1 1 1
+Neighs:    53950.6 ave 54989 max 53049 min
+Histogram: 2 0 3 2 1 2 4 1 0 1
+FullNghs:  542951 ave 554654 max 533224 min
+Histogram: 1 2 3 1 2 2 2 2 0 1
+
+Total # of neighbors = 8687214
+Ave neighs/atom = 234.485
+Neighbor list builds = 165
+Dangerous builds = 0
+Total wall time: 0:00:22
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index b60ba7339f..4a275a23f7 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -98,6 +98,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
 
   int iarg = 10;
   while (iarg < narg) {
+    /*
     if (strcmp(arg[iarg],"histo") == 0) {
       if (iarg+5 > narg) error->all(FLERR,"Illegal fix hyper/local command");
       histoflag = 1;
@@ -109,8 +110,9 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
           histo_delta <= 0.0 || histo_print <= 0)
         error->all(FLERR,"Illegal fix hyper/local command");
       iarg += 5;
+    */
 
-    } else if (strcmp(arg[iarg],"lostbond") == 0) {
+    if (strcmp(arg[iarg],"lostbond") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix hyper/local command");
       if (strcmp(arg[iarg+1],"error") == 0) lostbond = ERROR;
       else if (strcmp(arg[iarg+1],"warn") == 0) lostbond = WARN;
@@ -272,7 +274,7 @@ void FixHyperLocal::init()
     if (cutghost < dcut) 
       error->all(FLERR,"Fix hyper/local bond cutoff exceeds ghost atom range - "
                  "use comm_modify cutoff command");
-    if (cutghost < dcut+cutbond && me == 0) 
+    if (cutghost < dcut+cutbond/2.0 && me == 0) 
       error->warning(FLERR,"Fix hyper/local ghost atom range "
                      "may not allow for atom drift between events");
   }
@@ -655,6 +657,7 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
 
   // DEBUG info for Max and Min bias coeffs every step
 
+  /*
   //  if (update->ntimestep >= 300000) {
   if (update->ntimestep >= 0) {
 
@@ -795,6 +798,7 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
              inbondi,inbondj,incoeff,inbias,instraddle,mbrmax);
     }
   }
+  */
 
   // end of DEBUG
 
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 0449943215..cd8e66447a 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -178,7 +178,6 @@ void Hyper::command(int narg, char **arg)
 
   nbuild = ndanger = 0;
   time_dynamics = time_quench = 0.0;
-  double clock = 0.0;
 
   if (hyperenable) fix_hyper->init_hyper();
 
@@ -227,14 +226,10 @@ void Hyper::command(int narg, char **arg)
     }
     
     fix_event->restore_state_quench();
-
-    // NOTE: replace clock with hypertime
-    //clock = clock + t_event*universe->nworlds;
-    if (stepmode == 0) istep = update->ntimestep - update->beginstep;
-    else istep = clock;
+    istep = update->ntimestep - update->beginstep;
   }
 
-  if (stepmode) nsteps = update->ntimestep - update->beginstep;
+  nsteps = update->ntimestep - update->beginstep;
 
   // set total timers and counters so Finish() will process them
 
@@ -302,6 +297,7 @@ void Hyper::command(int narg, char **arg)
     if (screen) {
       fprintf(screen,"Cummulative quantities for fix hyper:\n");
       fprintf(screen,"  hyper time = %g\n",t_hyper);
+      fprintf(screen,"  time boost factor = %g\n",t_hyper/(nsteps*update->dt));
       fprintf(screen,"  event timesteps = %d\n",nevent_running);
       fprintf(screen,"  # of atoms in events = %d\n",nevent_atoms_running);
       fprintf(screen,"Quantities for this hyper run:\n");
@@ -504,7 +500,6 @@ void Hyper::options(int narg, char **arg)
   ftol = 1.0e-4;
   maxiter = 40;
   maxeval = 50;
-  stepmode = 0;
   dumpflag = 0;
   ndump = 0;
   dumplist = NULL;
@@ -521,13 +516,6 @@ void Hyper::options(int narg, char **arg)
       if (maxiter < 0) error->all(FLERR,"Illegal hyper command");
       iarg += 5;
 
-    } else if (strcmp(arg[iarg],"time") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
-      if (strcmp(arg[iarg+1],"steps") == 0) stepmode = 0;
-      else if (strcmp(arg[iarg+1],"clock") == 0) stepmode = 1;
-      else error->all(FLERR,"Illegal hyper command");
-      iarg += 2;
-
     } else if (strcmp(arg[iarg],"dump") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
       dumpflag = 1;

From 90caf0019ce517cc85e03d5385c5c97690e114b0 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Fri, 12 Oct 2018 13:37:03 -0600
Subject: [PATCH 096/273] fix doc page errors

---
 doc/src/fix_hyper_global.txt | 4 ++--
 doc/src/fix_hyper_local.txt  | 2 +-
 doc/src/hyper.txt            | 4 ++--
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index 655e2655db..55c63547af 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -146,8 +146,8 @@ If {qfactor} is set too large, then transitions from one energy basin
 to another are affected because the bias potential is non-zero at the
 transition state (e.g. saddle point).  If {qfactor} is set too small
 than little boost is achieved because the Eij strain of some bond in
-the system will (nearly) always exceed {qfactor).  A value of 0.3 for
-{qfactor} is typically a reasonable value.
+the system will (nearly) always exceed {qfactor}.  A value of 0.3 for
+{qfactor} is typically reasonable.
 
 The {Vmax} argument is the prefactor on the bias potential.  Ideally,
 tt should be set to a value slightly less than the smallest barrier
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index b8e5cf07da..dfdd22251a 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -172,7 +172,7 @@ If {qfactor} is set too large, then transitions from one energy basin
 to another are affected because the bias potential is non-zero at the
 transition state (e.g. saddle point).  If {qfactor} is set too small
 than little boost can be achieved because the Eij strain of some bond in
-the system will (nearly) always exceed {qfactor).  A value of 0.3 for
+the system will (nearly) always exceed {qfactor}.  A value of 0.3 for
 {qfactor} is typically a reasonable value.
 
 The {Vmax} argument is a fixed prefactor on the bias potential.  There
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index 936fb665d3..b6fe27b9c7 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -73,7 +73,7 @@ time between events is reduced by a factor of Nr replicas.  For both
 methods, per CPU second, more physical time elapses and more events
 occur.  See the "prd"_prd.html doc page for more info about PRD.
 
-An HD run has several stages, which are repeated each time an "event"
+An HD run has several stages, which are repeated each time an event
 occurs, as explained below.  The logic for an HD run is as follows:
 
 quench
@@ -121,7 +121,7 @@ event/displace"_compute_event_displace.html command.  Other
 event-checking computes may be added.  "Compute
 event/displace"_compute_event_displace.html checks whether any atom in
 the compute group has moved further than a specified threshold
-distance.  If so, an "event" has occurred.
+distance.  If so, an event has occurred.
 
 If this happens, the list of bonds is reset, since some bond pairs
 are likely now too far apart, and new pairs are likely close enough

From 5062c43aea6b267bacd2dadcd66825e737af068e Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Fri, 12 Oct 2018 14:03:49 -0600
Subject: [PATCH 097/273] rename example outputs

---
 ...{global.000000.jpg => global.10Oct18.000000.jpg} | Bin
 ...{global.003000.jpg => global.10Oct18.003000.jpg} | Bin
 ...{global.038000.jpg => global.10Oct18.038000.jpg} | Bin
 ...{global.059000.jpg => global.10Oct18.059000.jpg} | Bin
 .../{local.000000.jpg => local.10Oct18.000000.jpg}  | Bin
 .../{local.000700.jpg => local.10Oct18.000700.jpg}  | Bin
 .../{local.000800.jpg => local.10Oct18.000800.jpg}  | Bin
 .../{local.001100.jpg => local.10Oct18.001100.jpg}  | Bin
 ....global.g++.4 => log.10Oct18.hyper.global.g++.4} |   0
 ....local.g++.16 => log.10Oct18.hyper.local.g++.16} |   0
 10 files changed, 0 insertions(+), 0 deletions(-)
 rename examples/hyper/{global.000000.jpg => global.10Oct18.000000.jpg} (100%)
 rename examples/hyper/{global.003000.jpg => global.10Oct18.003000.jpg} (100%)
 rename examples/hyper/{global.038000.jpg => global.10Oct18.038000.jpg} (100%)
 rename examples/hyper/{global.059000.jpg => global.10Oct18.059000.jpg} (100%)
 rename examples/hyper/{local.000000.jpg => local.10Oct18.000000.jpg} (100%)
 rename examples/hyper/{local.000700.jpg => local.10Oct18.000700.jpg} (100%)
 rename examples/hyper/{local.000800.jpg => local.10Oct18.000800.jpg} (100%)
 rename examples/hyper/{local.001100.jpg => local.10Oct18.001100.jpg} (100%)
 rename examples/hyper/{log.hyper.global.g++.4 => log.10Oct18.hyper.global.g++.4} (100%)
 rename examples/hyper/{log.hyper.local.g++.16 => log.10Oct18.hyper.local.g++.16} (100%)

diff --git a/examples/hyper/global.000000.jpg b/examples/hyper/global.10Oct18.000000.jpg
similarity index 100%
rename from examples/hyper/global.000000.jpg
rename to examples/hyper/global.10Oct18.000000.jpg
diff --git a/examples/hyper/global.003000.jpg b/examples/hyper/global.10Oct18.003000.jpg
similarity index 100%
rename from examples/hyper/global.003000.jpg
rename to examples/hyper/global.10Oct18.003000.jpg
diff --git a/examples/hyper/global.038000.jpg b/examples/hyper/global.10Oct18.038000.jpg
similarity index 100%
rename from examples/hyper/global.038000.jpg
rename to examples/hyper/global.10Oct18.038000.jpg
diff --git a/examples/hyper/global.059000.jpg b/examples/hyper/global.10Oct18.059000.jpg
similarity index 100%
rename from examples/hyper/global.059000.jpg
rename to examples/hyper/global.10Oct18.059000.jpg
diff --git a/examples/hyper/local.000000.jpg b/examples/hyper/local.10Oct18.000000.jpg
similarity index 100%
rename from examples/hyper/local.000000.jpg
rename to examples/hyper/local.10Oct18.000000.jpg
diff --git a/examples/hyper/local.000700.jpg b/examples/hyper/local.10Oct18.000700.jpg
similarity index 100%
rename from examples/hyper/local.000700.jpg
rename to examples/hyper/local.10Oct18.000700.jpg
diff --git a/examples/hyper/local.000800.jpg b/examples/hyper/local.10Oct18.000800.jpg
similarity index 100%
rename from examples/hyper/local.000800.jpg
rename to examples/hyper/local.10Oct18.000800.jpg
diff --git a/examples/hyper/local.001100.jpg b/examples/hyper/local.10Oct18.001100.jpg
similarity index 100%
rename from examples/hyper/local.001100.jpg
rename to examples/hyper/local.10Oct18.001100.jpg
diff --git a/examples/hyper/log.hyper.global.g++.4 b/examples/hyper/log.10Oct18.hyper.global.g++.4
similarity index 100%
rename from examples/hyper/log.hyper.global.g++.4
rename to examples/hyper/log.10Oct18.hyper.global.g++.4
diff --git a/examples/hyper/log.hyper.local.g++.16 b/examples/hyper/log.10Oct18.hyper.local.g++.16
similarity index 100%
rename from examples/hyper/log.hyper.local.g++.16
rename to examples/hyper/log.10Oct18.hyper.local.g++.16

From fe07ad279db17ee517a4336de8f337e4a95d8b55 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Mon, 12 Nov 2018 10:57:43 -0700
Subject: [PATCH 098/273] added NULL declations to constructor, removed debug
 code

---
 src/REPLICA/fix_hyper_global.cpp |  15 ++-
 src/REPLICA/fix_hyper_local.cpp  | 214 +++----------------------------
 src/REPLICA/hyper.cpp            |   4 +-
 3 files changed, 28 insertions(+), 205 deletions(-)

diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index ba45e47407..8508b23440 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -35,15 +35,15 @@ using namespace FixConst;
 #define DELTA 16384
 #define VECLEN 5
 
+// NOTE: count/output # of timesteps on which bias is non-zero
+// NOTE: should there be a virial contribution from boosted bond?
+// NOTE: allow newton off?  see Note in pre_reverse()
+
 /* ---------------------------------------------------------------------- */
 
 FixHyperGlobal::FixHyperGlobal(LAMMPS *lmp, int narg, char **arg) :
-  FixHyper(lmp, narg, arg)
+  FixHyper(lmp, narg, arg), blist(NULL), xold(NULL), tagold(NULL)
 {
-  // NOTE: add NULL declarations
-  // NOTE: count/output # of timesteps on which bias is non-zero
-  // NOTE: require newton on?
-
   if (atom->map_style == 0) 
     error->all(FLERR,"Fix hyper/global command requires atom map");
 
@@ -121,6 +121,9 @@ void FixHyperGlobal::init_hyper()
 
 void FixHyperGlobal::init()
 {
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Hyper global requires newton pair on");
+
   dt = update->dt;
 
   // need an occasional half neighbor list
@@ -280,8 +283,6 @@ void FixHyperGlobal::pre_reverse(int eflag, int vflag)
     f[jmax][2] -= delz*fbiasr;
   } else nobias++;
 
-  // NOTE: should there be a virial contribution from boosted bond?
-
   // output quantities
 
   outvec[0] = vbias;
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 4a275a23f7..7072197a28 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -44,10 +44,11 @@ enum{IGNORE,WARN,ERROR};
 /* ---------------------------------------------------------------------- */
 
 FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
-  FixHyper(lmp, narg, arg)
+  FixHyper(lmp, narg, arg), old2now(NULL), xold(NULL), tagold(NULL), 
+  bonds(NULL), numbond(NULL), maxstrain(NULL), maxstrain_region(NULL), 
+  maxstrain_bondindex(NULL), biasflag(NULL), boost(NULL), 
+  histo(NULL), allhisto(NULL)
 {
-  // NOTE: add NULL declarations
-
   // error checks
   // solution for tagint != int is to worry about storing
   //   local index vs global ID in same variable
@@ -258,7 +259,17 @@ void FixHyperLocal::init_hyper()
 
 void FixHyperLocal::init()
 {
-  alpha = update->dt / alpha_user;
+  // for newton off, bond force bias will not be applied correctly
+  //   bonds that straddle 2 procs
+  // warn if molecular system, since near-neighbors may not appear in neigh list
+  //   user should not be including bonded atoms as hyper "bonds"
+
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Hyper local requires newton pair on");
+
+  if (atom->molecular && me == 0)
+    error->warning(FLERR,"Hyper local for molecular systems "
+                   "requires care in defining hyperdynamics bonds");
 
   // cutghost = communication cutoff as calculated by Neighbor and Comm
   // error if cutghost is smaller than Dcut
@@ -279,11 +290,8 @@ void FixHyperLocal::init()
                      "may not allow for atom drift between events");
   }
 
-  // NOTE: error if not newton,
-  //       since bond force bias will not be applied correctly to straddle bonds?
 
-  // NOTE: if exclusions are enabled, some near-neighbors won't appear
-  //       will be missed in bonds - WARN if molecular system?
+  alpha = update->dt / alpha_user;
 
   // need an occasional full neighbor list with cutoff = Dcut
   // do not need to include neigh skin in cutoff,
@@ -652,160 +660,6 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
   // maxboost_region is function of two maxstrain_regions for I,J
   // NOTE: if J is lost to I but not vice versa, then biascoeff IJ != JI
 
-
-
-
-  // DEBUG info for Max and Min bias coeffs every step
-
-  /*
-  //  if (update->ntimestep >= 300000) {
-  if (update->ntimestep >= 0) {
-
-    double emaxi,emaxj,maxboost_region;
-    double mincoeff = 1.0e20;
-    double maxcoeff = -1.0e20;
-    double delta;
-    double maxcoeffprev,deltamax,eimax,ejmax,emaximax,emaxjmax,mbrmax;
-    double mincoeffprev,deltamin,eimin,ejmin,emaximin,emaxjmin,mbrmin;
-    int itagmax,jtagmax,jtagmax2;
-    int itagmin,jtagmin,jtagmin2;
-
-    for (i = 0; i < nlocal; i++) {
-      emaxi = maxstrain_region[i];
-      nbond = numbond[i];
-      for (m = 0; m < nbond; m++) {
-        j = bonds[i][m].j;
-        if (j < 0) continue;
-        emaxj = maxstrain_region[j];
-        emax = MAX(emaxi,emaxj);
-        if (emax < qfactor) vbias = vmax * (1.0 - emax*emax*invqfactorsq);
-        else vbias = 0.0;
-        boostcoeff = bonds[i][m].boostcoeff;
-        maxboost_region = exp(beta * boostcoeff*vbias);
-        delta = -alpha * (maxboost_region-boosttarget) / boosttarget;
-        boostcoeff += delta;
-
-        if (boostcoeff > maxcoeff) {
-          maxcoeffprev = boostcoeff - delta;
-          maxcoeff = boostcoeff;
-          itagmax = tag[i];
-          jtagmax = tag[j];
-          jtagmax2 = bonds[i][m].jtag;
-          deltamax = delta;
-          eimax = maxstrain[i];
-          ejmax = maxstrain[j];
-          emaximax = emaxi;
-          emaxjmax = emaxj;
-          mbrmax = maxboost_region;
-        }
-
-        if (boostcoeff < mincoeff) {
-          mincoeffprev = boostcoeff - delta;
-          mincoeff = boostcoeff;
-          itagmin = tag[i];
-          jtagmin = tag[j];
-          jtagmin2 = bonds[i][m].jtag;
-          deltamin = delta;
-          eimin = maxstrain[i];
-          ejmin = maxstrain[j];
-          emaximin = emaxi;
-          emaxjmin = emaxj;
-          mbrmin = maxboost_region;
-        }
-      }
-    }
-
-    // min/max owner = procs that own the Min and Max bias coeffs
-
-    pairme.value = mincoeff;
-    pairme.proc = me;
-    MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MINLOC,world);
-    int minowner = pairall.proc;
-    
-    pairme.value = maxcoeff;
-    pairme.proc = me;
-    MPI_Allreduce(&pairme,&pairall,1,MPI_DOUBLE_INT,MPI_MAXLOC,world);
-    int maxowner = pairall.proc;
-  
-    // get info about which atom and bond influenced Max coeff
-    // querystrain = strain of bond that is influencing the max Cij
-    // inbondi,inbondj = ID of I,J atoms in the influence bond
-    // incoeff = bias coeff of influence bond
-    // inbias = 1/0 if inflence bond is biased or not on this step
-    // instraddle = 1/0 if influence bond straddles proc boundary or not
-
-    double querystrain;
-    if (maxowner == me) querystrain = MAX(emaximax,emaxjmax);
-    MPI_Bcast(&querystrain,1,MPI_DOUBLE,maxowner,world);
-
-    int count = 0;
-    for (i = 0; i < nlocal; i++) {
-      m = maxstrain_bondindex[i];
-      if (tag[i] > bonds[i][m].jtag) continue;
-      if (querystrain == maxstrain[i]) count++;
-    }
-
-    int countall;
-    MPI_Allreduce(&count,&countall,1,MPI_INT,MPI_SUM,world);
-
-    int inbias = 0;
-    int instraddle = countall;     // output in rare case countall != 1
-    tagint inbondi = 0;
-    tagint inbondj = 0;
-    double incoeff = 0.0;
-    
-    if (countall == 1) {
-      int procowner;
-      int proc = 0;
-      for (i = 0; i < nlocal; i++) {
-        m = maxstrain_bondindex[i];
-        if (tag[i] > bonds[i][m].jtag) continue;
-        if (querystrain == maxstrain[i]) {
-          proc = me;
-          inbondi = tag[i];
-          inbondj = bonds[i][m].jtag;
-          incoeff = bonds[i][m].boostcoeff;
-          instraddle = 0;
-          if (bonds[i][m].j >= nlocal) instraddle = 1;
-          inbias = 0;
-          for (int iboost = 0; iboost < nboost; iboost++)
-            if (boost[iboost] == i) inbias = 1;
-        }
-      }
-      
-      MPI_Allreduce(&proc,&procowner,1,MPI_INT,MPI_MAX,world);
-      MPI_Bcast(&inbondi,1,MPI_LMP_TAGINT,procowner,world);
-      MPI_Bcast(&inbondj,1,MPI_LMP_TAGINT,procowner,world);
-      MPI_Bcast(&incoeff,1,MPI_DOUBLE,procowner,world);
-      MPI_Bcast(&instraddle,1,MPI_INT,procowner,world);
-      MPI_Bcast(&inbias,1,MPI_INT,procowner,world);
-    }
-
-    // output by procs that own the Min and Max bias coeffs
-    
-    if (minowner == me) {
-      printf("MinCoeff %ld %d : %d %d %d : prev/delta/new %g %g %g : "
-             "Eij %g %g %g %g : BR %g\n",
-             update->ntimestep,comm->me,itagmin,jtagmin,jtagmin2,
-             mincoeffprev,deltamin,mincoeff,eimin,ejmin,emaximin,emaxjmin,mbrmin);
-    }
-    if (maxowner == me) {
-      printf("MaxCoeff %ld %d : %d %d %d : prev/delta/new %g %g %g : "
-             "Eij %g %g %g %g : Bond %d %d %g %d %d : BR %g\n",
-             update->ntimestep,comm->me,itagmax,jtagmax,jtagmax2,
-             maxcoeffprev,deltamax,maxcoeff,
-             eimax,ejmax,emaximax,emaxjmax,
-             inbondi,inbondj,incoeff,inbias,instraddle,mbrmax);
-    }
-  }
-  */
-
-  // end of DEBUG
-
-
-
-
-
   double myboost = 0.0;
   double emaxi,emaxj,maxboost_region;
 
@@ -822,7 +676,7 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
       boostcoeff = bonds[i][m].boostcoeff;
       maxboost_region = exp(beta * boostcoeff*vbias);
       boostcoeff -= alpha * (maxboost_region-boosttarget) / boosttarget;
-      // COMMENT OUT for now
+      // COMMENT OUT for now - need better way to bound boostcoeff
       //boostcoeff = MIN(boostcoeff,COEFFMAX);
       myboost += boostcoeff;
       maxboostcoeff = MAX(maxboostcoeff,boostcoeff);
@@ -954,40 +808,6 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
       }
     }
   }
-
-  // DEBUG timing output
-  // examine these timings for new hyper/local before delete this code
-  // verify that boost cooefs stay in sync for 2 copies of each bond
-  //   before delete this code
-
-  /*
-  time8 = MPI_Wtime();
-
-  timefirst += time2-time1;
-  timesecond += time3-time2;
-  timethird += time4-time3;
-  timefourth += time5-time4;
-  timefifth += time6-time5;
-  timesixth += time7-time6;
-  timeseventh += time8-time7;
-  timetotal += time8-time1;
-
-  double bpera = compute_vector(6);
-  double nbperb = compute_vector(7);
-
-  if (update->ntimestep == 10000 && me == 0) {
-    printf("TIME First %g\n",timefirst);
-    printf("TIME Second %g\n",timesecond);
-    printf("TIME Third %g\n",timethird);
-    printf("TIME Fourth %g\n",timefourth);
-    printf("TIME Fifth %g\n",timefifth);
-    printf("TIME Sixth %g\n",timesixth);
-    printf("TIME Seventh %g\n",timeseventh);
-    printf("TIME Total %g\n",timetotal);
-    printf("Bonds/atom, neigh-bonds/bond %g %g\n",bpera,nbperb);
-    also print nbondbuild and tbondbuild
-  }
-  */
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index cd8e66447a..9e7dc34b13 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -40,7 +40,9 @@ enum{NOHYPER,GLOBAL,LOCAL};
 
 /* ---------------------------------------------------------------------- */
 
-Hyper::Hyper(LAMMPS *lmp) : Pointers(lmp) {}
+Hyper::Hyper(LAMMPS *lmp) : 
+  Pointers(lmp), dumplist(NULL)
+{}
 
 /* ----------------------------------------------------------------------
    perform hyperdynamics simulation

From 8e9d4f5bce04ad937fe3fa1250d1906a79b4bd45 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 16:06:55 -0500
Subject: [PATCH 099/273] modify bond style hybrid, so it can handle bond style
 quartic as a sub-style

---
 src/bond_hybrid.cpp | 20 ++++++++++++++++++++
 src/bond_hybrid.h   |  2 +-
 2 files changed, 21 insertions(+), 1 deletion(-)

diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp
index c3a71ee71c..1b150b8b34 100644
--- a/src/bond_hybrid.cpp
+++ b/src/bond_hybrid.cpp
@@ -33,6 +33,7 @@ BondHybrid::BondHybrid(LAMMPS *lmp) : Bond(lmp)
 {
   writedata = 0;
   nstyles = 0;
+  has_quartic = -1;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -171,6 +172,7 @@ void BondHybrid::settings(int narg, char **arg)
     delete [] styles;
     for (int i = 0; i < nstyles; i++) delete [] keywords[i];
     delete [] keywords;
+    has_quartic = -1;
   }
 
   if (allocated) {
@@ -214,14 +216,26 @@ void BondHybrid::settings(int narg, char **arg)
   i = 0;
 
   while (i < narg) {
+
     for (m = 0; m < nstyles; m++)
       if (strcmp(arg[i],keywords[m]) == 0)
         error->all(FLERR,"Bond style hybrid cannot use same bond style twice");
+
     if (strcmp(arg[i],"hybrid") == 0)
       error->all(FLERR,"Bond style hybrid cannot have hybrid as an argument");
+
     if (strcmp(arg[i],"none") == 0)
       error->all(FLERR,"Bond style hybrid cannot have none as an argument");
 
+    if (strcmp(arg[i],"none") == 0)
+      error->all(FLERR,"Bond style hybrid cannot have none as an argument");
+
+    // register index of quartic bond type,
+    // so that bond type 0 can be mapped to it
+
+    if (strncmp(arg[i],"quartic",7) == 0)
+      has_quartic = m;
+
     styles[nstyles] = force->new_bond(arg[i],1,dummy);
     force->store_style(keywords[nstyles],arg[i],0);
 
@@ -283,6 +297,12 @@ void BondHybrid::init_style()
 {
   for (int m = 0; m < nstyles; m++)
     if (styles[m]) styles[m]->init_style();
+
+  // bond style quartic will set broken bonds to bond type 0, so we need
+  // to create an entry for it in the bond type to sub-style map
+
+  if (has_quartic >= 0)
+    map[0] = has_quartic;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/bond_hybrid.h b/src/bond_hybrid.h
index a385a2e3f8..e51d467ac1 100644
--- a/src/bond_hybrid.h
+++ b/src/bond_hybrid.h
@@ -47,7 +47,7 @@ class BondHybrid : public Bond {
 
  private:
   int *map;                     // which style each bond type points to
-
+  int has_quartic;              // which style, if any is a quartic bond style
   int *nbondlist;               // # of bonds in sub-style bondlists
   int *maxbond;                 // max # of bonds sub-style lists can store
   int ***bondlist;              // bondlist for each sub-style

From b3f08b38a23b8250326e1d4f72d350f2609a817f Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Mon, 12 Nov 2018 15:16:26 -0700
Subject: [PATCH 100/273] Update Kokkos library in LAMMPS to v2.7.24

---
 lib/kokkos/CHANGELOG.md                       |    63 +
 lib/kokkos/CMakeLists.txt                     |     7 +-
 lib/kokkos/Makefile.kokkos                    |    99 +-
 lib/kokkos/README                             |    33 +-
 lib/kokkos/algorithms/src/Kokkos_Random.hpp   |     6 +
 lib/kokkos/algorithms/src/Kokkos_Sort.hpp     |    10 +-
 lib/kokkos/benchmarks/gups/Makefile           |    41 +
 lib/kokkos/benchmarks/gups/gups-kokkos.cc     |   199 +
 lib/kokkos/benchmarks/stream/Makefile         |    41 +
 lib/kokkos/benchmarks/stream/stream-kokkos.cc |   265 +
 lib/kokkos/bin/hpcbind                        |    66 +-
 lib/kokkos/bin/nvcc_wrapper                   |   111 +-
 lib/kokkos/cmake/kokkos_build.cmake           |     4 +
 lib/kokkos/cmake/kokkos_functions.cmake       |     2 +-
 lib/kokkos/cmake/kokkos_options.cmake         |    13 +-
 lib/kokkos/cmake/kokkos_settings.cmake        |     9 +-
 lib/kokkos/config/test_all_sandia             |    11 +-
 lib/kokkos/containers/src/Kokkos_DualView.hpp |   329 +-
 .../containers/src/Kokkos_DynRankView.hpp     |    96 +-
 .../containers/src/Kokkos_OffsetView.hpp      |  1895 ++
 .../containers/src/Kokkos_StaticCrsGraph.hpp  |     4 +-
 lib/kokkos/containers/src/Kokkos_Vector.hpp   |    16 +-
 .../containers/unit_tests/CMakeLists.txt      |     4 +
 lib/kokkos/containers/unit_tests/Makefile     |     5 +
 .../containers/unit_tests/TestDynViewAPI.hpp  |    64 +
 .../containers/unit_tests/TestOffsetView.hpp  |   426 +
 .../containers/unit_tests/TestScatterView.hpp |    27 +-
 .../unit_tests/TestStaticCrsGraph.hpp         |     1 +
 .../unit_tests/cuda/TestCuda_OffsetView.cpp   |    47 +
 .../openmp/TestOpenMP_OffsetView.cpp          |    47 +
 .../unit_tests/rocm/TestROCm_Category.hpp     |     2 +-
 .../serial/TestSerial_OffsetView.cpp          |    46 +
 .../threads/TestThreads_OffsetView.cpp        |    47 +
 lib/kokkos/core/src/CMakeLists.txt            |     4 +
 lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp  |     8 +-
 lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp |     7 +
 lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp |     6 +-
 .../core/src/Cuda/Kokkos_Cuda_Internal.hpp    |   223 +-
 .../core/src/Cuda/Kokkos_Cuda_Locks.hpp       |     3 +
 .../core/src/Cuda/Kokkos_Cuda_Parallel.hpp    |   238 +-
 .../core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp  |   319 +-
 lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp |   124 +-
 .../Kokkos_Cuda_Version_9_8_Compatibility.hpp |    13 +-
 lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp |     5 +-
 .../core/src/KokkosExp_MDRangePolicy.hpp      |     6 +-
 lib/kokkos/core/src/Kokkos_Array.hpp          |     8 +-
 lib/kokkos/core/src/Kokkos_Concepts.hpp       |     5 +-
 lib/kokkos/core/src/Kokkos_CopyViews.hpp      |   252 +-
 lib/kokkos/core/src/Kokkos_ExecPolicy.hpp     |     8 +
 lib/kokkos/core/src/Kokkos_Layout.hpp         |   146 +
 lib/kokkos/core/src/Kokkos_Macros.hpp         |     7 +-
 .../core/src/Kokkos_Parallel_Reduce.hpp       |    17 +-
 lib/kokkos/core/src/Kokkos_ScratchSpace.hpp   |    49 +
 lib/kokkos/core/src/Kokkos_Serial.hpp         |    22 +-
 lib/kokkos/core/src/Kokkos_TaskScheduler.hpp  |     2 -
 lib/kokkos/core/src/Kokkos_View.hpp           |  1105 +-
 lib/kokkos/core/src/Makefile                  |    36 +-
 .../core/src/Makefile.generate_build_files    |    34 +-
 .../core/src/OpenMP/Kokkos_OpenMP_Task.cpp    |     4 -
 .../core/src/OpenMP/Kokkos_OpenMP_Team.hpp    |    65 +-
 .../OpenMPTarget/Kokkos_OpenMPTargetSpace.cpp |     3 +-
 .../core/src/ROCm/Kokkos_ROCm_Config.hpp      |     4 +-
 lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp |    25 +-
 lib/kokkos/core/src/ROCm/Kokkos_ROCm_Impl.cpp |    21 +-
 .../core/src/ROCm/Kokkos_ROCm_Parallel.hpp    |   387 +-
 .../core/src/ROCm/Kokkos_ROCm_Reduce.hpp      |     9 +-
 .../core/src/ROCm/Kokkos_ROCm_ReduceScan.hpp  |   222 +-
 lib/kokkos/core/src/ROCm/Kokkos_ROCm_Scan.hpp |   120 +-
 .../core/src/ROCm/Kokkos_ROCm_Space.cpp       |     4 +
 lib/kokkos/core/src/ROCm/Kokkos_ROCm_Tile.hpp |     5 +-
 .../core/src/Threads/Kokkos_ThreadsTeam.hpp   |   105 +-
 ...IInst_int64_t_double_LayoutLeft_Rank1.cpp} |     0
 ...IInst_int64_t_double_LayoutLeft_Rank2.cpp} |     0
 ...IInst_int64_t_double_LayoutLeft_Rank3.cpp} |     0
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 ...ETIInst_int_int64_t_LayoutRight_Rank3.cpp} |     0
 ...ETIInst_int_int64_t_LayoutRight_Rank4.cpp} |     0
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 ...wCopyETIInst_int_int_LayoutLeft_Rank1.cpp} |     0
 ...wCopyETIInst_int_int_LayoutLeft_Rank2.cpp} |     0
 ...wCopyETIInst_int_int_LayoutLeft_Rank3.cpp} |     0
 ...wCopyETIInst_int_int_LayoutLeft_Rank4.cpp} |     0
 ...wCopyETIInst_int_int_LayoutLeft_Rank5.cpp} |     0
 ...wCopyETIInst_int_int_LayoutLeft_Rank8.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank1.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank2.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank3.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank4.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank5.cpp} |     0
 ...CopyETIInst_int_int_LayoutRight_Rank8.cpp} |     0
 ...opyETIInst_int_int_LayoutStride_Rank1.cpp} |     0
 ...opyETIInst_int_int_LayoutStride_Rank2.cpp} |     0
 ...opyETIInst_int_int_LayoutStride_Rank3.cpp} |     0
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 ...opyETIInst_int_int_LayoutStride_Rank5.cpp} |     0
 ...opyETIInst_int_int_LayoutStride_Rank8.cpp} |     0
 .../eti/ROCm/Makefile.eti_Experimental::ROCm  |   288 -
 .../core/src/eti/ROCm/Makefile.eti_ROCm       |   288 +
 .../Kokkos_Atomic_Compare_Exchange_Strong.hpp |    13 +-
 .../core/src/impl/Kokkos_Atomic_Exchange.hpp  |    13 +-
 .../core/src/impl/Kokkos_Atomic_Fetch_Add.hpp |    14 +-
 .../core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp |    13 +-
 .../core/src/impl/Kokkos_Atomic_Generic.hpp   |    26 +-
 .../core/src/impl/Kokkos_Atomic_Windows.hpp   |    12 +-
 lib/kokkos/core/src/impl/Kokkos_Core.cpp      |    16 +-
 lib/kokkos/core/src/impl/Kokkos_HBWSpace.cpp  |     2 +
 lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp |     2 +
 .../core/src/impl/Kokkos_HostThreadTeam.hpp   |    33 +-
 lib/kokkos/core/src/impl/Kokkos_OldMacros.hpp |    15 +-
 .../core/src/impl/Kokkos_Serial_Task.cpp      |    20 +-
 lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp |   114 +-
 .../core/src/impl/Kokkos_ViewLayoutTiled.hpp  |   945 +
 .../core/src/impl/Kokkos_ViewMapping.hpp      |   303 +-
 lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp  |     4 +-
 lib/kokkos/core/src/impl/Kokkos_hwloc.cpp     |    26 +-
 lib/kokkos/core/src/kokkos.pc.in              |    71 +
 lib/kokkos/core/unit_test/CMakeLists.txt      |     2 +
 lib/kokkos/core/unit_test/Makefile            |    52 +-
 lib/kokkos/core/unit_test/TestAtomic.hpp      |    11 +-
 lib/kokkos/core/unit_test/TestCXX11.hpp       |    16 +-
 lib/kokkos/core/unit_test/TestComplex.hpp     |     2 +-
 lib/kokkos/core/unit_test/TestMDRange.hpp     |   212 +
 lib/kokkos/core/unit_test/TestMDRange_a.hpp   |     4 +
 lib/kokkos/core/unit_test/TestMDRange_b.hpp   |     3 +-
 lib/kokkos/core/unit_test/TestMDRange_c.hpp   |     4 +-
 lib/kokkos/core/unit_test/TestMDRange_d.hpp   |     4 +
 lib/kokkos/core/unit_test/TestMDRange_e.hpp   |     4 +
 lib/kokkos/core/unit_test/TestMemoryPool.hpp  |     2 +
 lib/kokkos/core/unit_test/TestReduce.hpp      |     3 +
 .../core/unit_test/TestReduceDeviceView.hpp   |   131 +
 lib/kokkos/core/unit_test/TestReducers.hpp    |    14 +-
 lib/kokkos/core/unit_test/TestScan.hpp        |    12 +-
 lib/kokkos/core/unit_test/TestTeam.hpp        |   169 +-
 .../core/unit_test/TestTeamTeamSize.hpp       |   146 +
 lib/kokkos/core/unit_test/TestTeamVector.hpp  |    68 +-
 lib/kokkos/core/unit_test/TestViewAPI_a.hpp   |     2 -
 lib/kokkos/core/unit_test/TestViewAPI_b.hpp   |     2 -
 lib/kokkos/core/unit_test/TestViewAPI_c.hpp   |     2 -
 lib/kokkos/core/unit_test/TestViewAPI_d.hpp   |     2 -
 lib/kokkos/core/unit_test/TestViewCopy.hpp    |   155 +
 .../TestViewLayoutStrideAssignment.hpp        |   740 +
 .../core/unit_test/TestViewLayoutTiled.hpp    |  1215 +
 .../cuda/TestCudaHostPinned_ViewCopy.cpp      |    45 +
 .../unit_test/cuda/TestCudaUVM_ViewCopy.cpp   |    45 +
 .../core/unit_test/cuda/TestCuda_Other.cpp    |     1 +
 .../cuda/TestCuda_Reductions_DeviceView.cpp   |    45 +
 .../core/unit_test/cuda/TestCuda_Team.cpp     |    16 +
 .../unit_test/cuda/TestCuda_TeamScratch.cpp   |     4 +
 .../unit_test/cuda/TestCuda_TeamTeamSize.cpp  |    45 +
 .../TestCuda_ViewLayoutStrideAssignment.cpp   |    46 +
 .../unit_test/openmp/TestOpenMP_Other.cpp     |     1 +
 .../TestOpenMP_Reductions_DeviceView.cpp      |    45 +
 .../core/unit_test/openmp/TestOpenMP_Team.cpp |    15 +
 .../openmp/TestOpenMP_TeamScratch.cpp         |     3 +
 .../openmp/TestOpenMP_TeamTeamSize.cpp        |    46 +
 .../TestOpenMP_ViewLayoutStrideAssignment.cpp |    46 +
 .../rocm/TestROCmHostPinned_ViewCopy.cpp      |    45 +
 .../core/unit_test/rocm/TestROCm_Crs.cpp      |    47 +
 .../rocm/TestROCm_MDRangeReduce_a.cpp         |    54 +
 .../rocm/TestROCm_MDRangeReduce_b.cpp         |    54 +
 .../rocm/TestROCm_MDRangeReduce_c.cpp         |    54 +
 .../rocm/TestROCm_MDRangeReduce_d.cpp         |    54 +
 .../rocm/TestROCm_MDRangeReduce_e.cpp         |    54 +
 .../unit_test/rocm/TestROCm_SubView_c13.cpp   |    54 +
 .../rocm/TestROCm_TeamReductionScan.cpp       |     2 -
 .../unit_test/rocm/TestROCm_TeamScratch.cpp   |     4 +
 .../unit_test/rocm/TestROCm_TeamTeamSize.cpp  |    49 +
 .../unit_test/serial/TestSerial_Other.cpp     |     1 +
 .../TestSerial_Reductions_DeviceView.cpp      |    45 +
 .../core/unit_test/serial/TestSerial_Team.cpp |    15 +
 .../serial/TestSerial_TeamScratch.cpp         |     4 +
 .../serial/TestSerial_TeamTeamSize.cpp        |    45 +
 .../TestSerial_ViewLayoutStrideAssignment.cpp |    46 +
 lib/kokkos/core/unit_test/standalone/Makefile |    55 +
 .../unit_test/standalone/UnitTestMainInit.cpp |    71 +
 .../unit_test/threads/TestThreads_Other.cpp   |     1 +
 .../TestThreads_Reductions_DeviceView.cpp     |    45 +
 .../unit_test/threads/TestThreads_Team.cpp    |    15 +
 .../threads/TestThreads_TeamScratch.cpp       |     4 +
 .../threads/TestThreads_TeamTeamSize.cpp      |    47 +
 ...TestThreads_ViewLayoutStrideAssignment.cpp |    46 +
 lib/kokkos/doc/kokkos-promotion.txt           |    24 +-
 .../01_thread_teams/thread_teams.cpp          |    21 +-
 .../nested_parallel_for.cpp                   |     3 +-
 lib/kokkos/example/virtual_functions/Makefile |    55 +
 .../example/virtual_functions/classes.cpp     |    26 +
 .../example/virtual_functions/classes.hpp     |    39 +
 lib/kokkos/example/virtual_functions/main.cpp |    36 +
 lib/kokkos/generate_makefile.bash             |    23 +-
 lib/kokkos/master_history.txt                 |     1 +
 .../eti/generate_view_copy_cpp_files_write    |     8 +-
 .../scripts/testing_scripts/test_all_sandia   |   790 +
 ...=> blake_jenkins_run_script_pthread_intel} |    11 +-
 ... => blake_jenkins_run_script_serial_intel} |    11 +-
 .../white_run_jenkins_script_cuda             |     6 +-
 .../white_run_jenkins_script_omp              |     6 +-
 lib/kokkos/tpls/gtest/gtest/LICENSE           |    28 +
 lib/kokkos/tpls/gtest/gtest/README            |    13 +
 lib/kokkos/tpls/gtest/gtest/gtest-all.cc      |  9594 ++++++++
 lib/kokkos/tpls/gtest/gtest/gtest-test-part.h |     1 +
 lib/kokkos/tpls/gtest/gtest/gtest.h           | 20065 ++++++++++++++++
 320 files changed, 42934 insertions(+), 1993 deletions(-)
 create mode 100644 lib/kokkos/benchmarks/gups/Makefile
 create mode 100644 lib/kokkos/benchmarks/gups/gups-kokkos.cc
 create mode 100644 lib/kokkos/benchmarks/stream/Makefile
 create mode 100644 lib/kokkos/benchmarks/stream/stream-kokkos.cc
 create mode 100644 lib/kokkos/containers/src/Kokkos_OffsetView.hpp
 create mode 100644 lib/kokkos/containers/unit_tests/TestOffsetView.hpp
 create mode 100644 lib/kokkos/containers/unit_tests/cuda/TestCuda_OffsetView.cpp
 create mode 100644 lib/kokkos/containers/unit_tests/openmp/TestOpenMP_OffsetView.cpp
 create mode 100644 lib/kokkos/containers/unit_tests/serial/TestSerial_OffsetView.cpp
 create mode 100644 lib/kokkos/containers/unit_tests/threads/TestThreads_OffsetView.cpp
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp} (100%)
 rename lib/kokkos/core/src/eti/ROCm/{Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp => Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp} (100%)
 delete mode 100644 lib/kokkos/core/src/eti/ROCm/Makefile.eti_Experimental::ROCm
 create mode 100644 lib/kokkos/core/src/eti/ROCm/Makefile.eti_ROCm
 create mode 100644 lib/kokkos/core/src/impl/Kokkos_ViewLayoutTiled.hpp
 create mode 100644 lib/kokkos/core/src/kokkos.pc.in
 create mode 100644 lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
 create mode 100644 lib/kokkos/core/unit_test/TestTeamTeamSize.hpp
 create mode 100644 lib/kokkos/core/unit_test/TestViewCopy.hpp
 create mode 100644 lib/kokkos/core/unit_test/TestViewLayoutStrideAssignment.hpp
 create mode 100644 lib/kokkos/core/unit_test/TestViewLayoutTiled.hpp
 create mode 100644 lib/kokkos/core/unit_test/cuda/TestCudaHostPinned_ViewCopy.cpp
 create mode 100644 lib/kokkos/core/unit_test/cuda/TestCudaUVM_ViewCopy.cpp
 create mode 100644 lib/kokkos/core/unit_test/cuda/TestCuda_Reductions_DeviceView.cpp
 create mode 100644 lib/kokkos/core/unit_test/cuda/TestCuda_TeamTeamSize.cpp
 create mode 100644 lib/kokkos/core/unit_test/cuda/TestCuda_ViewLayoutStrideAssignment.cpp
 create mode 100644 lib/kokkos/core/unit_test/openmp/TestOpenMP_Reductions_DeviceView.cpp
 create mode 100644 lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamTeamSize.cpp
 create mode 100644 lib/kokkos/core/unit_test/openmp/TestOpenMP_ViewLayoutStrideAssignment.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCmHostPinned_ViewCopy.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_Crs.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_a.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_b.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_c.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_d.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_e.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_SubView_c13.cpp
 create mode 100644 lib/kokkos/core/unit_test/rocm/TestROCm_TeamTeamSize.cpp
 create mode 100644 lib/kokkos/core/unit_test/serial/TestSerial_Reductions_DeviceView.cpp
 create mode 100644 lib/kokkos/core/unit_test/serial/TestSerial_TeamTeamSize.cpp
 create mode 100644 lib/kokkos/core/unit_test/serial/TestSerial_ViewLayoutStrideAssignment.cpp
 create mode 100644 lib/kokkos/core/unit_test/standalone/Makefile
 create mode 100644 lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
 create mode 100644 lib/kokkos/core/unit_test/threads/TestThreads_Reductions_DeviceView.cpp
 create mode 100644 lib/kokkos/core/unit_test/threads/TestThreads_TeamTeamSize.cpp
 create mode 100644 lib/kokkos/core/unit_test/threads/TestThreads_ViewLayoutStrideAssignment.cpp
 create mode 100644 lib/kokkos/example/virtual_functions/Makefile
 create mode 100644 lib/kokkos/example/virtual_functions/classes.cpp
 create mode 100644 lib/kokkos/example/virtual_functions/classes.hpp
 create mode 100644 lib/kokkos/example/virtual_functions/main.cpp
 create mode 100755 lib/kokkos/scripts/testing_scripts/test_all_sandia
 rename lib/kokkos/scripts/trilinos-integration/{shepard_jenkins_run_script_pthread_intel => blake_jenkins_run_script_pthread_intel} (82%)
 rename lib/kokkos/scripts/trilinos-integration/{shepard_jenkins_run_script_serial_intel => blake_jenkins_run_script_serial_intel} (82%)
 create mode 100644 lib/kokkos/tpls/gtest/gtest/LICENSE
 create mode 100644 lib/kokkos/tpls/gtest/gtest/README
 create mode 100644 lib/kokkos/tpls/gtest/gtest/gtest-all.cc
 create mode 120000 lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
 create mode 100644 lib/kokkos/tpls/gtest/gtest/gtest.h

diff --git a/lib/kokkos/CHANGELOG.md b/lib/kokkos/CHANGELOG.md
index 145cc62706..5564096ea1 100644
--- a/lib/kokkos/CHANGELOG.md
+++ b/lib/kokkos/CHANGELOG.md
@@ -1,5 +1,68 @@
 # Change Log
 
+## [2.7.24](https://github.com/kokkos/kokkos/tree/2.7.24) (2018-11-04)
+[Full Changelog](https://github.com/kokkos/kokkos/compare/2.7.00...2.7.24)
+
+**Implemented enhancements:**
+
+- DualView: Add non-templated functions for sync, need\_sync, view, modify [\#1858](https://github.com/kokkos/kokkos/issues/1858)
+- DualView: Avoid needlessly allocates and initializes modify\_host and modify\_device flag views [\#1831](https://github.com/kokkos/kokkos/issues/1831)
+- DualView: Incorrect deduction of "not device type" [\#1659](https://github.com/kokkos/kokkos/issues/1659)
+- BuildSystem: Add KOKKOS\_ENABLE\_CXX14 and KOKKOS\_ENABLE\_CXX17 [\#1602](https://github.com/kokkos/kokkos/issues/1602)
+- BuildSystem: Installed kokkos\_generated\_settings.cmake contains build directories instead of install directories [\#1838](https://github.com/kokkos/kokkos/issues/1838)
+- BuildSystem: KOKKOS\_ARCH: add ticks to printout of improper arch setting [\#1649](https://github.com/kokkos/kokkos/issues/1649)
+- BuildSystem: Make core/src/Makefile for Cuda use needed nvcc\_wrapper [\#1296](https://github.com/kokkos/kokkos/issues/1296)
+- Build: Support PGI as host compiler for NVCC [\#1828](https://github.com/kokkos/kokkos/issues/1828)
+- Build: Many Warnings Fixed e.g.[\#1786](https://github.com/kokkos/kokkos/issues/1786)
+- Capability: OffsetView with non-zero begin index [\#567](https://github.com/kokkos/kokkos/issues/567)
+- Capability: Reductions into device side view [\#1788](https://github.com/kokkos/kokkos/issues/1788)
+- Capability: Add max\_size to Kokkos::Array [\#1760](https://github.com/kokkos/kokkos/issues/1760)
+- Capability: View Assignment: LayoutStride -\> LayoutLeft and LayoutStride -\> LayoutRight [\#1594](https://github.com/kokkos/kokkos/issues/1594)
+- Capability: Atomic function allow implicit conversion of update argument [\#1571](https://github.com/kokkos/kokkos/issues/1571)
+- Capability: Add team\_size\_max with tagged functors [\#663](https://github.com/kokkos/kokkos/issues/663)
+- Capability: Fix allignment of views from Kokkos\_ScratchSpace should use different alignment [\#1700](https://github.com/kokkos/kokkos/issues/1700)
+- Capabilitiy: create\_mirror\_view\_and\_copy for DynRankView [\#1651](https://github.com/kokkos/kokkos/issues/1651)
+- Capability: DeepCopy HBWSpace / HostSpace [\#548](https://github.com/kokkos/kokkos/issues/548)
+- ROCm: support team vector scan  [\#1645](https://github.com/kokkos/kokkos/issues/1645)
+- ROCm:  Merge from rocm-hackathon2 [\#1636](https://github.com/kokkos/kokkos/issues/1636)
+- ROCm:  Add ParallelScanWithTotal [\#1611](https://github.com/kokkos/kokkos/issues/1611)
+- ROCm: Implement MDRange in ROCm [\#1314](https://github.com/kokkos/kokkos/issues/1314)
+- ROCm: Implement Reducers for Nested Parallelism Levels [\#963](https://github.com/kokkos/kokkos/issues/963)
+- ROCm: Add asynchronous deep copy [\#959](https://github.com/kokkos/kokkos/issues/959)
+- Tests: Memory pool test seems to allocate 8GB [\#1830](https://github.com/kokkos/kokkos/issues/1830)
+- Tests: Add unit\_test for team\_broadcast [\#734](https://github.com/kokkos/kokkos/issues/734)
+
+**Fixed bugs:**
+
+- BuildSystem: Makefile.kokkos gets gcc-toolchain wrong if gcc is cached [\#1841](https://github.com/kokkos/kokkos/issues/1841)
+- BuildSystem: kokkos\_generated\_settings.cmake placement is inconsistent [\#1771](https://github.com/kokkos/kokkos/issues/1771)
+- BuildSystem: Invalid escape sequence \. in kokkos\_functions.cmake [\#1661](https://github.com/kokkos/kokkos/issues/1661)
+- BuildSystem: Problem in Kokkos generated cmake file [\#1770](https://github.com/kokkos/kokkos/issues/1770)
+- BuildSystem: invalid file names on windows [\#1671](https://github.com/kokkos/kokkos/issues/1671)
+- Tests: reducers min/max\_loc test fails randomly due to multiple min values and thus multiple valid locations [\#1681](https://github.com/kokkos/kokkos/issues/1681)
+- Tests: cuda.scatterview unit test causes "Bus error" when force\_uvm and enable\_lambda are enabled [\#1852](https://github.com/kokkos/kokkos/issues/1852)
+- Tests: cuda.cxx11 unit test fails when force\_uvm and enable\_lambda are enabled [\#1850](https://github.com/kokkos/kokkos/issues/1850)
+- Tests: threads.reduce\_device\_view\_range\_policy failing with Cuda/8.0.44 and RDC [\#1836](https://github.com/kokkos/kokkos/issues/1836)
+- Build: compile error when compiling Kokkos with hwloc 2.0.1 \(on OSX 10.12.6, with g++ 7.2.0\) [\#1506](https://github.com/kokkos/kokkos/issues/1506)
+- Build: dual\_view.view broken with UVM [\#1834](https://github.com/kokkos/kokkos/issues/1834)
+- Build: White cuda/9.2 + gcc/7.2 warnings triggering errors  [\#1833](https://github.com/kokkos/kokkos/issues/1833)
+- Build: warning: enum constant in boolean context [\#1813](https://github.com/kokkos/kokkos/issues/1813)
+- Capability: Fix overly conservative max\_team\_size thingy [\#1808](https://github.com/kokkos/kokkos/issues/1808)
+- DynRankView: Ctors taking ViewAllocateWithoutInitializing broken [\#1783](https://github.com/kokkos/kokkos/issues/1783)
+- Cuda: Apollo cuda.team\_broadcast test fail with clang-6.0 [\#1762](https://github.com/kokkos/kokkos/issues/1762)
+- Cuda: Clang spurious test failure in impl\_view\_accessible [\#1753](https://github.com/kokkos/kokkos/issues/1753)
+- Cuda: Kokkos::complex\<double\> atomic deadlocks with Clang 6 Cuda build with -O0 [\#1752](https://github.com/kokkos/kokkos/issues/1752)
+- Cuda: LayoutStride Test fails for UVM as default memory space [\#1688](https://github.com/kokkos/kokkos/issues/1688)
+- Cuda: Scan wrong values on Volta [\#1676](https://github.com/kokkos/kokkos/issues/1676)
+- Cuda: Kokkos::deep\_copy error with CudaUVM and Kokkos::Serial spaces [\#1652](https://github.com/kokkos/kokkos/issues/1652)
+- Cuda: cudaErrorInvalidConfiguration with debug build [\#1647](https://github.com/kokkos/kokkos/issues/1647)
+- Cuda: parallel\_for with TeamPolicy::team\_size\_recommended with launch bounds not working -- reported by Daniel Holladay [\#1283](https://github.com/kokkos/kokkos/issues/1283)
+- Cuda: Using KOKKOS\_CLASS\_LAMBDA in a class with Kokkos::Random\_XorShift64\_Pool member data [\#1696](https://github.com/kokkos/kokkos/issues/1696)
+- Long Build Times on Darwin [\#1721](https://github.com/kokkos/kokkos/issues/1721)
+- Capability: Typo in Kokkos\_Sort.hpp - BinOp3D - wrong comparison [\#1720](https://github.com/kokkos/kokkos/issues/1720)
+- Buffer overflow in SharedAllocationRecord in Kokkos\_HostSpace.cpp [\#1673](https://github.com/kokkos/kokkos/issues/1673)
+- Serial unit test failure [\#1632](https://github.com/kokkos/kokkos/issues/1632)
+
 ## [2.7.00](https://github.com/kokkos/kokkos/tree/2.7.00) (2018-05-24)
 [Full Changelog](https://github.com/kokkos/kokkos/compare/2.6.00...2.7.00)
 
diff --git a/lib/kokkos/CMakeLists.txt b/lib/kokkos/CMakeLists.txt
index 9e5308f1c3..236f523aec 100644
--- a/lib/kokkos/CMakeLists.txt
+++ b/lib/kokkos/CMakeLists.txt
@@ -11,7 +11,7 @@ IF(NOT KOKKOS_HAS_TRILINOS)
 
   # Define Project Name if this is a standalone build
   IF(NOT DEFINED ${PROJECT_NAME})
-    project(Kokkos CXX) 
+    project(Kokkos CXX)
   ENDIF()
 
   # Basic initialization (Used in KOKKOS_SETTINGS)
@@ -22,7 +22,7 @@ IF(NOT KOKKOS_HAS_TRILINOS)
   include(${KOKKOS_SRC_PATH}/cmake/kokkos_functions.cmake)
   set_kokkos_cxx_compiler()
   set_kokkos_cxx_standard()
-  
+
   #------------ GET OPTIONS AND KOKKOS_SETTINGS --------------------------------
   # Add Kokkos' modules to CMake's module path.
   set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${Kokkos_SOURCE_DIR}/cmake/Modules/")
@@ -34,7 +34,7 @@ IF(NOT KOKKOS_HAS_TRILINOS)
 
   #------------ GENERATE HEADER AND SOURCE FILES -------------------------------
   execute_process(
-    COMMAND ${KOKKOS_SETTINGS} make -f ${KOKKOS_SRC_PATH}/cmake/Makefile.generate_cmake_settings CXX=${CMAKE_CXX_COMPILER} generate_build_settings
+    COMMAND ${KOKKOS_SETTINGS} make -f ${KOKKOS_SRC_PATH}/cmake/Makefile.generate_cmake_settings CXX=${CMAKE_CXX_COMPILER} PREFIX=${CMAKE_INSTALL_PREFIX} generate_build_settings
     WORKING_DIRECTORY "${Kokkos_BINARY_DIR}"
     OUTPUT_FILE ${Kokkos_BINARY_DIR}/core_src_make.out
     RESULT_VARIABLE GEN_SETTINGS_RESULT
@@ -45,6 +45,7 @@ IF(NOT KOKKOS_HAS_TRILINOS)
   endif()
   include(${Kokkos_BINARY_DIR}/kokkos_generated_settings.cmake)
   install(FILES ${Kokkos_BINARY_DIR}/kokkos_generated_settings.cmake DESTINATION lib/cmake/Kokkos)
+  install(FILES ${Kokkos_BINARY_DIR}/kokkos_generated_settings.cmake DESTINATION ${CMAKE_INSTALL_PREFIX})
   string(REPLACE " " ";" KOKKOS_TPL_INCLUDE_DIRS "${KOKKOS_GMAKE_TPL_INCLUDE_DIRS}")
   string(REPLACE " " ";" KOKKOS_TPL_LIBRARY_DIRS "${KOKKOS_GMAKE_TPL_LIBRARY_DIRS}")
   string(REPLACE " " ";" KOKKOS_TPL_LIBRARY_NAMES "${KOKKOS_GMAKE_TPL_LIBRARY_NAMES}")
diff --git a/lib/kokkos/Makefile.kokkos b/lib/kokkos/Makefile.kokkos
index 52cd3969f9..05f3cf7811 100644
--- a/lib/kokkos/Makefile.kokkos
+++ b/lib/kokkos/Makefile.kokkos
@@ -1,14 +1,8 @@
 # Default settings common options.
 
-#LAMMPS specific settings:
-ifndef KOKKOS_PATH
-  KOKKOS_PATH=../../lib/kokkos
-endif
-CXXFLAGS=$(CCFLAGS)
-
-# Options: Cuda,ROCm,OpenMP,Pthreads,Qthreads,Serial
-KOKKOS_DEVICES ?= "OpenMP"
-#KOKKOS_DEVICES ?= "Pthreads"
+# Options: Cuda,ROCm,OpenMP,Pthread,Qthreads,Serial
+#KOKKOS_DEVICES ?= "OpenMP"
+KOKKOS_DEVICES ?= "Pthread"
 # Options: 
 # Intel:    KNC,KNL,SNB,HSW,BDW,SKX
 # NVIDIA:   Kepler,Kepler30,Kepler32,Kepler35,Kepler37,Maxwell,Maxwell50,Maxwell52,Maxwell53,Pascal60,Pascal61,Volta70,Volta72
@@ -21,16 +15,17 @@ KOKKOS_ARCH ?= ""
 KOKKOS_DEBUG ?= "no"
 # Options: hwloc,librt,experimental_memkind
 KOKKOS_USE_TPLS ?= ""
-# Options: c++11,c++1z
+# Options: c++11,c++14,c++1y,c++17,c++1z,c++2a
 KOKKOS_CXX_STANDARD ?= "c++11"
 # Options: aggressive_vectorization,disable_profiling,disable_deprecated_code,enable_large_mem_tests
 KOKKOS_OPTIONS ?= ""
 # Option for setting ETI path
 KOKKOS_ETI_PATH ?= ${KOKKOS_PATH}/core/src/eti
+KOKKOS_CMAKE ?= "no"
 
 # Default settings specific options.
 # Options: force_uvm,use_ldg,rdc,enable_lambda
-KOKKOS_CUDA_OPTIONS ?= "enable_lambda"
+KOKKOS_CUDA_OPTIONS ?= ""
 
 # Return a 1 if a string contains a substring and 0 if not
 # Note the search string should be without '"'
@@ -41,7 +36,11 @@ kokkos_has_string=$(if $(findstring $2,$1),1,0)
 # Check for general settings.
 KOKKOS_INTERNAL_ENABLE_DEBUG := $(call kokkos_has_string,$(KOKKOS_DEBUG),yes)
 KOKKOS_INTERNAL_ENABLE_CXX11 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++11)
+KOKKOS_INTERNAL_ENABLE_CXX14 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++14)
+KOKKOS_INTERNAL_ENABLE_CXX1Y := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++1y)
+KOKKOS_INTERNAL_ENABLE_CXX17 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++17)
 KOKKOS_INTERNAL_ENABLE_CXX1Z := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++1z)
+KOKKOS_INTERNAL_ENABLE_CXX2A := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++2a)
 
 # Check for external libraries.
 KOKKOS_INTERNAL_USE_HWLOC := $(call kokkos_has_string,$(KOKKOS_USE_TPLS),hwloc)
@@ -110,6 +109,18 @@ KOKKOS_INTERNAL_COMPILER_CLANG       := $(call kokkos_has_string,$(KOKKOS_CXX_VE
 KOKKOS_INTERNAL_COMPILER_APPLE_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),apple-darwin)
 KOKKOS_INTERNAL_COMPILER_HCC         := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),HCC)
 
+# Check Host Compiler if using NVCC through nvcc_wrapper
+ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1)
+  KOKKOS_INTERNAL_COMPILER_NVCC_WRAPPER := $(strip $(shell echo $(CXX) | grep nvcc_wrapper | wc -l))
+  ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC_WRAPPER), 1)
+
+    KOKKOS_CXX_HOST_VERSION             := $(strip $(shell $(CXX) $(CXXFLAGS) --host-version       2>&1))
+    KOKKOS_INTERNAL_COMPILER_PGI    := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),PGI)
+    KOKKOS_INTERNAL_COMPILER_INTEL  := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),Intel Corporation)
+    KOKKOS_INTERNAL_COMPILER_CLANG  := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),clang)
+  endif
+endif
+
 ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 2)
   KOKKOS_INTERNAL_COMPILER_CLANG = 1
 endif
@@ -202,18 +213,34 @@ endif
 # Set C++11 flags.
 ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1)
   KOKKOS_INTERNAL_CXX11_FLAG := --c++11
+  KOKKOS_INTERNAL_CXX14_FLAG := --c++14
+  #KOKKOS_INTERNAL_CXX17_FLAG := --c++17
 else
   ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 1)
      KOKKOS_INTERNAL_CXX11_FLAG := -std=c++11
+     #KOKKOS_INTERNAL_CXX14_FLAG := -std=c++14
+     KOKKOS_INTERNAL_CXX1Y_FLAG := -std=c++1y
+     #KOKKOS_INTERNAL_CXX17_FLAG := -std=c++17
+     #KOKKOS_INTERNAL_CXX1Z_FLAG := -std=c++1Z
+     #KOKKOS_INTERNAL_CXX2A_FLAG := -std=c++2a
   else
     ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1)
       KOKKOS_INTERNAL_CXX11_FLAG := -hstd=c++11
+      KOKKOS_INTERNAL_CXX14_FLAG := -hstd=c++14
+      #KOKKOS_INTERNAL_CXX1Y_FLAG := -hstd=c++1y
+      #KOKKOS_INTERNAL_CXX17_FLAG := -hstd=c++17
+      #KOKKOS_INTERNAL_CXX1Z_FLAG := -hstd=c++1z
+      #KOKKOS_INTERNAL_CXX2A_FLAG := -hstd=c++2a
     else
       ifeq ($(KOKKOS_INTERNAL_COMPILER_HCC), 1)
         KOKKOS_INTERNAL_CXX11_FLAG := 
       else
         KOKKOS_INTERNAL_CXX11_FLAG := --std=c++11
+        KOKKOS_INTERNAL_CXX14_FLAG := --std=c++14
+        KOKKOS_INTERNAL_CXX1Y_FLAG := --std=c++1y
+        KOKKOS_INTERNAL_CXX17_FLAG := --std=c++17
         KOKKOS_INTERNAL_CXX1Z_FLAG := --std=c++1z
+        KOKKOS_INTERNAL_CXX2A_FLAG := --std=c++2a
       endif
     endif
   endif
@@ -336,7 +363,9 @@ endif
 
 #CPPFLAGS is now unused
 KOKKOS_CPPFLAGS =
-KOKKOS_CXXFLAGS = -I./ -I$(KOKKOS_PATH)/core/src -I$(KOKKOS_PATH)/containers/src -I$(KOKKOS_PATH)/algorithms/src -I$(KOKKOS_ETI_PATH)
+ifneq ($(KOKKOS_CMAKE), yes)
+  KOKKOS_CXXFLAGS = -I./ -I$(KOKKOS_PATH)/core/src -I$(KOKKOS_PATH)/containers/src -I$(KOKKOS_PATH)/algorithms/src -I$(KOKKOS_ETI_PATH)
+endif
 KOKKOS_TPL_INCLUDE_DIRS =
 KOKKOS_TPL_LIBRARY_DIRS =
 KOKKOS_TPL_LIBRARY_NAMES =
@@ -347,9 +376,11 @@ endif
 
 KOKKOS_LIBS = -ldl
 KOKKOS_TPL_LIBRARY_NAMES += dl
-KOKKOS_LDFLAGS = -L$(shell pwd)
-# CXXLDFLAGS is used together with CXXFLAGS in a combined compile/link command
-KOKKOS_CXXLDFLAGS = -L$(shell pwd)
+ifneq ($(KOKKOS_CMAKE), yes)
+  KOKKOS_LDFLAGS = -L$(shell pwd)
+  # CXXLDFLAGS is used together with CXXFLAGS in a combined compile/link command
+  KOKKOS_CXXLDFLAGS = -L$(shell pwd)
+endif
 KOKKOS_LINK_FLAGS = 
 KOKKOS_SRC =
 KOKKOS_HEADERS =
@@ -377,10 +408,12 @@ tmp := $(call kokkos_append_header,"/* Execution Spaces */")
 
 ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CUDA")
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_COMPILER_CUDA_VERSION $(KOKKOS_INTERNAL_COMPILER_NVCC_VERSION)")
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
   tmp := $(call kokkos_append_header,'\#define KOKKOS_ENABLE_ROCM')
+  tmp := $(call kokkos_append_header,'\#define KOKKOS_IMPL_ROCM_CLANG_WORKAROUND 1')
 endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1)
@@ -438,11 +471,25 @@ ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX11), 1)
   KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX11_FLAG)
   tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX11")
 endif
-
+ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX14), 1)
+  KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX14_FLAG)
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX14")
+endif
+ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX1Y), 1)
+  KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX1Y_FLAG)
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX14")
+endif
+ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX17), 1)
+  KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX17_FLAG)
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX17")
+endif
 ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX1Z), 1)
   KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX1Z_FLAG)
-  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX11")
-  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX1Z")
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX17")
+endif
+ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX2A), 1)
+  KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX2A_FLAG)
+  tmp := $(call kokkos_append_header,"\#define KOKKOS_ENABLE_CXX20")
 endif
 
 ifeq ($(KOKKOS_INTERNAL_ENABLE_DEBUG), 1)
@@ -465,7 +512,9 @@ endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_HWLOC), 1)
   ifneq ($(HWLOC_PATH),)
-    KOKKOS_CXXFLAGS += -I$(HWLOC_PATH)/include
+    ifneq ($(KOKKOS_CMAKE), yes)
+      KOKKOS_CXXFLAGS += -I$(HWLOC_PATH)/include
+    endif
     KOKKOS_LDFLAGS += -L$(HWLOC_PATH)/lib
     KOKKOS_CXXLDFLAGS += -L$(HWLOC_PATH)/lib
     KOKKOS_TPL_INCLUDE_DIRS += $(HWLOC_PATH)/include
@@ -484,7 +533,9 @@ endif
 
 ifeq ($(KOKKOS_INTERNAL_USE_MEMKIND), 1)
   ifneq ($(MEMKIND_PATH),)
-    KOKKOS_CXXFLAGS += -I$(MEMKIND_PATH)/include
+    ifneq ($(KOKKOS_CMAKE), yes)
+      KOKKOS_CXXFLAGS += -I$(MEMKIND_PATH)/include
+    endif
     KOKKOS_LDFLAGS += -L$(MEMKIND_PATH)/lib
     KOKKOS_CXXLDFLAGS += -L$(MEMKIND_PATH)/lib
     KOKKOS_TPL_INCLUDE_DIRS += $(MEMKIND_PATH)/include
@@ -977,7 +1028,9 @@ ifeq ($(KOKKOS_INTERNAL_ENABLE_ETI), 1)
 endif
   KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/Cuda/*.hpp)
   ifneq ($(CUDA_PATH),)
-    KOKKOS_CXXFLAGS += -I$(CUDA_PATH)/include
+    ifneq ($(KOKKOS_CMAKE), yes)
+      KOKKOS_CXXFLAGS += -I$(CUDA_PATH)/include
+    endif
     KOKKOS_LDFLAGS += -L$(CUDA_PATH)/lib64
     KOKKOS_CXXLDFLAGS += -L$(CUDA_PATH)/lib64
     KOKKOS_TPL_INCLUDE_DIRS += $(CUDA_PATH)/include
@@ -1032,7 +1085,9 @@ ifeq ($(KOKKOS_INTERNAL_USE_QTHREADS), 1)
   KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/Qthreads/*.cpp)
   KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/Qthreads/*.hpp)
   ifneq ($(QTHREADS_PATH),)
-    KOKKOS_CXXFLAGS += -I$(QTHREADS_PATH)/include
+    ifneq ($(KOKKOS_CMAKE), yes)
+      KOKKOS_CXXFLAGS += -I$(QTHREADS_PATH)/include
+    endif
     KOKKOS_LDFLAGS += -L$(QTHREADS_PATH)/lib
     KOKKOS_CXXLDFLAGS += -L$(QTHREADS_PATH)/lib
     KOKKOS_TPL_INCLUDE_DIRS += $(QTHREADS_PATH)/include
diff --git a/lib/kokkos/README b/lib/kokkos/README
index 31d134bf0a..4b6d4170e0 100644
--- a/lib/kokkos/README
+++ b/lib/kokkos/README
@@ -52,44 +52,47 @@ For specifics see the LICENSE file contained in the repository or distribution.
   * GCC 4.8.4
   * GCC 4.9.3
   * GCC 5.1.0
-  * GCC 5.3.0
+  * GCC 5.5.0
   * GCC 6.1.0
+  * GCC 7.2.0
+  * GCC 7.3.0
+  * GCC 8.1.0
   * Intel 15.0.2
   * Intel 16.0.1
-  * Intel 17.1.043
+  * Intel 17.0.1
   * Intel 17.4.196
-  * Intel 18.0.128
+  * Intel 18.2.128
   * Clang 3.6.1
   * Clang 3.7.1
   * Clang 3.8.1
   * Clang 3.9.0
   * Clang 4.0.0
-  * Clang 4.0.0 for CUDA (CUDA Toolkit 8.0.44)
-  * Clang 6.0.0 for CUDA (CUDA Toolkit 9.1)
-  * PGI 17.10
-  * NVCC 7.0 for CUDA (with gcc 4.8.4)
+  * Clang 6.0.0 for CUDA (CUDA Toolkit 9.0)
+  * Clang 7.0.0 for CUDA (CUDA Toolkit 9.1)
+  * PGI 18.7
   * NVCC 7.5 for CUDA (with gcc 4.8.4)
   * NVCC 8.0.44 for CUDA (with gcc 5.3.0)
   * NVCC 9.1 for CUDA (with gcc 6.1.0)
 
 ### Primary tested compilers on Power 8 are:
-  * GCC 5.4.0 (OpenMP,Serial)
-  * IBM XL 13.1.6 (OpenMP, Serial)
-  * NVCC 8.0.44 for CUDA (with gcc 5.4.0)
-  * NVCC 9.0.103 for CUDA (with gcc 6.3.0 and XL 13.1.6)
+  * GCC 6.4.0 (OpenMP,Serial)
+  * GCC 7.2.0 (OpenMP,Serial)
+  * IBM XL 16.1.0 (OpenMP, Serial)
+  * NVCC 9.2.88 for CUDA (with gcc 7.2.0 and XL 16.1.0)
 
 ### Primary tested compilers on Intel KNL are:
-  * GCC 6.2.0
   * Intel 16.4.258 (with gcc 4.7.2)
   * Intel 17.2.174 (with gcc 4.9.3)
-  * Intel 18.0.128 (with gcc 4.9.3)
+  * Intel 18.2.199 (with gcc 4.9.3)
 
-### Primary tested compilers on ARM
-  * GCC 6.1.0 
+### Primary tested compilers on ARM (Cavium ThunderX2)
+  * GCC 7.2.0 
+  * ARM/Clang 18.4.0
   
 ### Other compilers working:
   * X86:
    - Cygwin 2.1.0 64bit with gcc 4.9.3
+   - GCC 8.1.0 (not warning free)
 
 ### Known non-working combinations:
   * Power8:
diff --git a/lib/kokkos/algorithms/src/Kokkos_Random.hpp b/lib/kokkos/algorithms/src/Kokkos_Random.hpp
index 5f1d88bfff..e14471a48a 100644
--- a/lib/kokkos/algorithms/src/Kokkos_Random.hpp
+++ b/lib/kokkos/algorithms/src/Kokkos_Random.hpp
@@ -697,6 +697,7 @@ namespace Kokkos {
     typedef Random_XorShift64<DeviceType> generator_type;
     typedef DeviceType device_type;
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift64_Pool() {
       num_states_ = 0;
     }
@@ -709,12 +710,14 @@ namespace Kokkos {
 #endif
     }
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift64_Pool(const Random_XorShift64_Pool& src):
       locks_(src.locks_),
       state_(src.state_),
       num_states_(src.num_states_)
     {}
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift64_Pool operator = (const Random_XorShift64_Pool& src) {
       locks_ = src.locks_;
       state_ = src.state_;
@@ -958,6 +961,7 @@ namespace Kokkos {
 
     typedef DeviceType device_type;
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift1024_Pool() {
       num_states_ = 0;
     }
@@ -972,6 +976,7 @@ namespace Kokkos {
 #endif
     }
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift1024_Pool(const Random_XorShift1024_Pool& src):
       locks_(src.locks_),
       state_(src.state_),
@@ -979,6 +984,7 @@ namespace Kokkos {
       num_states_(src.num_states_)
     {}
 
+    KOKKOS_INLINE_FUNCTION
     Random_XorShift1024_Pool operator = (const Random_XorShift1024_Pool& src) {
       locks_ = src.locks_;
       state_ = src.state_;
diff --git a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
index c952b1e541..8bdd876723 100644
--- a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
+++ b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp
@@ -246,8 +246,8 @@ public:
   {
     bin_count_atomic = Kokkos::View<int*, Space >("Kokkos::SortImpl::BinSortFunctor::bin_count",bin_op.max_bins());
     bin_count_const =  bin_count_atomic;
-    bin_offsets =      offset_type("Kokkos::SortImpl::BinSortFunctor::bin_offsets",bin_op.max_bins());
-    sort_order =       offset_type("PermutationVector",range_end-range_begin);
+    bin_offsets =      offset_type(ViewAllocateWithoutInitializing("Kokkos::SortImpl::BinSortFunctor::bin_offsets"),bin_op.max_bins());
+    sort_order =       offset_type(ViewAllocateWithoutInitializing("Kokkos::SortImpl::BinSortFunctor::sort_order"),range_end-range_begin);
   }
 
   BinSort( const_key_view_type  keys_
@@ -290,7 +290,7 @@ public:
 
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     scratch_view_type
-      sorted_values("Scratch",
+      sorted_values(ViewAllocateWithoutInitializing("Kokkos::SortImpl::BinSortFunctor::sorted_values"),
                     len,
                     values.extent(1),
                     values.extent(2),
@@ -301,7 +301,7 @@ public:
                     values.extent(7));
 #else
     scratch_view_type
-      sorted_values("Scratch",
+      sorted_values(ViewAllocateWithoutInitializing("Kokkos::SortImpl::BinSortFunctor::sorted_values"),
                   values.rank_dynamic > 0 ? len : KOKKOS_IMPL_CTOR_DEFAULT_ARG,
                   values.rank_dynamic > 1 ? values.extent(1) : KOKKOS_IMPL_CTOR_DEFAULT_ARG ,
                   values.rank_dynamic > 2 ? values.extent(2) : KOKKOS_IMPL_CTOR_DEFAULT_ARG,
@@ -483,7 +483,7 @@ struct BinOp3D {
     if (keys(i1,0)>keys(i2,0)) return true;
     else if (keys(i1,0)==keys(i2,0)) {
       if (keys(i1,1)>keys(i2,1)) return true;
-      else if (keys(i1,1)==keys(i2,2)) {
+      else if (keys(i1,1)==keys(i2,1)) {
         if (keys(i1,2)>keys(i2,2)) return true;
       }
     }
diff --git a/lib/kokkos/benchmarks/gups/Makefile b/lib/kokkos/benchmarks/gups/Makefile
new file mode 100644
index 0000000000..7176111664
--- /dev/null
+++ b/lib/kokkos/benchmarks/gups/Makefile
@@ -0,0 +1,41 @@
+#Set your Kokkos path to something appropriate
+KOKKOS_PATH = ${HOME}/git/kokkos-github-repo
+KOKKOS_DEVICES = "Cuda"
+KOKKOS_ARCH = "Pascal60"
+KOKKOS_CUDA_OPTIONS = enable_lambda
+#KOKKOS_DEVICES = "OpenMP"
+#KOKKOS_ARCH = "Power8"
+
+SRC = gups-kokkos.cc
+
+default: build
+	echo "Start Build"
+	
+CXXFLAGS = -O3
+CXX = ${HOME}/git/kokkos-github-repo/bin/nvcc_wrapper
+#CXX = g++
+
+LINK = ${CXX}
+
+LINKFLAGS =  
+EXE = gups-kokkos
+
+DEPFLAGS = -M
+
+OBJ = $(SRC:.cc=.o)
+LIB =
+
+include $(KOKKOS_PATH)/Makefile.kokkos
+
+build: $(EXE)
+
+$(EXE): $(OBJ) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(KOKKOS_LDFLAGS) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(KOKKOS_LIBS) $(LIB) -o $(EXE)
+
+clean: kokkos-clean 
+	rm -f *.o $(EXE)
+
+# Compilation rules
+
+%.o:%.cc $(KOKKOS_CPP_DEPENDS)
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) $(EXTRA_INC) -c $<
diff --git a/lib/kokkos/benchmarks/gups/gups-kokkos.cc b/lib/kokkos/benchmarks/gups/gups-kokkos.cc
new file mode 100644
index 0000000000..4602adda79
--- /dev/null
+++ b/lib/kokkos/benchmarks/gups/gups-kokkos.cc
@@ -0,0 +1,199 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include "Kokkos_Core.hpp"
+#include <cstdio>
+#include <cstdlib>
+#include <cmath>
+
+#include <sys/time.h>
+
+#define HLINE "-------------------------------------------------------------\n"
+
+#if defined(KOKKOS_ENABLE_CUDA)
+typedef Kokkos::View<int64_t*, Kokkos::CudaSpace>::HostMirror GUPSHostArray;
+typedef Kokkos::View<int64_t*, Kokkos::CudaSpace> GUPSDeviceArray;
+#else
+typedef Kokkos::View<int64_t*, Kokkos::HostSpace>::HostMirror GUPSHostArray;
+typedef Kokkos::View<int64_t*, Kokkos::HostSpace> GUPSDeviceArray;
+#endif
+
+typedef int GUPSIndex;
+
+double now() {
+	struct timeval now;
+	gettimeofday(&now, NULL);
+
+	return (double) now.tv_sec + ((double) now.tv_usec * 1.0e-6);
+}
+
+void randomize_indices(GUPSHostArray& indices, GUPSDeviceArray& dev_indices, const int64_t dataCount) {
+	for( GUPSIndex i = 0; i < indices.extent(0); ++i ) {
+		indices[i] = lrand48() % dataCount;
+	}
+
+	Kokkos::deep_copy(dev_indices, indices);
+}
+
+void run_gups(GUPSDeviceArray& indices, GUPSDeviceArray& data, const int64_t datum,
+	const bool performAtomics) {
+
+	if( performAtomics ) {
+		Kokkos::parallel_for("bench-gups-atomic", indices.extent(0), KOKKOS_LAMBDA(const GUPSIndex i) {
+			Kokkos::atomic_fetch_xor( &data[indices[i]], datum );
+		});
+	} else {
+		Kokkos::parallel_for("bench-gups-non-atomic", indices.extent(0), KOKKOS_LAMBDA(const GUPSIndex i) {
+			data[indices[i]] ^= datum;
+		});
+	}
+
+	Kokkos::fence();
+}
+
+int run_benchmark(const GUPSIndex indicesCount, const GUPSIndex dataCount, const int repeats,
+	const bool useAtomics) {
+
+	printf("Reports fastest timing per kernel\n");
+	printf("Creating Views...\n");
+
+	printf("Memory Sizes:\n");
+	printf("- Elements:      %15" PRIu64 " (%12.4f MB)\n", static_cast<uint64_t>(dataCount),
+		1.0e-6 * ((double) dataCount * (double) sizeof(int64_t)));
+	printf("- Indices:       %15" PRIu64 " (%12.4f MB)\n", static_cast<uint64_t>(indicesCount),
+		1.0e-6 * ((double) indicesCount * (double) sizeof(int64_t)));
+	printf(" - Atomics:      %15s\n", (useAtomics ? "Yes" : "No") );
+	printf("Benchmark kernels will be performed for %d iterations.\n", repeats);
+
+	printf(HLINE);
+
+	GUPSDeviceArray dev_indices("indices", indicesCount);
+	GUPSDeviceArray dev_data("data", dataCount);
+	int64_t datum = -1;
+
+	GUPSHostArray indices = Kokkos::create_mirror_view(dev_indices);
+	GUPSHostArray data    = Kokkos::create_mirror_view(dev_data);
+
+	double gupsTime  = 0.0;
+
+	printf("Initializing Views...\n");
+
+#if defined(KOKKOS_HAVE_OPENMP)
+	Kokkos::parallel_for("init-data", Kokkos::RangePolicy<Kokkos::OpenMP>(0, dataCount),
+#else
+	Kokkos::parallel_for("init-data", Kokkos::RangePolicy<Kokkos::Serial>(0, dataCount),
+#endif
+		KOKKOS_LAMBDA(const int i) {
+
+		data[i] = 10101010101;
+	});
+
+#if defined(KOKKOS_HAVE_OPENMP)
+	Kokkos::parallel_for("init-indices", Kokkos::RangePolicy<Kokkos::OpenMP>(0, indicesCount),
+#else
+	Kokkos::parallel_for("init-indices", Kokkos::RangePolicy<Kokkos::Serial>(0, indicesCount),
+#endif
+		KOKKOS_LAMBDA(const int i) {
+
+		indices[i] = 0;
+	});
+
+	Kokkos::deep_copy(dev_data, data);
+	Kokkos::deep_copy(dev_indices, indices);
+	double start;
+
+	printf("Starting benchmarking...\n");
+
+	for( GUPSIndex k = 0; k < repeats; ++k ) {
+		randomize_indices(indices, dev_indices, data.extent(0));
+
+		start = now();
+		run_gups(dev_indices, dev_data, datum, useAtomics);
+		gupsTime += now() - start;
+	}
+
+	Kokkos::deep_copy(indices, dev_indices);
+	Kokkos::deep_copy(data, dev_data);
+
+	printf(HLINE);
+	printf("GUP/s Random:      %18.6f\n",
+		(1.0e-9 * ((double) repeats) * (double) dev_indices.extent(0)) / gupsTime);
+	printf(HLINE);
+
+	return 0;
+}
+
+int main(int argc, char* argv[]) {
+
+	printf(HLINE);
+	printf("Kokkos GUPS Benchmark\n");
+	printf(HLINE);
+
+	srand48(1010101);
+
+	Kokkos::initialize(argc, argv);
+
+	int64_t indices = 8192;
+	int64_t data    = 33554432;
+	int64_t repeats = 10;
+	bool useAtomics = false;
+
+	for( int i = 1; i < argc; ++i ) {
+		if( strcmp( argv[i], "--indices" ) == 0 ) {
+			indices = std::atoll(argv[i+1]);
+			++i;
+		} else if( strcmp( argv[i], "--data" ) == 0 ) {
+			data = std::atoll(argv[i+1]);
+			++i;
+		} else if( strcmp( argv[i], "--repeats" ) == 0 ) {
+			repeats = std::atoll(argv[i+1]);
+			++i;
+		} else if( strcmp( argv[i], "--atomics" ) == 0 ) {
+			useAtomics = true;
+		}
+	}
+
+	const int rc = run_benchmark(indices, data, repeats, useAtomics);
+
+	Kokkos::finalize();
+
+	return rc;
+}
diff --git a/lib/kokkos/benchmarks/stream/Makefile b/lib/kokkos/benchmarks/stream/Makefile
new file mode 100644
index 0000000000..04566b322d
--- /dev/null
+++ b/lib/kokkos/benchmarks/stream/Makefile
@@ -0,0 +1,41 @@
+#Set your Kokkos path to something appropriate
+KOKKOS_PATH = ${HOME}/git/kokkos-github-repo
+#KOKKOS_DEVICES = "Cuda"
+#KOKKOS_ARCH = "Pascal60"
+#KOKKOS_CUDA_OPTIONS = enable_lambda
+KOKKOS_DEVICES = "OpenMP"
+KOKKOS_ARCH = "Power8"
+
+SRC = stream-kokkos.cc
+
+default: build
+	echo "Start Build"
+	
+CXXFLAGS = -O3
+#CXX = ${HOME}/git/kokkos-github-repo/bin/nvcc_wrapper
+CXX = g++
+
+LINK = ${CXX}
+
+LINKFLAGS =  
+EXE = stream-kokkos
+
+DEPFLAGS = -M
+
+OBJ = $(SRC:.cc=.o)
+LIB =
+
+include $(KOKKOS_PATH)/Makefile.kokkos
+
+build: $(EXE)
+
+$(EXE): $(OBJ) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(KOKKOS_LDFLAGS) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(KOKKOS_LIBS) $(LIB) -o $(EXE)
+
+clean: kokkos-clean 
+	rm -f *.o $(EXE)
+
+# Compilation rules
+
+%.o:%.cc $(KOKKOS_CPP_DEPENDS)
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) $(EXTRA_INC) -c $<
diff --git a/lib/kokkos/benchmarks/stream/stream-kokkos.cc b/lib/kokkos/benchmarks/stream/stream-kokkos.cc
new file mode 100644
index 0000000000..370995432e
--- /dev/null
+++ b/lib/kokkos/benchmarks/stream/stream-kokkos.cc
@@ -0,0 +1,265 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include "Kokkos_Core.hpp"
+#include <cstdio>
+#include <cstdlib>
+#include <cmath>
+
+#include <sys/time.h>
+
+#define STREAM_ARRAY_SIZE 100000000
+#define STREAM_NTIMES     20
+
+#define HLINE "-------------------------------------------------------------\n"
+
+#if defined(KOKKOS_ENABLE_CUDA)
+typedef Kokkos::View<double*, Kokkos::CudaSpace>::HostMirror StreamHostArray;
+typedef Kokkos::View<double*, Kokkos::CudaSpace> StreamDeviceArray;
+#else
+typedef Kokkos::View<double*, Kokkos::HostSpace>::HostMirror StreamHostArray;
+typedef Kokkos::View<double*, Kokkos::HostSpace> StreamDeviceArray;
+#endif
+
+typedef int StreamIndex;
+
+double now() {
+	struct timeval now;
+	gettimeofday(&now, NULL);
+
+	return (double) now.tv_sec + ((double) now.tv_usec * 1.0e-6);
+}
+
+void perform_copy(StreamDeviceArray& a, StreamDeviceArray& b, StreamDeviceArray& c) {
+
+	Kokkos::parallel_for("copy", a.extent(0), KOKKOS_LAMBDA(const StreamIndex i) {
+		c[i] = a[i];
+	});
+
+	Kokkos::fence();
+}
+
+void perform_scale(StreamDeviceArray& a, StreamDeviceArray& b, StreamDeviceArray& c,
+       	const double scalar) {
+
+	Kokkos::parallel_for("copy", a.extent(0), KOKKOS_LAMBDA(const StreamIndex i) {
+		b[i] = scalar * c[i];
+	});
+
+	Kokkos::fence();
+}
+
+void perform_add(StreamDeviceArray& a, StreamDeviceArray& b, StreamDeviceArray& c) {
+	Kokkos::parallel_for("add", a.extent(0), KOKKOS_LAMBDA(const StreamIndex i) {
+                c[i] = a[i] + b[i];
+        });
+
+	Kokkos::fence();
+}
+
+void perform_triad(StreamDeviceArray& a, StreamDeviceArray& b, StreamDeviceArray& c,
+	const double scalar) {
+
+	Kokkos::parallel_for("triad", a.extent(0), KOKKOS_LAMBDA(const StreamIndex i) {
+		a[i] = b[i] + scalar * c[i];
+	});
+
+	Kokkos::fence();
+}
+
+int perform_validation(StreamHostArray& a, StreamHostArray& b, StreamHostArray& c,
+	const StreamIndex arraySize, const double scalar) {
+
+	double ai = 1.0;
+	double bi = 2.0;
+	double ci = 0.0;
+
+	for( StreamIndex i = 0; i < arraySize; ++i ) {
+		ci = ai;
+		bi = scalar * ci;
+		ci = ai + bi;
+		ai = bi + scalar * ci;
+	};
+
+	double aError = 0.0;
+	double bError = 0.0;
+	double cError = 0.0;
+
+	for( StreamIndex i = 0; i < arraySize; ++i ) {
+		aError = std::abs( a[i] - ai );
+		bError = std::abs( b[i] - bi );
+		cError = std::abs( c[i] - ci );
+	}
+
+	double aAvgError = aError / (double) arraySize;
+	double bAvgError = bError / (double) arraySize;
+	double cAvgError = cError / (double) arraySize;
+
+	const double epsilon = 1.0e-13;
+	int errorCount = 0;
+
+	if( std::abs( aAvgError / ai ) > epsilon ) {
+		fprintf(stderr, "Error: validation check on View a failed.\n");
+		errorCount++;
+	}
+
+	if( std::abs( bAvgError / bi ) > epsilon ) {
+		fprintf(stderr, "Error: validation check on View b failed.\n");
+		errorCount++;
+	}
+
+	if( std::abs( cAvgError / ci ) > epsilon ) {
+		fprintf(stderr, "Error: validation check on View c failed.\n");
+		errorCount++;
+	}
+
+	if( errorCount == 0 ) {
+		printf("All solutions checked and verified.\n");
+	}
+
+	return errorCount;
+}
+
+int run_benchmark() {
+
+	printf("Reports fastest timing per kernel\n");
+	printf("Creating Views...\n");
+
+	printf("Memory Sizes:\n");
+	printf("- Array Size:    %" PRIu64 "\n", static_cast<uint64_t>(STREAM_ARRAY_SIZE));
+	printf("- Per Array:     %12.2f MB\n", 1.0e-6 * (double) STREAM_ARRAY_SIZE * (double) sizeof(double));
+	printf("- Total:         %12.2f MB\n", 3.0e-6 * (double) STREAM_ARRAY_SIZE * (double) sizeof(double));
+
+	printf("Benchmark kernels will be performed for %d iterations.\n", STREAM_NTIMES);
+
+	printf(HLINE);
+
+	StreamDeviceArray dev_a("a", STREAM_ARRAY_SIZE);
+	StreamDeviceArray dev_b("b", STREAM_ARRAY_SIZE);
+	StreamDeviceArray dev_c("c", STREAM_ARRAY_SIZE);
+
+	StreamHostArray a = Kokkos::create_mirror_view(dev_a);
+	StreamHostArray b = Kokkos::create_mirror_view(dev_b);
+	StreamHostArray c = Kokkos::create_mirror_view(dev_c);
+
+	const double scalar = 3.0;
+
+	double copyTime  = std::numeric_limits<double>::max();
+	double scaleTime = std::numeric_limits<double>::max();
+	double addTime   = std::numeric_limits<double>::max();
+	double triadTime = std::numeric_limits<double>::max();
+
+	printf("Initializing Views...\n");
+
+#if defined(KOKKOS_HAVE_OPENMP)
+	Kokkos::parallel_for("init", Kokkos::RangePolicy<Kokkos::OpenMP>(0, STREAM_ARRAY_SIZE),
+#else
+	Kokkos::parallel_for("init", Kokkos::RangePolicy<Kokkos::Serial>(0, STREAM_ARRAY_SIZE),
+#endif
+		KOKKOS_LAMBDA(const int i) {
+
+		a[i] = 1.0;
+		b[i] = 2.0;
+		c[i] = 0.0;
+	});
+
+	// Copy contents of a (from the host) to the dev_a (device)
+	Kokkos::deep_copy(dev_a, a);
+	Kokkos::deep_copy(dev_b, b);
+	Kokkos::deep_copy(dev_c, c);
+
+	double start;
+
+	printf("Starting benchmarking...\n");
+
+	for( StreamIndex k = 0; k < STREAM_NTIMES; ++k ) {
+		start = now();
+		perform_copy(dev_a, dev_b, dev_c);
+		copyTime = std::min( copyTime, (now() - start) );
+
+		start = now();
+		perform_scale(dev_a, dev_b, dev_c, scalar);
+		scaleTime = std::min( scaleTime, (now() - start) );
+
+		start = now();
+		perform_add(dev_a, dev_b, dev_c);
+		addTime = std::min( addTime, (now() - start) );
+
+		start = now();
+		perform_triad(dev_a, dev_b, dev_c, scalar);
+		triadTime = std::min( triadTime, (now() - start) );
+	}
+
+	Kokkos::deep_copy(a, dev_a);
+	Kokkos::deep_copy(b, dev_b);
+	Kokkos::deep_copy(c, dev_c);
+
+	printf("Performing validation...\n");
+	int rc = perform_validation(a, b, c, STREAM_ARRAY_SIZE, scalar);
+
+	printf(HLINE);
+
+	printf("Copy            %11.2f MB/s\n",
+		( 1.0e-06 * 2.0 * (double) sizeof(double) * (double) STREAM_ARRAY_SIZE) / copyTime );
+	printf("Scale           %11.2f MB/s\n",
+		( 1.0e-06 * 2.0 * (double) sizeof(double) * (double) STREAM_ARRAY_SIZE) / scaleTime );
+	printf("Add             %11.2f MB/s\n",
+		( 1.0e-06 * 3.0 * (double) sizeof(double) * (double) STREAM_ARRAY_SIZE) / addTime );
+	printf("Triad           %11.2f MB/s\n",
+		( 1.0e-06 * 3.0 * (double) sizeof(double) * (double) STREAM_ARRAY_SIZE) / triadTime );
+
+	printf(HLINE);
+
+	return rc;
+}
+
+int main(int argc, char* argv[]) {
+
+	printf(HLINE);
+	printf("Kokkos STREAM Benchmark\n");
+	printf(HLINE);
+
+	Kokkos::initialize(argc, argv);
+	const int rc = run_benchmark();
+	Kokkos::finalize();
+
+	return rc;
+}
diff --git a/lib/kokkos/bin/hpcbind b/lib/kokkos/bin/hpcbind
index 92f9f81ac9..b185a92821 100755
--- a/lib/kokkos/bin/hpcbind
+++ b/lib/kokkos/bin/hpcbind
@@ -125,18 +125,20 @@ function show_help {
   echo "  --openmp-ratio=N/D    Ratio of the cpuset to use for OpenMP"
   echo "                        Default: 1"
   echo "  --openmp-places=<Op>  Op=threads|cores|sockets. Default: threads"
-  echo "  --no-openmp-proc-bind Set OMP_PROC_BIND to false and unset OMP_PLACES"
-  echo "  --force-openmp-num-threads=N"
+  echo "  --openmp-num-threads=N"
   echo "                        Override logic for selecting OMP_NUM_THREADS"
-  echo "  --force-openmp-proc-bind=<OP>"
+  echo "  --openmp-proc-bind=<OP>"
   echo "                        Override logic for selecting OMP_PROC_BIND"
-  echo "  --no-openmp-nested    Set OMP_NESTED to false"
+  echo "  --openmp-nested       Set OMP_NESTED to true"
+  echo "  --no-openmp-proc-bind Set OMP_PROC_BIND to false and unset OMP_PLACES"
   echo "  --output-prefix=<P>   Save the output to files of the form"
   echo "                        P.hpcbind.N, P.stdout.N and P.stderr.N where P is "
   echo "                        the prefix and N is the rank (no spaces)"
   echo "  --output-mode=<Op>    How console output should be handled."
   echo "                        Options are all, rank0, and none.  Default: rank0" 
   echo "  --lstopo              Show bindings in lstopo"
+  echo "  --save-topology=<Xml>  Save the topology to the given xml file"
+  echo "  --load-topology=<Xml>  Load a previously saved topology from an xml file"
   echo "  -v|--verbose          Print bindings and relevant environment variables"
   echo "  -h|--help             Show this message"
   echo ""
@@ -189,7 +191,7 @@ HPCBIND_OPENMP_PLACES=${OMP_PLACES:-threads}
 declare -i HPCBIND_OPENMP_PROC_BIND=1
 HPCBIND_OPENMP_FORCE_NUM_THREADS=""
 HPCBIND_OPENMP_FORCE_PROC_BIND=""
-declare -i HPCBIND_OPENMP_NESTED=1
+declare -i HPCBIND_OPENMP_NESTED=0
 declare -i HPCBIND_VERBOSE=0
 
 declare -i HPCBIND_LSTOPO=0
@@ -197,6 +199,9 @@ declare -i HPCBIND_LSTOPO=0
 HPCBIND_OUTPUT_PREFIX=""
 HPCBIND_OUTPUT_MODE="rank0"
 
+HPCBIND_OUTPUT_TOPOLOGY=""
+HPCBIND_INPUT_TOPOLOGY=""
+
 declare -i HPCBIND_HAS_COMMAND=0
 
 for i in "$@"; do
@@ -276,10 +281,22 @@ for i in "$@"; do
       HPCBIND_OPENMP_NESTED=0
       shift
       ;;
+    --openmp-nested)
+      HPCBIND_OPENMP_NESTED=1
+      shift
+      ;;
     --output-prefix=*)
       HPCBIND_OUTPUT_PREFIX="${i#*=}"
       shift
       ;;
+    --save-topology=*)
+      HPCBIND_OUTPUT_TOPOLOGY="${i#*=}"
+      shift
+      ;;
+    --load-topology=*)
+      HPCBIND_INPUT_TOPOLOGY="${i#*=}"
+      shift
+      ;;
     --output-mode=*)
       HPCBIND_OUTPUT_MODE="${i#*=}"
       #convert to lower case
@@ -327,24 +344,37 @@ elif [[ ${HPCBIND_QUEUE_RANK} -eq 0 ]]; then
   HPCBIND_TEE=1
 fi
 
+# Save the topology to the given xml file
+if [[ "${HPCBIND_OUTPUT_TOPOLOGY}" != "" ]]; then
+  if [[ ${HPCBIND_QUEUE_RANK} -eq 0 ]]; then
+    lstopo-no-graphics "${HPCBIND_OUTPUT_TOPOLOGY}"
+  else
+    lstopo-no-graphics >/dev/null 2>&1
+  fi
+fi
+
+# Load the topology to the given xml file
+if [[ "${HPCBIND_INPUT_TOPOLOGY}" != "" ]]; then
+  if [ -f ${HPCBIND_INPUT_TOPOLOGY} ]; then
+    export HWLOC_XMLFILE="${HPCBIND_INPUT_TOPOLOGY}"
+    export HWLOC_THISSYSTEM=1
+  fi
+fi
 
 if [[ "${HPCBIND_OUTPUT_PREFIX}" == "" ]]; then
   HPCBIND_LOG=/dev/null
   HPCBIND_ERR=/dev/null
   HPCBIND_OUT=/dev/null
 else
-  if [[ ${HPCBIND_QUEUE_SIZE} -gt 0 ]]; then
-    HPCBIND_STR_QUEUE_SIZE="${HPCBIND_QUEUE_SIZE}"
-    HPCBIND_STR_QUEUE_RANK=$(printf %0*d ${#HPCBIND_STR_QUEUE_SIZE} ${HPCBIND_QUEUE_RANK})
-
-    HPCBIND_LOG="${HPCBIND_OUTPUT_PREFIX}.hpcbind.${HPCBIND_STR_QUEUE_RANK}"
-    HPCBIND_ERR="${HPCBIND_OUTPUT_PREFIX}.stderr.${HPCBIND_STR_QUEUE_RANK}"
-    HPCBIND_OUT="${HPCBIND_OUTPUT_PREFIX}.stdout.${HPCBIND_STR_QUEUE_RANK}"
-  else
-    HPCBIND_LOG="${HPCBIND_OUTPUT_PREFIX}.hpcbind.${HPCBIND_QUEUE_RANK}"
-    HPCBIND_ERR="${HPCBIND_OUTPUT_PREFIX}.stderr.${HPCBIND_QUEUE_RANK}"
-    HPCBIND_OUT="${HPCBIND_OUTPUT_PREFIX}.stdout.${HPCBIND_QUEUE_RANK}"
+  if [[ ${HPCBIND_QUEUE_SIZE} -le 0 ]]; then
+    HPCBIND_QUEUE_SIZE=1
   fi
+  HPCBIND_STR_QUEUE_SIZE="${HPCBIND_QUEUE_SIZE}"
+  HPCBIND_STR_QUEUE_RANK=$(printf %0*d ${#HPCBIND_STR_QUEUE_SIZE} ${HPCBIND_QUEUE_RANK})
+
+  HPCBIND_LOG="${HPCBIND_OUTPUT_PREFIX}.hpcbind.${HPCBIND_STR_QUEUE_RANK}"
+  HPCBIND_ERR="${HPCBIND_OUTPUT_PREFIX}.stderr.${HPCBIND_STR_QUEUE_RANK}"
+  HPCBIND_OUT="${HPCBIND_OUTPUT_PREFIX}.stdout.${HPCBIND_STR_QUEUE_RANK}"
   > ${HPCBIND_LOG}
 fi
 
@@ -546,6 +576,8 @@ if [[ ${HPCBIND_TEE} -eq 0 || ${HPCBIND_VERBOSE} -eq 0 ]]; then
   hostname -s >> ${HPCBIND_LOG}
   echo "[HPCBIND]" >> ${HPCBIND_LOG}
   echo "${TMP_ENV}" | grep -E "^HPCBIND_" >> ${HPCBIND_LOG}
+  echo "[HWLOC]" >> ${HPCBIND_LOG}
+  echo "${TMP_ENV}" | grep -E "^HWLOC_" >> ${HPCBIND_LOG}
   echo "[CUDA]" >> ${HPCBIND_LOG}
   echo "${TMP_ENV}" | grep -E "^CUDA_" >> ${HPCBIND_LOG}
   echo "[OPENMP]" >> ${HPCBIND_LOG}
@@ -568,6 +600,8 @@ else
   hostname -s > >(tee -a ${HPCBIND_LOG})
   echo "[HPCBIND]" > >(tee -a ${HPCBIND_LOG})
   echo "${TMP_ENV}" | grep -E "^HPCBIND_" > >(tee -a ${HPCBIND_LOG})
+  echo "[HWLOC]" > >(tee -a ${HPCBIND_LOG})
+  echo "${TMP_ENV}" | grep -E "^HWLOC_" > >(tee -a ${HPCBIND_LOG})
   echo "[CUDA]" > >(tee -a ${HPCBIND_LOG})
   echo "${TMP_ENV}" | grep -E "^CUDA_" > >(tee -a ${HPCBIND_LOG})
   echo "[OPENMP]" > >(tee -a ${HPCBIND_LOG})
diff --git a/lib/kokkos/bin/nvcc_wrapper b/lib/kokkos/bin/nvcc_wrapper
index d339da4fcd..f926ae024c 100755
--- a/lib/kokkos/bin/nvcc_wrapper
+++ b/lib/kokkos/bin/nvcc_wrapper
@@ -74,6 +74,9 @@ dry_run=0
 host_only=0
 host_only_args=""
 
+# Just run version on host compiler
+get_host_version=0
+
 # Enable workaround for CUDA 6.5 for pragma ident 
 replace_pragma_ident=0
 
@@ -93,6 +96,9 @@ depfile_separate=0
 depfile_output_arg=""
 depfile_target_arg=""
 
+# Option to remove duplicate libraries and object files
+remove_duplicate_link_files=0
+
 #echo "Arguments: $# $@"
 
 while [ $# -gt 0 ]
@@ -106,10 +112,18 @@ do
   --host-only)
     host_only=1
     ;;
+  #get the host version only
+  --host-version)
+    get_host_version=1
+    ;;
   #replace '#pragma ident' with '#ident' this is needed to compile OpenMPI due to a configure script bug and a non standardized behaviour of pragma with macros
   --replace-pragma-ident)
     replace_pragma_ident=1
     ;;
+  #remove duplicate link files
+  --remove-duplicate-link-files)
+    remove_duplicate_link_files=1
+    ;;
   #handle source files to be compiled as cuda files
   *.cpp|*.cxx|*.cc|*.C|*.c++|*.cu)
     cpp_files="$cpp_files $1"
@@ -124,7 +138,12 @@ do
     fi
     ;;
   #Handle shared args (valid for both nvcc and the host compiler)
-  -D*|-I*|-L*|-l*|-g|--help|--version|-E|-M|-shared)
+  -D*)
+    unescape_commas=`echo "$1" | sed -e 's/\\\,/,/g'`
+    arg=`printf "%q" $unescape_commas`
+    shared_args="$shared_args $arg"
+    ;;
+  -I*|-L*|-l*|-g|--help|--version|-E|-M|-shared|-w)
     shared_args="$shared_args $1"
     ;;
   #Handle compilation argument
@@ -152,7 +171,7 @@ do
     shift
     ;;
   #Handle known nvcc args
-  -gencode*|--dryrun|--verbose|--keep|--keep-dir*|-G|--relocatable-device-code*|-lineinfo|-expt-extended-lambda|--resource-usage|-Xptxas*)
+  --dryrun|--verbose|--keep|--keep-dir*|-G|--relocatable-device-code*|-lineinfo|-expt-extended-lambda|--resource-usage|-Xptxas*)
     cuda_args="$cuda_args $1"
     ;;
   #Handle more known nvcc args
@@ -164,8 +183,11 @@ do
     cuda_args="$cuda_args $1 $2"
     shift
     ;;
+  -rdc=*|-maxrregcount*|--maxrregcount*)
+    cuda_args="$cuda_args $1"
+    ;;
   #Handle c++11
-  --std=c++11|-std=c++11|--std=c++14|-std=c++14|--std=c++1z|-std=c++1z)
+  --std=c++11|-std=c++11|--std=c++14|-std=c++14|--std=c++1y|-std=c++1y|--std=c++17|-std=c++17|--std=c++1z|-std=c++1z)
     if [ $stdcxx_applied -eq 1 ]; then
        echo "nvcc_wrapper - *warning* you have set multiple optimization flags (-std=c++1* or --std=c++1*), only the first is used because nvcc can only accept a single std setting"
     else
@@ -205,6 +227,15 @@ do
     fi
     shift
     ;;
+  #Handle -+ (same as -x c++, specifically used for xl compilers, but mutually exclusive with -x. So replace it with -x c++)
+  -+)
+    if [ $first_xcompiler_arg -eq 1 ]; then
+      xcompiler_args="-x,c++"
+      first_xcompiler_arg=0
+    else
+      xcompiler_args="$xcompiler_args,-x,c++"
+    fi
+    ;;
   #Handle -ccbin (if its not set we can set it to a default value)
   -ccbin)
     cuda_args="$cuda_args $1 $2"
@@ -212,18 +243,39 @@ do
     host_compiler=$2
     shift
     ;;
-  #Handle -arch argument (if its not set use a default
-  -arch*)
+
+  #Handle -arch argument (if its not set use a default) this is the version with = sign
+  -arch*|-gencode*)
     cuda_args="$cuda_args $1"
     arch_set=1
     ;;
+  #Handle -code argument (if its not set use a default) this is the version with = sign
+  -code*)
+    cuda_args="$cuda_args $1"
+    ;;
+  #Handle -arch argument (if its not set use a default) this is the version without = sign
+  -arch|-gencode)
+    cuda_args="$cuda_args $1 $2"
+    arch_set=1
+    shift
+    ;;
+  #Handle -code argument (if its not set use a default) this is the version without = sign
+  -code)
+    cuda_args="$cuda_args $1 $2"
+    shift
+    ;;
   #Handle -Xcudafe argument
   -Xcudafe)
     cuda_args="$cuda_args -Xcudafe $2"
     shift
     ;;
+  #Handle -Xlinker argument
+  -Xlinker)
+    xlinker_args="$xlinker_args -Xlinker $2"
+    shift
+    ;;
   #Handle args that should be sent to the linker
-  -Wl*)
+  -Wl,*)
     xlinker_args="$xlinker_args -Xlinker ${1:4:${#1}}"
     host_linker_args="$host_linker_args ${1:4:${#1}}"
     ;;
@@ -256,6 +308,44 @@ do
   shift
 done
 
+# Only print host compiler version
+if [ $get_host_version -eq 1 ]; then
+  $host_compiler --version
+  exit
+fi
+
+#Remove duplicate object files
+if [ $remove_duplicate_link_files -eq 1 ]; then
+for obj in $object_files
+do
+  object_files_reverse="$obj $object_files_reverse"
+done
+
+object_files_reverse_clean=""
+for obj in $object_files_reverse
+do
+  exists=false
+  for obj2 in $object_files_reverse_clean
+  do
+    if [ "$obj" == "$obj2" ]
+    then
+      exists=true
+      echo "Exists: $obj"
+    fi
+  done
+  if [ "$exists" == "false" ]
+  then
+    object_files_reverse_clean="$object_files_reverse_clean $obj"
+  fi
+done
+
+object_files=""
+for obj in $object_files_reverse_clean
+do
+  object_files="$obj $object_files"
+done
+fi
+
 #Add default host compiler if necessary
 if [ $ccbin_set -ne 1 ]; then
   cuda_args="$cuda_args -ccbin $host_compiler"
@@ -328,10 +418,19 @@ fi
 
 #Run compilation command
 if [ $host_only -eq 1 ]; then
+  if [ "$NVCC_WRAPPER_SHOW_COMMANDS_BEING_RUN" == "1" ] ; then
+    echo "$host_command"
+  fi
   $host_command
 elif [ -n "$nvcc_depfile_command" ]; then
+  if [ "$NVCC_WRAPPER_SHOW_COMMANDS_BEING_RUN" == "1" ] ; then
+    echo "$nvcc_command && $nvcc_depfile_command"
+  fi
   $nvcc_command && $nvcc_depfile_command
 else
+  if [ "$NVCC_WRAPPER_SHOW_COMMANDS_BEING_RUN" == "1" ] ; then
+    echo "$nvcc_command"
+  fi
   $nvcc_command
 fi
 error_code=$?
diff --git a/lib/kokkos/cmake/kokkos_build.cmake b/lib/kokkos/cmake/kokkos_build.cmake
index 94dd733ca3..8178483d01 100644
--- a/lib/kokkos/cmake/kokkos_build.cmake
+++ b/lib/kokkos/cmake/kokkos_build.cmake
@@ -235,3 +235,7 @@ install(FILES
 # Install the export set for use with the install-tree
 INSTALL(EXPORT KokkosTargets DESTINATION
        "${INSTALL_CMAKE_DIR}")
+
+# build and install pkgconfig file
+CONFIGURE_FILE(core/src/kokkos.pc.in kokkos.pc @ONLY)
+INSTALL(FILES ${CMAKE_CURRENT_BINARY_DIR}/kokkos.pc DESTINATION lib/pkgconfig)
diff --git a/lib/kokkos/cmake/kokkos_functions.cmake b/lib/kokkos/cmake/kokkos_functions.cmake
index c0c62ccb6a..bc490115af 100644
--- a/lib/kokkos/cmake/kokkos_functions.cmake
+++ b/lib/kokkos/cmake/kokkos_functions.cmake
@@ -47,7 +47,7 @@ function(set_kokkos_cxx_compiler)
                     OUTPUT_VARIABLE INTERNAL_CXX_COMPILER_VERSION
                     OUTPUT_STRIP_TRAILING_WHITESPACE)
 
-    string(REGEX MATCH "[0-9]+\.[0-9]+\.[0-9]+$"
+    string(REGEX MATCH "[0-9]+\\.[0-9]+\\.[0-9]+$"
            INTERNAL_CXX_COMPILER_VERSION ${INTERNAL_CXX_COMPILER_VERSION})
   endif()
 
diff --git a/lib/kokkos/cmake/kokkos_options.cmake b/lib/kokkos/cmake/kokkos_options.cmake
index 80a091bb98..580d1d322b 100644
--- a/lib/kokkos/cmake/kokkos_options.cmake
+++ b/lib/kokkos/cmake/kokkos_options.cmake
@@ -41,7 +41,6 @@ list(APPEND KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST
 foreach(opt ${KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST})
   string(TOUPPER ${opt} OPT )
   IF(DEFINED Kokkos_ENABLE_${opt})
-    MESSAGE("Kokkos_ENABLE_${opt} is defined!")
     IF(DEFINED KOKKOS_ENABLE_${OPT})
       IF(NOT ("${KOKKOS_ENABLE_${OPT}}" STREQUAL "${Kokkos_ENABLE_${opt}}"))
         IF(DEFINED KOKKOS_ENABLE_${OPT}_INTERNAL)
@@ -59,7 +58,6 @@ foreach(opt ${KOKKOS_INTERNAL_ENABLE_OPTIONS_LIST})
       ENDIF()
     ELSE()
       SET(KOKKOS_INTERNAL_ENABLE_${OPT}_DEFAULT ${Kokkos_ENABLE_${opt}})
-      MESSAGE("set KOKKOS_INTERNAL_ENABLE_${OPT}_DEFAULT!")
     ENDIF()
   ENDIF()
 endforeach()
@@ -81,6 +79,7 @@ list(APPEND KOKKOS_ARCH_LIST
      ARMv80          # (HOST) ARMv8.0 Compatible CPU
      ARMv81          # (HOST) ARMv8.1 Compatible CPU
      ARMv8-ThunderX  # (HOST) ARMv8 Cavium ThunderX CPU
+     ARMv8-TX2       # (HOST) ARMv8 Cavium ThunderX2 CPU
      WSM             # (HOST) Intel Westmere CPU
      SNB             # (HOST) Intel Sandy/Ivy Bridge CPUs
      HSW             # (HOST) Intel Haswell CPUs
@@ -123,11 +122,18 @@ list(APPEND KOKKOS_DEVICES_LIST
 # List of possible TPLs for Kokkos
 # From Makefile.kokkos: Options: hwloc,librt,experimental_memkind
 set(KOKKOS_USE_TPLS_LIST)
+if(APPLE)
+list(APPEND KOKKOS_USE_TPLS_LIST
+    HWLOC          # hwloc
+    MEMKIND        # experimental_memkind
+    )
+else()
 list(APPEND KOKKOS_USE_TPLS_LIST
     HWLOC          # hwloc
     LIBRT          # librt
     MEMKIND        # experimental_memkind
     )
+endif()
 # Map of cmake variables to Makefile variables
 set(KOKKOS_INTERNAL_HWLOC hwloc)
 set(KOKKOS_INTERNAL_LIBRT librt)
@@ -172,6 +178,7 @@ set(KOKKOS_INTERNAL_LAMBDA enable_lambda)
 
 set(tmpr "\n       ")
 string(REPLACE ";" ${tmpr} KOKKOS_INTERNAL_ARCH_DOCSTR "${KOKKOS_ARCH_LIST}")
+set(KOKKOS_INTERNAL_ARCH_DOCSTR "${tmpr}${KOKKOS_INTERNAL_ARCH_DOCSTR}")
 # This would be useful, but we use Foo_ENABLE mechanisms
 #string(REPLACE ";" ${tmpr} KOKKOS_INTERNAL_DEVICES_DOCSTR "${KOKKOS_DEVICES_LIST}")
 #string(REPLACE ";" ${tmpr} KOKKOS_INTERNAL_USE_TPLS_DOCSTR "${KOKKOS_USE_TPLS_LIST}")
@@ -269,7 +276,7 @@ set(KOKKOS_ENABLE_PROFILING_LOAD_PRINT ${KOKKOS_INTERNAL_ENABLE_PROFILING_LOAD_P
 set_kokkos_default_default(DEPRECATED_CODE ON)
 set(KOKKOS_ENABLE_DEPRECATED_CODE ${KOKKOS_INTERNAL_ENABLE_DEPRECATED_CODE_DEFAULT} CACHE BOOL "Enable deprecated code.")
 
-set_kokkos_default_default(EXPLICIT_INSTANTIATION ON)
+set_kokkos_default_default(EXPLICIT_INSTANTIATION OFF)
 set(KOKKOS_ENABLE_EXPLICIT_INSTANTIATION ${KOKKOS_INTERNAL_ENABLE_EXPLICIT_INSTANTIATION_DEFAULT} CACHE BOOL "Enable explicit template instantiation.")
 
 #-------------------------------------------------------------------------------
diff --git a/lib/kokkos/cmake/kokkos_settings.cmake b/lib/kokkos/cmake/kokkos_settings.cmake
index 58b30ba24d..387ced6d52 100644
--- a/lib/kokkos/cmake/kokkos_settings.cmake
+++ b/lib/kokkos/cmake/kokkos_settings.cmake
@@ -15,16 +15,16 @@
 
 # Ensure that KOKKOS_ARCH is in the ARCH_LIST
 if (KOKKOS_ARCH MATCHES ",")
-  message("-- Detected a comma in: KOKKOS_ARCH=${KOKKOS_ARCH}")
+  message("-- Detected a comma in: KOKKOS_ARCH=`${KOKKOS_ARCH}`")
   message("-- Although we prefer KOKKOS_ARCH to be semicolon-delimited, we do allow")
   message("-- comma-delimited values for compatibility with scripts (see github.com/trilinos/Trilinos/issues/2330)")
   string(REPLACE "," ";" KOKKOS_ARCH "${KOKKOS_ARCH}")
-  message("-- Commas were changed to semicolons, now KOKKOS_ARCH=${KOKKOS_ARCH}")
+  message("-- Commas were changed to semicolons, now KOKKOS_ARCH=`${KOKKOS_ARCH}`")
 endif()
 foreach(arch ${KOKKOS_ARCH})
   list(FIND KOKKOS_ARCH_LIST ${arch} indx)
   if (indx EQUAL -1)
-    message(FATAL_ERROR "${arch} is not an accepted value for KOKKOS_ARCH."
+    message(FATAL_ERROR "`${arch}` is not an accepted value in KOKKOS_ARCH=`${KOKKOS_ARCH}`."
       "  Please pick from these choices: ${KOKKOS_INTERNAL_ARCH_DOCSTR}")
   endif ()
 endforeach()
@@ -130,7 +130,8 @@ string(REPLACE ";" ":" KOKKOS_INTERNAL_ADDTOPATH "${addpathl}")
 # Set the KOKKOS_SETTINGS String -- this is the primary communication with the
 # makefile configuration.  See Makefile.kokkos
 
-set(KOKKOS_SETTINGS KOKKOS_SRC_PATH=${KOKKOS_SRC_PATH})
+set(KOKKOS_SETTINGS KOKKOS_CMAKE=yes)
+set(KOKKOS_SETTINGS ${KOKKOS_SETTINGS} KOKKOS_SRC_PATH=${KOKKOS_SRC_PATH})
 set(KOKKOS_SETTINGS ${KOKKOS_SETTINGS} KOKKOS_PATH=${KOKKOS_PATH})
 set(KOKKOS_SETTINGS ${KOKKOS_SETTINGS} KOKKOS_INSTALL_PATH=${CMAKE_INSTALL_PREFIX})
 
diff --git a/lib/kokkos/config/test_all_sandia b/lib/kokkos/config/test_all_sandia
index 15e6049afb..d94c38cbc6 100755
--- a/lib/kokkos/config/test_all_sandia
+++ b/lib/kokkos/config/test_all_sandia
@@ -241,17 +241,16 @@ elif [ "$MACHINE" = "white" ]; then
 
   BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
   IBM_MODULE_LIST="<COMPILER_NAME>/xl/<COMPILER_VERSION>"
-  CUDA_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/5.4.0"
-  CUDA_MODULE_LIST2="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/6.3.0,ibm/xl/13.1.6"
+  CUDA_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/6.4.0,ibm/xl/16.1.0"
 
   # Don't do pthread on white.
   GCC_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
 
   # Format: (compiler module-list build-list exe-name warning-flag)
   COMPILERS=("gcc/5.4.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
-             "ibm/13.1.6 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
-             "cuda/8.0.44 $CUDA_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
-             "cuda/9.0.103 $CUDA_MODULE_LIST2 $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+             "gcc/6.4.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "ibm/16.1.0 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
+             "cuda/9.0.103 $CUDA_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
   )
 
   if [ -z "$ARCH_FLAG" ]; then
@@ -362,7 +361,7 @@ elif [ "$MACHINE" = "apollo" ]; then
                "gcc/5.3.0 $BASE_MODULE_LIST "Serial" g++ $GCC_WARNING_FLAGS"
                "intel/16.0.1 $BASE_MODULE_LIST "OpenMP" icpc $INTEL_WARNING_FLAGS"
                "clang/3.9.0 $BASE_MODULE_LIST "Pthread_Serial" clang++ $CLANG_WARNING_FLAGS"
-               "clang/6.0 $CLANG_MODULE_LIST "Cuda_Pthread" clang++ $CUDA_WARNING_FLAGS"
+               "clang/6.0 $CLANG_MODULE_LIST "Cuda_Pthread,OpenMP" clang++ $CUDA_WARNING_FLAGS"
                "cuda/9.1 $CUDA_MODULE_LIST "Cuda_OpenMP" $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
     )
   else
diff --git a/lib/kokkos/containers/src/Kokkos_DualView.hpp b/lib/kokkos/containers/src/Kokkos_DualView.hpp
index 548e96d251..adba0c4158 100644
--- a/lib/kokkos/containers/src/Kokkos_DualView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_DualView.hpp
@@ -96,6 +96,7 @@ template< class DataType ,
           class Arg3Type = void>
 class DualView : public ViewTraits< DataType , Arg1Type , Arg2Type, Arg3Type >
 {
+template< class , class , class , class > friend class DualView ;
 public:
   //! \name Typedefs for device types and various Kokkos::View specializations.
   //@{
@@ -182,8 +183,20 @@ public:
   //! \name Counters to keep track of changes ("modified" flags)
   //@{
 
-  View<unsigned int,LayoutLeft,typename t_host::execution_space> modified_device;
-  View<unsigned int,LayoutLeft,typename t_host::execution_space> modified_host;
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+protected:
+  // modified_flags[0] -> host
+  // modified_flags[1] -> device
+  typedef View<unsigned int[2],LayoutLeft,Kokkos::HostSpace> t_modified_flags;
+  t_modified_flags modified_flags;
+
+public:
+#else
+  typedef View<unsigned int[2],LayoutLeft,typename t_host::execution_space> t_modified_flags;
+  typedef View<unsigned int,LayoutLeft,typename t_host::execution_space> t_modified_flag;
+  t_modified_flags modified_flags;
+  t_modified_flag modified_host,modified_device;
+#endif
 
   //@}
   //! \name Constructors
@@ -194,10 +207,14 @@ public:
   /// Both device and host View objects are constructed using their
   /// default constructors.  The "modified" flags are both initialized
   /// to "unmodified."
-  DualView () :
-    modified_device (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_device")),
-    modified_host (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_host"))
-  {}
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+  DualView () = default;
+#else
+  DualView ():modified_flags (t_modified_flags("DualView::modified_flags")) {
+    modified_host = t_modified_flag(modified_flags,0);
+    modified_device = t_modified_flag(modified_flags,1);
+  }
+#endif
 
   /// \brief Constructor that allocates View objects on both host and device.
   ///
@@ -219,17 +236,24 @@ public:
             const size_t n7 = KOKKOS_IMPL_CTOR_DEFAULT_ARG)
     : d_view (label, n0, n1, n2, n3, n4, n5, n6, n7)
     , h_view (create_mirror_view (d_view)) // without UVM, host View mirrors
-    , modified_device (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_device"))
-    , modified_host (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_host"))
-  {}
+    , modified_flags (t_modified_flags("DualView::modified_flags"))
+  {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    modified_host = t_modified_flag(modified_flags,0);
+    modified_device = t_modified_flag(modified_flags,1);
+#endif
+  }
 
   //! Copy constructor (shallow copy)
   template<class SS, class LS, class DS, class MS>
   DualView (const DualView<SS,LS,DS,MS>& src) :
     d_view (src.d_view),
     h_view (src.h_view),
-    modified_device (src.modified_device),
-    modified_host (src.modified_host)
+    modified_flags (src.modified_flags)
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    , modified_host(src.modified_host)
+    , modified_device(src.modified_device)
+#endif
   {}
 
   //! Subview constructor
@@ -241,8 +265,11 @@ public:
           )
     : d_view( Kokkos::subview( src.d_view , arg0 , args ... ) )
     , h_view( Kokkos::subview( src.h_view , arg0 , args ... ) )
-    , modified_device (src.modified_device)
-    , modified_host (src.modified_host)
+    , modified_flags (src.modified_flags)
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    , modified_host(src.modified_host)
+    , modified_device(src.modified_device)
+#endif
     {}
 
   /// \brief Create DualView from existing device and host View objects.
@@ -258,8 +285,7 @@ public:
   DualView (const t_dev& d_view_, const t_host& h_view_) :
     d_view (d_view_),
     h_view (h_view_),
-    modified_device (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_device")),
-    modified_host (View<unsigned int,LayoutLeft,typename t_host::execution_space> ("DualView::modified_host"))
+    modified_flags (t_modified_flags("DualView::modified_flags"))
   {
     if ( int(d_view.rank)     != int(h_view.rank) ||
          d_view.extent(0) != h_view.extent(0) ||
@@ -281,6 +307,10 @@ public:
          d_view.span()        != h_view.span() ) {
       Kokkos::Impl::throw_runtime_exception("DualView constructed with incompatible views");
     }
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    modified_host = t_modified_flag(modified_flags,0);
+    modified_device = t_modified_flag(modified_flags,1);
+#endif
   }
 
   //@}
@@ -316,6 +346,30 @@ public:
     t_dev,
     t_host>::type& view () const
   {
+    #ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+    constexpr bool device_is_memspace  = std::is_same<Device,typename Device::memory_space>::value;
+    constexpr bool device_is_execspace = std::is_same<Device,typename Device::execution_space>::value;
+    constexpr bool device_exec_is_t_dev_exec  = std::is_same<typename Device::execution_space,typename t_dev::execution_space>::value;
+    constexpr bool device_mem_is_t_dev_mem    = std::is_same<typename Device::memory_space,typename t_dev::memory_space>::value;
+    constexpr bool device_exec_is_t_host_exec  = std::is_same<typename Device::execution_space,typename t_host::execution_space>::value;
+    constexpr bool device_mem_is_t_host_mem    = std::is_same<typename Device::memory_space,typename t_host::memory_space>::value;
+    constexpr bool device_is_t_host_device  = std::is_same<typename Device::execution_space,typename t_host::device_type>::value;
+    constexpr bool device_is_t_dev_device    = std::is_same<typename Device::memory_space,typename t_host::device_type>::value;
+
+    static_assert(
+        device_is_t_dev_device || device_is_t_host_device ||
+        (device_is_memspace  && (device_mem_is_t_dev_mem   || device_mem_is_t_host_mem) ) ||
+        (device_is_execspace && (device_exec_is_t_dev_exec || device_exec_is_t_host_exec) ) ||
+        (
+          (!device_is_execspace && !device_is_memspace) && (
+            (device_mem_is_t_dev_mem   || device_mem_is_t_host_mem)  ||
+            (device_exec_is_t_dev_exec || device_exec_is_t_host_exec)
+          )
+        )
+        ,
+        "Template parameter to .view() must exactly match one of the DualView's device types or one of the execution or memory spaces");
+    #endif
+
     return Impl::if_c<
       std::is_same<
         typename t_dev::memory_space,
@@ -324,6 +378,72 @@ public:
       t_host >::select (d_view , h_view);
   }
 
+  KOKKOS_INLINE_FUNCTION
+  t_host view_host() const {
+    return h_view;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  t_dev view_device() const {
+    return d_view;
+  }
+
+  template<class Device>
+  static int get_device_side() {
+    constexpr bool device_is_memspace  = std::is_same<Device,typename Device::memory_space>::value;
+    constexpr bool device_is_execspace = std::is_same<Device,typename Device::execution_space>::value;
+    constexpr bool device_exec_is_t_dev_exec  = std::is_same<typename Device::execution_space,typename t_dev::execution_space>::value;
+    constexpr bool device_mem_is_t_dev_mem    = std::is_same<typename Device::memory_space,typename t_dev::memory_space>::value;
+    constexpr bool device_exec_is_t_host_exec  = std::is_same<typename Device::execution_space,typename t_host::execution_space>::value;
+    constexpr bool device_mem_is_t_host_mem    = std::is_same<typename Device::memory_space,typename t_host::memory_space>::value;
+    constexpr bool device_is_t_host_device  = std::is_same<typename Device::execution_space,typename t_host::device_type>::value;
+    constexpr bool device_is_t_dev_device    = std::is_same<typename Device::memory_space,typename t_host::device_type>::value;
+
+    #ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+    static_assert(
+        device_is_t_dev_device || device_is_t_host_device ||
+        (device_is_memspace  && (device_mem_is_t_dev_mem   || device_mem_is_t_host_mem) ) ||
+        (device_is_execspace && (device_exec_is_t_dev_exec || device_exec_is_t_host_exec) ) ||
+        (
+          (!device_is_execspace && !device_is_memspace) && (
+            (device_mem_is_t_dev_mem   || device_mem_is_t_host_mem)  ||
+            (device_exec_is_t_dev_exec || device_exec_is_t_host_exec)
+          )
+        )
+        ,
+        "Template parameter to .sync() must exactly match one of the DualView's device types or one of the execution or memory spaces");
+    #endif
+
+    #ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+    int dev = -1;
+    #else
+    int dev = 0;
+    #endif
+    if(device_is_t_dev_device) dev = 1;
+    else if(device_is_t_host_device) dev = 0;
+    else {
+      if(device_is_memspace) {
+        if(device_mem_is_t_dev_mem) dev = 1;
+        if(device_mem_is_t_host_mem) dev = 0;
+        if(device_mem_is_t_host_mem && device_mem_is_t_dev_mem) dev = -1;
+      }
+      if(device_is_execspace) {
+        if(device_exec_is_t_dev_exec) dev = 1;
+        if(device_exec_is_t_host_exec) dev = 0;
+        if(device_exec_is_t_host_exec && device_exec_is_t_dev_exec) dev = -1;
+      }
+      if(!device_is_execspace && !device_is_memspace) {
+        if(device_mem_is_t_dev_mem) dev = 1;
+        if(device_mem_is_t_host_mem) dev = 0;
+        if(device_mem_is_t_host_mem && device_mem_is_t_dev_mem) dev = -1;
+        if(device_exec_is_t_dev_exec) dev = 1;
+        if(device_exec_is_t_host_exec) dev = 0;
+        if(device_exec_is_t_host_exec && device_exec_is_t_dev_exec) dev = -1;
+      }
+    }
+    return dev;
+  }
+
   /// \brief Update data on device or host only if data in the other
   ///   space has been marked as modified.
   ///
@@ -347,23 +467,20 @@ public:
         ( std::is_same< Device , int>::value)
         , int >::type& = 0)
   {
-    const unsigned int dev =
-      Impl::if_c<
-        std::is_same<
-          typename t_dev::memory_space,
-          typename Device::memory_space>::value ,
-        unsigned int,
-        unsigned int>::select (1, 0);
+    if(modified_flags.data()==NULL) return;
 
-    if (dev) { // if Device is the same as DualView's device type
-      if ((modified_host () > 0) && (modified_host () >= modified_device ())) {
+    int dev = get_device_side<Device>();
+
+    if (dev == 1) { // if Device is the same as DualView's device type
+      if ((modified_flags(0) > 0) && (modified_flags(0) >= modified_flags(1))) {
         deep_copy (d_view, h_view);
-        modified_host() = modified_device() = 0;
+        modified_flags(0) = modified_flags(1) = 0;
       }
-    } else { // hopefully Device is the same as DualView's host type
-      if ((modified_device () > 0) && (modified_device () >= modified_host ())) {
+    }
+    if (dev == 0) { // hopefully Device is the same as DualView's host type
+      if ((modified_flags(1) > 0) && (modified_flags(1) >= modified_flags(0))) {
         deep_copy (h_view, d_view);
-        modified_host() = modified_device() = 0;
+        modified_flags(0) = modified_flags(1) = 0;
       }
     }
     if(std::is_same<typename t_host::memory_space,typename t_dev::memory_space>::value) {
@@ -378,46 +495,71 @@ public:
       ( std::is_same< Device , int>::value)
       , int >::type& = 0 )
   {
-    const unsigned int dev =
-      Impl::if_c<
-        std::is_same<
-          typename t_dev::memory_space,
-          typename Device::memory_space>::value,
-        unsigned int,
-        unsigned int>::select (1, 0);
-    if (dev) { // if Device is the same as DualView's device type
-      if ((modified_host () > 0) && (modified_host () >= modified_device ())) {
+    if(modified_flags.data()==NULL) return;
+
+    int dev = get_device_side<Device>();
+
+    if (dev == 1) { // if Device is the same as DualView's device type
+      if ((modified_flags(0) > 0) && (modified_flags(0) >= modified_flags(1))) {
         Impl::throw_runtime_exception("Calling sync on a DualView with a const datatype.");
       }
-    } else { // hopefully Device is the same as DualView's host type
-      if ((modified_device () > 0) && (modified_device () >= modified_host ())) {
+    }
+    if (dev == 0){ // hopefully Device is the same as DualView's host type
+      if ((modified_flags(1) > 0) && (modified_flags(1) >= modified_flags(0))) {
         Impl::throw_runtime_exception("Calling sync on a DualView with a const datatype.");
       }
     }
   }
 
+  void sync_host() {
+    if( ! std::is_same< typename traits::data_type , typename traits::non_const_data_type>::value )
+      Impl::throw_runtime_exception("Calling sync_host on a DualView with a const datatype.");
+    if(modified_flags.data()==NULL) return;
+    if(modified_flags(1) > modified_flags(0)) {
+      deep_copy (h_view, d_view);
+      modified_flags(1) = modified_flags(0) = 0;
+    }
+  }
+
+  void sync_device() {
+    if( ! std::is_same< typename traits::data_type , typename traits::non_const_data_type>::value )
+      Impl::throw_runtime_exception("Calling sync_device on a DualView with a const datatype.");
+    if(modified_flags.data()==NULL) return;
+    if(modified_flags(0) > modified_flags(1)) {
+      deep_copy (d_view, h_view);
+      modified_flags(1) = modified_flags(0) = 0;
+    }
+  }
+
   template<class Device>
   bool need_sync() const
   {
-    const unsigned int dev =
-      Impl::if_c<
-        std::is_same<
-          typename t_dev::memory_space,
-          typename Device::memory_space>::value ,
-        unsigned int,
-        unsigned int>::select (1, 0);
+    if(modified_flags.data()==NULL) return false;
+    int dev = get_device_side<Device>();
 
-    if (dev) { // if Device is the same as DualView's device type
-      if ((modified_host () > 0) && (modified_host () >= modified_device ())) {
+    if (dev == 1) { // if Device is the same as DualView's device type
+      if ((modified_flags(0) > 0) && (modified_flags(0) >= modified_flags(1))) {
         return true;
       }
-    } else { // hopefully Device is the same as DualView's host type
-      if ((modified_device () > 0) && (modified_device () >= modified_host ())) {
+    }
+    if (dev == 0){ // hopefully Device is the same as DualView's host type
+      if ((modified_flags(1) > 0) && (modified_flags(1) >= modified_flags(0))) {
         return true;
       }
     }
     return false;
   }
+
+  inline bool need_sync_host() const {
+    if(modified_flags.data()==NULL) return false;
+    return modified_flags(0)<modified_flags(1);
+  }
+
+  inline bool need_sync_device() const {
+    if(modified_flags.data()==NULL) return false;
+    return modified_flags(1)<modified_flags(0);
+  }
+
   /// \brief Mark data as modified on the given device \c Device.
   ///
   /// If \c Device is the same as this DualView's device type, then
@@ -425,26 +567,22 @@ public:
   /// data as modified.
   template<class Device>
   void modify () {
-    const unsigned int dev =
-      Impl::if_c<
-        std::is_same<
-          typename t_dev::memory_space,
-          typename Device::memory_space>::value,
-        unsigned int,
-        unsigned int>::select (1, 0);
+    if(modified_flags.data()==NULL) return;
+    int dev = get_device_side<Device>();
 
-    if (dev) { // if Device is the same as DualView's device type
+    if (dev == 1) { // if Device is the same as DualView's device type
       // Increment the device's modified count.
-      modified_device () = (modified_device () > modified_host () ?
-                            modified_device () : modified_host ()) + 1;
-    } else { // hopefully Device is the same as DualView's host type
+      modified_flags(1) = (modified_flags(1) > modified_flags(0) ?
+                            modified_flags(1) : modified_flags(0)) + 1;
+    }
+    if (dev == 0) { // hopefully Device is the same as DualView's host type
       // Increment the host's modified count.
-      modified_host () = (modified_device () > modified_host () ?
-                          modified_device () : modified_host ())  + 1;
+      modified_flags(0) = (modified_flags(1) > modified_flags(0) ?
+                          modified_flags(1) : modified_flags(0))  + 1;
     }
 
 #ifdef KOKKOS_ENABLE_DEBUG_DUALVIEW_MODIFY_CHECK
-    if (modified_host() && modified_device()) {
+    if (modified_flags(0) && modified_flags(1)) {
       std::string msg = "Kokkos::DualView::modify ERROR: ";
       msg += "Concurrent modification of host and device views ";
       msg += "in DualView \"";
@@ -455,6 +593,45 @@ public:
 #endif
   }
 
+  inline void modify_host() {
+    if(modified_flags.data()!=NULL) {
+      modified_flags(0) = (modified_flags(1) > modified_flags(0) ?
+          modified_flags(1) : modified_flags(0))  + 1;
+      #ifdef KOKKOS_ENABLE_DEBUG_DUALVIEW_MODIFY_CHECK
+      if (modified_flags(0) && modified_flags(1)) {
+        std::string msg = "Kokkos::DualView::modify_host ERROR: ";
+        msg += "Concurrent modification of host and device views ";
+        msg += "in DualView \"";
+        msg += d_view.label();
+        msg += "\"\n";
+        Kokkos::abort(msg.c_str());
+      }
+    #endif
+    }
+  }
+
+  inline void modify_device() {
+    if(modified_flags.data()!=NULL) {
+      modified_flags(1) = (modified_flags(1) > modified_flags(0) ?
+          modified_flags(1) : modified_flags(0))  + 1;
+      #ifdef KOKKOS_ENABLE_DEBUG_DUALVIEW_MODIFY_CHECK
+      if (modified_flags(0) && modified_flags(1)) {
+        std::string msg = "Kokkos::DualView::modify_device ERROR: ";
+        msg += "Concurrent modification of host and device views ";
+        msg += "in DualView \"";
+        msg += d_view.label();
+        msg += "\"\n";
+        Kokkos::abort(msg.c_str());
+      }
+      #endif
+    }
+  }
+
+  inline void clear_sync_state() {
+    if(modified_flags.data()!=NULL) 
+      modified_flags(1) = modified_flags(0) = 0;
+  }
+
   //@}
   //! \name Methods for reallocating or resizing the View objects.
   //@{
@@ -476,7 +653,10 @@ public:
      h_view = create_mirror_view( d_view );
 
      /* Reset dirty flags */
-     modified_device() = modified_host() = 0;
+     if(modified_flags.data()==NULL) {
+       modified_flags = t_modified_flags("DualView::modified_flags");
+     } else
+       modified_flags(1) = modified_flags(0) = 0;
   }
 
   /// \brief Resize both views, copying old contents into new if necessary.
@@ -491,13 +671,16 @@ public:
            const size_t n5 = KOKKOS_IMPL_CTOR_DEFAULT_ARG ,
            const size_t n6 = KOKKOS_IMPL_CTOR_DEFAULT_ARG ,
            const size_t n7 = KOKKOS_IMPL_CTOR_DEFAULT_ARG ) {
-   if(modified_device() >= modified_host()) {
+   if(modified_flags.data()==NULL) {
+     modified_flags = t_modified_flags("DualView::modified_flags");
+   }
+   if(modified_flags(1) >= modified_flags(0)) {
      /* Resize on Device */
      ::Kokkos::resize(d_view,n0,n1,n2,n3,n4,n5,n6,n7);
      h_view = create_mirror_view( d_view );
 
      /* Mark Device copy as modified */
-     modified_device() = modified_device()+1;
+     modified_flags(1) = modified_flags(1)+1;
 
    } else {
      /* Realloc on Device */
@@ -525,7 +708,7 @@ public:
      d_view = create_mirror_view( typename t_dev::execution_space(), h_view );
 
      /* Mark Host copy as modified */
-     modified_host() = modified_host()+1;
+     modified_flags(0) = modified_flags(0)+1;
    }
   }
 
@@ -649,7 +832,10 @@ void
 deep_copy (DualView<DT,DL,DD,DM> dst, // trust me, this must not be a reference
            const DualView<ST,SL,SD,SM>& src )
 {
-  if (src.modified_device () >= src.modified_host ()) {
+  if(src.modified_flags.data()==NULL || dst.modified_flags.data()==NULL) {
+    return deep_copy(dst.d_view, src.d_view);
+  }
+  if (src.modified_flags(1) >= src.modified_flags(0)) {
     deep_copy (dst.d_view, src.d_view);
     dst.template modify<typename DualView<DT,DL,DD,DM>::device_type> ();
   } else {
@@ -666,7 +852,10 @@ deep_copy (const ExecutionSpace& exec ,
            DualView<DT,DL,DD,DM> dst, // trust me, this must not be a reference
            const DualView<ST,SL,SD,SM>& src )
 {
-  if (src.modified_device () >= src.modified_host ()) {
+  if(src.modified_flags.data()==NULL || dst.modified_flags.data()==NULL) {
+    return deep_copy(exec, dst.d_view, src.d_view);
+  }
+  if (src.modified_flags(1) >= src.modified_flags(0)) {
     deep_copy (exec, dst.d_view, src.d_view);
     dst.template modify<typename DualView<DT,DL,DD,DM>::device_type> ();
   } else {
diff --git a/lib/kokkos/containers/src/Kokkos_DynRankView.hpp b/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
index b30009a999..8be2c49a31 100644
--- a/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
+++ b/lib/kokkos/containers/src/Kokkos_DynRankView.hpp
@@ -64,7 +64,7 @@ namespace Impl {
 template <typename Specialize>
 struct DynRankDimTraits {
 
-  enum : size_t{unspecified =KOKKOS_INVALID_INDEX};
+  enum : size_t{unspecified = KOKKOS_INVALID_INDEX};
 
   // Compute the rank of the view from the nonzero dimension arguments.
   KOKKOS_INLINE_FUNCTION
@@ -384,8 +384,8 @@ public:
     // Removed dimension checks...
 
       typedef typename DstType::offset_type  dst_offset_type ;
-      dst.m_map.m_offset = dst_offset_type(std::integral_constant<unsigned,0>() , src.layout() ); //Check this for integer input1 for padding, etc
-      dst.m_map.m_handle = Kokkos::Impl::ViewDataHandle< DstTraits >::assign( src.m_map.m_handle , src.m_track );
+      dst.m_map.m_impl_offset = dst_offset_type(std::integral_constant<unsigned,0>() , src.layout() ); //Check this for integer input1 for padding, etc
+      dst.m_map.m_impl_handle = Kokkos::Impl::ViewDataHandle< DstTraits >::assign( src.m_map.m_impl_handle , src.m_track );
       dst.m_track.assign( src.m_track , DstTraits::is_managed );
       dst.m_rank = src.Rank ;
     }
@@ -565,10 +565,14 @@ public:
 
   //----------------------------------------
   // Allow specializations to query their specialized map
-
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   KOKKOS_INLINE_FUNCTION
   const Kokkos::Impl::ViewMapping< traits , void > &
   implementation_map() const { return m_map ; }
+#endif
+  KOKKOS_INLINE_FUNCTION
+  const Kokkos::Impl::ViewMapping< traits , void > &
+  impl_map() const { return m_map ; }
 
   //----------------------------------------
 
@@ -624,7 +628,7 @@ public:
   reference_type operator()() const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (0 , this->rank(), m_track, m_map) )
-      return implementation_map().reference();
+      return impl_map().reference();
       //return m_map.reference(0,0,0,0,0,0,0);
     }
 
@@ -647,7 +651,7 @@ public:
   typename std::enable_if< !std::is_same<typename drvtraits::value_type, typename drvtraits::scalar_array_type>::value && std::is_integral<iType>::value, reference_type>::type
   operator[](const iType & i0) const
     {
-//      auto map = implementation_map();
+//      auto map = impl_map();
       const size_t dim_scalar = m_map.dimension_scalar();
       const size_t bytes = this->span() / dim_scalar;
 
@@ -785,7 +789,7 @@ public:
   reference_type access() const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (0 , this->rank(), m_track, m_map) )
-      return implementation_map().reference();
+      return impl_map().reference();
       //return m_map.reference(0,0,0,0,0,0,0);
     }
 
@@ -1004,7 +1008,7 @@ public:
 
   //----------------------------------------
   // Allocation according to allocation properties and array layout
-  // unused arg_layout dimensions must be set toKOKKOS_INVALID_INDEX so that rank deduction can properly take place
+  // unused arg_layout dimensions must be set to KOKKOS_INVALID_INDEX so that rank deduction can properly take place
   template< class ... P >
   explicit inline
   DynRankView( const Kokkos::Impl::ViewCtorProp< P ... > & arg_prop
@@ -1179,7 +1183,7 @@ public:
     : DynRankView( Kokkos::Impl::ViewCtorProp< std::string >( arg_label )
     , typename traits::array_layout
           ( arg_N0 , arg_N1 , arg_N2 , arg_N3 , arg_N4 , arg_N5 , arg_N6 , arg_N7 )
-          )
+      )
     {}
 
   // For backward compatibility
@@ -1189,8 +1193,7 @@ public:
       , const typename traits::array_layout & arg_layout
       )
     : DynRankView( Kokkos::Impl::ViewCtorProp< std::string , Kokkos::Impl::WithoutInitializing_t >( arg_prop.label , Kokkos::WithoutInitializing )
-
-          , Impl::DynRankDimTraits<typename traits::specialize>::createLayout(arg_layout)
+                 , arg_layout
       )
     {}
 
@@ -1205,7 +1208,9 @@ public:
       , const size_t arg_N6 =KOKKOS_INVALID_INDEX
       , const size_t arg_N7 =KOKKOS_INVALID_INDEX
       )
-    : DynRankView(Kokkos::Impl::ViewCtorProp< std::string , Kokkos::Impl::WithoutInitializing_t >( arg_prop.label , Kokkos::WithoutInitializing ), arg_N0, arg_N1, arg_N2, arg_N3, arg_N4, arg_N5, arg_N6, arg_N7 )
+    : DynRankView(Kokkos::Impl::ViewCtorProp< std::string , Kokkos::Impl::WithoutInitializing_t >( arg_prop.label , Kokkos::WithoutInitializing )
+      , typename traits::array_layout(arg_N0, arg_N1, arg_N2, arg_N3, arg_N4, arg_N5, arg_N6, arg_N7)
+      )
     {}
 
   //----------------------------------------
@@ -1445,30 +1450,30 @@ public:
       ret_type dst ;
 
       const SubviewExtents< 7 , rank > extents =
-        ExtentGenerator< Args ... >::generator( src.m_map.m_offset.m_dim , args... ) ;
+        ExtentGenerator< Args ... >::generator( src.m_map.m_impl_offset.m_dim , args... ) ;
 
-      dst_offset_type tempdst( src.m_map.m_offset , extents ) ;
+      dst_offset_type tempdst( src.m_map.m_impl_offset , extents ) ;
 
       dst.m_track = src.m_track ;
 
-      dst.m_map.m_offset.m_dim.N0 = tempdst.m_dim.N0 ;
-      dst.m_map.m_offset.m_dim.N1 = tempdst.m_dim.N1 ;
-      dst.m_map.m_offset.m_dim.N2 = tempdst.m_dim.N2 ;
-      dst.m_map.m_offset.m_dim.N3 = tempdst.m_dim.N3 ;
-      dst.m_map.m_offset.m_dim.N4 = tempdst.m_dim.N4 ;
-      dst.m_map.m_offset.m_dim.N5 = tempdst.m_dim.N5 ;
-      dst.m_map.m_offset.m_dim.N6 = tempdst.m_dim.N6 ;
+      dst.m_map.m_impl_offset.m_dim.N0 = tempdst.m_dim.N0 ;
+      dst.m_map.m_impl_offset.m_dim.N1 = tempdst.m_dim.N1 ;
+      dst.m_map.m_impl_offset.m_dim.N2 = tempdst.m_dim.N2 ;
+      dst.m_map.m_impl_offset.m_dim.N3 = tempdst.m_dim.N3 ;
+      dst.m_map.m_impl_offset.m_dim.N4 = tempdst.m_dim.N4 ;
+      dst.m_map.m_impl_offset.m_dim.N5 = tempdst.m_dim.N5 ;
+      dst.m_map.m_impl_offset.m_dim.N6 = tempdst.m_dim.N6 ;
 
-      dst.m_map.m_offset.m_stride.S0 = tempdst.m_stride.S0 ;
-      dst.m_map.m_offset.m_stride.S1 = tempdst.m_stride.S1 ;
-      dst.m_map.m_offset.m_stride.S2 = tempdst.m_stride.S2 ;
-      dst.m_map.m_offset.m_stride.S3 = tempdst.m_stride.S3 ;
-      dst.m_map.m_offset.m_stride.S4 = tempdst.m_stride.S4 ;
-      dst.m_map.m_offset.m_stride.S5 = tempdst.m_stride.S5 ;
-      dst.m_map.m_offset.m_stride.S6 = tempdst.m_stride.S6 ;
+      dst.m_map.m_impl_offset.m_stride.S0 = tempdst.m_stride.S0 ;
+      dst.m_map.m_impl_offset.m_stride.S1 = tempdst.m_stride.S1 ;
+      dst.m_map.m_impl_offset.m_stride.S2 = tempdst.m_stride.S2 ;
+      dst.m_map.m_impl_offset.m_stride.S3 = tempdst.m_stride.S3 ;
+      dst.m_map.m_impl_offset.m_stride.S4 = tempdst.m_stride.S4 ;
+      dst.m_map.m_impl_offset.m_stride.S5 = tempdst.m_stride.S5 ;
+      dst.m_map.m_impl_offset.m_stride.S6 = tempdst.m_stride.S6 ;
 
-      dst.m_map.m_handle = dst_handle_type( src.m_map.m_handle +
-                                      src.m_map.m_offset( extents.domain_offset(0)
+      dst.m_map.m_impl_handle = dst_handle_type( src.m_map.m_impl_handle +
+                                      src.m_map.m_impl_offset( extents.domain_offset(0)
                                                   , extents.domain_offset(1)
                                                   , extents.domain_offset(2)
                                                   , extents.domain_offset(3)
@@ -1896,6 +1901,7 @@ inline
 typename DynRankView<T,P...>::HostMirror
 create_mirror( const DynRankView<T,P...> & src
              , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value &&
                  ! std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
                                , Kokkos::LayoutStride >::value
                >::type * = 0
@@ -1914,6 +1920,7 @@ inline
 typename DynRankView<T,P...>::HostMirror
 create_mirror( const DynRankView<T,P...> & src
              , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value &&
                  std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
                              , Kokkos::LayoutStride >::value
                >::type * = 0
@@ -1929,7 +1936,11 @@ create_mirror( const DynRankView<T,P...> & src
 
 // Create a mirror in a new space (specialization for different space)
 template<class Space, class T, class ... P>
-typename Impl::MirrorDRVType<Space,T,P ...>::view_type create_mirror(const Space& , const Kokkos::DynRankView<T,P...> & src) {
+typename Impl::MirrorDRVType<Space,T,P ...>::view_type
+create_mirror(const Space& , const Kokkos::DynRankView<T,P...> & src
+             , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value
+               >::type * = 0) {
   return typename Impl::MirrorDRVType<Space,T,P ...>::view_type(src.label(), Impl::reconstructLayout(src.layout(), src.rank()) );
 }
 
@@ -1985,6 +1996,29 @@ create_mirror_view(const Space& , const Kokkos::DynRankView<T,P...> & src
   return typename Impl::MirrorDRViewType<Space,T,P ...>::view_type(src.label(), Impl::reconstructLayout(src.layout(), src.rank()) );
 }
 
+// Create a mirror view and deep_copy in a new space (specialization for same space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorDRViewType<Space,T,P ...>::view_type
+create_mirror_view_and_copy(const Space& , const Kokkos::DynRankView<T,P...> & src
+  , std::string const& name = ""
+  , typename std::enable_if<Impl::MirrorDRViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  (void)name;
+  return src;
+}
+
+// Create a mirror view and deep_copy in a new space (specialization for different space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorDRViewType<Space,T,P ...>::view_type
+create_mirror_view_and_copy(const Space& , const Kokkos::DynRankView<T,P...> & src
+  , std::string const& name = ""
+  , typename std::enable_if<!Impl::MirrorDRViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  using Mirror = typename Impl::MirrorDRViewType<Space,T,P ...>::view_type;
+  std::string label = name.empty() ? src.label() : name;
+  auto mirror = Mirror( Kokkos::ViewAllocateWithoutInitializing(label), Impl::reconstructLayout(src.layout(), src.rank()) );
+  deep_copy(mirror, src);
+  return mirror;
+}
+
 } //end Kokkos
 
 
diff --git a/lib/kokkos/containers/src/Kokkos_OffsetView.hpp b/lib/kokkos/containers/src/Kokkos_OffsetView.hpp
new file mode 100644
index 0000000000..b614764ee7
--- /dev/null
+++ b/lib/kokkos/containers/src/Kokkos_OffsetView.hpp
@@ -0,0 +1,1895 @@
+/*
+ * Kokkos_OffsetView.hpp
+ *
+ *  Created on: Apr 23, 2018
+ *      Author: swbova
+ */
+
+#ifndef KOKKOS_OFFSETVIEW_HPP_
+#define KOKKOS_OFFSETVIEW_HPP_
+
+
+#include <Kokkos_Core.hpp>
+
+#include <Kokkos_View.hpp>
+
+namespace Kokkos {
+
+   namespace Experimental {
+      //----------------------------------------------------------------------------
+      //----------------------------------------------------------------------------
+
+      template< class DataType , class ... Properties >
+      class OffsetView ;
+
+      template< class > struct is_offset_view : public std::false_type {};
+
+      template< class D, class ... P >
+      struct is_offset_view< OffsetView<D,P...> > : public std::true_type {};
+
+      template< class D, class ... P >
+      struct is_offset_view< const OffsetView<D,P...> > : public std::true_type {};
+
+#define KOKKOS_INVALID_OFFSET int64_t(0)
+#define KOKKOS_INVALID_INDEX_RANGE {KOKKOS_INVALID_OFFSET, KOKKOS_INVALID_OFFSET}
+
+      template <typename iType, typename std::enable_if< std::is_integral<iType>::value &&
+      std::is_signed<iType>::value, iType >::type = 0>
+      using IndexRange  = Kokkos::Array<iType, 2>;
+
+
+      using index_list_type = std::initializer_list<int64_t>;
+
+
+      //  template <typename iType,
+      //    typename std::enable_if< std::is_integral<iType>::value &&
+      //      std::is_signed<iType>::value, iType >::type = 0> using min_index_type = std::initializer_list<iType>;
+
+      namespace Impl {
+
+         template<class ViewType>
+         struct GetOffsetViewTypeFromViewType {
+
+            typedef OffsetView<typename ViewType::data_type,typename ViewType::array_layout,
+                  typename ViewType::device_type,typename ViewType::memory_traits> type;
+
+         };
+
+         template< unsigned , class MapType, class BeginsType >
+         KOKKOS_INLINE_FUNCTION
+         bool offsetview_verify_operator_bounds( const MapType &, const BeginsType & )
+         { return true ; }
+
+         template< unsigned R , class MapType , class BeginsType, class iType , class ... Args >
+         KOKKOS_INLINE_FUNCTION
+         bool offsetview_verify_operator_bounds
+         ( const MapType & map
+           , const BeginsType & begins
+           , const iType   & i
+           , Args ... args
+         )
+         {
+
+           const bool legalIndex =  ( int64_t(i) >=  begins[R]  ) &&
+               ( int64_t(i) <= int64_t(begins[R] + map.extent(R) - 1) );
+           return  legalIndex
+               && offsetview_verify_operator_bounds<R+1>( map , begins,  args ... );
+         }
+         template< unsigned , class MapType, class BeginsType >
+         inline
+         void offsetview_error_operator_bounds( char * , int , const MapType & , const BeginsType &)
+         {}
+
+         template< unsigned R , class MapType , class BeginsType , class iType , class ... Args >
+         inline
+         void offsetview_error_operator_bounds
+           ( char * buf
+           , int len
+           , const MapType & map
+           , const  BeginsType begins
+           , const iType   & i
+           , Args ... args
+           )
+         {
+           const int64_t b = begins[R];
+           const int64_t e = b + map.extent(R) - 1;
+           const int n =
+             snprintf(buf,len," %ld <= %ld <= %ld %c"
+                     , static_cast<unsigned long>(b)
+                     , static_cast<unsigned long>(i)
+                     , static_cast<unsigned long>(e)
+                     , ( sizeof...(Args) ? ',' : ')' )
+                     );
+           offsetview_error_operator_bounds<R+1>(buf+n,len-n,map,begins,args...);
+         }
+
+         template< class MemorySpace , class MapType , class BeginsType, class ... Args >
+         KOKKOS_INLINE_FUNCTION
+         void offsetview_verify_operator_bounds
+           ( Kokkos::Impl::SharedAllocationTracker const & tracker
+           , const MapType & map , const BeginsType & begins, Args ... args )
+         {
+           if ( ! offsetview_verify_operator_bounds<0>( map , begins, args ... ) ) {
+#if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
+              enum { LEN = 1024 };
+              char buffer[ LEN ];
+              const std::string label = tracker.template get_label<MemorySpace>();
+              int n = snprintf(buffer,LEN,"OffsetView bounds error of view labeled %s (",label.c_str());
+              offsetview_error_operator_bounds<0>( buffer + n , LEN - n , map ,begins, args ... );
+              Kokkos::Impl::throw_runtime_exception(std::string(buffer));
+#else
+              /* Check #1: is there a SharedAllocationRecord?
+                (we won't use it, but if its not there then there isn't
+                 a corresponding SharedAllocationHeader containing a label).
+                This check should cover the case of Views that don't
+                have the Unmanaged trait but were initialized by pointer. */
+              if (tracker.has_record()) {
+		Kokkos::Impl::operator_bounds_error_on_device<MapType>(
+			      map, Kokkos::Impl::has_printable_label_typedef<MapType>());
+              } else {
+                 Kokkos::abort("OffsetView bounds error");
+              }
+#endif
+           }
+         }
+
+#ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
+         KOKKOS_INLINE_FUNCTION
+         void runtime_check_rank_host(const size_t rank_dynamic, const size_t rank,
+               const index_list_type minIndices, const std::string & label)
+         {
+            bool isBad = false;
+            std::string message = "Kokkos::Experimental::OffsetView ERROR: for OffsetView labeled '" + label + "':";
+            if (rank_dynamic != rank) {
+               message += "The full rank must be the same as the dynamic rank. full rank = ";
+               message += std::to_string(rank) + " dynamic rank = " + std::to_string(rank_dynamic) + "\n";
+               isBad = true;
+            }
+
+            size_t numOffsets = 0;
+            for(size_t i = 0; i < minIndices.size(); ++i ){
+               if( minIndices.begin()[i] != -KOKKOS_INVALID_OFFSET) numOffsets++;
+            }
+            if (numOffsets != rank_dynamic) {
+               message += "The number of offsets provided ( " + std::to_string(numOffsets) +
+                     " ) must equal the dynamic rank ( " + std::to_string(rank_dynamic) + " ).";
+               isBad = true;
+            }
+
+            if(isBad) Kokkos::abort(message.c_str());
+         }
+#endif
+
+         KOKKOS_INLINE_FUNCTION
+         void runtime_check_rank_device(const size_t rank_dynamic, const size_t rank,
+               const index_list_type minIndices)
+         {
+            if (rank_dynamic != rank) {
+               Kokkos::abort("The full rank of an OffsetView must be the same as the dynamic rank.");
+            }
+            size_t numOffsets = 0;
+            for(size_t i = 0; i < minIndices.size(); ++i ){
+               if( minIndices.begin()[i] != -KOKKOS_INVALID_OFFSET) numOffsets++;
+            }
+            if (numOffsets != rank) {
+               Kokkos::abort("The number of offsets provided to an OffsetView constructor must equal the dynamic rank.");
+            }
+
+         }
+      }
+
+      template< class DataType , class ... Properties >
+      class OffsetView : public ViewTraits< DataType , Properties ... > {
+      public:
+
+         typedef ViewTraits< DataType , Properties ... > traits ;
+
+
+
+      private:
+
+         template< class , class ... > friend class OffsetView ;
+         template< class , class ... > friend class View ;  //FIXME delete this line
+         template< class , class ... > friend class Kokkos::Impl::ViewMapping ;
+
+
+         typedef Kokkos::Impl::ViewMapping< traits , void > map_type ;
+         typedef Kokkos::Impl::SharedAllocationTracker      track_type ;
+      public:
+         enum { Rank = map_type::Rank };
+         typedef Kokkos::Array<int64_t, Rank>  begins_type ;
+
+
+         template <typename iType, typename std::enable_if< std::is_integral<iType>::value, iType>::type = 0>
+         KOKKOS_INLINE_FUNCTION
+         int64_t begin(const iType dimension) const {
+            return dimension < Rank ? m_begins[dimension] : 0;
+         }
+
+         KOKKOS_INLINE_FUNCTION
+         begins_type begins() const { return m_begins;}
+
+         template <typename iType, typename std::enable_if< std::is_integral<iType>::value, iType>::type = 0>
+         KOKKOS_INLINE_FUNCTION
+         int64_t end(const iType dimension) const {return begin(dimension) + m_map.extent(dimension);}
+
+
+      private:
+         track_type  m_track ;
+         map_type    m_map ;
+         begins_type  m_begins;
+
+      public:
+         //----------------------------------------
+         /** \brief  Compatible view of array of scalar types */
+         typedef OffsetView< typename traits::scalar_array_type ,
+               typename traits::array_layout ,
+               typename traits::device_type ,
+               typename traits::memory_traits >
+         array_type ;
+
+         /** \brief  Compatible view of const data type */
+         typedef OffsetView< typename traits::const_data_type ,
+               typename traits::array_layout ,
+               typename traits::device_type ,
+               typename traits::memory_traits >
+         const_type ;
+
+         /** \brief  Compatible view of non-const data type */
+         typedef OffsetView< typename traits::non_const_data_type ,
+               typename traits::array_layout ,
+               typename traits::device_type ,
+               typename traits::memory_traits >
+         non_const_type ;
+
+         /** \brief  Compatible HostMirror view */
+         typedef OffsetView< typename traits::non_const_data_type ,
+               typename traits::array_layout ,
+               typename traits::host_mirror_space >
+         HostMirror ;
+
+         //----------------------------------------
+         // Domain rank and extents
+
+         /** \brief rank() to be implemented
+          */
+         //KOKKOS_INLINE_FUNCTION
+         //static
+         //constexpr unsigned rank() { return map_type::Rank; }
+
+         template< typename iType >
+         KOKKOS_INLINE_FUNCTION constexpr
+         typename std::enable_if< std::is_integral<iType>::value , size_t >::type
+         extent( const iType & r ) const
+         { return m_map.extent(r); }
+
+         template< typename iType >
+         KOKKOS_INLINE_FUNCTION constexpr
+         typename std::enable_if< std::is_integral<iType>::value , int >::type
+         extent_int( const iType & r ) const
+         { return static_cast<int>(m_map.extent(r)); }
+
+         KOKKOS_INLINE_FUNCTION constexpr
+         typename traits::array_layout layout() const
+         { return m_map.layout(); }
+
+
+         KOKKOS_INLINE_FUNCTION constexpr size_t size() const { return m_map.dimension_0() *
+               m_map.dimension_1() *
+               m_map.dimension_2() *
+               m_map.dimension_3() *
+               m_map.dimension_4() *
+               m_map.dimension_5() *
+               m_map.dimension_6() *
+               m_map.dimension_7(); }
+
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_0() const { return m_map.stride_0(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_1() const { return m_map.stride_1(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_2() const { return m_map.stride_2(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_3() const { return m_map.stride_3(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_4() const { return m_map.stride_4(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_5() const { return m_map.stride_5(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_6() const { return m_map.stride_6(); }
+         KOKKOS_INLINE_FUNCTION constexpr size_t stride_7() const { return m_map.stride_7(); }
+
+         template< typename iType >
+         KOKKOS_INLINE_FUNCTION constexpr
+         typename std::enable_if< std::is_integral<iType>::value , size_t >::type
+         stride(iType r) const {
+            return (r == 0 ? m_map.stride_0() :
+                  (r == 1 ? m_map.stride_1() :
+                        (r == 2 ? m_map.stride_2() :
+                              (r == 3 ? m_map.stride_3() :
+                                    (r == 4 ? m_map.stride_4() :
+                                          (r == 5 ? m_map.stride_5() :
+                                                (r == 6 ? m_map.stride_6() :
+                                                      m_map.stride_7())))))));
+         }
+
+         template< typename iType >
+         KOKKOS_INLINE_FUNCTION void stride( iType * const s ) const { m_map.stride(s); }
+
+         //----------------------------------------
+         // Range span is the span which contains all members.
+
+         typedef typename map_type::reference_type  reference_type ;
+         typedef typename map_type::pointer_type    pointer_type ;
+
+         enum { reference_type_is_lvalue_reference = std::is_lvalue_reference< reference_type >::value };
+
+         KOKKOS_INLINE_FUNCTION constexpr size_t span() const { return m_map.span(); }
+         KOKKOS_INLINE_FUNCTION bool span_is_contiguous() const { return m_map.span_is_contiguous(); }
+         KOKKOS_INLINE_FUNCTION constexpr pointer_type data() const { return m_map.data(); }
+
+         //----------------------------------------
+         // Allow specializations to query their specialized map
+
+         KOKKOS_INLINE_FUNCTION
+         const Kokkos::Impl::ViewMapping< traits , void > &
+         implementation_map() const { return m_map ; }
+
+         //----------------------------------------
+
+      private:
+
+         enum {
+            is_layout_left = std::is_same< typename traits::array_layout
+            , Kokkos::LayoutLeft >::value ,
+
+            is_layout_right = std::is_same< typename traits::array_layout
+            , Kokkos::LayoutRight >::value ,
+
+            is_layout_stride = std::is_same< typename traits::array_layout
+            , Kokkos::LayoutStride >::value ,
+
+            is_default_map =
+                  std::is_same< typename traits::specialize , void >::value &&
+                  ( is_layout_left || is_layout_right || is_layout_stride )
+         };
+
+         template< class Space , bool = Kokkos::Impl::MemorySpaceAccess< Space , typename traits::memory_space >::accessible > struct verify_space
+               { KOKKOS_FORCEINLINE_FUNCTION static void check() {} };
+
+         template< class Space > struct verify_space<Space,false>
+         { KOKKOS_FORCEINLINE_FUNCTION static void check()
+         { Kokkos::abort("Kokkos::View ERROR: attempt to access inaccessible memory space");
+         };
+         };
+
+#if defined( KOKKOS_ENABLE_DEBUG_BOUNDS_CHECK )
+
+#define KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( ARG ) \
+      OffsetView::template verify_space< Kokkos::Impl::ActiveExecutionMemorySpace >::check(); \
+      Kokkos::Experimental::Impl::offsetview_verify_operator_bounds< typename traits::memory_space > ARG ;
+
+#else
+
+#define KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( ARG ) \
+      OffsetView::template verify_space< Kokkos::Impl::ActiveExecutionMemorySpace >::check();
+
+#endif
+      public:
+
+         //------------------------------
+         // Rank 0 operator()
+
+         KOKKOS_FORCEINLINE_FUNCTION
+         reference_type
+         operator()() const
+         {
+            return m_map.reference();
+         }
+         //------------------------------
+         // Rank 1 operator()
+
+
+         template< typename I0>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0) const
+         {
+
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.reference(j0);
+         }
+
+         template< typename I0>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && is_default_map
+               && ! is_layout_stride
+         ), reference_type >::type
+         operator()( const I0 & i0 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.m_impl_handle[ j0 ];
+         }
+
+         template< typename I0 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && is_default_map
+               && is_layout_stride
+         ), reference_type >::type
+         operator()( const I0 & i0) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * j0 ];
+         }
+         //------------------------------
+         // Rank 1 operator[]
+
+         template< typename I0 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator[]( const I0 & i0 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.reference(j0);
+         }
+
+         template< typename I0 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && is_default_map
+               && ! is_layout_stride
+         ), reference_type >::type
+         operator[]( const I0 & i0 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.m_impl_handle[ j0 ];
+         }
+
+         template< typename I0 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0>::value
+               && ( 1 == Rank )
+               && is_default_map
+               && is_layout_stride
+         ), reference_type >::type
+         operator[]( const I0 & i0 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0) )
+                          const size_t j0 = i0 - m_begins[0];
+            return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * j0 ];
+         }
+
+
+         //------------------------------
+         // Rank 2
+
+         template< typename I0 , typename I1 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.reference(j0,j1);
+         }
+
+         template< typename I0 , typename I1 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && is_default_map
+               && is_layout_left && ( traits::rank_dynamic == 0 )
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.m_impl_handle[ j0 + m_map.m_impl_offset.m_dim.N0 * j1 ];
+         }
+
+         template< typename I0 , typename I1>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && is_default_map
+               && is_layout_left && ( traits::rank_dynamic != 0 )
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.m_impl_handle[ j0 + m_map.m_impl_offset.m_stride * j1 ];
+         }
+
+         template< typename I0 , typename I1 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && is_default_map
+               && is_layout_right && ( traits::rank_dynamic == 0 )
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.m_impl_handle[ j1 + m_map.m_impl_offset.m_dim.N1 * j0 ];
+         }
+
+         template< typename I0 , typename I1 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && is_default_map
+               && is_layout_right && ( traits::rank_dynamic != 0 )
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.m_impl_handle[ j1 + m_map.m_impl_offset.m_stride * j0 ];
+         }
+
+         template< typename I0 , typename I1>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1>::value
+               && ( 2 == Rank )
+               && is_default_map
+               && is_layout_stride
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            return m_map.m_impl_handle[ j0 * m_map.m_impl_offset.m_stride.S0 +
+                                        j1 * m_map.m_impl_offset.m_stride.S1 ];
+         }
+
+         //------------------------------
+         // Rank 3
+
+         template< typename I0 , typename I1 , typename I2 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2>::value
+               && ( 3 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1, i2) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0, j1, j2) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2>::value
+               && ( 3 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            return m_map.reference(j0, j1, j2);
+         }
+
+         //------------------------------
+         // Rank 4
+
+         template< typename I0 , typename I1 , typename I2 , typename I3>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3>::value
+               && ( 4 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1, i2, i3) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0,j1,j2,j3) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2 , typename I3 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3>::value
+               && ( 4 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1, i2, i3) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            return m_map.reference(j0,j1,j2,j3);
+         }
+
+         //------------------------------
+         // Rank 5
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4>::value
+               && ( 5 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1, i2, i3, i4) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0, j1,j2, j3, j4) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4>::value
+               && ( 5 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map, m_begins, i0,i1, i2, i3, i4) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            return m_map.reference(j0,j1,j2,j3,j4);
+         }
+
+         //------------------------------
+         // Rank 6
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5>::value
+               && ( 6 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0,j1,j2,j3,j4,j5) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5>::value
+               && ( 6 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            return m_map.reference(j0,j1,j2,j3,j4,j5);
+         }
+
+         //------------------------------
+         // Rank 7
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5 , typename I6>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6>::value
+               && ( 7 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5 , const I6 & i6) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5, i6) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            const size_t j6 = i6 - m_begins[6];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0,j1,j2,j3,j4,j5,j6) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5 , typename I6 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6>::value
+               && ( 7 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5 , const I6 & i6) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5, i6) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            const size_t j6 = i6 - m_begins[6];
+            return m_map.reference(j0,j1,j2,j3,j4,j5,j6);
+         }
+
+         //------------------------------
+         // Rank 8
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5 , typename I6 , typename I7 >
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7>::value
+               && ( 8 == Rank )
+               && is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5, i6, i7) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            const size_t j6 = i6 - m_begins[6];
+            const size_t j7 = i7 - m_begins[7];
+            return m_map.m_impl_handle[ m_map.m_impl_offset(j0,j1,j2,j3,j4,j5,j6,j7) ];
+         }
+
+         template< typename I0 , typename I1 , typename I2 , typename I3
+         , typename I4 , typename I5 , typename I6 , typename I7>
+         KOKKOS_FORCEINLINE_FUNCTION
+         typename std::enable_if<
+         ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7>::value
+               && ( 8 == Rank )
+               && ! is_default_map
+         ), reference_type >::type
+         operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+               , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7 ) const
+         {
+            KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY( (m_track,m_map,m_begins, i0,i1, i2, i3, i4, i5, i6, i7) )
+                          const size_t j0 = i0 - m_begins[0];
+            const size_t j1 = i1 - m_begins[1];
+            const size_t j2 = i2 - m_begins[2];
+            const size_t j3 = i3 - m_begins[3];
+            const size_t j4 = i4 - m_begins[4];
+            const size_t j5 = i5 - m_begins[5];
+            const size_t j6 = i6 - m_begins[6];
+            const size_t j7 = i7 - m_begins[7];
+            return m_map.reference(j0,j1,j2,j3,j4,j5,j6,j7);
+         }
+
+
+#undef KOKKOS_IMPL_OFFSETVIEW_OPERATOR_VERIFY
+
+         //----------------------------------------
+         // Standard destructor, constructors, and assignment operators
+
+         KOKKOS_INLINE_FUNCTION
+         ~OffsetView() {}
+
+         KOKKOS_INLINE_FUNCTION
+         OffsetView() : m_track(), m_map() {
+
+            for(size_t i = 0; i < Rank; ++i) m_begins[i] = KOKKOS_INVALID_INDEX;
+         }
+
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( const OffsetView & rhs ) : m_track( rhs.m_track, traits::is_managed ), m_map( rhs.m_map ),
+         m_begins(rhs.m_begins) {}
+
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( OffsetView && rhs ) : m_track( std::move(rhs.m_track) ),
+         m_map( std::move(rhs.m_map)), m_begins(std::move(rhs.m_begins)) {}
+
+         KOKKOS_INLINE_FUNCTION
+         OffsetView & operator = ( const OffsetView & rhs ) {
+            m_track = rhs.m_track ;
+            m_map = rhs.m_map ;
+            m_begins = rhs.m_begins;
+            return *this ;
+         }
+
+         KOKKOS_INLINE_FUNCTION
+         OffsetView & operator = ( OffsetView && rhs ) {
+            m_track = std::move(rhs.m_track) ;
+            m_map = std::move(rhs.m_map) ;
+            m_begins = std::move(rhs.m_begins) ;
+            return *this ;
+         }
+
+         //interoperability with View
+      private:
+         typedef View< typename traits::scalar_array_type ,
+               typename traits::array_layout ,
+               typename traits::device_type ,
+               typename traits::memory_traits > view_type;
+      public:
+
+         KOKKOS_INLINE_FUNCTION
+         view_type view() const {
+
+            view_type v(m_track, m_map);
+            return v ;
+         }
+
+         template<class RT, class ... RP>
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( const View<RT, RP...> & aview) :
+         m_track(aview.impl_track()), m_map(){
+
+            typedef typename OffsetView<RT,RP...>::traits  SrcTraits ;
+            typedef Kokkos::Impl::ViewMapping< traits , SrcTraits , void >  Mapping ;
+            static_assert( Mapping::is_assignable , "Incompatible OffsetView copy construction" );
+            Mapping::assign( m_map , aview.impl_map() , m_track );
+
+            for (int i = 0; i < aview.Rank; ++i) {
+               m_begins[i] = 0;
+            }
+         }
+
+         template<class RT, class ... RP>
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( const View<RT, RP...> & aview
+               ,const index_list_type & minIndices) :
+               m_track(aview.impl_track()), m_map(){
+
+            typedef typename OffsetView<RT,RP...>::traits  SrcTraits ;
+            typedef Kokkos::Impl::ViewMapping< traits , SrcTraits , void >  Mapping ;
+            static_assert( Mapping::is_assignable , "Incompatible OffsetView copy construction" );
+            Mapping::assign( m_map , aview.impl_map() , m_track );
+
+#ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
+            Kokkos::Experimental::Impl::runtime_check_rank_host(traits::rank_dynamic, Rank, minIndices, label());
+#else
+            Kokkos::Experimental::Impl::runtime_check_rank_device(traits::rank_dynamic, Rank, minIndices);
+
+#endif
+
+            for (size_t i = 0; i < minIndices.size(); ++i) {
+               m_begins[i] = minIndices.begin()[i];
+            }
+         }
+         template<class RT, class ... RP>
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( const View<RT, RP...> & aview
+               ,const begins_type & beg) :
+               m_track(aview.impl_track()), m_map(), m_begins(beg){
+
+            typedef typename OffsetView<RT,RP...>::traits  SrcTraits ;
+            typedef Kokkos::Impl::ViewMapping< traits , SrcTraits , void >  Mapping ;
+            static_assert( Mapping::is_assignable , "Incompatible OffsetView copy construction" );
+            Mapping::assign( m_map , aview.impl_map() , m_track );
+
+
+            //#ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
+            //        Kokkos::Experimental::Impl::runtime_check_rank_host(traits::rank_dynamic, Rank, minIndices, label());
+            //#else
+            //        Kokkos::Experimental::Impl::runtime_check_rank_device(traits::rank_dynamic, Rank, minIndices);
+            //
+            //#endif
+
+         }
+
+         // may assign unmanaged from managed.
+
+
+         template< class RT , class ... RP >
+         KOKKOS_INLINE_FUNCTION
+         OffsetView( const OffsetView<RT,RP...> & rhs )
+         : m_track( rhs.m_track , traits::is_managed )
+         , m_map()
+         , m_begins(rhs.m_begins)
+         {
+            typedef typename OffsetView<RT,RP...>::traits  SrcTraits ;
+            typedef Kokkos::Impl::ViewMapping< traits , SrcTraits , void >  Mapping ;
+            static_assert( Mapping::is_assignable , "Incompatible OffsetView copy construction" );
+            Mapping::assign( m_map , rhs.m_map , rhs.m_track );  //swb what about assign?
+         }
+
+
+         //----------------------------------------
+         // Allocation tracking properties
+         KOKKOS_INLINE_FUNCTION
+         int use_count() const
+         { return m_track.use_count(); }
+
+         inline
+         const std::string label() const
+         { return m_track.template get_label< typename traits::memory_space >(); }
+
+
+         template< typename Label>
+         explicit inline
+         OffsetView( const Label & arg_label
+               ,typename std::enable_if<Kokkos::Impl::is_view_label<Label>::value , const index_list_type >::type
+               range0
+               ,const index_list_type range1 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range2 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range3 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range4 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range5 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range6 = KOKKOS_INVALID_INDEX_RANGE
+               ,const index_list_type range7 = KOKKOS_INVALID_INDEX_RANGE
+
+         ) : OffsetView( Kokkos::Impl::ViewCtorProp< std::string >( arg_label ),
+               typename traits::array_layout
+               ( range0.begin()[1] - range0.begin()[0] + 1, range1.begin()[1] - range1.begin()[0] + 1 ,
+                     range2.begin()[1] - range2.begin()[0] + 1, range3.begin()[1] - range3.begin()[0] + 1,
+                     range4.begin()[1] - range4.begin()[0] + 1, range5.begin()[1] - range5.begin()[0] + 1 ,
+                     range6.begin()[1] - range6.begin()[0] + 1, range7.begin()[1] - range7.begin()[0] + 1 ),
+                     {range0.begin()[0], range1.begin()[0], range2.begin()[0], range3.begin()[0], range4.begin()[0],
+                           range5.begin()[0], range6.begin()[0], range7.begin()[0] })
+         {
+
+         }
+
+
+
+         template<class ... P >
+         explicit KOKKOS_INLINE_FUNCTION
+         OffsetView( const Kokkos::Impl::ViewCtorProp< P ... > & arg_prop
+               ,typename std::enable_if< Kokkos::Impl::ViewCtorProp< P... >::has_pointer , typename traits::array_layout >::type const & arg_layout
+               ,const index_list_type minIndices
+         )
+         : m_track() // No memory tracking
+         , m_map( arg_prop , arg_layout )
+         {
+
+
+            for (size_t i = 0; i < minIndices.size(); ++i) {
+               m_begins[i] = minIndices.begin()[i];
+            }
+            static_assert(
+                  std::is_same< pointer_type
+                  , typename Kokkos::Impl::ViewCtorProp< P... >::pointer_type
+                  >::value ,
+                  "When constructing OffsetView to wrap user memory, you must supply matching pointer type" );
+         }
+
+         template<class ... P >
+         explicit inline
+         OffsetView( const Kokkos::Impl::ViewCtorProp< P ... > & arg_prop
+               , typename std::enable_if< ! Kokkos::Impl::ViewCtorProp< P... >::has_pointer , typename traits::array_layout>::type const & arg_layout
+               ,const index_list_type minIndices
+         )
+         : m_track()
+         , m_map()
+
+         {
+
+            for(size_t i = 0; i < Rank; ++i)
+               m_begins[i] = minIndices.begin()[i];
+
+            // Append layout and spaces if not input
+            typedef Kokkos::Impl::ViewCtorProp< P ... > alloc_prop_input ;
+
+            // use 'std::integral_constant<unsigned,I>' for non-types
+            // to avoid duplicate class error.
+            typedef Kokkos::Impl::ViewCtorProp
+                  < P ..., typename std::conditional < alloc_prop_input::has_label
+                  , std::integral_constant<unsigned,0>, typename std::string >::type
+                  , typename std::conditional
+                  < alloc_prop_input::has_memory_space
+                  , std::integral_constant<unsigned,1>
+            , typename traits::device_type::memory_space
+            >::type
+            , typename std::conditional
+            < alloc_prop_input::has_execution_space
+            , std::integral_constant<unsigned,2>
+            , typename traits::device_type::execution_space
+            >::type
+            > alloc_prop ;
+
+            static_assert( traits::is_managed
+                  , "OffsetView allocation constructor requires managed memory" );
+
+            if ( alloc_prop::initialize &&
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+                  ! alloc_prop::execution_space::is_initialized()
+#else
+            ! alloc_prop::execution_space::impl_is_initialized()
+#endif
+            ) {
+               // If initializing view data then
+               // the execution space must be initialized.
+               Kokkos::Impl::throw_runtime_exception("Constructing OffsetView and initializing data with uninitialized execution space");
+            }
+
+            // Copy the input allocation properties with possibly defaulted properties
+            alloc_prop prop( arg_prop );
+
+            //------------------------------------------------------------
+#if defined( KOKKOS_ENABLE_CUDA )
+            // If allocating in CudaUVMSpace must fence before and after
+            // the allocation to protect against possible concurrent access
+            // on the CPU and the GPU.
+            // Fence using the trait's executon space (which will be Kokkos::Cuda)
+            // to avoid incomplete type errors from usng Kokkos::Cuda directly.
+            if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
+               traits::device_type::memory_space::execution_space::fence();
+            }
+#endif
+            //------------------------------------------------------------
+
+            Kokkos::Impl::SharedAllocationRecord<> *
+            record = m_map.allocate_shared( prop , arg_layout );
+
+            //------------------------------------------------------------
+#if defined( KOKKOS_ENABLE_CUDA )
+            if ( std::is_same< Kokkos::CudaUVMSpace , typename traits::device_type::memory_space >::value ) {
+               traits::device_type::memory_space::execution_space::fence();
+            }
+#endif
+            //------------------------------------------------------------
+
+            // Setup and initialization complete, start tracking
+            m_track.assign_allocated_record_to_uninitialized( record );
+
+#ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
+            Kokkos::Experimental::Impl::runtime_check_rank_host(traits::rank_dynamic, Rank, minIndices, label());
+#else
+            Kokkos::Experimental::Impl::runtime_check_rank_device(traits::rank_dynamic, Rank, minIndices);
+
+#endif
+
+         }
+
+
+      };
+
+
+
+      /** \brief Temporary free function rank()
+       *         until rank() is implemented
+       *         in the View
+       */
+      template < typename D , class ... P >
+      KOKKOS_INLINE_FUNCTION
+      constexpr unsigned rank( const OffsetView<D , P...> & V ) { return V.Rank; } //Temporary until added to view
+
+      //----------------------------------------------------------------------------
+      //----------------------------------------------------------------------------
+      namespace Impl {
+
+         template< class T >
+         KOKKOS_INLINE_FUNCTION
+         typename  std::enable_if< std::is_integral<T>::value, T>::type
+         shift_input(const T arg, const int64_t offset)
+         {
+            return arg - offset;
+         }
+
+         KOKKOS_INLINE_FUNCTION
+         Kokkos::Impl::ALL_t
+         shift_input(const Kokkos::Impl::ALL_t arg, const int64_t offset)
+         {
+            return arg;
+         }
+
+         template< class T >
+         KOKKOS_INLINE_FUNCTION
+         typename  std::enable_if< std::is_integral<T>::value, Kokkos::pair<T,T> >::type
+         shift_input(const Kokkos::pair<T, T> arg, const int64_t offset)
+         {
+
+            return Kokkos::make_pair<T,T>(arg.first - offset, arg.second - offset);
+
+         }
+         template< class T >
+	 inline
+         typename  std::enable_if< std::is_integral<T>::value, std::pair<T,T> >::type
+         shift_input(const std::pair<T, T> arg, const int64_t offset)
+         {
+
+            return std::make_pair<T,T>(arg.first - offset, arg.second - offset);
+
+         }
+
+         template <size_t N, class Arg, class A>
+         KOKKOS_INLINE_FUNCTION
+         void
+         map_arg_to_new_begin(const size_t i,
+               Kokkos::Array<int64_t, N> &subviewBegins, typename std::enable_if< N != 0, const Arg>::type shiftedArg,
+               const Arg arg, const A viewBegins, size_t & counter) {
+
+            if( !std::is_integral<Arg>::value) {
+               subviewBegins[counter] = shiftedArg == arg ? viewBegins[i] : 0;
+               counter++;
+            }
+         }
+
+         template <size_t N, class Arg, class A>
+         KOKKOS_INLINE_FUNCTION
+         void
+         map_arg_to_new_begin(const size_t i,
+               Kokkos::Array<int64_t, N> &subviewBegins, typename std::enable_if< N == 0, const Arg>::type shiftedArg,
+               const Arg arg, const A viewBegins, size_t & counter) {
+
+         }
+
+
+         template< class D, class ... P , class T >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T arg) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T shiftedArg = shift_input(arg, begins[0]);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T>::type::Rank;
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg);
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg, arg, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+
+         }
+
+         template< class D, class ... P , class T0, class T1 >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1
+         >::type >::type
+         subview_offset(const Kokkos::Experimental::OffsetView< D, P... > & src, T0 arg0, T1 arg1) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+
+            auto theSubview = Kokkos::subview(theView , shiftedArg0, shiftedArg1);
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1>::type::Rank;
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+
+         }
+
+         template< class D, class ... P , class T0, class T1, class T2 >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2>::type::Rank;
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+
+         template< class D, class ... P , class T0, class T1, class T2, class T3 >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2, T3
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2, T3 arg3) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+            T3 shiftedArg3 = shift_input(arg3, begins[3]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2, shiftedArg3);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2, T3>::type::Rank;
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(3, subviewBegins, shiftedArg3, arg3, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2, T3 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+
+         template< class D, class ... P , class T0, class T1, class T2, class T3, class T4 >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2, T3, T4
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2, T3 arg3, T4 arg4) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+            T3 shiftedArg3 = shift_input(arg3, begins[3]);
+            T4 shiftedArg4 = shift_input(arg4, begins[4]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2, shiftedArg3, shiftedArg4);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2, T3, T4>::type::Rank;
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(3, subviewBegins, shiftedArg3, arg3, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(4, subviewBegins, shiftedArg4, arg4, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2, T3, T4 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+
+         template< class D, class ... P , class T0, class T1, class T2, class T3, class T4,
+         class T5 >
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2, T3, T4, T5
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2, T3 arg3, T4 arg4, T5 arg5) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+            T3 shiftedArg3 = shift_input(arg3, begins[3]);
+            T4 shiftedArg4 = shift_input(arg4, begins[4]);
+            T5 shiftedArg5 = shift_input(arg5, begins[5]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2, shiftedArg3, shiftedArg4, shiftedArg5);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2, T3, T4, T5>::type::Rank;
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(3, subviewBegins, shiftedArg3, arg3, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(4, subviewBegins, shiftedArg4, arg4, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(5, subviewBegins, shiftedArg5, arg5, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2, T3, T4, T5 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+         template< class D, class ... P , class T0, class T1, class T2, class T3, class T4,
+         class T5, class T6>
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2, T3, T4, T5, T6
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2, T3 arg3, T4 arg4, T5 arg5,
+               T6 arg6) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+            T3 shiftedArg3 = shift_input(arg3, begins[3]);
+            T4 shiftedArg4 = shift_input(arg4, begins[4]);
+            T5 shiftedArg5 = shift_input(arg5, begins[5]);
+            T6 shiftedArg6 = shift_input(arg6, begins[6]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2, shiftedArg3, shiftedArg4, shiftedArg5,
+                  shiftedArg6);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2, T3, T4, T5, T6>::type::Rank;
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(3, subviewBegins, shiftedArg3, arg3, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(4, subviewBegins, shiftedArg4, arg4, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(5, subviewBegins, shiftedArg5, arg5, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(6, subviewBegins, shiftedArg6, arg6, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2, T3, T4, T5,
+            T6 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+
+         template< class D, class ... P , class T0, class T1, class T2, class T3, class T4,
+         class T5, class T6, class T7>
+         KOKKOS_INLINE_FUNCTION
+         typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+         < void /* deduce subview type from source view traits */
+         , ViewTraits< D , P... >
+         , T0, T1, T2, T3, T4, T5, T6, T7
+         >::type >::type
+         subview_offset(const OffsetView< D, P... > & src, T0 arg0, T1 arg1, T2 arg2, T3 arg3, T4 arg4, T5 arg5,
+               T6 arg6, T7 arg7) {
+
+            auto theView = src.view();
+            auto begins = src.begins();
+
+            T0 shiftedArg0 = shift_input(arg0, begins[0]);
+            T1 shiftedArg1 = shift_input(arg1, begins[1]);
+            T2 shiftedArg2 = shift_input(arg2, begins[2]);
+            T3 shiftedArg3 = shift_input(arg3, begins[3]);
+            T4 shiftedArg4 = shift_input(arg4, begins[4]);
+            T5 shiftedArg5 = shift_input(arg5, begins[5]);
+            T6 shiftedArg6 = shift_input(arg6, begins[6]);
+            T7 shiftedArg7 = shift_input(arg7, begins[7]);
+
+            auto theSubview = Kokkos::subview( theView , shiftedArg0, shiftedArg1, shiftedArg2, shiftedArg3, shiftedArg4, shiftedArg5,
+                  shiftedArg6, shiftedArg7);
+
+            constexpr size_t rank = Kokkos::Impl::ViewMapping
+                  < void /* deduce subview type from source view traits */
+                  , ViewTraits< D , P... >
+            , T0, T1, T2, T3, T4, T5, T6, T7>::type::Rank;
+
+            Kokkos::Array<int64_t, rank> subviewBegins;
+
+            size_t counter = 0;
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(0, subviewBegins, shiftedArg0, arg0, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(1, subviewBegins, shiftedArg1, arg1, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(2, subviewBegins, shiftedArg2, arg2, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(3, subviewBegins, shiftedArg3, arg3, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(4, subviewBegins, shiftedArg4, arg4, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(5, subviewBegins, shiftedArg5, arg5, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(6, subviewBegins, shiftedArg6, arg6, begins, counter);
+            Kokkos::Experimental::Impl::map_arg_to_new_begin(7, subviewBegins, shiftedArg7, arg7, begins, counter);
+
+            typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping<
+            void /* deduce subview type from source view traits */
+            , ViewTraits< D , P... > , T0, T1, T2, T3, T4, T5,
+            T6, T7 >::type >::type offsetView(theSubview, subviewBegins);
+
+            return offsetView;
+         }
+      }
+
+      template< class D, class ... P , class ... Args >
+      KOKKOS_INLINE_FUNCTION
+      typename Kokkos::Experimental::Impl::GetOffsetViewTypeFromViewType<typename Kokkos::Impl::ViewMapping
+      < void /* deduce subview type from source view traits */
+      , ViewTraits< D , P... >
+      , Args ...
+      >::type >::type
+      subview( const OffsetView< D, P... > & src , Args ... args )
+      {
+         static_assert( OffsetView< D , P... >::Rank == sizeof...(Args) ,
+               "subview requires one argument for each source OffsetView rank" );
+
+
+         return Kokkos::Experimental::Impl::subview_offset(src, args...);
+
+
+      }
+
+   }
+}
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+   namespace Experimental {
+      template< class LT , class ... LP , class RT , class ... RP >
+      KOKKOS_INLINE_FUNCTION
+      bool operator == ( const OffsetView<LT,LP...> & lhs ,
+            const OffsetView<RT,RP...> & rhs )
+            {
+         // Same data, layout, dimensions
+         typedef ViewTraits<LT,LP...>  lhs_traits ;
+         typedef ViewTraits<RT,RP...>  rhs_traits ;
+
+         return
+               std::is_same< typename lhs_traits::const_value_type ,
+               typename rhs_traits::const_value_type >::value &&
+               std::is_same< typename lhs_traits::array_layout ,
+               typename rhs_traits::array_layout >::value &&
+               std::is_same< typename lhs_traits::memory_space ,
+               typename rhs_traits::memory_space >::value &&
+               unsigned(lhs_traits::rank) == unsigned(rhs_traits::rank) &&
+               lhs.data()        == rhs.data() &&
+               lhs.span()        == rhs.span() &&
+               lhs.extent(0) == rhs.extent(0) &&
+               lhs.extent(1) == rhs.extent(1) &&
+               lhs.extent(2) == rhs.extent(2) &&
+               lhs.extent(3) == rhs.extent(3) &&
+               lhs.extent(4) == rhs.extent(4) &&
+               lhs.extent(5) == rhs.extent(5) &&
+               lhs.extent(6) == rhs.extent(6) &&
+               lhs.extent(7) == rhs.extent(7) &&
+               lhs.begin(0) == rhs.begin(0) &&
+               lhs.begin(1) == rhs.begin(1) &&
+               lhs.begin(2) == rhs.begin(2) &&
+               lhs.begin(3) == rhs.begin(3) &&
+               lhs.begin(4) == rhs.begin(4) &&
+               lhs.begin(5) == rhs.begin(5) &&
+               lhs.begin(6) == rhs.begin(6) &&
+               lhs.begin(7) == rhs.begin(7)
+               ;
+            }
+
+      template< class LT , class ... LP , class RT , class ... RP >
+      KOKKOS_INLINE_FUNCTION
+      bool operator != ( const OffsetView<LT,LP...> & lhs ,
+            const OffsetView<RT,RP...> & rhs )
+            {
+         return ! ( operator==(lhs,rhs) );
+            }
+
+      template< class LT , class ... LP , class RT , class ... RP >
+      KOKKOS_INLINE_FUNCTION
+      bool operator == ( const View<LT,LP...> & lhs ,
+            const OffsetView<RT,RP...> & rhs )
+            {
+         // Same data, layout, dimensions
+         typedef ViewTraits<LT,LP...>  lhs_traits ;
+         typedef ViewTraits<RT,RP...>  rhs_traits ;
+
+         return
+               std::is_same< typename lhs_traits::const_value_type ,
+               typename rhs_traits::const_value_type >::value &&
+               std::is_same< typename lhs_traits::array_layout ,
+               typename rhs_traits::array_layout >::value &&
+               std::is_same< typename lhs_traits::memory_space ,
+               typename rhs_traits::memory_space >::value &&
+               unsigned(lhs_traits::rank) == unsigned(rhs_traits::rank) &&
+               lhs.data()        == rhs.data() &&
+               lhs.span()        == rhs.span() &&
+               lhs.extent(0) == rhs.extent(0) &&
+               lhs.extent(1) == rhs.extent(1) &&
+               lhs.extent(2) == rhs.extent(2) &&
+               lhs.extent(3) == rhs.extent(3) &&
+               lhs.extent(4) == rhs.extent(4) &&
+               lhs.extent(5) == rhs.extent(5) &&
+               lhs.extent(6) == rhs.extent(6) &&
+               lhs.extent(7) == rhs.extent(7)
+               ;
+            }
+
+      template< class LT , class ... LP , class RT , class ... RP >
+      KOKKOS_INLINE_FUNCTION
+      bool operator == ( const OffsetView<LT,LP...> & lhs ,
+            const View<RT,RP...> & rhs )
+            { return rhs == lhs;}
+
+   }
+} /* namespace Kokkos */
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+namespace Kokkos {
+   namespace Experimental {
+      template< class DT , class ... DP >
+      inline
+      void deep_copy
+      ( const OffsetView<DT,DP...> & dst
+            , typename ViewTraits<DT,DP...>::const_value_type & value
+            , typename std::enable_if<
+            std::is_same< typename ViewTraits<DT,DP...>::specialize , void >::value
+            >::type * = 0 )
+      {
+         static_assert(
+               std::is_same< typename ViewTraits<DT,DP...>::non_const_value_type ,
+               typename ViewTraits<DT,DP...>::value_type >::value
+               , "deep_copy requires non-const type" );
+
+         auto dstView = dst.view();
+         Kokkos::deep_copy( dstView , value );
+
+      }
+
+      template< class DT , class ... DP , class ST , class ... SP >
+      inline
+      void deep_copy
+      ( const OffsetView<DT,DP...> & dst
+            , const OffsetView<ST,SP...> & value
+            , typename std::enable_if<
+            std::is_same< typename ViewTraits<DT,DP...>::specialize , void >::value
+            >::type * = 0 )
+      {
+         static_assert(
+               std::is_same< typename ViewTraits<DT,DP...>::value_type ,
+               typename ViewTraits<ST,SP...>::non_const_value_type >::value
+               , "deep_copy requires matching non-const destination type" );
+
+         auto dstView = dst.view();
+         Kokkos::deep_copy( dstView , value.view() );
+
+      }
+      template< class DT , class ... DP , class ST , class ... SP >
+      inline
+      void deep_copy
+      ( const OffsetView<DT,DP...> & dst
+            , const View<ST,SP...> & value
+            , typename std::enable_if<
+            std::is_same< typename ViewTraits<DT,DP...>::specialize , void >::value
+            >::type * = 0 )
+      {
+         static_assert(
+               std::is_same< typename ViewTraits<DT,DP...>::value_type ,
+               typename ViewTraits<ST,SP...>::non_const_value_type >::value
+               , "deep_copy requires matching non-const destination type" );
+
+         auto dstView = dst.view();
+         Kokkos::deep_copy( dstView , value);
+
+      }
+
+      template< class DT , class ... DP , class ST , class ... SP >
+      inline
+      void deep_copy
+      ( const View<DT,DP...> & dst
+            , const OffsetView<ST,SP...> & value
+            , typename std::enable_if<
+            std::is_same< typename ViewTraits<DT,DP...>::specialize , void >::value
+            >::type * = 0 )
+      {
+         static_assert(
+               std::is_same< typename ViewTraits<DT,DP...>::value_type ,
+               typename ViewTraits<ST,SP...>::non_const_value_type >::value
+               , "deep_copy requires matching non-const destination type" );
+
+         Kokkos::deep_copy( dst , value.view() );
+
+      }
+      namespace Impl {
+
+         // Deduce Mirror Types
+         template<class Space, class T, class ... P>
+         struct MirrorOffsetViewType {
+            // The incoming view_type
+            typedef typename Kokkos::Experimental::OffsetView<T,P...> src_view_type;
+            // The memory space for the mirror view
+            typedef typename Space::memory_space memory_space;
+            // Check whether it is the same memory space
+            enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
+            // The array_layout
+            typedef typename src_view_type::array_layout array_layout;
+            // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
+            typedef typename src_view_type::non_const_data_type data_type;
+            // The destination view type if it is not the same memory space
+            typedef Kokkos::Experimental::OffsetView<data_type,array_layout,Space> dest_view_type;
+            // If it is the same memory_space return the existsing view_type
+            // This will also keep the unmanaged trait if necessary
+            typedef typename std::conditional<is_same_memspace,src_view_type,dest_view_type>::type view_type;
+         };
+
+         template<class Space, class T, class ... P>
+         struct MirrorOffsetType {
+            // The incoming view_type
+            typedef typename Kokkos::Experimental::OffsetView<T,P...> src_view_type;
+            // The memory space for the mirror view
+            typedef typename Space::memory_space memory_space;
+            // Check whether it is the same memory space
+            enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
+            // The array_layout
+            typedef typename src_view_type::array_layout array_layout;
+            // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
+            typedef typename src_view_type::non_const_data_type data_type;
+            // The destination view type if it is not the same memory space
+            typedef Kokkos::Experimental::OffsetView<data_type,array_layout,Space> view_type;
+         };
+
+      }
+
+      template< class T , class ... P >
+      inline
+      typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror
+      create_mirror( const Kokkos::Experimental::OffsetView<T,P...> & src
+            , typename std::enable_if<
+            ! std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
+            , Kokkos::LayoutStride >::value
+            >::type * = 0
+      )
+      {
+         typedef OffsetView<T,P...>             src_type ;
+         typedef typename src_type::HostMirror  dst_type ;
+
+         return dst_type( Kokkos::Impl::ViewCtorProp< std::string >(std::string( src.label() ).append("_mirror") ),
+               typename Kokkos::ViewTraits<T,P...>::array_layout
+               ( src.extent(0), src.extent(1), src.extent(2), src.extent(3), src.extent(4),
+                     src.extent(5), src.extent(6), src.extent(7) ),
+                     { src.begin(0), src.begin(1), src.begin(2), src.begin(3), src.begin(4),
+                           src.begin(5), src.begin(6), src.begin(7) });
+      }
+
+      template< class T , class ... P >
+      inline
+      typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror
+      create_mirror( const Kokkos::Experimental::OffsetView<T,P...> & src
+            , typename std::enable_if<
+            std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
+            , Kokkos::LayoutStride >::value
+            >::type * = 0
+      )
+      {
+         typedef OffsetView<T,P...>             src_type ;
+         typedef typename src_type::HostMirror  dst_type ;
+
+         Kokkos::LayoutStride layout ;
+
+         layout.dimension[0] = src.extent(0);
+         layout.dimension[1] = src.extent(1);
+         layout.dimension[2] = src.extent(2);
+         layout.dimension[3] = src.extent(3);
+         layout.dimension[4] = src.extent(4);
+         layout.dimension[5] = src.extent(5);
+         layout.dimension[6] = src.extent(6);
+         layout.dimension[7] = src.extent(7);
+
+         layout.stride[0] = src.stride_0();
+         layout.stride[1] = src.stride_1();
+         layout.stride[2] = src.stride_2();
+         layout.stride[3] = src.stride_3();
+         layout.stride[4] = src.stride_4();
+         layout.stride[5] = src.stride_5();
+         layout.stride[6] = src.stride_6();
+         layout.stride[7] = src.stride_7();
+
+         return dst_type( std::string( src.label() ).append("_mirror") , layout,
+               { src.begin(0), src.begin(1), src.begin(2), src.begin(3), src.begin(4),
+                     src.begin(5), src.begin(6), src.begin(7) } );
+      }
+
+
+      // Create a mirror in a new space (specialization for different space)
+      template<class Space, class T, class ... P>
+      typename Kokkos::Experimental::Impl::MirrorOffsetType<Space,T,P ...>::view_type
+      create_mirror(const Space& , const Kokkos::Experimental::OffsetView<T,P...> & src) {
+         return typename Kokkos::Experimental::Impl::MirrorOffsetType<Space,T,P ...>::view_type(src.label(),src.layout(),
+               { src.begin(0), src.begin(1), src.begin(2), src.begin(3), src.begin(4),
+                     src.begin(5), src.begin(6), src.begin(7) } );
+      }
+
+
+      template< class T , class ... P >
+      inline
+      typename Kokkos::Experimental::OffsetView< T, P... >::HostMirror
+      create_mirror_view( const typename Kokkos::Experimental::OffsetView< T,P... > & src
+            , typename std::enable_if<(
+                  std::is_same< typename Kokkos::Experimental::OffsetView<T,P...>::memory_space
+                  , typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror::memory_space
+                  >::value
+                  &&
+                  std::is_same< typename Kokkos::Experimental::OffsetView<T,P...>::data_type
+                  , typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror::data_type
+                  >::value
+            )>::type * = 0
+      )
+      {
+         return src ;
+      }
+
+      template< class T , class ... P >
+      inline
+      typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror
+      create_mirror_view( const Kokkos::Experimental::OffsetView<T,P...> & src
+            , typename std::enable_if< ! (
+                  std::is_same< typename Kokkos::Experimental::OffsetView<T,P...>::memory_space
+                  , typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror::memory_space
+                  >::value
+                  &&
+                  std::is_same< typename Kokkos::Experimental::OffsetView<T,P...>::data_type
+                  , typename Kokkos::Experimental::OffsetView<T,P...>::HostMirror::data_type
+                  >::value
+            )>::type * = 0
+      )
+      {
+	return Kokkos::Experimental::create_mirror( src );
+      }
+
+      // Create a mirror view in a new space (specialization for same space)
+      template<class Space, class T, class ... P>
+      typename Kokkos::Experimental::Impl::MirrorOffsetViewType<Space,T,P ...>::view_type
+      create_mirror_view(const Space& , const Kokkos::Experimental::OffsetView<T,P...> & src
+            , typename std::enable_if<Impl::MirrorOffsetViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+         return src;
+      }
+
+      // Create a mirror view in a new space (specialization for different space)
+      template<class Space, class T, class ... P>
+      typename Kokkos::Experimental::Impl::MirrorOffsetViewType<Space,T,P ...>::view_type
+      create_mirror_view(const Space& , const Kokkos::Experimental::OffsetView<T,P...> & src
+            , typename std::enable_if<!Impl::MirrorOffsetViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+         return typename Kokkos::Experimental::Impl::MirrorOffsetViewType<Space,T,P ...>::view_type(src.label(),src.layout(),
+               { src.begin(0), src.begin(1), src.begin(2), src.begin(3), src.begin(4),
+                     src.begin(5), src.begin(6), src.begin(7) } );
+      }
+      //
+      //  // Create a mirror view and deep_copy in a new space (specialization for same space)
+      //  template<class Space, class T, class ... P>
+      //  typename Kokkos::Experimental::Impl::MirrorViewType<Space,T,P ...>::view_type
+      //  create_mirror_view_and_copy(const Space& , const Kokkos::Experimental::OffsetView<T,P...> & src
+      //                              , std::string const& name = ""
+      //                                  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+      //    (void)name;
+      //    return src;
+      //  }
+      //
+      //  // Create a mirror view and deep_copy in a new space (specialization for different space)
+      //  template<class Space, class T, class ... P>
+      //  typename Kokkos::Experimental::Impl::MirrorViewType<Space,T,P ...>::view_type
+      //  create_mirror_view_and_copy(const Space& , const Kokkos::Experimental::OffsetView<T,P...> & src
+      //                              , std::string const& name = ""
+      //                                  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+      //    using Mirror = typename Kokkos::Experimental::Impl::MirrorViewType<Space,T,P ...>::view_type;
+      //    std::string label = name.empty() ? src.label() : name;
+      //    auto mirror = Mirror(ViewAllocateWithoutInitializing(label), src.layout(),
+      //                         { src.begin(0), src.begin(1), src.begin(2), src.begin(3), src.begin(4),
+      //                             src.begin(5), src.begin(6), src.begin(7) });
+      //    deep_copy(mirror, src);
+      //    return mirror;
+      //  }
+
+   }
+} /* namespace Kokkos */
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+
+#endif /* KOKKOS_OFFSETVIEW_HPP_ */
diff --git a/lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp b/lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp
index c522d85c5b..f63ce4b880 100644
--- a/lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp
+++ b/lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp
@@ -47,7 +47,9 @@
 #include <string>
 #include <vector>
 
-#include <Kokkos_Core.hpp>
+#include <Kokkos_View.hpp>
+#include <Kokkos_Parallel.hpp>
+#include <Kokkos_Parallel_Reduce.hpp>
 
 namespace Kokkos {
 
diff --git a/lib/kokkos/containers/src/Kokkos_Vector.hpp b/lib/kokkos/containers/src/Kokkos_Vector.hpp
index 8204ba776e..76c515941e 100644
--- a/lib/kokkos/containers/src/Kokkos_Vector.hpp
+++ b/lib/kokkos/containers/src/Kokkos_Vector.hpp
@@ -86,14 +86,13 @@ public:
   vector():DV() {
     _size = 0;
     _extra_storage = 1.1;
-    DV::modified_host() = 1;
   }
 
 
   vector(int n, Scalar val=Scalar()):DualView<Scalar*,LayoutLeft,Arg1Type>("Vector",size_t(n*(1.1))) {
     _size = n;
     _extra_storage = 1.1;
-    DV::modified_host() = 1;
+    DV::modified_flags(0) = 1;
 
     assign(n,val);
   }
@@ -119,16 +118,16 @@ public:
 
           /* Assign value either on host or on device */
 
-    if( DV::modified_host() >= DV::modified_device() ) {
+    if( DV::template need_sync<typename DV::t_dev::device_type>() ) {
       set_functor_host f(DV::h_view,val);
       parallel_for(n,f);
       DV::t_host::execution_space::fence();
-      DV::modified_host()++;
+      DV::template modify<typename DV::t_host::device_type>();
     } else {
       set_functor f(DV::d_view,val);
       parallel_for(n,f);
       DV::t_dev::execution_space::fence();
-      DV::modified_device()++;
+      DV::template modify<typename DV::t_dev::device_type>();
     }
   }
 
@@ -137,7 +136,8 @@ public:
   }
 
   void push_back(Scalar val) {
-    DV::modified_host()++;
+    DV::template sync<typename DV::t_host::device_type>();
+    DV::template modify<typename DV::t_host::device_type>();
     if(_size == span()) {
       size_t new_size = _size*_extra_storage;
       if(new_size == _size) new_size++;
@@ -247,10 +247,10 @@ public:
   }
 
   void on_host() {
-    DV::modified_host() = DV::modified_device() + 1;
+    DV::template modify<typename DV::t_host::device_type>();
   }
   void on_device() {
-    DV::modified_device() = DV::modified_host() + 1;
+    DV::template modify<typename DV::t_dev::device_type>();
   }
 
   void set_overallocation(float extra) {
diff --git a/lib/kokkos/containers/unit_tests/CMakeLists.txt b/lib/kokkos/containers/unit_tests/CMakeLists.txt
index 3dbe79183a..0f94afec8c 100644
--- a/lib/kokkos/containers/unit_tests/CMakeLists.txt
+++ b/lib/kokkos/containers/unit_tests/CMakeLists.txt
@@ -23,6 +23,7 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
     threads/TestThreads_DynRankViewAPI_rank12345.cpp
     threads/TestThreads_DynRankViewAPI_rank67.cpp
     threads/TestThreads_ErrorReporter.cpp
+    threads/TestThreads_OffsetView.cpp
     threads/TestThreads_ScatterView.cpp
     threads/TestThreads_StaticCrsGraph.cpp
     threads/TestThreads_UnorderedMap.cpp
@@ -47,6 +48,7 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
     serial/TestSerial_DynRankViewAPI_rank12345.cpp
     serial/TestSerial_DynRankViewAPI_rank67.cpp
     serial/TestSerial_ErrorReporter.cpp
+    serial/TestSerial_OffsetView.cpp
     serial/TestSerial_ScatterView.cpp
     serial/TestSerial_StaticCrsGraph.cpp
     serial/TestSerial_UnorderedMap.cpp
@@ -71,6 +73,7 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
     openmp/TestOpenMP_DynRankViewAPI_rank12345.cpp
     openmp/TestOpenMP_DynRankViewAPI_rank67.cpp
     openmp/TestOpenMP_ErrorReporter.cpp
+    openmp/TestOpenMP_OffsetView.cpp
     openmp/TestOpenMP_ScatterView.cpp
     openmp/TestOpenMP_StaticCrsGraph.cpp
     openmp/TestOpenMP_UnorderedMap.cpp
@@ -95,6 +98,7 @@ TRIBITS_ADD_EXECUTABLE_AND_TEST(
     cuda/TestCuda_DynRankViewAPI_rank12345.cpp
     cuda/TestCuda_DynRankViewAPI_rank67.cpp
     cuda/TestCuda_ErrorReporter.cpp
+    cuda/TestCuda_OffsetView.cpp
     cuda/TestCuda_ScatterView.cpp
     cuda/TestCuda_StaticCrsGraph.cpp
     cuda/TestCuda_UnorderedMap.cpp
diff --git a/lib/kokkos/containers/unit_tests/Makefile b/lib/kokkos/containers/unit_tests/Makefile
index 52d5d61aa9..c0e5d2820c 100644
--- a/lib/kokkos/containers/unit_tests/Makefile
+++ b/lib/kokkos/containers/unit_tests/Makefile
@@ -39,6 +39,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
 	OBJ_CUDA += TestCuda_DynRankViewAPI_rank12345.o
 	OBJ_CUDA += TestCuda_DynRankViewAPI_rank67.o
 	OBJ_CUDA += TestCuda_ErrorReporter.o
+	OBJ_CUDA += TestCuda_OffsetView.o
 	OBJ_CUDA += TestCuda_ScatterView.o
 	OBJ_CUDA += TestCuda_StaticCrsGraph.o
 	OBJ_CUDA += TestCuda_UnorderedMap.o
@@ -57,6 +58,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
 	OBJ_ROCM += TestROCm_DynRankViewAPI_rank12345.o
 	OBJ_ROCM += TestROCm_DynRankViewAPI_rank67.o
 	OBJ_ROCM += TestROCm_ErrorReporter.o
+	OBJ_ROCM += TestROCm_OffsetView.o
 	OBJ_ROCM += TestROCm_ScatterView.o
 	OBJ_ROCM += TestROCm_StaticCrsGraph.o
 	OBJ_ROCM += TestROCm_UnorderedMap.o
@@ -75,6 +77,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_PTHREADS), 1)
 	OBJ_THREADS += TestThreads_DynRankViewAPI_rank12345.o
 	OBJ_THREADS += TestThreads_DynRankViewAPI_rank67.o
 	OBJ_THREADS += TestThreads_ErrorReporter.o
+	OBJ_THREADS += TestThreads_OffsetView.o
 	OBJ_THREADS += TestThreads_ScatterView.o
 	OBJ_THREADS += TestThreads_StaticCrsGraph.o
 	OBJ_THREADS += TestThreads_UnorderedMap.o
@@ -93,6 +96,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	OBJ_OPENMP += TestOpenMP_DynRankViewAPI_rank12345.o
 	OBJ_OPENMP += TestOpenMP_DynRankViewAPI_rank67.o
 	OBJ_OPENMP += TestOpenMP_ErrorReporter.o
+	OBJ_OPENMP += TestOpenMP_OffsetView.o
 	OBJ_OPENMP += TestOpenMP_ScatterView.o
 	OBJ_OPENMP += TestOpenMP_StaticCrsGraph.o
 	OBJ_OPENMP += TestOpenMP_UnorderedMap.o
@@ -111,6 +115,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
 	OBJ_SERIAL += TestSerial_DynRankViewAPI_rank12345.o
 	OBJ_SERIAL += TestSerial_DynRankViewAPI_rank67.o
 	OBJ_SERIAL += TestSerial_ErrorReporter.o
+	OBJ_SERIAL += TestSerial_OffsetView.o
 	OBJ_SERIAL += TestSerial_ScatterView.o
 	OBJ_SERIAL += TestSerial_StaticCrsGraph.o
 	OBJ_SERIAL += TestSerial_UnorderedMap.o
diff --git a/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp b/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
index 8c073710e2..6684a55452 100644
--- a/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
+++ b/lib/kokkos/containers/unit_tests/TestDynViewAPI.hpp
@@ -729,6 +729,7 @@ public:
   static void run_tests() {
     run_test_resize_realloc();
     run_test_mirror();
+    run_test_mirror_and_copy();
     run_test_scalar();
     run_test();
     run_test_const();
@@ -885,6 +886,69 @@ public:
     }
   }
 
+  static void run_test_mirror_and_copy()
+  {
+    // LayoutLeft
+    {
+      Kokkos::DynRankView< double, Kokkos::LayoutLeft, Kokkos::HostSpace > a_org( "A", 10 );
+      a_org(5) = 42.0;
+      Kokkos::DynRankView< double, Kokkos::LayoutLeft, Kokkos::HostSpace > a_h = a_org;
+      auto a_h2 = Kokkos::create_mirror_view_and_copy( Kokkos::HostSpace(), a_h );
+      auto a_d = Kokkos::create_mirror_view_and_copy( DeviceType(), a_h );
+      auto a_h3 = Kokkos::create_mirror_view_and_copy( Kokkos::HostSpace(), a_d );
+
+      int equal_ptr_h_h2 = a_h.data()  == a_h2.data() ? 1 : 0;
+      int equal_ptr_h_d  = a_h.data()  ==  a_d.data() ? 1 : 0;
+      int equal_ptr_h2_d = a_h2.data() ==  a_d.data() ? 1 : 0;
+      int equal_ptr_h3_d = a_h3.data() ==  a_d.data() ? 1 : 0;
+
+      int is_same_memspace = std::is_same< Kokkos::HostSpace, typename DeviceType::memory_space >::value ? 1 : 0;
+      ASSERT_EQ( equal_ptr_h_h2, 1 );
+      ASSERT_EQ( equal_ptr_h_d, is_same_memspace );
+      ASSERT_EQ( equal_ptr_h2_d, is_same_memspace );
+      ASSERT_EQ( equal_ptr_h3_d, is_same_memspace );
+
+      ASSERT_EQ( a_h.extent(0), a_h3.extent(0) );
+      ASSERT_EQ( a_h.extent(0), a_h2.extent(0) );
+      ASSERT_EQ( a_h.extent(0), a_d .extent(0) );
+      ASSERT_EQ( a_h.extent(0), a_h3.extent(0) );
+      ASSERT_EQ( a_h.rank(), a_org.rank() );
+      ASSERT_EQ( a_h.rank(), a_h2.rank() );
+      ASSERT_EQ( a_h.rank(), a_h3.rank() );
+      ASSERT_EQ( a_h.rank(), a_d.rank() );
+      ASSERT_EQ( a_org(5), a_h3(5) );
+    }
+    // LayoutRight
+    {
+      Kokkos::DynRankView< double, Kokkos::LayoutRight, Kokkos::HostSpace > a_org( "A", 10 );
+      a_org(5) = 42.0;
+      Kokkos::DynRankView< double, Kokkos::LayoutRight, Kokkos::HostSpace > a_h = a_org;
+      auto a_h2 = Kokkos::create_mirror_view_and_copy( Kokkos::HostSpace(), a_h );
+      auto a_d = Kokkos::create_mirror_view_and_copy( DeviceType(), a_h );
+      auto a_h3 = Kokkos::create_mirror_view_and_copy( Kokkos::HostSpace(), a_d );
+
+      int equal_ptr_h_h2 = a_h.data()  == a_h2.data() ? 1 : 0;
+      int equal_ptr_h_d  = a_h.data()  ==  a_d.data() ? 1 : 0;
+      int equal_ptr_h2_d = a_h2.data() ==  a_d.data() ? 1 : 0;
+      int equal_ptr_h3_d = a_h3.data() ==  a_d.data() ? 1 : 0;
+
+      int is_same_memspace = std::is_same< Kokkos::HostSpace, typename DeviceType::memory_space >::value ? 1 : 0;
+      ASSERT_EQ( equal_ptr_h_h2, 1 );
+      ASSERT_EQ( equal_ptr_h_d, is_same_memspace );
+      ASSERT_EQ( equal_ptr_h2_d, is_same_memspace );
+      ASSERT_EQ( equal_ptr_h3_d, is_same_memspace );
+
+      ASSERT_EQ( a_h.extent(0), a_h3.extent(0) );
+      ASSERT_EQ( a_h.extent(0), a_h2.extent(0) );
+      ASSERT_EQ( a_h.extent(0), a_d .extent(0) );
+      ASSERT_EQ( a_h.rank(), a_org.rank() );
+      ASSERT_EQ( a_h.rank(), a_h2.rank() );
+      ASSERT_EQ( a_h.rank(), a_h3.rank() );
+      ASSERT_EQ( a_h.rank(), a_d.rank() );
+      ASSERT_EQ( a_org(5), a_h3(5) );
+    }
+  }
+
   static void run_test_scalar()
   {
     typedef typename dView0::HostMirror  hView0 ; //HostMirror of DynRankView is a DynRankView
diff --git a/lib/kokkos/containers/unit_tests/TestOffsetView.hpp b/lib/kokkos/containers/unit_tests/TestOffsetView.hpp
new file mode 100644
index 0000000000..6965199d45
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/TestOffsetView.hpp
@@ -0,0 +1,426 @@
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+
+/*
+ * FIXME the OffsetView class is really not very well tested.
+ */
+#ifndef CONTAINERS_UNIT_TESTS_TESTOFFSETVIEW_HPP_
+#define CONTAINERS_UNIT_TESTS_TESTOFFSETVIEW_HPP_
+
+
+
+#include <gtest/gtest.h>
+#include <iostream>
+#include <cstdlib>
+#include <cstdio>
+#include <impl/Kokkos_Timer.hpp>
+#include <Kokkos_OffsetView.hpp>
+#include <KokkosExp_MDRangePolicy.hpp>
+
+using std::endl;
+using std::cout;
+
+namespace Test{
+
+   template <typename Scalar, typename Device>
+   void test_offsetview_construction(unsigned int size)
+   {
+
+      typedef Kokkos::Experimental::OffsetView<Scalar**, Device> offset_view_type;
+      typedef Kokkos::View<Scalar**, Device> view_type;
+
+      Kokkos::Experimental::index_list_type range0 = {-1, 3};
+      Kokkos::Experimental::index_list_type range1 = {-2, 2};
+
+      offset_view_type ov("firstOV", range0, range1);
+
+      ASSERT_EQ("firstOV", ov.label());
+      ASSERT_EQ(2, ov.Rank);
+
+      ASSERT_EQ(ov.begin(0), -1);
+      ASSERT_EQ(ov.end(0), 4);
+
+      ASSERT_EQ(ov.begin(1), -2);
+      ASSERT_EQ(ov.end(1), 3);
+
+      ASSERT_EQ(ov.extent(0), 5);
+      ASSERT_EQ(ov.extent(1), 5);
+
+      const int ovmin0 = ov.begin(0);
+      const int ovend0 = ov.end(0);
+      const int ovmin1 = ov.begin(1);
+      const int ovend1 = ov.end(1);
+
+#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
+      {
+         Kokkos::Experimental::OffsetView<Scalar*, Device> offsetV1("OneDOffsetView", range0);
+
+         Kokkos::RangePolicy<Device, int> rangePolicy1(offsetV1.begin(0), offsetV1.end(0));
+         Kokkos::parallel_for(rangePolicy1, KOKKOS_LAMBDA (const int i){
+            offsetV1(i) = 1;
+         }
+         );
+	 Kokkos::fence();
+
+         int OVResult = 0;
+         Kokkos::parallel_reduce(rangePolicy1, KOKKOS_LAMBDA(const int i, int & updateMe){
+            updateMe += offsetV1(i);
+         }, OVResult);
+	 
+	 Kokkos::fence();
+         ASSERT_EQ(OVResult, offsetV1.end(0) - offsetV1.begin(0)) << "found wrong number of elements in OffsetView that was summed.";
+
+      }
+      {  //test deep copy of scalar const value into mirro
+         const int constVal = 6;
+         typename offset_view_type::HostMirror hostOffsetView =
+               Kokkos::Experimental::create_mirror_view(ov);
+
+         Kokkos::Experimental::deep_copy(hostOffsetView, constVal);
+
+         for(int i = hostOffsetView.begin(0); i < hostOffsetView.end(0); ++i) {
+            for(int j = hostOffsetView.begin(1); j < hostOffsetView.end(1); ++j) {
+               ASSERT_EQ(hostOffsetView(i,j),  constVal) << "Bad data found in OffsetView";
+            }
+         }
+      }
+
+      typedef Kokkos::MDRangePolicy<Device, Kokkos::Rank<2>, Kokkos::IndexType<int> > range_type;
+      typedef typename range_type::point_type point_type;
+
+      range_type rangePolicy2D(point_type{ {ovmin0, ovmin1 } },
+            point_type{ { ovend0, ovend1 } });
+
+      const int constValue = 9;
+      Kokkos::parallel_for(rangePolicy2D, KOKKOS_LAMBDA (const int i, const int j) {
+         ov(i,j) =  constValue;
+      }
+      );
+      
+      //test offsetview to offsetviewmirror deep copy
+      typename offset_view_type::HostMirror hostOffsetView =
+            Kokkos::Experimental::create_mirror_view(ov);
+
+      Kokkos::Experimental::deep_copy(hostOffsetView, ov);
+
+      for(int i = hostOffsetView.begin(0); i < hostOffsetView.end(0); ++i) {
+         for(int j = hostOffsetView.begin(1); j < hostOffsetView.end(1); ++j) {
+            ASSERT_EQ(hostOffsetView(i,j),  constValue) << "Bad data found in OffsetView";
+         }
+      }
+      
+     int OVResult = 0;
+      Kokkos::parallel_reduce(rangePolicy2D, KOKKOS_LAMBDA(const int i, const int j, int & updateMe){
+         updateMe += ov(i, j);
+      }, OVResult);
+
+      int answer = 0;
+      for(int i = ov.begin(0); i < ov.end(0); ++i) {
+         for(int j = ov.begin(1); j < ov.end(1); ++j) {
+            answer += constValue;
+         }
+      }
+      
+      ASSERT_EQ(OVResult, answer) << "Bad data found in OffsetView";
+#endif
+
+      {
+         offset_view_type ovCopy(ov);
+         ASSERT_EQ(ovCopy==ov, true) <<
+               "Copy constructor or equivalence operator broken";
+      }
+      
+      {
+         offset_view_type ovAssigned = ov;
+         ASSERT_EQ(ovAssigned==ov, true) <<
+               "Assignment operator or equivalence operator broken";
+      }
+      
+      {  //construct OffsetView from a View plus begins array
+         const int extent0 = 100;
+         const int extent1 = 200;
+         const int extent2 = 300;
+         Kokkos::View<Scalar***, Device> view3D("view3D", extent0, extent1, extent2);
+
+         Kokkos::deep_copy(view3D, 1);
+
+         Kokkos::Array<int64_t,3> begins = {{-10, -20, -30}};
+         Kokkos::Experimental::OffsetView<Scalar***, Device> offsetView3D(view3D, begins);
+
+         typedef Kokkos::MDRangePolicy<Device, Kokkos::Rank<3>, Kokkos::IndexType<int64_t> > range3_type;
+         typedef typename range3_type::point_type point3_type;
+
+         range3_type rangePolicy3DZero(point3_type{ {0, 0, 0 } },
+               point3_type{ { extent0, extent1, extent2 } });
+
+#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
+        int view3DSum = 0;
+         Kokkos::parallel_reduce(rangePolicy3DZero, KOKKOS_LAMBDA(const int i, const int j, int k, int & updateMe){
+            updateMe += view3D(i, j, k);
+         }, view3DSum);
+
+         range3_type rangePolicy3D(point3_type{ {begins[0], begins[1], begins[2] } },
+               point3_type{ { begins[0] + extent0, begins[1] + extent1, begins[2] + extent2 } });
+         int offsetView3DSum = 0;
+
+         Kokkos::parallel_reduce(rangePolicy3D, KOKKOS_LAMBDA(const int i, const int j, int k, int & updateMe){
+            updateMe += offsetView3D(i, j, k);
+         }, offsetView3DSum);
+
+         ASSERT_EQ(view3DSum, offsetView3DSum) << "construction of OffsetView from View and begins array broken.";
+#endif
+      }
+      view_type viewFromOV = ov.view();
+
+      ASSERT_EQ(viewFromOV == ov, true) <<
+            "OffsetView::view() or equivalence operator View == OffsetView broken";
+
+      {
+         offset_view_type ovFromV(viewFromOV, {-1, -2});
+
+         ASSERT_EQ(ovFromV == viewFromOV , true) <<
+               "Construction of OffsetView from View or equivalence operator OffsetView == View broken";
+      }
+      {
+         offset_view_type ovFromV = viewFromOV;
+         ASSERT_EQ(ovFromV == viewFromOV , true) <<
+               "Construction of OffsetView from View by assignment (implicit conversion) or equivalence operator OffsetView == View broken";
+      }
+
+      {// test offsetview to view deep copy
+         view_type aView("aView", ov.extent(0), ov.extent(1));
+         Kokkos::Experimental::deep_copy(aView, ov);
+
+#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
+         int sum = 0;
+         Kokkos::parallel_reduce(rangePolicy2D, KOKKOS_LAMBDA(const int i, const int j, int & updateMe){
+            updateMe += ov(i, j) - aView(i- ov.begin(0), j-ov.begin(1));
+         }, sum);
+
+         ASSERT_EQ(sum, 0) << "deep_copy(view, offsetView) broken.";
+#endif
+      }
+
+      {// test view to  offsetview deep copy
+         view_type aView("aView", ov.extent(0), ov.extent(1));
+
+         Kokkos::deep_copy(aView, 99);
+         Kokkos::Experimental::deep_copy(ov, aView);
+	 
+
+#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
+         int sum = 0;
+         Kokkos::parallel_reduce(rangePolicy2D, KOKKOS_LAMBDA(const int i, const int j, int & updateMe){
+            updateMe += ov(i, j) - aView(i- ov.begin(0), j-ov.begin(1));
+         }, sum);
+
+         ASSERT_EQ(sum, 0) << "deep_copy(offsetView, view) broken.";
+#endif
+      }
+   }
+   template <typename Scalar, typename Device>
+   void test_offsetview_subview(unsigned int size)
+   {
+      {//test subview 1
+          Kokkos::Experimental::OffsetView<Scalar*, Device> sliceMe("offsetToSlice", {-10, 20});
+          {
+             auto offsetSubviewa = Kokkos::Experimental::subview(sliceMe, 0);
+             ASSERT_EQ(offsetSubviewa.Rank, 0) << "subview of offset is broken.";
+          }
+
+       }
+      {//test subview 2
+         Kokkos::Experimental::OffsetView<Scalar**, Device> sliceMe("offsetToSlice", {-10,20}, {-20,30});
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(),-2);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+      }
+
+
+      {//test subview rank 3
+
+         Kokkos::Experimental::OffsetView<Scalar***, Device> sliceMe("offsetToSlice", {-10,20}, {-20,30}, {-30,40});
+
+         //slice 1
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe,Kokkos::ALL(),Kokkos::ALL(), 0);
+            ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe,Kokkos::ALL(), 0,Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
+         }
+
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe,0, Kokkos::ALL(),Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
+
+         }
+         {
+	   auto offsetSubview = Kokkos::Experimental::subview(sliceMe,0, Kokkos::ALL(), Kokkos::make_pair(-30, -21));
+            ASSERT_EQ(offsetSubview.Rank, 2) << "subview of offset is broken.";
+
+            ASSERT_EQ(offsetSubview.begin(0) , -20);
+            ASSERT_EQ(offsetSubview.end(0) , 31);
+            ASSERT_EQ(offsetSubview.begin(1) , 0);
+            ASSERT_EQ(offsetSubview.end(1) , 9);
+
+#if defined(KOKKOS_ENABLE_CUDA_LAMBDA) || !defined(KOKKOS_ENABLE_CUDA)
+            typedef Kokkos::MDRangePolicy<Device, Kokkos::Rank<2>, Kokkos::IndexType<int> > range_type;
+            typedef typename range_type::point_type point_type;
+
+            const int b0 = offsetSubview.begin(0);
+            const int b1 = offsetSubview.begin(1);
+
+            const int e0 = offsetSubview.end(0);
+            const int e1 = offsetSubview.end(1);
+
+            range_type rangeP2D(point_type{ {b0, b1 } }, point_type{ { e0, e1} });
+
+            Kokkos::parallel_for(rangeP2D, KOKKOS_LAMBDA(const int i, const int j) {
+               offsetSubview(i,j) =  6;
+            }
+            );
+
+            int sum = 0;
+             Kokkos::parallel_reduce(rangeP2D, KOKKOS_LAMBDA(const int i, const int j, int & updateMe){
+                updateMe += offsetSubview(i, j);
+             }, sum);
+
+            ASSERT_EQ(sum, 6*(e0-b0)*(e1-b1));
+#endif
+         }
+
+         // slice 2
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, 0);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, 0, 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL(), 0);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+      }
+
+      {//test subview rank 4
+
+         Kokkos::Experimental::OffsetView<Scalar****, Device> sliceMe("offsetToSlice", {-10,20}, {-20,30}, {-30,40}, {-40, 50});
+
+         //slice 1
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(),Kokkos::ALL(), Kokkos::ALL(), 0);
+            ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), Kokkos::ALL(), 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe ,Kokkos::ALL(), 0, Kokkos::ALL(),Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe , 0, Kokkos::ALL(), Kokkos::ALL(),  Kokkos::ALL() );
+            ASSERT_EQ(offsetSubview.Rank, 3) << "subview of offset is broken.";
+         }
+
+         // slice 2
+         auto offsetSubview2a = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), Kokkos::ALL(), 0, 0);
+         ASSERT_EQ(offsetSubview2a.Rank, 2) << "subview of offset is broken.";
+         {
+            auto offsetSubview2b = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, Kokkos::ALL(), 0);
+            ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview2b = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview2b = Kokkos::Experimental::subview(sliceMe,  0, Kokkos::ALL(), 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview2b = Kokkos::Experimental::subview(sliceMe,  0, 0, Kokkos::ALL(), Kokkos::ALL());
+            ASSERT_EQ(offsetSubview2b.Rank, 2) << "subview of offset is broken.";
+         }
+         // slice 3
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, Kokkos::ALL(), 0, 0, 0);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe, 0, Kokkos::ALL(), 0, 0);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe,  0, 0, Kokkos::ALL(), 0);
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+         {
+            auto offsetSubview = Kokkos::Experimental::subview(sliceMe,  0, 0, 0, Kokkos::ALL());
+            ASSERT_EQ(offsetSubview.Rank, 1) << "subview of offset is broken.";
+         }
+
+      }
+
+   }
+
+   TEST_F( TEST_CATEGORY, offsetview_construction) {
+      test_offsetview_construction<int,TEST_EXECSPACE>(10);
+   }
+   TEST_F( TEST_CATEGORY, offsetview_subview) {
+      test_offsetview_subview<int,TEST_EXECSPACE>(10);
+   }
+
+} // namespace Test
+
+#endif /* CONTAINERS_UNIT_TESTS_TESTOFFSETVIEW_HPP_ */
diff --git a/lib/kokkos/containers/unit_tests/TestScatterView.hpp b/lib/kokkos/containers/unit_tests/TestScatterView.hpp
index 106d2cf98d..d402a91b9f 100644
--- a/lib/kokkos/containers/unit_tests/TestScatterView.hpp
+++ b/lib/kokkos/containers/unit_tests/TestScatterView.hpp
@@ -80,7 +80,9 @@ void test_scatter_view_config(int n)
     Kokkos::Experimental::contribute(original_view, scatter_view);
   }
 #if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+  Kokkos::fence();
   auto host_view = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), original_view);
+  Kokkos::fence();
   for (typename decltype(host_view)::size_type i = 0; i < host_view.extent(0); ++i) {
     auto val0 = host_view(i, 0);
     auto val1 = host_view(i, 1);
@@ -111,9 +113,6 @@ struct TestDuplicatedScatterView {
     test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
       Kokkos::Experimental::ScatterDuplicated,
       Kokkos::Experimental::ScatterNonAtomic>(n);
-    test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
-      Kokkos::Experimental::ScatterDuplicated,
-      Kokkos::Experimental::ScatterAtomic>(n);
   }
 };
 
@@ -127,6 +126,16 @@ struct TestDuplicatedScatterView<Kokkos::Cuda> {
 };
 #endif
 
+#ifdef KOKKOS_ENABLE_ROCM
+// disable duplicated instantiation with ROCm until
+// UniqueToken can support it
+template <>
+struct TestDuplicatedScatterView<Kokkos::Experimental::ROCm> {
+  TestDuplicatedScatterView(int) {
+  }
+};
+#endif
+
 template <typename ExecSpace>
 void test_scatter_view(int n)
 {
@@ -142,16 +151,28 @@ void test_scatter_view(int n)
       Kokkos::Experimental::ScatterNonDuplicated,
       Kokkos::Experimental::ScatterNonAtomic>(n);
   }
+#ifdef KOKKOS_ENABLE_SERIAL
+  if (!std::is_same<ExecSpace, Kokkos::Serial>::value) {
+#endif
   test_scatter_view_config<ExecSpace, Kokkos::LayoutRight,
     Kokkos::Experimental::ScatterNonDuplicated,
     Kokkos::Experimental::ScatterAtomic>(n);
+#ifdef KOKKOS_ENABLE_SERIAL
+  }
+#endif
 
   TestDuplicatedScatterView<ExecSpace> duptest(n);
 }
 
 TEST_F( TEST_CATEGORY, scatterview) {
+#ifndef KOKKOS_ENABLE_ROCM
   test_scatter_view<TEST_EXECSPACE>(10);
+#ifdef KOKKOS_ENABLE_DEBUG
+  test_scatter_view<TEST_EXECSPACE>(100000);
+#else
   test_scatter_view<TEST_EXECSPACE>(10000000);
+#endif
+#endif
 }
 
 } // namespace Test
diff --git a/lib/kokkos/containers/unit_tests/TestStaticCrsGraph.hpp b/lib/kokkos/containers/unit_tests/TestStaticCrsGraph.hpp
index 06d7ed8246..7ba307079f 100644
--- a/lib/kokkos/containers/unit_tests/TestStaticCrsGraph.hpp
+++ b/lib/kokkos/containers/unit_tests/TestStaticCrsGraph.hpp
@@ -46,6 +46,7 @@
 #include <vector>
 
 #include <Kokkos_StaticCrsGraph.hpp>
+#include <Kokkos_Core.hpp>
 
 /*--------------------------------------------------------------------------*/
 namespace Test {
diff --git a/lib/kokkos/containers/unit_tests/cuda/TestCuda_OffsetView.cpp b/lib/kokkos/containers/unit_tests/cuda/TestCuda_OffsetView.cpp
new file mode 100644
index 0000000000..546f6d603a
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/cuda/TestCuda_OffsetView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<cuda/TestCuda_Category.hpp>
+#include<TestOffsetView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/openmp/TestOpenMP_OffsetView.cpp b/lib/kokkos/containers/unit_tests/openmp/TestOpenMP_OffsetView.cpp
new file mode 100644
index 0000000000..169dae3212
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/openmp/TestOpenMP_OffsetView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<openmp/TestOpenMP_Category.hpp>
+#include<TestOffsetView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/rocm/TestROCm_Category.hpp b/lib/kokkos/containers/unit_tests/rocm/TestROCm_Category.hpp
index 555ddd6bdf..d520bbc5a7 100644
--- a/lib/kokkos/containers/unit_tests/rocm/TestROCm_Category.hpp
+++ b/lib/kokkos/containers/unit_tests/rocm/TestROCm_Category.hpp
@@ -60,6 +60,6 @@ protected:
 } // namespace Test
 
 #define TEST_CATEGORY rocm
-#define TEST_EXECSPACE Kokkos::ROCm
+#define TEST_EXECSPACE Kokkos::Experimental::ROCm
 
 #endif
diff --git a/lib/kokkos/containers/unit_tests/serial/TestSerial_OffsetView.cpp b/lib/kokkos/containers/unit_tests/serial/TestSerial_OffsetView.cpp
new file mode 100644
index 0000000000..fadd748efb
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/serial/TestSerial_OffsetView.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<serial/TestSerial_Category.hpp>
+#include<TestOffsetView.hpp>
+
diff --git a/lib/kokkos/containers/unit_tests/threads/TestThreads_OffsetView.cpp b/lib/kokkos/containers/unit_tests/threads/TestThreads_OffsetView.cpp
new file mode 100644
index 0000000000..d1eaa265e3
--- /dev/null
+++ b/lib/kokkos/containers/unit_tests/threads/TestThreads_OffsetView.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<threads/TestThreads_Category.hpp>
+#include<TestOffsetView.hpp>
+
diff --git a/lib/kokkos/core/src/CMakeLists.txt b/lib/kokkos/core/src/CMakeLists.txt
index eb02616703..ab7f3f55c7 100644
--- a/lib/kokkos/core/src/CMakeLists.txt
+++ b/lib/kokkos/core/src/CMakeLists.txt
@@ -108,3 +108,7 @@ else()
 
 endif()
 #-----------------------------------------------------------------------------
+
+# build and install pkgconfig file
+CONFIGURE_FILE(kokkos.pc.in kokkos.pc @ONLY)
+INSTALL(FILES ${CMAKE_CURRENT_BINARY_DIR}/kokkos.pc DESTINATION lib/pkgconfig)
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp b/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp
index ada3f64fe1..c31b7f5b5d 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp
@@ -208,7 +208,7 @@ struct CudaParallelLaunch< DriverType
                     , const int          shmem
                     , const cudaStream_t stream = 0 )
   {
-    if ( grid.x && ( block.x * block.y * block.z ) ) {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
 
       if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
            sizeof( DriverType ) ) {
@@ -264,7 +264,7 @@ struct CudaParallelLaunch< DriverType
                     , const int          shmem
                     , const cudaStream_t stream = 0 )
   {
-    if ( grid.x && ( block.x * block.y * block.z ) ) {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
 
       if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
            sizeof( DriverType ) ) {
@@ -321,7 +321,7 @@ struct CudaParallelLaunch< DriverType
                     , const int          shmem
                     , const cudaStream_t stream = 0 )
   {
-    if ( grid.x && ( block.x * block.y * block.z ) ) {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
 
       if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
            sizeof( DriverType ) ) {
@@ -370,7 +370,7 @@ struct CudaParallelLaunch< DriverType
                     , const int          shmem
                     , const cudaStream_t stream = 0 )
   {
-    if ( grid.x && ( block.x * block.y * block.z ) ) {
+    if ( (grid.x != 0) && ( ( block.x * block.y * block.z ) != 0 ) ) {
 
       if ( sizeof( Kokkos::Impl::CudaTraits::ConstantGlobalBufferType ) <
            sizeof( DriverType ) ) {
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp b/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
index 302cf13d47..4fa4609968 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp
@@ -453,6 +453,8 @@ SharedAllocationRecord( const Kokkos::CudaSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  header.m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 
   // Copy to device memory
   Kokkos::Impl::DeepCopy<CudaSpace,HostSpace>( RecordBase::m_alloc_ptr , & header , sizeof(SharedAllocationHeader) );
@@ -491,6 +493,9 @@ SharedAllocationRecord( const Kokkos::CudaUVMSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+
+  // Set last element zero, in case c_str is too long
+  RecordBase::m_alloc_ptr->m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 }
 
 SharedAllocationRecord< Kokkos::CudaHostPinnedSpace , void >::
@@ -525,6 +530,8 @@ SharedAllocationRecord( const Kokkos::CudaHostPinnedSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  RecordBase::m_alloc_ptr->m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp
index 8249da6a80..16952a3ae4 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp
@@ -689,9 +689,13 @@ Cuda::size_type cuda_internal_multiprocessor_count()
 
 CudaSpace::size_type cuda_internal_maximum_concurrent_block_count()
 {
+  #if defined(KOKKOS_ARCH_KEPLER)
+  // Compute capability 3.0 through 3.7
+  enum : int { max_resident_blocks_per_multiprocessor = 16 };
+  #else
   // Compute capability 5.0 through 6.2
   enum : int { max_resident_blocks_per_multiprocessor = 32 };
-
+  #endif
    return CudaInternal::singleton().m_multiProcCount
           * max_resident_blocks_per_multiprocessor ;
 };
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp
index 31f405dd84..145d93ed76 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp
@@ -52,22 +52,22 @@
 
 namespace Kokkos { namespace Impl {
 
-template<class DriverType, bool Large>
+template<class DriverType, class LaunchBounds, bool Large>
 struct CudaGetMaxBlockSize;
 
-template<class DriverType, bool Large = (CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>
+template<class DriverType, class LaunchBounds>
 int cuda_get_max_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
-  return CudaGetMaxBlockSize<DriverType,Large>::get_block_size(f,vector_length, shmem_extra_block,shmem_extra_thread);
+  return CudaGetMaxBlockSize<DriverType,LaunchBounds,(CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>::get_block_size(f,vector_length, shmem_extra_block,shmem_extra_thread);
 }
 
 
 template<class DriverType>
-struct CudaGetMaxBlockSize<DriverType,true> {
+struct CudaGetMaxBlockSize<DriverType,Kokkos::LaunchBounds<>,true> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int numBlocks;
-    int blockSize=32;
+    int blockSize=1024;
     int sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
                     FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
     cudaOccupancyMaxActiveBlocksPerMultiprocessor(
@@ -76,8 +76,9 @@ struct CudaGetMaxBlockSize<DriverType,true> {
         blockSize,
         sharedmem);
 
-    while (blockSize<1024 && numBlocks>0) {
-      blockSize*=2;
+    if(numBlocks>0) return blockSize;
+    while (blockSize>32 && numBlocks==0) {
+      blockSize/=2;
       sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
                   FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
 
@@ -87,19 +88,30 @@ struct CudaGetMaxBlockSize<DriverType,true> {
           blockSize,
           sharedmem);
     }
-    if(numBlocks>0) return blockSize;
-    else return blockSize/2;
+    int blockSizeUpperBound = blockSize*2;
+    while (blockSize<blockSizeUpperBound && numBlocks>0) {
+      blockSize+=32;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+            &numBlocks,
+            cuda_parallel_launch_constant_memory<DriverType>,
+            blockSize,
+            sharedmem);
+    }
+    return blockSize - 32;
   }
 };
 
 template<class DriverType>
-struct CudaGetMaxBlockSize<DriverType,false> {
+struct CudaGetMaxBlockSize<DriverType,Kokkos::LaunchBounds<>,false> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int numBlocks;
 
-    int blockSize=32;
-    int sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+    unsigned int blockSize=1024;
+    unsigned int sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
                     FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
     cudaOccupancyMaxActiveBlocksPerMultiprocessor(
         &numBlocks,
@@ -107,8 +119,9 @@ struct CudaGetMaxBlockSize<DriverType,false> {
         blockSize,
         sharedmem);
 
-    while (blockSize<1024 && numBlocks>0) {
-      blockSize*=2;
+    if(numBlocks>0) return blockSize;
+    while (blockSize>32 && numBlocks==0) {
+      blockSize/=2;
       sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
                   FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
 
@@ -118,24 +131,121 @@ struct CudaGetMaxBlockSize<DriverType,false> {
           blockSize,
           sharedmem);
     }
-    if(numBlocks>0) return blockSize;
-    else return blockSize/2;
+    unsigned int blockSizeUpperBound = blockSize*2;
+    while (blockSize<blockSizeUpperBound && numBlocks>0) {
+      blockSize+=32;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+            &numBlocks,
+            cuda_parallel_launch_local_memory<DriverType>,
+            blockSize,
+            sharedmem);
+    }
+    return blockSize - 32;
+  }
+};
+
+template<class DriverType, unsigned int MaxThreadsPerBlock, unsigned int MinBlocksPerSM>
+struct CudaGetMaxBlockSize<DriverType,Kokkos::LaunchBounds<MaxThreadsPerBlock,MinBlocksPerSM>,true> {
+  static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
+                            const size_t shmem_extra_block, const size_t shmem_extra_thread) {
+    int numBlocks = 0, oldNumBlocks = 0;
+    unsigned int blockSize=MaxThreadsPerBlock;
+    unsigned int sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                    FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+    cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+        &numBlocks,
+        cuda_parallel_launch_constant_memory<DriverType,MaxThreadsPerBlock,MinBlocksPerSM>,
+        blockSize,
+        sharedmem);
+
+    if(static_cast<unsigned int>(numBlocks)>=MinBlocksPerSM) return blockSize;
+
+    while (blockSize>32 && static_cast<unsigned int>(numBlocks)<MinBlocksPerSM) {
+      blockSize/=2;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+          &numBlocks,
+          cuda_parallel_launch_constant_memory<DriverType>,
+          blockSize,
+          sharedmem);
+    }
+    unsigned int blockSizeUpperBound = (blockSize*2<MaxThreadsPerBlock?blockSize*2:MaxThreadsPerBlock);
+    while (blockSize<blockSizeUpperBound && static_cast<unsigned int>(numBlocks)>MinBlocksPerSM) {
+      blockSize+=32;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+      oldNumBlocks = numBlocks;
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+            &numBlocks,
+            cuda_parallel_launch_constant_memory<DriverType>,
+            blockSize,
+            sharedmem);
+    }
+    if(static_cast<unsigned int>(oldNumBlocks)>=MinBlocksPerSM) return blockSize - 32;
+    return -1;
+  }
+};
+
+template<class DriverType, unsigned int MaxThreadsPerBlock, unsigned int MinBlocksPerSM>
+struct CudaGetMaxBlockSize<DriverType,Kokkos::LaunchBounds<MaxThreadsPerBlock,MinBlocksPerSM>,false> {
+  static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
+                            const size_t shmem_extra_block, const size_t shmem_extra_thread) {
+    int numBlocks = 0, oldNumBlocks = 0;
+    unsigned int blockSize=MaxThreadsPerBlock;
+    int sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                    FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+    cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+        &numBlocks,
+        cuda_parallel_launch_local_memory<DriverType,MaxThreadsPerBlock,MinBlocksPerSM>,
+        blockSize,
+        sharedmem);
+    if(static_cast<unsigned int>(numBlocks)>=MinBlocksPerSM) return blockSize;
+
+    while (blockSize>32 && static_cast<unsigned int>(numBlocks)<MinBlocksPerSM) {
+      blockSize/=2;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+          &numBlocks,
+          cuda_parallel_launch_local_memory<DriverType>,
+          blockSize,
+          sharedmem);
+    }
+    unsigned int blockSizeUpperBound = (blockSize*2<MaxThreadsPerBlock?blockSize*2:MaxThreadsPerBlock);
+    while (blockSize<blockSizeUpperBound && static_cast<unsigned int>(numBlocks)>=MinBlocksPerSM) {
+      blockSize+=32;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+      oldNumBlocks = numBlocks;
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+            &numBlocks,
+            cuda_parallel_launch_local_memory<DriverType>,
+            blockSize,
+            sharedmem);
+    }
+    if(static_cast<unsigned int>(oldNumBlocks)>=MinBlocksPerSM) return blockSize - 32;
+    return -1;
   }
 };
 
 
-
-template<class DriverType, bool Large>
+template<class DriverType, class LaunchBounds, bool Large>
 struct CudaGetOptBlockSize;
 
-template<class DriverType, bool Large = (CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>
+template<class DriverType, class LaunchBounds>
 int cuda_get_opt_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
-  return CudaGetOptBlockSize<DriverType,Large>::get_block_size(f,vector_length,shmem_extra_block,shmem_extra_thread);
+  return CudaGetOptBlockSize<DriverType,LaunchBounds,(CudaTraits::ConstantMemoryUseThreshold < sizeof(DriverType))>::get_block_size(f,vector_length,shmem_extra_block,shmem_extra_thread);
 }
 
 template<class DriverType>
-struct CudaGetOptBlockSize<DriverType,true> {
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,true> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int blockSize=16;
@@ -165,7 +275,7 @@ struct CudaGetOptBlockSize<DriverType,true> {
 };
 
 template<class DriverType>
-struct CudaGetOptBlockSize<DriverType,false> {
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds<>,false> {
   static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
                             const size_t shmem_extra_block, const size_t shmem_extra_thread) {
     int blockSize=16;
@@ -194,6 +304,75 @@ struct CudaGetOptBlockSize<DriverType,false> {
   }
 };
 
+template<class DriverType, unsigned int MaxThreadsPerBlock, unsigned int MinBlocksPerSM>
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds< MaxThreadsPerBlock, MinBlocksPerSM >,true> {
+  static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
+                            const size_t shmem_extra_block, const size_t shmem_extra_thread) {
+    int blockSize=16;
+    int numBlocks;
+    int sharedmem;
+    int maxOccupancy=0;
+    int bestBlockSize=0;
+    int max_threads_per_block = std::min(MaxThreadsPerBlock,cuda_internal_maximum_warp_count()*CudaTraits::WarpSize);
+
+    while(blockSize < max_threads_per_block ) {
+      blockSize*=2;
+
+      //calculate the occupancy with that optBlockSize and check whether its larger than the largest one found so far
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+              &numBlocks,
+              cuda_parallel_launch_constant_memory<DriverType,MaxThreadsPerBlock,MinBlocksPerSM>,
+              blockSize,
+              sharedmem);
+      if(numBlocks >= int(MinBlocksPerSM) && blockSize<=int(MaxThreadsPerBlock)) {
+        if(maxOccupancy < numBlocks*blockSize) {
+           maxOccupancy = numBlocks*blockSize;
+           bestBlockSize = blockSize;
+        }
+      }
+    }
+    if(maxOccupancy > 0)
+      return bestBlockSize;
+    return -1;
+  }
+};
+
+template<class DriverType, unsigned int MaxThreadsPerBlock, unsigned int MinBlocksPerSM>
+struct CudaGetOptBlockSize<DriverType,Kokkos::LaunchBounds< MaxThreadsPerBlock, MinBlocksPerSM >,false> {
+  static int get_block_size(const typename DriverType::functor_type & f, const size_t vector_length,
+                            const size_t shmem_extra_block, const size_t shmem_extra_thread) {
+    int blockSize=16;
+    int numBlocks;
+    int sharedmem;
+    int maxOccupancy=0;
+    int bestBlockSize=0;
+    int max_threads_per_block = std::min(MaxThreadsPerBlock,cuda_internal_maximum_warp_count()*CudaTraits::WarpSize);
+
+    while(blockSize < max_threads_per_block ) {
+      blockSize*=2;
+      sharedmem = shmem_extra_block + shmem_extra_thread*(blockSize/vector_length) +
+                  FunctorTeamShmemSize< typename DriverType::functor_type  >::value( f , blockSize/vector_length );
+
+      cudaOccupancyMaxActiveBlocksPerMultiprocessor(
+              &numBlocks,
+              cuda_parallel_launch_local_memory<DriverType,MaxThreadsPerBlock,MinBlocksPerSM>,
+              blockSize,
+              sharedmem);
+      if(numBlocks >= int(MinBlocksPerSM) && blockSize<=int(MaxThreadsPerBlock)) {
+        if(maxOccupancy < numBlocks*blockSize) {
+          maxOccupancy = numBlocks*blockSize;
+          bestBlockSize = blockSize;
+        }
+      }
+    }
+    if(maxOccupancy > 0)
+      return bestBlockSize;
+    return -1;
+  }
+};
+
 }} // namespace Kokkos::Impl
 
 #endif // KOKKOS_ENABLE_CUDA
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Locks.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Locks.hpp
index 80192bf338..8363a45662 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Locks.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Locks.hpp
@@ -148,6 +148,9 @@ namespace Kokkos {
 namespace Impl {
 namespace {
   static int lock_array_copied = 0;
+  inline int eliminate_warning_for_lock_array() {
+    return lock_array_copied;
+  }
 }
 }
 }
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
index eac4abac1b..2ae1cc0ddd 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp
@@ -60,6 +60,7 @@
 #include <Cuda/Kokkos_Cuda_Internal.hpp>
 #include <Cuda/Kokkos_Cuda_Locks.hpp>
 #include <Kokkos_Vectorization.hpp>
+#include <Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp>
 
 #if defined(KOKKOS_ENABLE_PROFILING)
 #include <impl/Kokkos_Profiling_Interface.hpp>
@@ -114,6 +115,7 @@ public:
 
   //----------------------------------------
 
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
   inline static
   int team_size_max( const FunctorType & functor )
@@ -131,7 +133,35 @@ public:
 
       return n ;
     }
+#endif
 
+  template<class FunctorType>
+  int team_size_max( const FunctorType& f, const ParallelForTag& ) const {
+    typedef Impl::ParallelFor< FunctorType , TeamPolicy<Properties...> > closure_type;
+    int block_size = Kokkos::Impl::cuda_get_max_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+        (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) );
+    return block_size/vector_length();
+  }
+
+  template<class FunctorType>
+  int team_size_max( const FunctorType& f, const ParallelReduceTag& ) const {
+    typedef Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,TeamPolicyInternal,FunctorType> functor_analysis_type;
+    typedef typename Impl::ParallelReduceReturnValue<void,typename functor_analysis_type::value_type,FunctorType>::reducer_type reducer_type;
+    typedef Impl::ParallelReduce< FunctorType , TeamPolicy<Properties...>, reducer_type > closure_type;
+    typedef Impl::FunctorValueTraits< FunctorType , typename traits::work_tag > functor_value_traits;
+
+    int block_size = Kokkos::Impl::cuda_get_max_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+        (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) +
+                                                          ((functor_value_traits::StaticValueSize!=0)?0:functor_value_traits::value_size( f )));
+
+    // Currently we require Power-of-2 team size for reductions.
+    int p2 = 1;
+    while(p2<=block_size) p2*=2;
+    p2/=2;
+    return p2/vector_length();
+  }
+
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
   static int team_size_recommended( const FunctorType & functor )
     { return team_size_max( functor ); }
@@ -143,11 +173,41 @@ public:
       if(max<1) max = 1;
       return max;
     }
+#endif
+
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType& f, const ParallelForTag& ) const {
+    typedef Impl::ParallelFor< FunctorType , TeamPolicy<Properties...> > closure_type;
+    int block_size = Kokkos::Impl::cuda_get_opt_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+        (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double));
+    return block_size/vector_length();
+  }
+
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType& f, const ParallelReduceTag& ) const {
+    typedef Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,TeamPolicyInternal,FunctorType> functor_analysis_type;
+    typedef typename Impl::ParallelReduceReturnValue<void,typename functor_analysis_type::value_type,FunctorType>::reducer_type reducer_type;
+    typedef Impl::ParallelReduce< FunctorType , TeamPolicy<Properties...>, reducer_type > closure_type;
+    typedef Impl::FunctorValueTraits< FunctorType , typename traits::work_tag > functor_value_traits;
+
+    int block_size = Kokkos::Impl::cuda_get_opt_block_size< closure_type, typename traits::launch_bounds >( f ,(size_t) vector_length(),
+        (size_t) team_scratch_size(0) + 2*sizeof(double), (size_t) thread_scratch_size(0) + sizeof(double) +
+                                                          ((functor_value_traits::StaticValueSize!=0)?0:functor_value_traits::value_size( f )));
+    return block_size/vector_length();
+  }
+
 
   inline static
   int vector_length_max()
     { return Impl::CudaTraits::WarpSize; }
 
+  inline static
+  int scratch_size_max(int level)
+    { return (level==0?
+        1024*40:             // 48kB is the max for CUDA, but we need some for team_member.reduce etc.
+        20*1024*1024);   // arbitrarily setting this to 20MB, for a Volta V100 that would give us about 3.2GB for 2 teams per SM
+    }
+
   //----------------------------------------
 
   inline int vector_length()   const { return m_vector_length ; }
@@ -419,7 +479,7 @@ public:
   void execute() const
     {
       const typename Policy::index_type nwork = m_policy.end() - m_policy.begin();
-      const int block_size = Kokkos::Impl::cuda_get_opt_block_size< ParallelFor >( m_functor , 1, 0 , 0 );
+      const int block_size = Kokkos::Impl::cuda_get_opt_block_size< ParallelFor, LaunchBounds>( m_functor , 1, 0 , 0 );
       const dim3 block(  1 , block_size , 1);
       const dim3 grid( std::min( typename Policy::index_type(( nwork + block.y - 1 ) / block.y) , typename Policy::index_type(cuda_internal_maximum_grid_count()) ) , 1 , 1);
 
@@ -654,7 +714,7 @@ public:
     : m_functor( arg_functor )
     , m_league_size( arg_policy.league_size() )
     , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelFor >( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length() )
+        Kokkos::Impl::cuda_get_opt_block_size< ParallelFor, LaunchBounds >( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length() )
     , m_vector_size( arg_policy.vector_length() )
     , m_shmem_begin( sizeof(double) * ( m_team_size + 2 ) )
     , m_shmem_size( arg_policy.scratch_size(0,m_team_size) + FunctorTeamShmemSize< FunctorType >::value( m_functor , m_team_size ) )
@@ -670,7 +730,7 @@ public:
       }
 
       if ( int(m_team_size) >
-           int(Kokkos::Impl::cuda_get_max_block_size< ParallelFor >
+           int(Kokkos::Impl::cuda_get_max_block_size< ParallelFor, LaunchBounds >
                  ( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length())) {
         Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelFor< Cuda > requested too large team size."));
       }
@@ -725,12 +785,13 @@ public:
   const Policy        m_policy ;
   const ReducerType   m_reducer ;
   const pointer_type  m_result_ptr ;
+  const bool          m_result_ptr_device_accessible ;
   size_type *         m_scratch_space ;
   size_type *         m_scratch_flags ;
   size_type *         m_unified_space ;
 
-  // Shall we use the shfl based reduction or not (only use it for static sized types of more than 128bit
-  enum { UseShflReduction = ((sizeof(value_type)>2*sizeof(double)) && ValueTraits::StaticValueSize) };
+  // Shall we use the shfl based reduction or not (only use it for static sized types of more than 128bit)
+  enum { UseShflReduction = false };//((sizeof(value_type)>2*sizeof(double)) && ValueTraits::StaticValueSize) };
   // Some crutch to do function overloading
 private:
   typedef double DummyShflReductionType;
@@ -752,12 +813,12 @@ public:
 
   __device__ inline
   void operator() () const {
-    run(Kokkos::Impl::if_c<UseShflReduction, DummyShflReductionType, DummySHMEMReductionType>::select(1,1.0) );
+/*    run(Kokkos::Impl::if_c<UseShflReduction, DummyShflReductionType, DummySHMEMReductionType>::select(1,1.0) );
   }
 
   __device__ inline
   void run(const DummySHMEMReductionType& ) const
-  {
+  {*/
     const integral_nonzero_constant< size_type , ValueTraits::StaticValueSize / sizeof(size_type) >
       word_count( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) / sizeof(size_type) );
 
@@ -786,7 +847,8 @@ public:
       // This is the final block with the final result at the final threads' location
 
       size_type * const shared = kokkos_impl_cuda_shared_memory<size_type>() + ( blockDim.y - 1 ) * word_count.value ;
-      size_type * const global = m_unified_space ? m_unified_space : m_scratch_space ;
+      size_type * const global = m_result_ptr_device_accessible? reinterpret_cast<size_type*>(m_result_ptr) : 
+                                 ( m_unified_space ? m_unified_space : m_scratch_space );
 
       if ( threadIdx.y == 0 ) {
         Kokkos::Impl::FunctorFinal< ReducerTypeFwd , WorkTagFwd >::final( ReducerConditional::select(m_functor , m_reducer) , shared );
@@ -798,10 +860,9 @@ public:
     }
   }
 
-  __device__ inline
+/*  __device__ inline
    void run(const DummyShflReductionType&) const
    {
-
      value_type value;
      ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , &value);
      // Number of blocks is bounded so that the reduction can be limited to two passes.
@@ -832,7 +893,7 @@ public:
          *result = value;
        }
      }
-   }
+   }*/
 
   // Determine block size constrained by shared memory:
   static inline
@@ -863,16 +924,18 @@ public:
 
       CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
 
-      Cuda::fence();
+      if(!m_result_ptr_device_accessible) {
+        Cuda::fence();
 
-      if ( m_result_ptr ) {
-        if ( m_unified_space ) {
-          const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer)  );
-          for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
-        }
-        else {
-          const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
-          DeepCopy<HostSpace,CudaSpace>( m_result_ptr , m_scratch_space , size );
+        if ( m_result_ptr ) {
+          if ( m_unified_space ) {
+            const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer)  );
+            for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
+          }
+          else {
+            const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
+            DeepCopy<HostSpace,CudaSpace>( m_result_ptr , m_scratch_space , size );
+          }
         }
       }
     }
@@ -883,17 +946,18 @@ public:
     }
   }
 
-  template< class HostViewType >
+  template< class ViewType >
   ParallelReduce( const FunctorType  & arg_functor
                 , const Policy       & arg_policy
-                , const HostViewType & arg_result
+                , const ViewType & arg_result
                 , typename std::enable_if<
-                   Kokkos::is_view< HostViewType >::value
+                   Kokkos::is_view< ViewType >::value
                 ,void*>::type = NULL)
   : m_functor( arg_functor )
   , m_policy(  arg_policy )
   , m_reducer( InvalidType() )
   , m_result_ptr( arg_result.data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ViewType::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -906,6 +970,7 @@ public:
   , m_policy(  arg_policy )
   , m_reducer( reducer )
   , m_result_ptr( reducer.view().data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ReducerType::result_view_type::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -953,6 +1018,7 @@ public:
   const Policy        m_policy ; // used for workrange and nwork
   const ReducerType   m_reducer ;
   const pointer_type  m_result_ptr ;
+  const bool          m_result_ptr_device_accessible ;
   size_type *         m_scratch_space ;
   size_type *         m_scratch_flags ;
   size_type *         m_unified_space ;
@@ -960,7 +1026,7 @@ public:
   typedef typename Kokkos::Impl::Reduce::DeviceIterateTile<Policy::rank, Policy, FunctorType, typename Policy::work_tag, reference_type> DeviceIteratePattern;
 
   // Shall we use the shfl based reduction or not (only use it for static sized types of more than 128bit
-  enum { UseShflReduction = ((sizeof(value_type)>2*sizeof(double)) && ValueTraits::StaticValueSize) };
+  enum { UseShflReduction = ((sizeof(value_type)>2*sizeof(double)) && (ValueTraits::StaticValueSize!=0)) };
   // Some crutch to do function overloading
 private:
   typedef double DummyShflReductionType;
@@ -978,12 +1044,12 @@ public:
   inline
   __device__
   void operator() (void) const {
-    run(Kokkos::Impl::if_c<UseShflReduction, DummyShflReductionType, DummySHMEMReductionType>::select(1,1.0) );
+/*    run(Kokkos::Impl::if_c<UseShflReduction, DummyShflReductionType, DummySHMEMReductionType>::select(1,1.0) );
   }
 
   __device__ inline
   void run(const DummySHMEMReductionType& ) const
-  {
+  {*/
     const integral_nonzero_constant< size_type , ValueTraits::StaticValueSize / sizeof(size_type) >
       word_count( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) / sizeof(size_type) );
 
@@ -1007,7 +1073,8 @@ public:
 
       // This is the final block with the final result at the final threads' location
       size_type * const shared = kokkos_impl_cuda_shared_memory<size_type>() + ( blockDim.y - 1 ) * word_count.value ;
-      size_type * const global = m_unified_space ? m_unified_space : m_scratch_space ;
+      size_type * const global = m_result_ptr_device_accessible? reinterpret_cast<size_type*>(m_result_ptr) :
+                                 ( m_unified_space ? m_unified_space : m_scratch_space );
 
       if ( threadIdx.y == 0 ) {
         Kokkos::Impl::FunctorFinal< ReducerTypeFwd , WorkTagFwd >::final( ReducerConditional::select(m_functor , m_reducer) , shared );
@@ -1019,7 +1086,7 @@ public:
     }
   }
 
-  __device__ inline
+/*  __device__ inline
    void run(const DummyShflReductionType&) const
    {
 
@@ -1051,7 +1118,7 @@ public:
        }
      }
    }
-
+*/
   // Determine block size constrained by shared memory:
   static inline
   unsigned local_block_size( const FunctorType & f )
@@ -1089,16 +1156,18 @@ public:
 
       CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
 
-      Cuda::fence();
+      if(!m_result_ptr_device_accessible) {
+        Cuda::fence();
 
-      if ( m_result_ptr ) {
-        if ( m_unified_space ) {
-          const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer)  );
-          for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
-        }
-        else {
-          const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
-          DeepCopy<HostSpace,CudaSpace>( m_result_ptr , m_scratch_space , size );
+        if ( m_result_ptr ) {
+          if ( m_unified_space ) {
+            const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer)  );
+            for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
+          }
+          else {
+            const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
+            DeepCopy<HostSpace,CudaSpace>( m_result_ptr , m_scratch_space , size );
+          }
         }
       }
     }
@@ -1109,17 +1178,18 @@ public:
     }
   }
 
-  template< class HostViewType >
+  template< class ViewType >
   ParallelReduce( const FunctorType  & arg_functor
                 , const Policy       & arg_policy
-                , const HostViewType & arg_result
+                , const ViewType & arg_result
                 , typename std::enable_if<
-                   Kokkos::is_view< HostViewType >::value
+                   Kokkos::is_view< ViewType >::value
                 ,void*>::type = NULL)
   : m_functor( arg_functor )
   , m_policy(  arg_policy )
   , m_reducer( InvalidType() )
   , m_result_ptr( arg_result.data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ViewType::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -1132,6 +1202,7 @@ public:
   , m_policy(  arg_policy )
   , m_reducer( reducer )
   , m_result_ptr( reducer.view().data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ReducerType::result_view_type::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -1174,7 +1245,7 @@ public:
   typedef FunctorType      functor_type ;
   typedef Cuda::size_type  size_type ;
 
-  enum { UseShflReduction = (true && ValueTraits::StaticValueSize) };
+  enum { UseShflReduction = (true && (ValueTraits::StaticValueSize!=0)) };
 
 private:
   typedef double DummyShflReductionType;
@@ -1191,6 +1262,7 @@ private:
   const FunctorType   m_functor ;
   const ReducerType   m_reducer ;
   const pointer_type  m_result_ptr ;
+  const bool          m_result_ptr_device_accessible ;
   size_type *         m_scratch_space ;
   size_type *         m_scratch_flags ;
   size_type *         m_unified_space ;
@@ -1279,7 +1351,8 @@ public:
       // This is the final block with the final result at the final threads' location
 
       size_type * const shared = kokkos_impl_cuda_shared_memory<size_type>() + ( blockDim.y - 1 ) * word_count.value ;
-      size_type * const global = m_unified_space ? m_unified_space : m_scratch_space ;
+      size_type * const global = m_result_ptr_device_accessible? reinterpret_cast<size_type*>(m_result_ptr) :
+                                 ( m_unified_space ? m_unified_space : m_scratch_space );
 
       if ( threadIdx.y == 0 ) {
         Kokkos::Impl::FunctorFinal< ReducerTypeFwd , WorkTagFwd >::final( ReducerConditional::select(m_functor , m_reducer) , shared );
@@ -1312,12 +1385,18 @@ public:
         , value );
     }
 
-    pointer_type const result = (pointer_type) (m_unified_space ? m_unified_space : m_scratch_space) ;
+    pointer_type const result = m_result_ptr_device_accessible? m_result_ptr :
+                                (pointer_type) ( m_unified_space ? m_unified_space : m_scratch_space );
 
     value_type init;
     ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , &init);
-    if(Impl::cuda_inter_block_reduction<FunctorType,ValueJoin,WorkTag>
-           (value,init,ValueJoin(ReducerConditional::select(m_functor , m_reducer)),m_scratch_space,result,m_scratch_flags,blockDim.y)) {
+    if(
+        Impl::cuda_inter_block_reduction<FunctorType,ValueJoin,WorkTag>
+           (value,init,ValueJoin(ReducerConditional::select(m_functor , m_reducer)),m_scratch_space,result,m_scratch_flags,blockDim.y)
+        //This breaks a test
+        //   Kokkos::Impl::CudaReductionsFunctor<FunctorType,WorkTag,false,true>::scalar_inter_block_reduction(ReducerConditional::select(m_functor , m_reducer) , blockIdx.x , gridDim.x ,
+        //              kokkos_impl_cuda_shared_memory<size_type>() , m_scratch_space , m_scratch_flags)
+    ) {
       const unsigned id = threadIdx.y*blockDim.x + threadIdx.x;
       if(id==0) {
         Kokkos::Impl::FunctorFinal< ReducerTypeFwd , WorkTagFwd >::final( ReducerConditional::select(m_functor , m_reducer) , (void*) &value );
@@ -1331,7 +1410,7 @@ public:
     {
       const int nwork = m_league_size * m_team_size ;
       if ( nwork ) {
-        const int block_count = UseShflReduction? std::min( m_league_size , size_type(1024) )
+        const int block_count = UseShflReduction? std::min( m_league_size , size_type(1024*32) )
           :std::min( m_league_size , m_team_size );
 
         m_scratch_space = cuda_internal_scratch_space( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_count );
@@ -1344,16 +1423,18 @@ public:
 
         CudaParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem_size_total ); // copy to device and execute
 
-        Cuda::fence();
+        if(!m_result_ptr_device_accessible) {
+          Cuda::fence();
 
-        if ( m_result_ptr ) {
-          if ( m_unified_space ) {
-            const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer) );
-            for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
-          }
-          else {
-            const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) );
-            DeepCopy<HostSpace,CudaSpace>( m_result_ptr, m_scratch_space, size );
+          if ( m_result_ptr ) {
+            if ( m_unified_space ) {
+              const int count = ValueTraits::value_count( ReducerConditional::select(m_functor , m_reducer) );
+              for ( int i = 0 ; i < count ; ++i ) { m_result_ptr[i] = pointer_type(m_unified_space)[i] ; }
+            }
+            else {
+              const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) );
+              DeepCopy<HostSpace,CudaSpace>( m_result_ptr, m_scratch_space, size );
+            }
           }
         }
       }
@@ -1364,16 +1445,17 @@ public:
       }
     }
 
-  template< class HostViewType >
+  template< class ViewType >
   ParallelReduce( const FunctorType  & arg_functor
                 , const Policy       & arg_policy
-                , const HostViewType & arg_result
+                , const ViewType & arg_result
                 , typename std::enable_if<
-                                   Kokkos::is_view< HostViewType >::value
+                                   Kokkos::is_view< ViewType >::value
                                 ,void*>::type = NULL)
   : m_functor( arg_functor )
   , m_reducer( InvalidType() )
   , m_result_ptr( arg_result.data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ViewType::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -1383,17 +1465,17 @@ public:
   , m_scratch_ptr{NULL,NULL}
   , m_scratch_size{
     arg_policy.scratch_size(0,( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce >( arg_functor , arg_policy.vector_length(),
+        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
                                                                  arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
                                                                  arg_policy.vector_length() )
     ), arg_policy.scratch_size(1,( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce >( arg_functor , arg_policy.vector_length(),
+        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
                                                                  arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
                                                                  arg_policy.vector_length() )
         )}
   , m_league_size( arg_policy.league_size() )
   , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce >( arg_functor , arg_policy.vector_length(),
+      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
                                                                arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
                                                                arg_policy.vector_length() )
   , m_vector_size( arg_policy.vector_length() )
@@ -1430,9 +1512,7 @@ public:
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > requested too much L0 scratch memory"));
     }
 
-    if ( unsigned(m_team_size) >
-         unsigned(Kokkos::Impl::cuda_get_max_block_size< ParallelReduce >
-               ( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length())) {
+    if ( int(m_team_size) > arg_policy.team_size_max(m_functor,ParallelReduceTag()) ) {
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > requested too large team size."));
     }
 
@@ -1444,6 +1524,7 @@ public:
   : m_functor( arg_functor )
   , m_reducer( reducer )
   , m_result_ptr( reducer.view().data() )
+  , m_result_ptr_device_accessible(MemorySpaceAccess< Kokkos::CudaSpace , typename ReducerType::result_view_type::memory_space>::accessible )
   , m_scratch_space( 0 )
   , m_scratch_flags( 0 )
   , m_unified_space( 0 )
@@ -1453,7 +1534,7 @@ public:
   , m_scratch_ptr{NULL,NULL}
   , m_league_size( arg_policy.league_size() )
   , m_team_size( 0 <= arg_policy.team_size() ? arg_policy.team_size() :
-      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce >( arg_functor , arg_policy.vector_length(),
+      Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >( arg_functor , arg_policy.vector_length(),
                                                                arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) /
       arg_policy.vector_length() )
   , m_vector_size( arg_policy.vector_length() )
@@ -1486,10 +1567,7 @@ public:
          CudaTraits::SharedMemoryCapacity < shmem_size_total ) {
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > bad team size"));
     }
-
-    if ( int(m_team_size) >
-         int(Kokkos::Impl::cuda_get_max_block_size< ParallelReduce >
-               ( arg_functor , arg_policy.vector_length(), arg_policy.team_scratch_size(0),arg_policy.thread_scratch_size(0) ) / arg_policy.vector_length())) {
+    if ( int(m_team_size) > arg_policy.team_size_max(m_functor,ParallelReduceTag()) ) {
       Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > requested too large team size."));
     }
 
@@ -1753,7 +1831,7 @@ public:
       // Occupancy calculator assumes whole block.
 
       m_team_size =
-        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce >
+        Kokkos::Impl::cuda_get_opt_block_size< ParallelReduce, LaunchBounds >
           ( arg_functor
           , arg_policy.vector_length()
           , arg_policy.team_scratch_size(0)
@@ -1970,7 +2048,9 @@ private:
     const WorkRange range( m_policy , blockIdx.x , gridDim.x );
 
     for ( typename Policy::member_type iwork_base = range.begin(); iwork_base < range.end() ; iwork_base += blockDim.y ) {
-
+      #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      unsigned MASK=KOKKOS_IMPL_CUDA_ACTIVEMASK;
+      #endif
       const typename Policy::member_type iwork = iwork_base + threadIdx.y ;
 
       __syncthreads(); // Don't overwrite previous iteration values until they are used
@@ -1981,7 +2061,11 @@ private:
       for ( unsigned i = threadIdx.y ; i < word_count.value ; ++i ) {
         shared_data[i + word_count.value] = shared_data[i] = shared_accum[i] ;
       }
-
+      #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK(MASK);
+      #else
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+      #endif
       if ( CudaTraits::WarpSize < word_count.value ) { __syncthreads(); } // Protect against large scan values.
 
       // Call functor to accumulate inclusive scan value for this work item
@@ -2189,6 +2273,9 @@ private:
     const WorkRange range( m_policy , blockIdx.x , gridDim.x );
 
     for ( typename Policy::member_type iwork_base = range.begin(); iwork_base < range.end() ; iwork_base += blockDim.y ) {
+      #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      unsigned MASK=KOKKOS_IMPL_CUDA_ACTIVEMASK;
+      #endif
 
       const typename Policy::member_type iwork = iwork_base + threadIdx.y ;
 
@@ -2201,6 +2288,11 @@ private:
         shared_data[i + word_count.value] = shared_data[i] = shared_accum[i] ;
       }
 
+      #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK(MASK);
+      #else
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+      #endif
       if ( CudaTraits::WarpSize < word_count.value ) { __syncthreads(); } // Protect against large scan values.
 
       // Call functor to accumulate inclusive scan value for this work item
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
index 676ba38c6e..82d691f7d4 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp
@@ -194,8 +194,9 @@ void cuda_shfl_up( T & out , T const & in , int delta ,
  */
 
 template< class ValueType , class JoinOp>
-__device__
-inline void cuda_intra_warp_reduction( ValueType& result,
+__device__ inline
+typename std::enable_if< !Kokkos::is_reducer<ValueType>::value >::type
+cuda_intra_warp_reduction( ValueType& result,
                                        const JoinOp& join,
                                        const uint32_t max_active_thread = blockDim.y) {
 
@@ -214,8 +215,9 @@ inline void cuda_intra_warp_reduction( ValueType& result,
 }
 
 template< class ValueType , class JoinOp>
-__device__
-inline void cuda_inter_warp_reduction( ValueType& value,
+__device__ inline
+typename std::enable_if< !Kokkos::is_reducer<ValueType>::value >::type
+cuda_inter_warp_reduction( ValueType& value,
                                        const JoinOp& join,
                                        const int max_active_thread = blockDim.y) {
 
@@ -247,8 +249,9 @@ inline void cuda_inter_warp_reduction( ValueType& value,
 }
 
 template< class ValueType , class JoinOp>
-__device__
-inline void cuda_intra_block_reduction( ValueType& value,
+__device__ inline
+typename std::enable_if< !Kokkos::is_reducer<ValueType>::value >::type
+cuda_intra_block_reduction( ValueType& value,
                                         const JoinOp& join,
                                         const int max_active_thread = blockDim.y) {
   cuda_intra_warp_reduction(value,join,max_active_thread);
@@ -314,31 +317,52 @@ bool cuda_inter_block_reduction( typename FunctorValueTraits< FunctorType , ArgT
         if( id + 1 < int(gridDim.x) )
           join(value, tmp);
       }
-      int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+      int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 2) {
         value_type tmp = Kokkos::shfl_down(value, 2,32);
         if( id + 2 < int(gridDim.x) )
           join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 4) {
         value_type tmp = Kokkos::shfl_down(value, 4,32);
         if( id + 4 < int(gridDim.x) )
           join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 8) {
         value_type tmp = Kokkos::shfl_down(value, 8,32);
         if( id + 8 < int(gridDim.x) )
           join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 16) {
         value_type tmp = Kokkos::shfl_down(value, 16,32);
         if( id + 16 < int(gridDim.x) )
           join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
     }
   }
   //The last block has in its thread=0 the global reduction value through "value"
@@ -478,31 +502,52 @@ cuda_inter_block_reduction( const ReducerType& reducer,
         if( id + 1 < int(gridDim.x) )
           reducer.join(value, tmp);
       }
-      int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+      int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 2) {
         value_type tmp = Kokkos::shfl_down(value, 2,32);
         if( id + 2 < int(gridDim.x) )
           reducer.join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 4) {
         value_type tmp = Kokkos::shfl_down(value, 4,32);
         if( id + 4 < int(gridDim.x) )
           reducer.join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 8) {
         value_type tmp = Kokkos::shfl_down(value, 8,32);
         if( id + 8 < int(gridDim.x) )
           reducer.join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
       if (int(blockDim.x*blockDim.y) > 16) {
         value_type tmp = Kokkos::shfl_down(value, 16,32);
         if( id + 16 < int(gridDim.x) )
           reducer.join(value, tmp);
       }
-      active += KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+      active += KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
     }
   }
 
@@ -513,6 +558,213 @@ cuda_inter_block_reduction( const ReducerType& reducer,
 #endif
 }
 
+template<class FunctorType, class ArgTag, bool DoScan, bool UseShfl>
+struct CudaReductionsFunctor;
+
+template<class FunctorType, class ArgTag>
+struct CudaReductionsFunctor<FunctorType, ArgTag, false, true> {
+  typedef FunctorValueTraits< FunctorType , ArgTag >  ValueTraits ;
+  typedef FunctorValueJoin<   FunctorType , ArgTag >  ValueJoin ;
+  typedef FunctorValueInit<   FunctorType , ArgTag >  ValueInit ;
+  typedef FunctorValueOps<    FunctorType , ArgTag >  ValueOps ;
+  typedef typename ValueTraits::pointer_type  pointer_type ;
+  typedef typename ValueTraits::value_type Scalar;
+
+  __device__
+  static inline void scalar_intra_warp_reduction(
+      const FunctorType& functor,
+      Scalar value,                            // Contribution
+      const bool skip_vector,                  // Skip threads if Kokkos vector lanes are not part of the reduction
+      const int width,                         // How much of the warp participates
+      Scalar& result)
+  {
+    unsigned mask = width==32?0xffffffff:((1<<width)-1)<<((threadIdx.y*blockDim.x+threadIdx.x)%(32/width))*width;
+    for(int delta=skip_vector?blockDim.x:1; delta<width; delta*=2) {
+      Scalar tmp;
+      cuda_shfl_down(tmp,value,delta,width,mask);
+      ValueJoin::join( functor , &value, &tmp);
+    }
+
+    cuda_shfl(result,value,0,width,mask);
+  }
+
+
+  __device__
+  static inline void scalar_intra_block_reduction(
+      const FunctorType& functor,
+      Scalar value,
+      const bool skip,
+      Scalar* my_global_team_buffer_element,
+      const int shared_elements,
+      Scalar* shared_team_buffer_element) {
+
+    const int warp_id = (threadIdx.y*blockDim.x)/32;
+    Scalar* const my_shared_team_buffer_element =
+        shared_team_buffer_element + warp_id%shared_elements;
+
+    // Warp Level Reduction, ignoring Kokkos vector entries
+    scalar_intra_warp_reduction(functor,value,skip,32,value);
+
+    if(warp_id<shared_elements) {
+        *my_shared_team_buffer_element=value;
+    }
+    // Wait for every warp to be done before using one warp to do final cross warp reduction
+    __syncthreads();
+
+    const int num_warps = blockDim.x*blockDim.y/32;
+    for(int w = shared_elements; w<num_warps; w+=shared_elements) {
+      if(warp_id>=w && warp_id<w+shared_elements) {
+        if((threadIdx.y*blockDim.x + threadIdx.x)%32==0)
+          ValueJoin::join( functor , my_shared_team_buffer_element, &value);
+      }
+      __syncthreads();
+    }
+
+
+    if( warp_id == 0) {
+      ValueInit::init( functor , &value );
+      for(unsigned int i=threadIdx.y*blockDim.x+threadIdx.x; i<blockDim.y*blockDim.x/32; i+=32)
+        ValueJoin::join( functor , &value,&shared_team_buffer_element[i]);
+      scalar_intra_warp_reduction(functor,value,false,32,*my_global_team_buffer_element);
+    }
+  }
+
+  __device__
+  static inline bool scalar_inter_block_reduction(
+      const FunctorType     & functor ,
+      const Cuda::size_type   block_id ,
+      const Cuda::size_type   block_count ,
+      Cuda::size_type * const shared_data ,
+      Cuda::size_type * const global_data ,
+      Cuda::size_type * const global_flags )  {
+    Scalar* const global_team_buffer_element = ((Scalar*) global_data);
+    Scalar* const my_global_team_buffer_element = global_team_buffer_element + blockIdx.x;
+    Scalar* shared_team_buffer_elements = ((Scalar*) shared_data);
+    Scalar value = shared_team_buffer_elements[threadIdx.y];
+    int shared_elements=blockDim.x*blockDim.y/32;
+    int global_elements=block_count;
+    __syncthreads();
+
+    scalar_intra_block_reduction(functor,value,true,my_global_team_buffer_element,shared_elements,shared_team_buffer_elements);
+    __syncthreads();
+    unsigned int num_teams_done = 0;
+    if(threadIdx.x + threadIdx.y == 0) {
+      __threadfence();
+      num_teams_done = Kokkos::atomic_fetch_add(global_flags,1)+1;
+    }
+    bool is_last_block = false;
+    if(__syncthreads_or(num_teams_done == gridDim.x)) {
+      is_last_block=true;
+      *global_flags = 0;
+      ValueInit::init( functor, &value);
+      for(int i=threadIdx.y*blockDim.x+threadIdx.x; i<global_elements; i+=blockDim.x*blockDim.y) {
+        ValueJoin::join( functor , &value,&global_team_buffer_element[i]);
+      }
+      scalar_intra_block_reduction(functor,value,false,shared_team_buffer_elements+(blockDim.y-1),shared_elements,shared_team_buffer_elements);
+    }
+    return is_last_block;
+  }
+};
+
+template<class FunctorType, class ArgTag>
+struct CudaReductionsFunctor<FunctorType, ArgTag, false, false> {
+  typedef FunctorValueTraits< FunctorType , ArgTag >  ValueTraits ;
+  typedef FunctorValueJoin<   FunctorType , ArgTag >  ValueJoin ;
+  typedef FunctorValueInit<   FunctorType , ArgTag >  ValueInit ;
+  typedef FunctorValueOps<    FunctorType , ArgTag >  ValueOps ;
+  typedef typename ValueTraits::pointer_type  pointer_type ;
+  typedef typename ValueTraits::value_type Scalar;
+
+  __device__
+  static inline void scalar_intra_warp_reduction(
+      const FunctorType& functor,
+      Scalar* value,                           // Contribution
+      const bool skip_vector,                  // Skip threads if Kokkos vector lanes are not part of the reduction
+      const int width)                         // How much of the warp participates
+  {
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    unsigned mask = width==32?0xffffffff:((1<<width)-1)<<((threadIdx.y*blockDim.x+threadIdx.x)%(32/width))*width;
+#endif
+    const int lane_id = (threadIdx.y*blockDim.x+threadIdx.x)%32;
+    for(int delta=skip_vector?blockDim.x:1; delta<width; delta*=2) {
+      if(lane_id + delta<32) {
+        ValueJoin::join( functor , value, value+delta);
+      }
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK(mask);
+#else
+      KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+#endif
+    }
+    *value=*(value-lane_id);
+  }
+
+
+  __device__
+  static inline void scalar_intra_block_reduction(
+      const FunctorType& functor,
+      Scalar value,
+      const bool skip,
+      Scalar* result,
+      const int shared_elements,
+      Scalar* shared_team_buffer_element) {
+
+    const int warp_id = (threadIdx.y*blockDim.x)/32;
+    Scalar* const my_shared_team_buffer_element =
+        shared_team_buffer_element + threadIdx.y*blockDim.x+threadIdx.x;
+    *my_shared_team_buffer_element = value;
+    // Warp Level Reduction, ignoring Kokkos vector entries
+    scalar_intra_warp_reduction(functor,my_shared_team_buffer_element,skip,32);
+    // Wait for every warp to be done before using one warp to do final cross warp reduction
+    __syncthreads();
+
+    if( warp_id == 0) {
+      const unsigned int delta = (threadIdx.y*blockDim.x+threadIdx.x)*32;
+      if(delta<blockDim.x*blockDim.y)
+        *my_shared_team_buffer_element = shared_team_buffer_element[delta];
+      KOKKOS_IMPL_CUDA_SYNCWARP;   
+      scalar_intra_warp_reduction(functor,my_shared_team_buffer_element,false,blockDim.x*blockDim.y/32);
+      if(threadIdx.x + threadIdx.y == 0) *result = *shared_team_buffer_element;
+    }
+  }
+
+  __device__
+  static inline bool scalar_inter_block_reduction(
+      const FunctorType     & functor ,
+      const Cuda::size_type   block_id ,
+      const Cuda::size_type   block_count ,
+      Cuda::size_type * const shared_data ,
+      Cuda::size_type * const global_data ,
+      Cuda::size_type * const global_flags )  {
+    Scalar* const global_team_buffer_element = ((Scalar*) global_data);
+    Scalar* const my_global_team_buffer_element = global_team_buffer_element + blockIdx.x;
+    Scalar* shared_team_buffer_elements = ((Scalar*) shared_data);
+    Scalar value = shared_team_buffer_elements[threadIdx.y];
+    int shared_elements=blockDim.x*blockDim.y/32;
+    int global_elements=block_count;
+    __syncthreads();
+
+    scalar_intra_block_reduction(functor,value,true,my_global_team_buffer_element,shared_elements,shared_team_buffer_elements);
+    __syncthreads();
+
+    unsigned int num_teams_done = 0;
+    if(threadIdx.x + threadIdx.y == 0) {
+      __threadfence();
+      num_teams_done = Kokkos::atomic_fetch_add(global_flags,1)+1;
+    }
+    bool is_last_block = false;
+    if(__syncthreads_or(num_teams_done == gridDim.x)) {
+      is_last_block=true;
+      *global_flags = 0;
+      ValueInit::init( functor, &value);
+      for(int i=threadIdx.y*blockDim.x+threadIdx.x; i<global_elements; i+=blockDim.x*blockDim.y) {
+        ValueJoin::join( functor , &value,&global_team_buffer_element[i]);
+      }
+      scalar_intra_block_reduction(functor,value,false,shared_team_buffer_elements+(blockDim.y-1),shared_elements,shared_team_buffer_elements);
+    }
+    return is_last_block;
+  }
+};
 //----------------------------------------------------------------------------
 // See section B.17 of Cuda C Programming Guide Version 3.2
 // for discussion of
@@ -639,14 +891,15 @@ void cuda_intra_block_reduce_scan( const FunctorType & functor ,
  *
  *  Global reduce result is in the last threads' 'shared_data' location.
  */
+
 template< bool DoScan , class FunctorType , class ArgTag >
 __device__
-bool cuda_single_inter_block_reduce_scan( const FunctorType     & functor ,
-                                          const Cuda::size_type   block_id ,
-                                          const Cuda::size_type   block_count ,
-                                          Cuda::size_type * const shared_data ,
-                                          Cuda::size_type * const global_data ,
-                                          Cuda::size_type * const global_flags )
+bool cuda_single_inter_block_reduce_scan2( const FunctorType     & functor ,
+                                    const Cuda::size_type   block_id ,
+                                    const Cuda::size_type   block_count ,
+                                    Cuda::size_type * const shared_data ,
+                                    Cuda::size_type * const global_data ,
+                                    Cuda::size_type * const global_flags )
 {
   typedef Cuda::size_type                  size_type ;
   typedef FunctorValueTraits< FunctorType , ArgTag >  ValueTraits ;
@@ -655,7 +908,6 @@ bool cuda_single_inter_block_reduce_scan( const FunctorType     & functor ,
   typedef FunctorValueOps<    FunctorType , ArgTag >  ValueOps ;
 
   typedef typename ValueTraits::pointer_type    pointer_type ;
-  //typedef typename ValueTraits::reference_type  reference_type ;
 
   // '__ffs' = position of the least significant bit set to 1.
   // 'blockDim.y' is guaranteed to be a power of two so this
@@ -678,12 +930,7 @@ bool cuda_single_inter_block_reduce_scan( const FunctorType     & functor ,
     size_type * const shared = shared_data + word_count.value * BlockSizeMask ;
     size_type * const global = global_data + word_count.value * block_id ;
 
-//#if (__CUDA_ARCH__ < 500)
     for ( int i = int(threadIdx.y) ; i < int(word_count.value) ; i += int(blockDim.y) ) { global[i] = shared[i] ; }
-//#else
-//    for ( size_type i = 0 ; i < word_count.value ; i += 1 ) { global[i] = shared[i] ; }
-//#endif
-
   }
 
   // Contributing blocks note that their contribution has been completed via an atomic-increment flag
@@ -725,6 +972,22 @@ bool cuda_single_inter_block_reduce_scan( const FunctorType     & functor ,
   return is_last_block ;
 }
 
+template< bool DoScan , class FunctorType , class ArgTag >
+__device__
+bool cuda_single_inter_block_reduce_scan( const FunctorType     & functor ,
+                                          const Cuda::size_type   block_id ,
+                                          const Cuda::size_type   block_count ,
+                                          Cuda::size_type * const shared_data ,
+                                          Cuda::size_type * const global_data ,
+                                          Cuda::size_type * const global_flags )
+{
+  typedef FunctorValueTraits< FunctorType , ArgTag >  ValueTraits ;
+  if(!DoScan && ValueTraits::StaticValueSize)
+    return Kokkos::Impl::CudaReductionsFunctor<FunctorType,ArgTag,false,(ValueTraits::StaticValueSize>16)>::scalar_inter_block_reduction(functor,block_id,block_count,shared_data,global_data,global_flags);
+  else
+    return cuda_single_inter_block_reduce_scan2<DoScan, FunctorType, ArgTag>(functor, block_id, block_count, shared_data, global_data, global_flags);
+}
+
 // Size in bytes required for inter block reduce or scan
 template< bool DoScan , class FunctorType , class ArgTag >
 inline
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
index 73ec409b29..9eb32f07c7 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Team.hpp
@@ -160,7 +160,7 @@ public:
 
   template<class ValueType>
   KOKKOS_INLINE_FUNCTION
-  void team_broadcast( ValueType & val, const int& thread_id) const
+  void team_broadcast( ValueType & val, const int& thread_id ) const
     {
       #ifdef __CUDA_ARCH__
       if ( 1 == blockDim.z ) { // team == block
@@ -178,6 +178,29 @@ public:
       }
       #endif
     }
+	
+  template<class Closure, class ValueType>
+  KOKKOS_INLINE_FUNCTION
+  void team_broadcast( Closure const & f, ValueType & val, const int& thread_id ) const
+    {
+      #ifdef __CUDA_ARCH__
+      f( val );
+
+      if ( 1 == blockDim.z ) { // team == block
+        __syncthreads();
+        // Wait for shared data write until all threads arrive here
+        if ( threadIdx.x == 0u && threadIdx.y == (uint32_t)thread_id ) {
+          *((ValueType*) m_team_reduce) = val ;
+        }
+        __syncthreads(); // Wait for shared data read until root thread writes
+        val = *((ValueType*) m_team_reduce);
+      }
+      else { // team <= warp
+        ValueType tmp( val ); // input might not be a register variable
+        cuda_shfl( val, tmp, blockDim.x * thread_id, blockDim.x * blockDim.y );
+      }
+      #endif
+    }
 
   //--------------------------------------------------------------------------
   /**\brief  Reduction across a team
@@ -200,92 +223,7 @@ public:
   team_reduce( ReducerType const & reducer ) const noexcept
     {
       #ifdef __CUDA_ARCH__
-
-      typedef typename ReducerType::value_type value_type ;
-
-      value_type tmp( reducer.reference() );
-
-      // reduce within the warp using shuffle
-
-      const int wx =
-        ( threadIdx.x + blockDim.x * threadIdx.y ) & CudaTraits::WarpIndexMask ;
-
-      for ( int i = CudaTraits::WarpSize ; (int)blockDim.x <= ( i >>= 1 ) ; ) {
-
-        cuda_shfl_down( reducer.reference() , tmp , i , CudaTraits::WarpSize );
-
-        // Root of each vector lane reduces:
-        if ( 0 == threadIdx.x && wx < i ) {
-          reducer.join( tmp , reducer.reference() );
-        }
-      }
-
-      if ( 1 < blockDim.z ) { // team <= warp
-        // broadcast result from root vector lange of root thread
-
-        cuda_shfl( reducer.reference() , tmp
-                 , blockDim.x * threadIdx.y , CudaTraits::WarpSize );
-
-      }
-      else { // team == block
-        // Reduce across warps using shared memory
-        // Broadcast result within block
-
-        // Number of warps, blockDim.y may not be power of two:
-        const int nw  = ( blockDim.x * blockDim.y + CudaTraits::WarpIndexMask ) >> CudaTraits::WarpIndexShift ;
-
-        // Warp index:
-        const int wy = ( blockDim.x * threadIdx.y ) >> CudaTraits::WarpIndexShift ;
-
-        // Number of shared memory entries for the reduction:
-        int nsh = m_team_reduce_size / sizeof(value_type);
-
-        // Using at most one entry per warp:
-        if ( nw < nsh ) nsh = nw ;
-
-        __syncthreads(); // Wait before shared data write
-
-        if ( 0 == wx && wy < nsh ) {
-          ((value_type*) m_team_reduce)[wy] = tmp ;
-        }
-
-        // When more warps than shared entries:
-        for ( int i = nsh ; i < nw ; i += nsh ) {
-
-          __syncthreads();
-
-          if ( 0 == wx && i <= wy ) {
-            const int k = wy - i ;
-            if ( k < nsh ) {
-              reducer.join( *((value_type*) m_team_reduce + k) , tmp );
-            }
-          }
-        }
-
-        __syncthreads();
-
-        // One warp performs the inter-warp reduction:
-
-        if ( 0 == wy ) {
-
-          // Start at power of two covering nsh
-
-          for ( int i = 1 << ( 32 - __clz(nsh-1) ) ; ( i >>= 1 ) ; ) {
-            const int k = wx + i ;
-            if ( wx < i && k < nsh ) {
-              reducer.join( ((value_type*)m_team_reduce)[wx]
-                          , ((value_type*)m_team_reduce)[k] );
-              __threadfence_block();
-            }
-          }
-        }
-
-        __syncthreads(); // Wait for reduction
-
-        // Broadcast result to all threads
-        reducer.reference() = *((value_type*)m_team_reduce);
-      }
-
+      cuda_intra_block_reduction(reducer,blockDim.y);
       #endif /* #ifdef __CUDA_ARCH__ */
     }
 
@@ -801,7 +739,11 @@ void parallel_for
       ; i += blockDim.x ) {
     closure(i);
   }
+  #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
   KOKKOS_IMPL_CUDA_SYNCWARP_MASK(blockDim.x==32?0xffffffff:((1<<blockDim.x)-1)<<(threadIdx.y%(32/blockDim.x))*blockDim.x);
+  #else
+  KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+  #endif
 #endif
 }
 
@@ -970,7 +912,11 @@ KOKKOS_INLINE_FUNCTION
 void single(const Impl::VectorSingleStruct<Impl::CudaTeamMember>& , const FunctorType& lambda) {
 #ifdef __CUDA_ARCH__
   if(threadIdx.x == 0) lambda();
+  #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
   KOKKOS_IMPL_CUDA_SYNCWARP_MASK(blockDim.x==32?0xffffffff:((1<<blockDim.x)-1)<<(threadIdx.y%(32/blockDim.x))*blockDim.x);
+  #else
+  KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+  #endif
 #endif
 }
 
@@ -979,7 +925,11 @@ KOKKOS_INLINE_FUNCTION
 void single(const Impl::ThreadSingleStruct<Impl::CudaTeamMember>& , const FunctorType& lambda) {
 #ifdef __CUDA_ARCH__
   if(threadIdx.x == 0 && threadIdx.y == 0) lambda();
+  #ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
   KOKKOS_IMPL_CUDA_SYNCWARP_MASK(blockDim.x==32?0xffffffff:((1<<blockDim.x)-1)<<(threadIdx.y%(32/blockDim.x))*blockDim.x);
+  #else
+  KOKKOS_IMPL_CUDA_SYNCWARP_MASK;
+  #endif
 #endif
 }
 
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp
index 9a9448f67c..25951b81b0 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Version_9_8_Compatibility.hpp
@@ -2,9 +2,11 @@
 
 #if defined( __CUDA_ARCH__ )
 #if ( CUDA_VERSION < 9000 )
+#define KOKKOS_IMPL_CUDA_ACTIVEMASK 0
 #define KOKKOS_IMPL_CUDA_SYNCWARP __threadfence_block()
-#define KOKKOS_IMPL_CUDA_SYNCWARP_MASK(x) __threadfence_block()
+#define KOKKOS_IMPL_CUDA_SYNCWARP_MASK __threadfence_block()
 #define KOKKOS_IMPL_CUDA_BALLOT(x) __ballot(x)
+#define KOKKOS_IMPL_CUDA_BALLOT_MASK(x) __ballot(x)
 #define KOKKOS_IMPL_CUDA_SHFL(x,y,z) __shfl(x,y,z)
 #define KOKKOS_IMPL_CUDA_SHFL_MASK(m,x,y,z) __shfl(x,y,z)
 #define KOKKOS_IMPL_CUDA_SHFL_UP(x,y,z) __shfl_up(x,y,z)
@@ -12,9 +14,11 @@
 #define KOKKOS_IMPL_CUDA_SHFL_DOWN(x,y,z) __shfl_down(x,y,z)
 #define KOKKOS_IMPL_CUDA_SHFL_DOWN_MASK(m,x,y,z) __shfl_down(x,y,z)
 #else
+#define KOKKOS_IMPL_CUDA_ACTIVEMASK __activemask()
 #define KOKKOS_IMPL_CUDA_SYNCWARP __syncwarp(0xffffffff)
-#define KOKKOS_IMPL_CUDA_SYNCWARP_MASK(m) __syncwarp(m)
+#define KOKKOS_IMPL_CUDA_SYNCWARP_MASK(m) __syncwarp(m);
 #define KOKKOS_IMPL_CUDA_BALLOT(x) __ballot_sync(__activemask(),x)
+#define KOKKOS_IMPL_CUDA_BALLOT_MASK(m,x) __ballot_sync(m,x)
 #define KOKKOS_IMPL_CUDA_SHFL(x,y,z) __shfl_sync(0xffffffff,x,y,z)
 #define KOKKOS_IMPL_CUDA_SHFL_MASK(m,x,y,z) __shfl_sync(m,x,y,z)
 #define KOKKOS_IMPL_CUDA_SHFL_UP(x,y,z) __shfl_up_sync(0xffffffff,x,y,z)
@@ -23,11 +27,16 @@
 #define KOKKOS_IMPL_CUDA_SHFL_DOWN_MASK(m,x,y,z) __shfl_down_sync(m,x,y,z)
 #endif 
 #else
+#define KOKKOS_IMPL_CUDA_ACTIVEMASK 0
 #define KOKKOS_IMPL_CUDA_SYNCWARP 
+#define KOKKOS_IMPL_CUDA_SYNCWARP_MASK
 #define KOKKOS_IMPL_CUDA_BALLOT(x) 0
+#define KOKKOS_IMPL_CUDA_BALLOT_MASK(x) 0
 #define KOKKOS_IMPL_CUDA_SHFL(x,y,z) 0
+#define KOKKOS_IMPL_CUDA_SHFL_MASK(m,x,y,z) 0
 #define KOKKOS_IMPL_CUDA_SHFL_UP(x,y,z) 0
 #define KOKKOS_IMPL_CUDA_SHFL_DOWN(x,y,z) 0
+#define KOKKOS_IMPL_CUDA_SHFL_DOWN_MASK(m,x,y,z) 0
 #endif 
 
 #if ( CUDA_VERSION >= 9000 ) && (!defined(KOKKOS_COMPILER_CLANG))
diff --git a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
index 11aa695f08..af2aff8b35 100644
--- a/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
+++ b/lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp
@@ -279,6 +279,8 @@ public:
   KOKKOS_INLINE_FUNCTION
   static handle_type assign( value_type * arg_data_ptr, track_type const & arg_tracker )
     {
+      if(arg_data_ptr == NULL) return handle_type();
+
 #if defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
       // Assignment of texture = non-texture requires creation of a texture object
       // which can only occur on the host.  In addition, 'get_record' is only valid
@@ -292,8 +294,7 @@ public:
 
 #if ! defined( KOKKOS_ENABLE_CUDA_LDG_INTRINSIC )
       if ( 0 == r ) {
-        //Kokkos::abort("Cuda const random access View using Cuda texture memory requires Kokkos to allocate the View's memory");
-        return handle_type();
+        Kokkos::abort("Cuda const random access View using Cuda texture memory requires Kokkos to allocate the View's memory");
       }
 #endif
 
diff --git a/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp b/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
index 976bdf05d3..fb0d6cde84 100644
--- a/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
+++ b/lib/kokkos/core/src/KokkosExp_MDRangePolicy.hpp
@@ -46,6 +46,8 @@
 
 #include <initializer_list>
 
+#include <Kokkos_Layout.hpp>
+
 #include<impl/KokkosExp_Host_IterateTile.hpp>
 #include <Kokkos_ExecPolicy.hpp>
 #include <Kokkos_Parallel.hpp>
@@ -63,13 +65,15 @@
 namespace Kokkos {
 
 // ------------------------------------------------------------------ //
-
+// Moved to Kokkos_Layout.hpp for more general accessibility
+/*
 enum class Iterate
 {
   Default, // Default for the device
   Left,    // Left indices stride fastest
   Right,   // Right indices stride fastest
 };
+*/
 
 template <typename ExecSpace>
 struct default_outer_direction
diff --git a/lib/kokkos/core/src/Kokkos_Array.hpp b/lib/kokkos/core/src/Kokkos_Array.hpp
index c602b03538..8e5862fe9c 100644
--- a/lib/kokkos/core/src/Kokkos_Array.hpp
+++ b/lib/kokkos/core/src/Kokkos_Array.hpp
@@ -45,11 +45,13 @@
 #define KOKKOS_ARRAY_HPP
 
 #include <Kokkos_Macros.hpp>
+#include <impl/Kokkos_Error.hpp>
 
 #include <type_traits>
 #include <algorithm>
 #include <limits>
 #include <cstddef>
+#include <string>
 
 namespace Kokkos {
 
@@ -132,6 +134,7 @@ public:
 
   KOKKOS_INLINE_FUNCTION static constexpr size_type size() { return N ; }
   KOKKOS_INLINE_FUNCTION static constexpr bool      empty(){ return false ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type max_size() const { return N ; }
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION
@@ -160,7 +163,7 @@ public:
       return & m_internal_implementation_private_member_data[0];
     }
 
-  #ifdef KOKKOS_ROCM_CLANG_WORKAROUND
+  #ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
   // Do not default unless move and move-assignment are also defined
   KOKKOS_INLINE_FUNCTION
   ~Array() = default ;
@@ -197,6 +200,7 @@ public:
 
   KOKKOS_INLINE_FUNCTION static constexpr size_type size()  { return 0 ; }
   KOKKOS_INLINE_FUNCTION static constexpr bool      empty() { return true ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type max_size() const { return 0 ; }
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION
@@ -261,6 +265,7 @@ public:
 
   KOKKOS_INLINE_FUNCTION constexpr size_type size()  const { return m_size ; }
   KOKKOS_INLINE_FUNCTION constexpr bool      empty() const { return 0 != m_size ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type max_size() const { return m_size ; }
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION
@@ -336,6 +341,7 @@ public:
 
   KOKKOS_INLINE_FUNCTION constexpr size_type size()  const { return m_size ; }
   KOKKOS_INLINE_FUNCTION constexpr bool      empty() const { return 0 != m_size ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type max_size() const { return m_size ; }
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION
diff --git a/lib/kokkos/core/src/Kokkos_Concepts.hpp b/lib/kokkos/core/src/Kokkos_Concepts.hpp
index 2e2507b27d..117469b0a2 100644
--- a/lib/kokkos/core/src/Kokkos_Concepts.hpp
+++ b/lib/kokkos/core/src/Kokkos_Concepts.hpp
@@ -105,7 +105,10 @@ namespace Kokkos {
   template< typename T > struct is_ ## CONCEPT { \
   private: \
     template< typename , typename = std::true_type > struct have : std::false_type {}; \
-    template< typename U > struct have<U,typename std::is_same<U,typename U:: CONCEPT >::type> : std::true_type {}; \
+    template< typename U > struct have<U,typename std::is_same< \
+     typename std::remove_cv<U>::type, \
+     typename std::remove_cv<typename U:: CONCEPT>::type \
+   >::type> : std::true_type {}; \
   public: \
     enum { value = is_ ## CONCEPT::template have<T>::value }; \
   };
diff --git a/lib/kokkos/core/src/Kokkos_CopyViews.hpp b/lib/kokkos/core/src/Kokkos_CopyViews.hpp
index 31281bc315..86547420ef 100644
--- a/lib/kokkos/core/src/Kokkos_CopyViews.hpp
+++ b/lib/kokkos/core/src/Kokkos_CopyViews.hpp
@@ -453,8 +453,9 @@ template<class ViewTypeA,class ViewTypeB, class Layout, class ExecSpace,typename
 struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,2,iType,KOKKOS_IMPL_COMPILING_LIBRARY> {
   ViewTypeA a;
   ViewTypeB b;
-
-  typedef Kokkos::Rank<2,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<2,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -475,7 +476,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,3,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<3,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<3,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -496,7 +499,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,4,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<4,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<4,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -519,7 +524,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,5,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<5,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<5,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -542,7 +549,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,6,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<6,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<6,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -566,7 +575,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,7,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<6,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<6,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -590,7 +601,9 @@ struct ViewCopy<ViewTypeA,ViewTypeB,Layout,ExecSpace,8,iType,KOKKOS_IMPL_COMPILI
   ViewTypeA a;
   ViewTypeB b;
 
-  typedef Kokkos::Rank<6,ViewFillLayoutSelector<Layout>::iterate,ViewFillLayoutSelector<Layout>::iterate> iterate_type;
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::outer_iteration_pattern;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::layout_iterate_type_selector<Layout>::inner_iteration_pattern;
+  typedef Kokkos::Rank<6,outer_iteration_pattern,inner_iteration_pattern> iterate_type;
   typedef Kokkos::MDRangePolicy<ExecSpace,iterate_type,Kokkos::IndexType<iType>> policy_type;
 
   ViewCopy(const ViewTypeA& a_, const ViewTypeB& b_):a(a_),b(b_) {
@@ -642,7 +655,9 @@ void view_copy(const DstType& dst, const SrcType& src) {
   int64_t strides[DstType::Rank+1];
   dst.stride(strides);
   Kokkos::Iterate iterate;
-  if        ( std::is_same<typename DstType::array_layout,Kokkos::LayoutRight>::value ) {
+  if        ( Kokkos::is_layouttiled<typename DstType::array_layout>::value ) {
+    iterate = Kokkos::layout_iterate_type_selector<typename DstType::array_layout>::outer_iteration_pattern;
+  } else if        ( std::is_same<typename DstType::array_layout,Kokkos::LayoutRight>::value ) {
     iterate = Kokkos::Iterate::Right;
   } else if ( std::is_same<typename DstType::array_layout,Kokkos::LayoutLeft>::value ) {
     iterate = Kokkos::Iterate::Left;
@@ -1243,9 +1258,9 @@ void deep_copy
      ViewTypeFlat;
 
     ViewTypeFlat dst_flat(dst.data(),dst.size());
-    if(dst.span() < std::numeric_limits<int>::max())
+    if(dst.span() < std::numeric_limits<int>::max()) {
       Kokkos::Impl::ViewFill< ViewTypeFlat , Kokkos::LayoutRight, typename ViewType::execution_space, ViewTypeFlat::Rank, int >( dst_flat , value );
-    else
+    } else
       Kokkos::Impl::ViewFill< ViewTypeFlat , Kokkos::LayoutRight, typename ViewType::execution_space, ViewTypeFlat::Rank, int64_t >( dst_flat , value );
     Kokkos::fence();
     return;
@@ -1397,7 +1412,6 @@ void deep_copy
   enum { SrcExecCanAccessDst =
    Kokkos::Impl::SpaceAccessibility< src_execution_space , dst_memory_space >::accessible };
 
-
   // Checking for Overlapping Views.
   dst_value_type* dst_start = dst.data();
   dst_value_type* dst_end   = dst.data() + dst.span();
@@ -1493,7 +1507,7 @@ void deep_copy
     Kokkos::fence();
   } else {
     Kokkos::fence();
-    Impl::view_copy(typename dst_type::uniform_runtime_nomemspace_type(dst),typename src_type::uniform_runtime_const_nomemspace_type(src));
+    Impl::view_copy(dst, src);
     Kokkos::fence();
   }
 }
@@ -1739,8 +1753,7 @@ void deep_copy
     exec_space.fence();
   } else {
     exec_space.fence();
-    Impl::view_copy(typename dst_type::uniform_runtime_nomemspace_type(dst),
-                    typename src_type::uniform_runtime_const_nomemspace_type(src));
+    Impl::view_copy(dst, src);
     exec_space.fence();
   }
 }
@@ -1917,4 +1930,213 @@ void realloc(      Kokkos::View<T,P...> & v ,
 }
 } /* namespace Kokkos */
 
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+namespace Impl {
+
+// Deduce Mirror Types
+template<class Space, class T, class ... P>
+struct MirrorViewType {
+  // The incoming view_type
+  typedef typename Kokkos::View<T,P...> src_view_type;
+  // The memory space for the mirror view
+  typedef typename Space::memory_space memory_space;
+  // Check whether it is the same memory space
+  enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
+  // The array_layout
+  typedef typename src_view_type::array_layout array_layout;
+  // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
+  typedef typename src_view_type::non_const_data_type data_type;
+  // The destination view type if it is not the same memory space
+  typedef Kokkos::View<data_type,array_layout,Space> dest_view_type;
+  // If it is the same memory_space return the existsing view_type
+  // This will also keep the unmanaged trait if necessary
+  typedef typename std::conditional<is_same_memspace,src_view_type,dest_view_type>::type view_type;
+};
+
+template<class Space, class T, class ... P>
+struct MirrorType {
+  // The incoming view_type
+  typedef typename Kokkos::View<T,P...> src_view_type;
+  // The memory space for the mirror view
+  typedef typename Space::memory_space memory_space;
+  // Check whether it is the same memory space
+  enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
+  // The array_layout
+  typedef typename src_view_type::array_layout array_layout;
+  // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
+  typedef typename src_view_type::non_const_data_type data_type;
+  // The destination view type if it is not the same memory space
+  typedef Kokkos::View<data_type,array_layout,Space> view_type;
+};
+
+}
+
+template< class T , class ... P >
+inline
+typename Kokkos::View<T,P...>::HostMirror
+create_mirror( const Kokkos::View<T,P...> & src
+             , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value &&
+                 ! std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
+                               , Kokkos::LayoutStride >::value
+               >::type * = 0
+             )
+{
+  typedef View<T,P...>                   src_type ;
+  typedef typename src_type::HostMirror  dst_type ;
+
+  return dst_type( std::string( src.label() ).append("_mirror")
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+                   , src.extent(0)
+                   , src.extent(1)
+                   , src.extent(2)
+                   , src.extent(3)
+                   , src.extent(4)
+                   , src.extent(5)
+                   , src.extent(6)
+                   , src.extent(7) );
+#else
+                 , src.rank_dynamic > 0 ? src.extent(0): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 1 ? src.extent(1): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 2 ? src.extent(2): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 3 ? src.extent(3): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 4 ? src.extent(4): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 5 ? src.extent(5): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 6 ? src.extent(6): KOKKOS_IMPL_CTOR_DEFAULT_ARG
+                 , src.rank_dynamic > 7 ? src.extent(7): KOKKOS_IMPL_CTOR_DEFAULT_ARG );
+#endif
+}
+
+template< class T , class ... P >
+inline
+typename Kokkos::View<T,P...>::HostMirror
+create_mirror( const Kokkos::View<T,P...> & src
+             , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value &&
+                 std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
+                             , Kokkos::LayoutStride >::value
+               >::type * = 0
+             )
+{
+  typedef View<T,P...>                   src_type ;
+  typedef typename src_type::HostMirror  dst_type ;
+
+  Kokkos::LayoutStride layout ;
+
+  layout.dimension[0] = src.extent(0);
+  layout.dimension[1] = src.extent(1);
+  layout.dimension[2] = src.extent(2);
+  layout.dimension[3] = src.extent(3);
+  layout.dimension[4] = src.extent(4);
+  layout.dimension[5] = src.extent(5);
+  layout.dimension[6] = src.extent(6);
+  layout.dimension[7] = src.extent(7);
+
+  layout.stride[0] = src.stride_0();
+  layout.stride[1] = src.stride_1();
+  layout.stride[2] = src.stride_2();
+  layout.stride[3] = src.stride_3();
+  layout.stride[4] = src.stride_4();
+  layout.stride[5] = src.stride_5();
+  layout.stride[6] = src.stride_6();
+  layout.stride[7] = src.stride_7();
+
+  return dst_type( std::string( src.label() ).append("_mirror") , layout );
+}
+
+
+// Create a mirror in a new space (specialization for different space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorType<Space,T,P ...>::view_type
+create_mirror(const Space& , const Kokkos::View<T,P...> & src
+             , typename std::enable_if<
+                 std::is_same< typename ViewTraits<T,P...>::specialize , void >::value
+               >::type * = 0) {
+  return typename Impl::MirrorType<Space,T,P ...>::view_type(src.label(),src.layout());
+}
+
+template< class T , class ... P >
+inline
+typename Kokkos::View<T,P...>::HostMirror
+create_mirror_view( const Kokkos::View<T,P...> & src
+                  , typename std::enable_if<(
+                      std::is_same< typename Kokkos::View<T,P...>::memory_space
+                                  , typename Kokkos::View<T,P...>::HostMirror::memory_space
+                                  >::value
+                      &&
+                      std::is_same< typename Kokkos::View<T,P...>::data_type
+                                  , typename Kokkos::View<T,P...>::HostMirror::data_type
+                                  >::value
+                    )>::type * = 0
+                  )
+{
+  return src ;
+}
+
+template< class T , class ... P >
+inline
+typename Kokkos::View<T,P...>::HostMirror
+create_mirror_view( const Kokkos::View<T,P...> & src
+                  , typename std::enable_if< ! (
+                      std::is_same< typename Kokkos::View<T,P...>::memory_space
+                                  , typename Kokkos::View<T,P...>::HostMirror::memory_space
+                                  >::value
+                      &&
+                      std::is_same< typename Kokkos::View<T,P...>::data_type
+                                  , typename Kokkos::View<T,P...>::HostMirror::data_type
+                                  >::value
+                    )>::type * = 0
+                  )
+{
+  return Kokkos::create_mirror( src );
+}
+
+// Create a mirror view in a new space (specialization for same space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
+  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  return src;
+}
+
+// Create a mirror view in a new space (specialization for different space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
+  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  return typename Impl::MirrorViewType<Space,T,P ...>::view_type(src.label(),src.layout());
+}
+
+// Create a mirror view and deep_copy in a new space (specialization for same space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view_and_copy(const Space& , const Kokkos::View<T,P...> & src
+  , std::string const& name = ""
+  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  (void)name;
+  return src;
+}
+
+// Create a mirror view and deep_copy in a new space (specialization for different space)
+template<class Space, class T, class ... P>
+typename Impl::MirrorViewType<Space,T,P ...>::view_type
+create_mirror_view_and_copy(const Space& , const Kokkos::View<T,P...> & src
+  , std::string const& name = ""
+  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
+  using Mirror = typename Impl::MirrorViewType<Space,T,P ...>::view_type;
+  std::string label = name.empty() ? src.label() : name;
+  auto mirror = Mirror(ViewAllocateWithoutInitializing(label), src.layout());
+  deep_copy(mirror, src);
+  return mirror;
+}
+
+} /* namespace Kokkos */
+
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
 #endif
diff --git a/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp b/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
index a33e28fcd4..d4693b43c1 100644
--- a/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
+++ b/lib/kokkos/core/src/Kokkos_ExecPolicy.hpp
@@ -57,6 +57,10 @@
 
 namespace Kokkos {
 
+struct ParallelForTag {};
+struct ParallelScanTag {};
+struct ParallelReduceTag {};
+
 struct ChunkSize {
   int value;
   ChunkSize(int value_):value(value_) {}
@@ -320,6 +324,10 @@ public:
 
   template< class FunctorType >
   static int team_size_recommended( const FunctorType & , const int&);
+
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType & functor , const int vector_length);
+
   //----------------------------------------
   /** \brief  Construct policy with the given instance of the execution space */
   TeamPolicyInternal( const typename traits::execution_space & , int league_size_request , int team_size_request , int vector_length_request = 1 );
diff --git a/lib/kokkos/core/src/Kokkos_Layout.hpp b/lib/kokkos/core/src/Kokkos_Layout.hpp
index b0f92d8cf1..43e117783b 100644
--- a/lib/kokkos/core/src/Kokkos_Layout.hpp
+++ b/lib/kokkos/core/src/Kokkos_Layout.hpp
@@ -76,6 +76,8 @@ struct LayoutLeft {
 
   size_t dimension[ ARRAY_LAYOUT_MAX_RANK ];
 
+  enum { is_extent_constructible = true };
+
   LayoutLeft( LayoutLeft const & ) = default ;
   LayoutLeft( LayoutLeft && ) = default ;
   LayoutLeft & operator = ( LayoutLeft const & ) = default ;
@@ -108,6 +110,8 @@ struct LayoutRight {
 
   size_t dimension[ ARRAY_LAYOUT_MAX_RANK ];
 
+  enum { is_extent_constructible = true };
+
   LayoutRight( LayoutRight const & ) = default ;
   LayoutRight( LayoutRight && ) = default ;
   LayoutRight & operator = ( LayoutRight const & ) = default ;
@@ -132,6 +136,8 @@ struct LayoutStride {
   size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;
   size_t stride[ ARRAY_LAYOUT_MAX_RANK ] ;
 
+  enum { is_extent_constructible = false };
+
   LayoutStride( LayoutStride const & ) = default ;
   LayoutStride( LayoutStride && ) = default ;
   LayoutStride & operator = ( LayoutStride const & ) = default ;
@@ -222,6 +228,8 @@ struct LayoutTileLeft {
 
   size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;
 
+  enum { is_extent_constructible = true };
+
   LayoutTileLeft( LayoutTileLeft const & ) = default ;
   LayoutTileLeft( LayoutTileLeft && ) = default ;
   LayoutTileLeft & operator = ( LayoutTileLeft const & ) = default ;
@@ -235,6 +243,144 @@ struct LayoutTileLeft {
     : dimension { argN0 , argN1 , argN2 , argN3 , argN4 , argN5 , argN6 , argN7 } {}
 };
 
+
+//////////////////////////////////////////////////////////////////////////////////////
+
+enum class Iterate
+{
+  Default,
+  Left,    // Left indices stride fastest
+  Right   // Right indices stride fastest
+};
+
+// To check for LayoutTiled
+// This is to hide extra compile-time 'identifier' info within the LayoutTiled class by not relying on template specialization to include the ArgN*'s
+template < typename LayoutTiledCheck, class Enable = void >
+struct is_layouttiled : std::false_type {};
+
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+template < typename LayoutTiledCheck >
+struct is_layouttiled< LayoutTiledCheck, typename std::enable_if<LayoutTiledCheck::is_array_layout_tiled>::type > : std::true_type {};
+
+namespace Experimental {
+
+/// LayoutTiled
+// Must have Rank >= 2
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP,
+           unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 = 0,  unsigned ArgN3 = 0,  unsigned ArgN4 = 0,  unsigned ArgN5 = 0,  unsigned ArgN6 = 0,  unsigned ArgN7 = 0, 
+           bool IsPowerOfTwo = 
+           ( Impl::is_integral_power_of_two(ArgN0) &&
+             Impl::is_integral_power_of_two(ArgN1) &&
+             (Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
+             (Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
+             (Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
+             (Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
+             (Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
+             (Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
+           )
+         >
+struct LayoutTiled {
+
+  static_assert( IsPowerOfTwo
+               , "LayoutTiled must be given power-of-two tile dimensions" );
+
+#if 0
+  static_assert( (Impl::is_integral_power_of_two(ArgN0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN1) ) &&
+                 (Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
+                 (Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
+               , "LayoutTiled must be given power-of-two tile dimensions" );
+#endif
+
+  typedef LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, IsPowerOfTwo> array_layout ;
+  static constexpr Iterate outer_pattern = OuterP;
+  static constexpr Iterate inner_pattern = InnerP;
+
+  enum { N0 = ArgN0 };
+  enum { N1 = ArgN1 };
+  enum { N2 = ArgN2 };
+  enum { N3 = ArgN3 };
+  enum { N4 = ArgN4 };
+  enum { N5 = ArgN5 };
+  enum { N6 = ArgN6 };
+  enum { N7 = ArgN7 };
+
+  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;
+
+  enum { is_extent_constructible = true };
+
+  LayoutTiled( LayoutTiled const & ) = default ;
+  LayoutTiled( LayoutTiled && ) = default ;
+  LayoutTiled & operator = ( LayoutTiled const & ) = default ;
+  LayoutTiled & operator = ( LayoutTiled && ) = default ;
+
+  KOKKOS_INLINE_FUNCTION
+  explicit constexpr
+  LayoutTiled( size_t argN0 = 0 , size_t argN1 = 0 , size_t argN2 = 0 , size_t argN3 = 0
+                , size_t argN4 = 0 , size_t argN5 = 0 , size_t argN6 = 0 , size_t argN7 = 0
+                )
+    : dimension { argN0 , argN1 , argN2 , argN3 , argN4 , argN5 , argN6 , argN7 } {}
+};
+
+} // namespace Experimental
+#endif
+
+
+// For use with view_copy
+template < typename ... Layout >
+struct layout_iterate_type_selector {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Default ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Default ;
+};
+
+template <>
+struct layout_iterate_type_selector< Kokkos::LayoutRight > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
+};
+
+template <>
+struct layout_iterate_type_selector< Kokkos::LayoutLeft > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
+};
+
+template <>
+struct layout_iterate_type_selector< Kokkos::LayoutStride > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Default ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Default ;
+};
+
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
+struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Left, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
+};
+
+template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
+struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Left, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
+};
+
+template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
+struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Right, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
+};
+
+template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
+struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Right, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
+  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
+  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
+};
+#endif
+
 } // namespace Kokkos
 
 #endif // #ifndef KOKKOS_LAYOUT_HPP
diff --git a/lib/kokkos/core/src/Kokkos_Macros.hpp b/lib/kokkos/core/src/Kokkos_Macros.hpp
index 0cd19d2237..96bd23e220 100644
--- a/lib/kokkos/core/src/Kokkos_Macros.hpp
+++ b/lib/kokkos/core/src/Kokkos_Macros.hpp
@@ -153,7 +153,7 @@
     #else
       #define KOKKOS_LAMBDA [=]__host__ __device__
 
-      #if defined( KOKKOS_ENABLE_CXX1Z )
+      #if defined( KOKKOS_ENABLE_CXX17 ) || defined( KOKKOS_ENABLE_CXX20 )
         #define KOKKOS_CLASS_LAMBDA        [=,*this] __host__ __device__
       #endif
     #endif
@@ -213,7 +213,7 @@
   #define KOKKOS_LAMBDA [=]
 #endif
 
-#if defined( KOKKOS_ENABLE_CXX1Z ) && !defined( KOKKOS_CLASS_LAMBDA )
+#if (defined( KOKKOS_ENABLE_CXX17 ) || defined( KOKKOS_ENABLE_CXX20) )&& !defined( KOKKOS_CLASS_LAMBDA )
   #define KOKKOS_CLASS_LAMBDA [=,*this]
 #endif
 
@@ -521,6 +521,9 @@
 #if defined ( KOKKOS_ENABLE_CUDA )
   #if ( 9000 <= CUDA_VERSION )
   #define KOKKOS_IMPL_CUDA_VERSION_9_WORKAROUND
+  #if ( __CUDA_ARCH__ )
+    #define KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  #endif
   #endif
 #endif
 
diff --git a/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp b/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
index 7bed7aa3dc..1900794514 100644
--- a/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
+++ b/lib/kokkos/core/src/Kokkos_Parallel_Reduce.hpp
@@ -793,7 +793,7 @@ struct ParallelReduceReturnValue<typename std::enable_if<
 
   static return_type return_value(ReturnType& return_val,
                                   const FunctorType& functor) {
-#ifdef KOKOOS_ENABLE_DEPRECATED_CODE
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     return return_type(return_val,functor.value_count);
 #else
     if ( is_array<ReturnType>::value )
@@ -1002,7 +1002,8 @@ void parallel_reduce(const std::string& label,
                      typename Impl::enable_if<
                        Kokkos::Impl::is_execution_policy<PolicyType>::value
                      >::type * = 0) {
-  Impl::ParallelReduceAdaptor<PolicyType,FunctorType,const ReturnType>::execute(label,policy,functor,return_value);
+  ReturnType return_value_impl = return_value;
+  Impl::ParallelReduceAdaptor<PolicyType,FunctorType,ReturnType>::execute(label,policy,functor,return_value_impl);
 }
 
 template< class PolicyType, class FunctorType, class ReturnType >
@@ -1054,6 +1055,9 @@ void parallel_reduce(const std::string& label,
                                      , typename ValueTraits::pointer_type
                                      >::type value_type ;
 
+  static_assert(Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,PolicyType,FunctorType>::
+                 has_final_member_function,"Calling parallel_reduce without either return value or final function.");
+
   typedef Kokkos::View< value_type
               , Kokkos::HostSpace
               , Kokkos::MemoryUnmanaged
@@ -1076,6 +1080,9 @@ void parallel_reduce(const PolicyType& policy,
                                      , typename ValueTraits::pointer_type
                                      >::type value_type ;
 
+  static_assert(Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,PolicyType,FunctorType>::
+                 has_final_member_function,"Calling parallel_reduce without either return value or final function.");
+
   typedef Kokkos::View< value_type
               , Kokkos::HostSpace
               , Kokkos::MemoryUnmanaged
@@ -1096,6 +1103,9 @@ void parallel_reduce(const size_t& policy,
                                      , typename ValueTraits::pointer_type
                                      >::type value_type ;
 
+  static_assert(Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,RangePolicy<>,FunctorType>::
+                 has_final_member_function,"Calling parallel_reduce without either return value or final function.");
+
   typedef Kokkos::View< value_type
               , Kokkos::HostSpace
               , Kokkos::MemoryUnmanaged
@@ -1117,6 +1127,9 @@ void parallel_reduce(const std::string& label,
                                      , typename ValueTraits::pointer_type
                                      >::type value_type ;
 
+  static_assert(Impl::FunctorAnalysis<Impl::FunctorPatternInterface::REDUCE,RangePolicy<>,FunctorType>::
+                 has_final_member_function,"Calling parallel_reduce without either return value or final function.");
+
   typedef Kokkos::View< value_type
               , Kokkos::HostSpace
               , Kokkos::MemoryUnmanaged
diff --git a/lib/kokkos/core/src/Kokkos_ScratchSpace.hpp b/lib/kokkos/core/src/Kokkos_ScratchSpace.hpp
index 4527dd4c14..86d803ccc9 100644
--- a/lib/kokkos/core/src/Kokkos_ScratchSpace.hpp
+++ b/lib/kokkos/core/src/Kokkos_ScratchSpace.hpp
@@ -136,6 +136,55 @@ public:
     }
   }
 
+
+  KOKKOS_INLINE_FUNCTION
+  void* get_shmem_aligned (const ptrdiff_t size, const ptrdiff_t alignment, int level = -1) const {
+    if(level == -1)
+      level = m_default_level;
+    if(level == 0) {
+
+      char* previous = m_iter_L0;
+      const ptrdiff_t missalign = size_t(m_iter_L0)%alignment;
+      if(missalign) m_iter_L0 += alignment-missalign;
+
+      void* tmp = m_iter_L0 + m_offset * size;
+      if (m_end_L0 < (m_iter_L0 += size * m_multiplier)) {
+        m_iter_L0 = previous; // put it back like it was
+        #ifdef KOKKOS_DEBUG
+        // mfh 23 Jun 2015: printf call consumes 25 registers
+        // in a CUDA build, so only print in debug mode.  The
+        // function still returns NULL if not enough memory.
+        printf ("ScratchMemorySpace<...>::get_shmem: Failed to allocate "
+                "%ld byte(s); remaining capacity is %ld byte(s)\n", long(size),
+                long(m_end_L0-m_iter_L0));
+        #endif // KOKKOS_DEBUG
+        tmp = 0;
+      }
+      return tmp;
+    } else {
+
+      char* previous = m_iter_L1;
+      const ptrdiff_t missalign =  size_t(m_iter_L1)%alignment;
+      if(missalign) m_iter_L1 += alignment-missalign;
+
+      void* tmp = m_iter_L1 + m_offset * size;
+      if (m_end_L1 < (m_iter_L1 += size * m_multiplier)) {
+        m_iter_L1 = previous; // put it back like it was
+        #ifdef KOKKOS_DEBUG
+        // mfh 23 Jun 2015: printf call consumes 25 registers
+        // in a CUDA build, so only print in debug mode.  The
+        // function still returns NULL if not enough memory.
+        printf ("ScratchMemorySpace<...>::get_shmem: Failed to allocate "
+                "%ld byte(s); remaining capacity is %ld byte(s)\n", long(size),
+                long(m_end_L1-m_iter_L1));
+        #endif // KOKKOS_DEBUG
+        tmp = 0;
+      }
+      return tmp;
+
+    }
+  }
+
   template< typename IntType >
   KOKKOS_INLINE_FUNCTION
   ScratchMemorySpace( void * ptr_L0 , const IntType & size_L0 , void * ptr_L1 = NULL , const IntType & size_L1 = 0)
diff --git a/lib/kokkos/core/src/Kokkos_Serial.hpp b/lib/kokkos/core/src/Kokkos_Serial.hpp
index 911aba8922..01701e53a2 100644
--- a/lib/kokkos/core/src/Kokkos_Serial.hpp
+++ b/lib/kokkos/core/src/Kokkos_Serial.hpp
@@ -262,7 +262,7 @@ public:
   }
 
   //----------------------------------------
-
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
   static
   int team_size_max( const FunctorType & ) { return 1 ; }
@@ -274,6 +274,16 @@ public:
   template< class FunctorType >
   static
   int team_size_recommended( const FunctorType & , const int& ) { return 1 ; }
+#endif
+
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelForTag& ) const { return 1 ; }
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelReduceTag& ) const { return 1 ; }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelForTag& ) const { return 1 ; }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelReduceTag& ) const { return 1 ; }
 
   //----------------------------------------
 
@@ -281,6 +291,16 @@ public:
   inline int league_size() const { return m_league_size ; }
   inline size_t scratch_size(const int& level, int = 0) const { return m_team_scratch_size[level] + m_thread_scratch_size[level]; }
 
+  inline static
+  int vector_length_max()
+    { return 1024; } // Use arbitrary large number, is meant as a vectorizable length
+
+  inline static
+  int scratch_size_max(int level)
+  { return (level==0?
+        1024*32:
+        20*1024*1024);
+  }
   /** \brief  Specify league size, request team size */
   TeamPolicyInternal( execution_space &
             , int league_size_request
diff --git a/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp b/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
index c3185853dc..5045e9cbbc 100644
--- a/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
+++ b/lib/kokkos/core/src/Kokkos_TaskScheduler.hpp
@@ -624,7 +624,6 @@ public:
   when_all( Future< A1 , A2 > const arg[] , int narg )
     {
       using future_type = Future< execution_space > ;
-      using task_base   = Kokkos::Impl::TaskBase< void , void , void > ;
 
       future_type f ;
 
@@ -692,7 +691,6 @@ public:
     {
       using input_type  = decltype( func(0) );
       using future_type = Future< execution_space > ;
-      using task_base   = Kokkos::Impl::TaskBase< void , void , void > ;
 
       static_assert( is_future< input_type >::value
                    , "Functor must return a Kokkos::Future" );
diff --git a/lib/kokkos/core/src/Kokkos_View.hpp b/lib/kokkos/core/src/Kokkos_View.hpp
index 70301884c3..da49aff222 100644
--- a/lib/kokkos/core/src/Kokkos_View.hpp
+++ b/lib/kokkos/core/src/Kokkos_View.hpp
@@ -707,10 +707,17 @@ public:
   //----------------------------------------
   // Allow specializations to query their specialized map
 
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   KOKKOS_INLINE_FUNCTION
   const Kokkos::Impl::ViewMapping< traits , void > &
   implementation_map() const { return m_map ; }
-
+#endif
+  KOKKOS_INLINE_FUNCTION
+  const Kokkos::Impl::ViewMapping< traits , void > &
+  impl_map() const { return m_map ; }
+  KOKKOS_INLINE_FUNCTION
+  const Kokkos::Impl::SharedAllocationTracker &
+  impl_track() const { return m_track ; }
   //----------------------------------------
 
 private:
@@ -752,423 +759,421 @@ private:
 #endif
 
 public:
-
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-  template< class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<( Kokkos::Impl::are_integral<Args...>::value
-                            && ( 0 == Rank )
-                          ), reference_type >::type
-  operator()( Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,args...) )
-      return m_map.reference();
-    }
+   template< class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<( Kokkos::Impl::are_integral<Args...>::value
+                             && ( 0 == Rank )
+                           ), reference_type >::type
+   operator()( Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,args...) )
+       return m_map.reference();
+     }
 
-  template< typename I0
-             , class ... Args>
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,Args...>::value
-      && ( 1 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0,
-              Args ... args) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
-      return m_map.reference(i0);
-    }
+   template< typename I0
+              , class ... Args>
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,Args...>::value
+       && ( 1 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0,
+               Args ... args) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
+       return m_map.reference(i0);
+     }
 
-  template< typename I0
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,Args...>::value
-      && ( 1 == Rank )
-      && is_default_map
-      && ! is_layout_stride
-    ), reference_type >::type
-  operator()( const I0 & i0
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
-      return m_map.m_handle[ i0 ];
-    }
+   template< typename I0
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,Args...>::value
+       && ( 1 == Rank )
+       && is_default_map
+       && ! is_layout_stride
+     ), reference_type >::type
+   operator()( const I0 & i0
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
+       return m_map.m_impl_handle[ i0 ];
+     }
 
-  template< typename I0
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,Args...>::value
-      && ( 1 == Rank )
-      && is_default_map
-      && is_layout_stride
-    ), reference_type >::type
-  operator()( const I0 & i0
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
-      return m_map.m_handle[ m_map.m_offset.m_stride.S0 * i0 ];
-    }
+   template< typename I0
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,Args...>::value
+       && ( 1 == Rank )
+       && is_default_map
+       && is_layout_stride
+     ), reference_type >::type
+   operator()( const I0 & i0
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * i0 ];
+     }
 
-  //------------------------------
-    // Rank 1 operator[]
+   //------------------------------
+     // Rank 1 operator[]
+
+     template< typename I0 >
+     KOKKOS_FORCEINLINE_FUNCTION
+     typename std::enable_if<
+       ( Kokkos::Impl::are_integral<I0>::value
+         && ( 1 == Rank )
+         && ! is_default_map
+       ), reference_type >::type
+     operator[]( const I0 & i0 ) const
+       {
+         KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
+         return m_map.reference(i0);
+       }
 
     template< typename I0 >
-    KOKKOS_FORCEINLINE_FUNCTION
-    typename std::enable_if<
-      ( Kokkos::Impl::are_integral<I0>::value
-        && ( 1 == Rank )
-        && ! is_default_map
-      ), reference_type >::type
-    operator[]( const I0 & i0 ) const
-      {
-        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-        return m_map.reference(i0);
-      }
+     KOKKOS_FORCEINLINE_FUNCTION
+     typename std::enable_if<
+       ( Kokkos::Impl::are_integral<I0>::value
+         && ( 1 == Rank )
+         && is_default_map
+         && ! is_layout_stride
+       ), reference_type >::type
+     operator[]( const I0 & i0 ) const
+       {
+         KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
+         return m_map.m_impl_handle[ i0 ];
+       }
 
-    template< typename I0 >
-    KOKKOS_FORCEINLINE_FUNCTION
-    typename std::enable_if<
-      ( Kokkos::Impl::are_integral<I0>::value
-        && ( 1 == Rank )
-        && is_default_map
-        && ! is_layout_stride
-      ), reference_type >::type
-    operator[]( const I0 & i0 ) const
-      {
-        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-        return m_map.m_handle[ i0 ];
-      }
+     template< typename I0 >
+     KOKKOS_FORCEINLINE_FUNCTION
+     typename std::enable_if<
+       ( Kokkos::Impl::are_integral<I0>::value
+         && ( 1 == Rank )
+         && is_default_map
+         && is_layout_stride
+       ), reference_type >::type
+     operator[]( const I0 & i0 ) const
+       {
+         KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
+         return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * i0 ];
+       }
 
-    template< typename I0 >
-    KOKKOS_FORCEINLINE_FUNCTION
-    typename std::enable_if<
-      ( Kokkos::Impl::are_integral<I0>::value
-        && ( 1 == Rank )
-        && is_default_map
-        && is_layout_stride
-      ), reference_type >::type
-    operator[]( const I0 & i0 ) const
-      {
-        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-        return m_map.m_handle[ m_map.m_offset.m_stride.S0 * i0 ];
-      }
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.reference(i0,i1);
+     }
+
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && is_default_map
+       && is_layout_left && ( traits::rank_dynamic == 0 )
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_dim.N0 * i1 ];
+     }
+
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && is_default_map
+       && is_layout_left && ( traits::rank_dynamic != 0 )
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_stride * i1 ];
+     }
+
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && is_default_map
+       && is_layout_right && ( traits::rank_dynamic == 0 )
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_dim.N1 * i0 ];
+     }
+
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && is_default_map
+       && is_layout_right && ( traits::rank_dynamic != 0 )
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_stride * i0 ];
+     }
+
+   template< typename I0 , typename I1
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
+       && ( 2 == Rank )
+       && is_default_map
+       && is_layout_stride
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
+       return m_map.m_impl_handle[ i0 * m_map.m_impl_offset.m_stride.S0 +
+                              i1 * m_map.m_impl_offset.m_stride.S1 ];
+     }
+
+   //------------------------------
+   // Rank 3
+
+   template< typename I0 , typename I1 , typename I2
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,Args...>::value
+       && ( 3 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,Args...>::value
+       && ( 3 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,args...) )
+       return m_map.reference(i0,i1,i2);
+     }
+
+   //------------------------------
+   // Rank 4
+
+ template< typename I0 , typename I1 , typename I2 , typename I3
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,Args...>::value
+       && ( 4 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,Args...>::value
+       && ( 4 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,args...) )
+       return m_map.reference(i0,i1,i2,i3);
+     }
+
+   //------------------------------
+   // Rank 5
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,Args...>::value
+       && ( 5 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,Args...>::value
+       && ( 5 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,args...) )
+       return m_map.reference(i0,i1,i2,i3,i4);
+     }
+
+   //------------------------------
+   // Rank 6
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,Args...>::value
+       && ( 6 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,Args...>::value
+       && ( 6 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,args...) )
+       return m_map.reference(i0,i1,i2,i3,i4,i5);
+     }
+
+   //------------------------------
+   // Rank 7
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5 , typename I6
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,Args...>::value
+       && ( 7 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5 , const I6 & i6
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5 , typename I6
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,Args...>::value
+       && ( 7 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5 , const I6 & i6
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,args...) )
+       return m_map.reference(i0,i1,i2,i3,i4,i5,i6);
+     }
+
+   //------------------------------
+   // Rank 8
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5 , typename I6 , typename I7
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7,Args...>::value
+       && ( 8 == Rank )
+       && is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7,args...) )
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
+     }
+
+   template< typename I0 , typename I1 , typename I2 , typename I3
+           , typename I4 , typename I5 , typename I6 , typename I7
+           , class ... Args >
+   KOKKOS_FORCEINLINE_FUNCTION
+   typename std::enable_if<
+     ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7,Args...>::value
+       && ( 8 == Rank )
+       && ! is_default_map
+     ), reference_type >::type
+   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
+             , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7
+             , Args ... args ) const
+     {
+       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7,args...) )
+       return m_map.reference(i0,i1,i2,i3,i4,i5,i6,i7);
+     }
 
 
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.reference(i0,i1);
-    }
-
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && is_default_map
-      && is_layout_left && ( traits::rank_dynamic == 0 )
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.m_handle[ i0 + m_map.m_offset.m_dim.N0 * i1 ];
-    }
-
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && is_default_map
-      && is_layout_left && ( traits::rank_dynamic != 0 )
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.m_handle[ i0 + m_map.m_offset.m_stride * i1 ];
-    }
-
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && is_default_map
-      && is_layout_right && ( traits::rank_dynamic == 0 )
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.m_handle[ i1 + m_map.m_offset.m_dim.N1 * i0 ];
-    }
-
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && is_default_map
-      && is_layout_right && ( traits::rank_dynamic != 0 )
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.m_handle[ i1 + m_map.m_offset.m_stride * i0 ];
-    }
-
-  template< typename I0 , typename I1
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,Args...>::value
-      && ( 2 == Rank )
-      && is_default_map
-      && is_layout_stride
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-      return m_map.m_handle[ i0 * m_map.m_offset.m_stride.S0 +
-                             i1 * m_map.m_offset.m_stride.S1 ];
-    }
-
-  //------------------------------
-  // Rank 3
-
-  template< typename I0 , typename I1 , typename I2
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,Args...>::value
-      && ( 3 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,Args...>::value
-      && ( 3 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,args...) )
-      return m_map.reference(i0,i1,i2);
-    }
-
-  //------------------------------
-  // Rank 4
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,Args...>::value
-      && ( 4 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,Args...>::value
-      && ( 4 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,args...) )
-      return m_map.reference(i0,i1,i2,i3);
-    }
-
-  //------------------------------
-  // Rank 5
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,Args...>::value
-      && ( 5 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,Args...>::value
-      && ( 5 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,args...) )
-      return m_map.reference(i0,i1,i2,i3,i4);
-    }
-
-  //------------------------------
-  // Rank 6
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,Args...>::value
-      && ( 6 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,Args...>::value
-      && ( 6 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,args...) )
-      return m_map.reference(i0,i1,i2,i3,i4,i5);
-    }
-
-  //------------------------------
-  // Rank 7
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5 , typename I6
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,Args...>::value
-      && ( 7 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5 , const I6 & i6
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5 , typename I6
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,Args...>::value
-      && ( 7 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5 , const I6 & i6
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,args...) )
-      return m_map.reference(i0,i1,i2,i3,i4,i5,i6);
-    }
-
-  //------------------------------
-  // Rank 8
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5 , typename I6 , typename I7
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7,Args...>::value
-      && ( 8 == Rank )
-      && is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7,args...) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
-    }
-
-  template< typename I0 , typename I1 , typename I2 , typename I3
-          , typename I4 , typename I5 , typename I6 , typename I7
-          , class ... Args >
-  KOKKOS_FORCEINLINE_FUNCTION
-  typename std::enable_if<
-    ( Kokkos::Impl::are_integral<I0,I1,I2,I3,I4,I5,I6,I7,Args...>::value
-      && ( 8 == Rank )
-      && ! is_default_map
-    ), reference_type >::type
-  operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
-            , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7
-            , Args ... args ) const
-    {
-      KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7,args...) )
-      return m_map.reference(i0,i1,i2,i3,i4,i5,i6,i7);
-    }
-
-
- #else
+  #else
   //------------------------------
   // Rank 0 operator()
 
@@ -1206,7 +1211,7 @@ public:
   operator()( const I0 & i0 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-      return m_map.m_handle[ i0 ];
+      return m_map.m_impl_handle[ i0 ];
     }
 
   template< typename I0 >
@@ -1220,7 +1225,7 @@ public:
   operator()( const I0 & i0) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-      return m_map.m_handle[ m_map.m_offset.m_stride.S0 * i0 ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * i0 ];
     }
   //------------------------------
     // Rank 1 operator[]
@@ -1249,7 +1254,7 @@ public:
     operator[]( const I0 & i0 ) const
       {
         KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-        return m_map.m_handle[ i0 ];
+        return m_map.m_impl_handle[ i0 ];
       }
 
     template< typename I0 >
@@ -1263,7 +1268,7 @@ public:
     operator[]( const I0 & i0 ) const
       {
         KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0) )
-        return m_map.m_handle[ m_map.m_offset.m_stride.S0 * i0 ];
+        return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * i0 ];
       }
 
 
@@ -1294,7 +1299,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1) )
-      return m_map.m_handle[ i0 + m_map.m_offset.m_dim.N0 * i1 ];
+      return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_dim.N0 * i1 ];
     }
 
   template< typename I0 , typename I1>
@@ -1308,7 +1313,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1) )
-      return m_map.m_handle[ i0 + m_map.m_offset.m_stride * i1 ];
+      return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_stride * i1 ];
     }
 
   template< typename I0 , typename I1 >
@@ -1322,7 +1327,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1) )
-      return m_map.m_handle[ i1 + m_map.m_offset.m_dim.N1 * i0 ];
+      return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_dim.N1 * i0 ];
     }
 
   template< typename I0 , typename I1 >
@@ -1336,7 +1341,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1) )
-      return m_map.m_handle[ i1 + m_map.m_offset.m_stride * i0 ];
+      return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_stride * i0 ];
     }
 
   template< typename I0 , typename I1>
@@ -1350,8 +1355,8 @@ public:
   operator()( const I0 & i0 , const I1 & i1 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1) )
-      return m_map.m_handle[ i0 * m_map.m_offset.m_stride.S0 +
-                             i1 * m_map.m_offset.m_stride.S1 ];
+      return m_map.m_impl_handle[ i0 * m_map.m_impl_offset.m_stride.S0 +
+                             i1 * m_map.m_impl_offset.m_stride.S1 ];
     }
 
   //------------------------------
@@ -1367,7 +1372,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2) ];
     }
 
   template< typename I0 , typename I1 , typename I2>
@@ -1396,7 +1401,7 @@ public:
   operator()( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3) ];
     }
 
   template< typename I0 , typename I1 , typename I2 , typename I3 >
@@ -1427,7 +1432,7 @@ public:
             , const I4 & i4 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4) ];
     }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1460,7 +1465,7 @@ public:
             , const I4 & i4 , const I5 & i5 ) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5) ];
     }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1493,7 +1498,7 @@ public:
             , const I4 & i4 , const I5 & i5 , const I6 & i6) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6) ];
     }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1526,7 +1531,7 @@ public:
             , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7) const
     {
       KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7) )
-      return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
+      return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
     }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1545,7 +1550,6 @@ public:
     }
 
 #endif
-
   template< class ... Args >
   KOKKOS_FORCEINLINE_FUNCTION
   typename std::enable_if<( Kokkos::Impl::are_integral<Args...>::value
@@ -1585,7 +1589,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
-       return m_map.m_handle[ i0 ];
+       return m_map.m_impl_handle[ i0 ];
      }
 
    template< typename I0
@@ -1601,7 +1605,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,args...) )
-       return m_map.m_handle[ m_map.m_offset.m_stride.S0 * i0 ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset.m_stride.S0 * i0 ];
      }
 
    template< typename I0 , typename I1
@@ -1632,7 +1636,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-       return m_map.m_handle[ i0 + m_map.m_offset.m_dim.N0 * i1 ];
+       return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_dim.N0 * i1 ];
      }
 
    template< typename I0 , typename I1
@@ -1648,7 +1652,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-       return m_map.m_handle[ i0 + m_map.m_offset.m_stride * i1 ];
+       return m_map.m_impl_handle[ i0 + m_map.m_impl_offset.m_stride * i1 ];
      }
 
    template< typename I0 , typename I1
@@ -1664,7 +1668,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-       return m_map.m_handle[ i1 + m_map.m_offset.m_dim.N1 * i0 ];
+       return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_dim.N1 * i0 ];
      }
 
    template< typename I0 , typename I1
@@ -1680,7 +1684,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-       return m_map.m_handle[ i1 + m_map.m_offset.m_stride * i0 ];
+       return m_map.m_impl_handle[ i1 + m_map.m_impl_offset.m_stride * i0 ];
      }
 
    template< typename I0 , typename I1
@@ -1696,8 +1700,8 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,args...) )
-       return m_map.m_handle[ i0 * m_map.m_offset.m_stride.S0 +
-                              i1 * m_map.m_offset.m_stride.S1 ];
+       return m_map.m_impl_handle[ i0 * m_map.m_impl_offset.m_stride.S0 +
+                              i1 * m_map.m_impl_offset.m_stride.S1 ];
      }
 
    //------------------------------
@@ -1715,7 +1719,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2) ];
      }
 
    template< typename I0 , typename I1 , typename I2
@@ -1748,7 +1752,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3) ];
      }
 
    template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1783,7 +1787,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4) ];
      }
 
    template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1820,7 +1824,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5) ];
      }
 
    template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1857,7 +1861,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6) ];
      }
 
    template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1894,7 +1898,7 @@ public:
              , Args ... args ) const
      {
        KOKKOS_IMPL_VIEW_OPERATOR_VERIFY( (m_track,m_map,i0,i1,i2,i3,i4,i5,i6,i7,args...) )
-       return m_map.m_handle[ m_map.m_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
+       return m_map.m_impl_handle[ m_map.m_impl_offset(i0,i1,i2,i3,i4,i5,i6,i7) ];
      }
 
    template< typename I0 , typename I1 , typename I2 , typename I3
@@ -1938,6 +1942,8 @@ public:
   KOKKOS_INLINE_FUNCTION
   View & operator = ( View && rhs ) { m_track = std::move(rhs.m_track) ; m_map = std::move(rhs.m_map) ; return *this ; }
 
+
+
   //----------------------------------------
   // Compatible view copy constructor and assignment
   // may assign unmanaged from managed.
@@ -2206,7 +2212,8 @@ public:
               , arg_N4 , arg_N5 , arg_N6 , arg_N7 )
           )
     {
-
+      static_assert ( traits::array_layout::is_extent_constructible , "Layout is not extent constructible. A layout object should be passed too.\n" );
+	  
 #ifdef KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST
     Impl::runtime_check_rank_host(traits::rank_dynamic, std::is_same<typename traits::specialize,void>::value, arg_N0, arg_N1, arg_N2, arg_N3,
                              arg_N4, arg_N5, arg_N6, arg_N7, label());
@@ -2257,6 +2264,15 @@ public:
 #endif
 
     }
+  template <class Traits>
+  KOKKOS_INLINE_FUNCTION
+  View( const track_type & track,  const Kokkos::Impl::ViewMapping< Traits , void >  &map ) :
+  m_track(track), m_map()
+  {
+    typedef Kokkos::Impl::ViewMapping< traits , Traits , void >  Mapping ;
+    static_assert( Mapping::is_assignable , "Incompatible View copy construction" );
+    Mapping::assign( m_map , map , track );
+  }
 
   //----------------------------------------
   // Memory span required to wrap these dimensions.
@@ -2346,7 +2362,7 @@ public:
   static inline
   size_t shmem_size( typename traits::array_layout const& arg_layout )
   {
-    return map_type::memory_span( arg_layout );
+    return map_type::memory_span( arg_layout )+sizeof(typename traits::value_type);
   }
 
   explicit KOKKOS_INLINE_FUNCTION
@@ -2354,7 +2370,7 @@ public:
       , const typename traits::array_layout & arg_layout )
     : View( Impl::ViewCtorProp<pointer_type>(
               reinterpret_cast<pointer_type>(
-                arg_space.get_shmem( map_type::memory_span( arg_layout ) ) ) )
+                arg_space.get_shmem_aligned( map_type::memory_span( arg_layout ), sizeof(typename traits::value_type) ) ) )
          , arg_layout )
     {}
 
@@ -2370,11 +2386,11 @@ public:
       , const size_t arg_N7 = KOKKOS_IMPL_CTOR_DEFAULT_ARG )
     : View( Impl::ViewCtorProp<pointer_type>(
               reinterpret_cast<pointer_type>(
-                arg_space.get_shmem(
+                arg_space.get_shmem_aligned(
                   map_type::memory_span(
                     typename traits::array_layout
                      ( arg_N0 , arg_N1 , arg_N2 , arg_N3
-                     , arg_N4 , arg_N5 , arg_N6 , arg_N7 ) ) ) ) )
+                     , arg_N4 , arg_N5 , arg_N6 , arg_N7 ) ), sizeof(typename traits::value_type) ) ) )
           , typename traits::array_layout
              ( arg_N0 , arg_N1 , arg_N2 , arg_N3
              , arg_N4 , arg_N5 , arg_N6 , arg_N7 )
@@ -2515,209 +2531,6 @@ void shared_allocation_tracking_enable()
 } /* namespace Impl */
 } /* namespace Kokkos */
 
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-//----------------------------------------------------------------------------
-//----------------------------------------------------------------------------
-
-namespace Kokkos {
-namespace Impl {
-
-// Deduce Mirror Types
-template<class Space, class T, class ... P>
-struct MirrorViewType {
-  // The incoming view_type
-  typedef typename Kokkos::View<T,P...> src_view_type;
-  // The memory space for the mirror view
-  typedef typename Space::memory_space memory_space;
-  // Check whether it is the same memory space
-  enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
-  // The array_layout
-  typedef typename src_view_type::array_layout array_layout;
-  // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
-  typedef typename src_view_type::non_const_data_type data_type;
-  // The destination view type if it is not the same memory space
-  typedef Kokkos::View<data_type,array_layout,Space> dest_view_type;
-  // If it is the same memory_space return the existsing view_type
-  // This will also keep the unmanaged trait if necessary
-  typedef typename std::conditional<is_same_memspace,src_view_type,dest_view_type>::type view_type;
-};
-
-template<class Space, class T, class ... P>
-struct MirrorType {
-  // The incoming view_type
-  typedef typename Kokkos::View<T,P...> src_view_type;
-  // The memory space for the mirror view
-  typedef typename Space::memory_space memory_space;
-  // Check whether it is the same memory space
-  enum { is_same_memspace = std::is_same<memory_space,typename src_view_type::memory_space>::value };
-  // The array_layout
-  typedef typename src_view_type::array_layout array_layout;
-  // The data type (we probably want it non-const since otherwise we can't even deep_copy to it.
-  typedef typename src_view_type::non_const_data_type data_type;
-  // The destination view type if it is not the same memory space
-  typedef Kokkos::View<data_type,array_layout,Space> view_type;
-};
-
-}
-
-template< class T , class ... P >
-inline
-typename Kokkos::View<T,P...>::HostMirror
-create_mirror( const Kokkos::View<T,P...> & src
-             , typename std::enable_if<
-                 ! std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
-                               , Kokkos::LayoutStride >::value
-               >::type * = 0
-             )
-{
-  typedef View<T,P...>                   src_type ;
-  typedef typename src_type::HostMirror  dst_type ;
-
-  return dst_type( std::string( src.label() ).append("_mirror")
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-                   , src.extent(0)
-                   , src.extent(1)
-                   , src.extent(2)
-                   , src.extent(3)
-                   , src.extent(4)
-                   , src.extent(5)
-                   , src.extent(6)
-                   , src.extent(7) );
-#else
-                 , src.rank_dynamic > 0 ? src.extent(0): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 1 ? src.extent(1): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 2 ? src.extent(2): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 3 ? src.extent(3): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 4 ? src.extent(4): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 5 ? src.extent(5): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 6 ? src.extent(6): KOKKOS_IMPL_CTOR_DEFAULT_ARG
-                 , src.rank_dynamic > 7 ? src.extent(7): KOKKOS_IMPL_CTOR_DEFAULT_ARG );
-#endif
-}
-
-template< class T , class ... P >
-inline
-typename Kokkos::View<T,P...>::HostMirror
-create_mirror( const Kokkos::View<T,P...> & src
-             , typename std::enable_if<
-                 std::is_same< typename Kokkos::ViewTraits<T,P...>::array_layout
-                             , Kokkos::LayoutStride >::value
-               >::type * = 0
-             )
-{
-  typedef View<T,P...>                   src_type ;
-  typedef typename src_type::HostMirror  dst_type ;
-
-  Kokkos::LayoutStride layout ;
-
-  layout.dimension[0] = src.extent(0);
-  layout.dimension[1] = src.extent(1);
-  layout.dimension[2] = src.extent(2);
-  layout.dimension[3] = src.extent(3);
-  layout.dimension[4] = src.extent(4);
-  layout.dimension[5] = src.extent(5);
-  layout.dimension[6] = src.extent(6);
-  layout.dimension[7] = src.extent(7);
-
-  layout.stride[0] = src.stride_0();
-  layout.stride[1] = src.stride_1();
-  layout.stride[2] = src.stride_2();
-  layout.stride[3] = src.stride_3();
-  layout.stride[4] = src.stride_4();
-  layout.stride[5] = src.stride_5();
-  layout.stride[6] = src.stride_6();
-  layout.stride[7] = src.stride_7();
-
-  return dst_type( std::string( src.label() ).append("_mirror") , layout );
-}
-
-
-// Create a mirror in a new space (specialization for different space)
-template<class Space, class T, class ... P>
-typename Impl::MirrorType<Space,T,P ...>::view_type create_mirror(const Space& , const Kokkos::View<T,P...> & src) {
-  return typename Impl::MirrorType<Space,T,P ...>::view_type(src.label(),src.layout());
-}
-
-template< class T , class ... P >
-inline
-typename Kokkos::View<T,P...>::HostMirror
-create_mirror_view( const Kokkos::View<T,P...> & src
-                  , typename std::enable_if<(
-                      std::is_same< typename Kokkos::View<T,P...>::memory_space
-                                  , typename Kokkos::View<T,P...>::HostMirror::memory_space
-                                  >::value
-                      &&
-                      std::is_same< typename Kokkos::View<T,P...>::data_type
-                                  , typename Kokkos::View<T,P...>::HostMirror::data_type
-                                  >::value
-                    )>::type * = 0
-                  )
-{
-  return src ;
-}
-
-template< class T , class ... P >
-inline
-typename Kokkos::View<T,P...>::HostMirror
-create_mirror_view( const Kokkos::View<T,P...> & src
-                  , typename std::enable_if< ! (
-                      std::is_same< typename Kokkos::View<T,P...>::memory_space
-                                  , typename Kokkos::View<T,P...>::HostMirror::memory_space
-                                  >::value
-                      &&
-                      std::is_same< typename Kokkos::View<T,P...>::data_type
-                                  , typename Kokkos::View<T,P...>::HostMirror::data_type
-                                  >::value
-                    )>::type * = 0
-                  )
-{
-  return Kokkos::create_mirror( src );
-}
-
-// Create a mirror view in a new space (specialization for same space)
-template<class Space, class T, class ... P>
-typename Impl::MirrorViewType<Space,T,P ...>::view_type
-create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
-  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
-  return src;
-}
-
-// Create a mirror view in a new space (specialization for different space)
-template<class Space, class T, class ... P>
-typename Impl::MirrorViewType<Space,T,P ...>::view_type
-create_mirror_view(const Space& , const Kokkos::View<T,P...> & src
-  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
-  return typename Impl::MirrorViewType<Space,T,P ...>::view_type(src.label(),src.layout());
-}
-
-// Create a mirror view and deep_copy in a new space (specialization for same space)
-template<class Space, class T, class ... P>
-typename Impl::MirrorViewType<Space,T,P ...>::view_type
-create_mirror_view_and_copy(const Space& , const Kokkos::View<T,P...> & src
-  , std::string const& name = ""
-  , typename std::enable_if<Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
-  (void)name;
-  return src;
-}
-
-// Create a mirror view and deep_copy in a new space (specialization for different space)
-template<class Space, class T, class ... P>
-typename Impl::MirrorViewType<Space,T,P ...>::view_type
-create_mirror_view_and_copy(const Space& , const Kokkos::View<T,P...> & src
-  , std::string const& name = ""
-  , typename std::enable_if<!Impl::MirrorViewType<Space,T,P ...>::is_same_memspace>::type* = 0 ) {
-  using Mirror = typename Impl::MirrorViewType<Space,T,P ...>::view_type;
-  std::string label = name.empty() ? src.label() : name;
-  auto mirror = Mirror(ViewAllocateWithoutInitializing(label), src.layout());
-  deep_copy(mirror, src);
-  return mirror;
-}
-
-} /* namespace Kokkos */
-
-
 //----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 
diff --git a/lib/kokkos/core/src/Makefile b/lib/kokkos/core/src/Makefile
index 6ee5fec716..c2dbddf45e 100644
--- a/lib/kokkos/core/src/Makefile
+++ b/lib/kokkos/core/src/Makefile
@@ -16,6 +16,7 @@ endif
 CXXFLAGS ?= -O3
 LINK ?= $(CXX)
 LDFLAGS ?=
+CP = cp
 
 include $(KOKKOS_PATH)/Makefile.kokkos
 include $(KOKKOS_PATH)/core/src/Makefile.generate_header_lists
@@ -50,7 +51,12 @@ ifeq ($(KOKKOS_OS),Linux)
   COPY_FLAG = -u
 endif
 ifeq ($(KOKKOS_OS),Darwin)
-  COPY_FLAG =
+  COPY_FLAG = 
+  # If Homebrew coreutils is installed, its cp will have the -u option
+  ifneq ("$(wildcard /usr/local/opt/coreutils/libexec/gnubin/cp)","")
+    CP = /usr/local/opt/coreutils/libexec/gnubin/cp
+    COPY_FLAG = -u
+  endif
 endif
 
 ifeq ($(KOKKOS_DEBUG),"no")
@@ -66,36 +72,38 @@ mkdir:
 	mkdir -p $(PREFIX)/bin
 	mkdir -p $(PREFIX)/include
 	mkdir -p $(PREFIX)/lib
+	mkdir -p $(PREFIX)/lib/pkgconfig
 	mkdir -p $(PREFIX)/include/impl
 
 copy-cuda: mkdir
 	mkdir -p $(PREFIX)/include/Cuda
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_CUDA) $(PREFIX)/include/Cuda
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_CUDA) $(PREFIX)/include/Cuda
 
 copy-threads: mkdir
 	mkdir -p $(PREFIX)/include/Threads
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_THREADS) $(PREFIX)/include/Threads
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_THREADS) $(PREFIX)/include/Threads
 
 copy-qthreads: mkdir
 	mkdir -p $(PREFIX)/include/Qthreads
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_QTHREADS) $(PREFIX)/include/Qthreads
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_QTHREADS) $(PREFIX)/include/Qthreads
 
 copy-openmp: mkdir
 	mkdir -p $(PREFIX)/include/OpenMP
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_OPENMP) $(PREFIX)/include/OpenMP
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_OPENMP) $(PREFIX)/include/OpenMP
 
 copy-rocm: mkdir
 	mkdir -p $(PREFIX)/include/ROCm
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_ROCM) $(PREFIX)/include/ROCm
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_ROCM) $(PREFIX)/include/ROCm
 
 install: mkdir $(CONDITIONAL_COPIES) build-lib generate_build_settings
-	cp $(COPY_FLAG) $(NVCC_WRAPPER) $(PREFIX)/bin
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_INCLUDE) $(PREFIX)/include
-	cp $(COPY_FLAG) $(KOKKOS_HEADERS_INCLUDE_IMPL) $(PREFIX)/include/impl
-	cp $(COPY_FLAG) $(KOKKOS_MAKEFILE)  $(PREFIX)
-	cp $(COPY_FLAG) $(KOKKOS_CMAKEFILE)  $(PREFIX)
-	cp $(COPY_FLAG) libkokkos.a $(PREFIX)/lib
-	cp $(COPY_FLAG) $(KOKKOS_CONFIG_HEADER) $(PREFIX)/include
+	$(CP) $(COPY_FLAG) $(NVCC_WRAPPER) $(PREFIX)/bin
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_INCLUDE) $(PREFIX)/include
+	$(CP) $(COPY_FLAG) $(KOKKOS_HEADERS_INCLUDE_IMPL) $(PREFIX)/include/impl
+	$(CP) $(COPY_FLAG) $(KOKKOS_MAKEFILE)  $(PREFIX)
+	$(CP) $(COPY_FLAG) $(KOKKOS_CMAKEFILE)  $(PREFIX)
+	$(CP) $(COPY_FLAG) $(KOKKOS_PKGCONFIG)  $(PREFIX)/lib/pkgconfig
+	$(CP) $(COPY_FLAG) libkokkos.a $(PREFIX)/lib
+	$(CP) $(COPY_FLAG) $(KOKKOS_CONFIG_HEADER) $(PREFIX)/include
 
 clean: kokkos-clean
-	rm -f $(KOKKOS_MAKEFILE) $(KOKKOS_CMAKEFILE) 
+	rm -f $(KOKKOS_MAKEFILE) $(KOKKOS_CMAKEFILE) $(KOKKOS_PKGCONFIG) 
diff --git a/lib/kokkos/core/src/Makefile.generate_build_files b/lib/kokkos/core/src/Makefile.generate_build_files
index 7e0c6351fe..cc856ee9a3 100644
--- a/lib/kokkos/core/src/Makefile.generate_build_files
+++ b/lib/kokkos/core/src/Makefile.generate_build_files
@@ -5,6 +5,7 @@
 # These files are generated by this makefile
 KOKKOS_MAKEFILE=Makefile.kokkos
 KOKKOS_CMAKEFILE=kokkos_generated_settings.cmake
+KOKKOS_PKGCONFIG=kokkos.pc
 
 ifeq ($(KOKKOS_DEBUG),"no")
   KOKKOS_DEBUG_CMAKE = OFF
@@ -33,11 +34,29 @@ kokkos_append_var = $(call kokkos_appendvar_makefile,$1); $(call kokkos_appendva
 kokkos_append_var2 = $(call kokkos_appendvar2_makefile,$1); $(call kokkos_appendvar_cmakefile,$1,$2)
 kokkos_append_varval = $(call kokkos_appendval_makefile,$1,$2); $(call kokkos_appendval_cmakefile,$1,$2,$3)
 
+kokkos_fixup_sed_impl = sed \
+		-e 's|$(KOKKOS_PATH)/core/src|$(PREFIX)/include|g' \
+		-e 's|$(KOKKOS_PATH)/containers/src|$(PREFIX)/include|g' \
+		-e 's|$(KOKKOS_PATH)/algorithms/src|$(PREFIX)/include|g' \
+		-e 's|-L$(PWD)|-L$(PREFIX)/lib|g' \
+		-e 's|= libkokkos.a|= $(PREFIX)/lib/libkokkos.a|g' \
+		-e 's|= $(KOKKOS_CONFIG_HEADER)|= $(PREFIX)/include/$(KOKKOS_CONFIG_HEADER)|g' $1 \
+		> $1.tmp && mv -f $1.tmp $1
+
+$(KOKKOS_PKGCONFIG): $(KOKKOS_PATH)/core/src/$(KOKKOS_PKGCONFIG).in
+	@sed -e 's|@CMAKE_INSTALL_PREFIX@|$(PREFIX)|g' \
+	    -e 's|@KOKKOS_CXXFLAGS@|$(patsubst -I%,,$(KOKKOS_CXXFLAGS))|g' \
+	    -e 's|@KOKKOS_EXTRA_LIBS_LIST@|$(KOKKOS_EXTRA_LIBS)|g' \
+	    -e 's|@KOKKOS_LINK_FLAGS@|$(KOKKOS_LINK_FLAGS)|g' \
+	     $< > $@
+
+kokkos_fixup_sed = $(call kokkos_fixup_sed_impl,$(KOKKOS_MAKEFILE)); $(call kokkos_fixup_sed_impl,$(KOKKOS_CMAKEFILE))
+
 #This function should be used for variables whose values are different in GNU Make versus CMake,
 #especially lists which are delimited by commas in one case and semicolons in another
 kokkos_append_gmakevar = $(call kokkos_appendvar_makefile,$1); $(call kokkos_append_gmakevar_cmakefile,$1,$2)
 
-generate_build_settings: $(KOKKOS_CONFIG_HEADER)
+generate_build_settings: $(KOKKOS_CONFIG_HEADER) $(KOKKOS_PKGCONFIG)
 	@rm -f $(KOKKOS_MAKEFILE)
 	@rm -f $(KOKKOS_CMAKEFILE)
 	@$(call kokkos_append_string, "#Global Settings used to generate this library")
@@ -68,7 +87,6 @@ generate_build_settings: $(KOKKOS_CONFIG_HEADER)
 	@$(call kokkos_append_var,KOKKOS_HEADERS_ROCM,'STRING "Kokkos headers ROCm list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_THREADS,'STRING "Kokkos headers Threads list"')
 	@$(call kokkos_append_var,KOKKOS_HEADERS_QTHREADS,'STRING "Kokkos headers QThreads list"')
-	@$(call kokkos_append_var,KOKKOS_SRC,'STRING "Kokkos source list"')
 	@$(call kokkos_append_string,"")
 	@$(call kokkos_append_string,"#Variables used in application Makefiles")
 	@$(call kokkos_append_var,KOKKOS_OS,'STRING ""')  # This was not in original cmake gen
@@ -94,19 +112,11 @@ generate_build_settings: $(KOKKOS_CONFIG_HEADER)
 	@$(call kokkos_append_makefile,"#Fake kokkos-clean target")
 	@$(call kokkos_append_makefile,"kokkos-clean:")
 	@$(call kokkos_append_makefile,"")
-	@sed \
-		-e 's|$(KOKKOS_PATH)/core/src|$(PREFIX)/include|g' \
-		-e 's|$(KOKKOS_PATH)/containers/src|$(PREFIX)/include|g' \
-		-e 's|$(KOKKOS_PATH)/algorithms/src|$(PREFIX)/include|g' \
-		-e 's|-L$(PWD)|-L$(PREFIX)/lib|g' \
-		-e 's|= libkokkos.a|= $(PREFIX)/lib/libkokkos.a|g' \
-		-e 's|= $(KOKKOS_CONFIG_HEADER)|= $(PREFIX)/include/$(KOKKOS_CONFIG_HEADER)|g' $(KOKKOS_MAKEFILE) \
-		> $(KOKKOS_MAKEFILE).tmp
-	@mv -f $(KOKKOS_MAKEFILE).tmp $(KOKKOS_MAKEFILE)
+	@$(call kokkos_fixup_sed)
+	@$(call kokkos_append_var,KOKKOS_SRC,'STRING "Kokkos source list"')
 	@$(call kokkos_setvar_cmakefile,KOKKOS_CXX_FLAGS,$(KOKKOS_CXXFLAGS))
 	@$(call kokkos_setvar_cmakefile,KOKKOS_CPP_FLAGS,$(KOKKOS_CPPFLAGS))
 	@$(call kokkos_setvar_cmakefile,KOKKOS_LD_FLAGS,$(KOKKOS_LDFLAGS))
 	@$(call kokkos_setlist_cmakefile,KOKKOS_LIBS_LIST,$(KOKKOS_LIBS))
 	@$(call kokkos_setlist_cmakefile,KOKKOS_EXTRA_LIBS_LIST,$(KOKKOS_EXTRA_LIBS))
 	@$(call kokkos_setvar_cmakefile,KOKKOS_LINK_FLAGS,$(KOKKOS_LINK_FLAGS))
-
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
index 351f5f1ec2..2f2c768460 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Task.cpp
@@ -103,8 +103,6 @@ public:
 void TaskQueueSpecialization< Kokkos::OpenMP >::execute
   ( TaskQueue< Kokkos::OpenMP > * const queue )
 {
-  using execution_space = Kokkos::OpenMP ;
-  using queue_type      = TaskQueue< execution_space > ;
   using task_root_type  = TaskBase< void , void , void > ;
   using Member          = Impl::HostThreadTeamMember< execution_space > ;
 
@@ -213,8 +211,6 @@ void TaskQueueSpecialization< Kokkos::OpenMP >::
   iff_single_thread_recursive_execute
     ( TaskQueue< Kokkos::OpenMP > * const queue )
 {
-  using execution_space = Kokkos::OpenMP ;
-  using queue_type      = TaskQueue< execution_space > ;
   using task_root_type  = TaskBase< void , void , void > ;
   using Member          = Impl::HostThreadTeamMember< execution_space > ;
 
diff --git a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
index b530dca10f..e8fbc467e0 100644
--- a/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
+++ b/lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Team.hpp
@@ -76,14 +76,11 @@ public:
 
   //----------------------------------------
 
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
   inline static
   int team_size_max( const FunctorType & ) {
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     int pool_size = traits::execution_space::thread_pool_size(1);
-#else
-    int pool_size = traits::execution_space::impl_thread_pool_size(1);
-#endif
     int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
     return pool_size<max_host_team_size?pool_size:max_host_team_size;
   }
@@ -92,6 +89,47 @@ public:
   inline static
   int team_size_recommended( const FunctorType & )
   {
+    return traits::execution_space::thread_pool_size(2);
+  }
+
+  template< class FunctorType >
+  inline static
+  int team_size_recommended( const FunctorType &, const int& )
+  {
+    return traits::execution_space::thread_pool_size(2);
+  }
+#endif
+
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelForTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    int pool_size = traits::execution_space::thread_pool_size(1);
+#else
+    int pool_size = traits::execution_space::impl_thread_pool_size(1);
+#endif
+    int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
+    return pool_size<max_host_team_size?pool_size:max_host_team_size;
+  }
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelReduceTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    int pool_size = traits::execution_space::thread_pool_size(1);
+#else
+    int pool_size = traits::execution_space::impl_thread_pool_size(1);
+#endif
+    int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
+    return pool_size<max_host_team_size?pool_size:max_host_team_size;
+  }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelForTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    return traits::execution_space::thread_pool_size(2);
+#else
+    return traits::execution_space::impl_thread_pool_size(2);
+#endif
+  }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelReduceTag& ) const {
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     return traits::execution_space::thread_pool_size(2);
 #else
@@ -99,16 +137,17 @@ public:
 #endif
   }
 
-  template< class FunctorType >
+
   inline static
-  int team_size_recommended( const FunctorType &, const int& )
-  {
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-    return traits::execution_space::thread_pool_size(2);
-#else
-    return traits::execution_space::impl_thread_pool_size(2);
-#endif
-  }
+  int vector_length_max()
+    { return 1024; } // Use arbitrary large number, is meant as a vectorizable length
+
+  inline static
+  int scratch_size_max(int level)
+    { return (level==0?
+        1024*32: // Roughly L1 size
+        20*1024*1024); // Limit to keep compatibility with CUDA
+    }
 
   //----------------------------------------
 
diff --git a/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTargetSpace.cpp b/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTargetSpace.cpp
index 2d53670c8d..c7d4defad2 100644
--- a/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTargetSpace.cpp
+++ b/lib/kokkos/core/src/OpenMPTarget/Kokkos_OpenMPTargetSpace.cpp
@@ -160,7 +160,8 @@ SharedAllocationRecord( const Kokkos::Experimental::OpenMPTargetSpace & arg_spac
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
-  
+  // Set last element zero, in case c_str is too long
+  header.m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0; 
   //TODO DeepCopy
   // DeepCopy
 
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Config.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Config.hpp
index 71643458b4..87840bb37b 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Config.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Config.hpp
@@ -44,8 +44,8 @@
 #ifndef GUARD_CORE_KOKKOS_ROCM_CONFIG_HPP
 #define GUARD_CORE_KOKKOS_ROCM_CONFIG_HPP
 
-#ifndef KOKKOS_ROCM_HAS_WORKAROUNDS
-#define KOKKOS_ROCM_HAS_WORKAROUNDS 1
+#ifndef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
+#define KOKKOS_IMPL_ROCM_CLANG_WORKAROUND 1
 #endif
 
 #endif
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
index 1c2bf303cf..205e6a2955 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Exec.hpp
@@ -55,14 +55,14 @@ namespace Impl {
 
 struct ROCmTraits {
 // TODO: determine if needed
-  enum { WavefrontSize       = 64 /* 64  */ };
-  enum { WorkgroupSize       = 64 /* 64  */ };
-  enum { WavefrontIndexMask  = 0x001f  /* Mask for warpindex */ };
-  enum { WavefrontIndexShift = 5       /* WarpSize == 1 << WarpShift */ };
+  enum { WavefrontSize       = 64  /* 64  */ };
+  enum { WorkgroupSize       = 256 /* 256  */ };
+  enum { WavefrontIndexMask  = 0x003f  /* Mask for wavefrontindex */ };
+  enum { WavefrontIndexShift = 6   /* WavefrontSize == 1 << WavefrontShift */ };
 
-  enum { SharedMemoryBanks    = 32      /* Compute device 2.0 */ };
-  enum { SharedMemoryCapacity = 0x0C000 /* 48k shared / 16k L1 Cache */ };
-  enum { SharedMemoryUsage    = 0x04000 /* 16k shared / 48k L1 Cache */ };
+  enum { SharedMemoryBanks    = 64      /* GCN */ };
+  enum { SharedMemoryCapacity = 0x10000 /* 64k shared / 16k L1 Cache */ };
+  enum { SharedMemoryUsage    = 0x04000 /* 64k shared / 16k L1 Cache */ };
 
   enum { UpperBoundExtentCount    = 4294967295 /* Hard upper bound */ };
 #if 0
@@ -84,6 +84,16 @@ size_t rocm_internal_maximum_workgroup_count();
 size_t * rocm_internal_scratch_flags( const size_t size );
 size_t * rocm_internal_scratch_space( const size_t size );
 
+// This pointer is the start of dynamic shared memory (LDS).
+// Dynamic is at the end of LDS and it's size must be specified
+// in a tile_block specification at kernel launch time.
+template< typename T >
+KOKKOS_INLINE_FUNCTION
+T * kokkos_impl_rocm_shared_memory()
+//{ return (T*) hc::get_group_segment_base_pointer() ; }
+{ return (T*) hc::get_dynamic_group_segment_base_pointer() ; }
+
+
 }
 } // namespace Kokkos
 #define ROCM_SPACE_ATOMIC_MASK      0x1FFFF
@@ -249,7 +259,6 @@ struct ROCmParallelLaunch< DriverType
       size_t bx = (grid.x > block.x)? block.x : grid.x;
       size_t by = (grid.y > block.y)? block.y : grid.y;
       size_t bz = (grid.z > block.z)? block.z : grid.z;
-
       hc::parallel_for_each(ext.tile_with_dynamic(bz,by,bx,shmem), [=](const hc::index<3> & idx) [[hc]]
  
  
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Impl.cpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Impl.cpp
index 3ae312647e..236042ccc2 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Impl.cpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Impl.cpp
@@ -543,20 +543,13 @@ enum { sizeScratchGrain = sizeof(ScratchGrain) };
 void rocmMemset(  Kokkos::Experimental::ROCm::size_type * ptr ,  Kokkos::Experimental::ROCm::size_type value , Kokkos::Experimental::ROCm::size_type size)
 {
 char * mptr = (char * ) ptr;
-#if 0
-   parallel_for_each(hc::extent<1>(size),
+/*   parallel_for_each(hc::extent<1>(size),
                     [=, &ptr]
                     (hc::index<1> idx) __HC__
    {
       int i = idx[0];
       ptr[i] = value;
-   }).wait();
-#else
-   for (int i= 0; i<size ; i++)
-   {
-     mptr[i] = (char) value;
-   }
-#endif
+   }).wait();*/
 }
 
 Kokkos::Experimental::ROCm::size_type *
@@ -567,9 +560,9 @@ ROCmInternal::scratch_flags( const Kokkos::Experimental::ROCm::size_type size )
 
     m_scratchFlagsCount = ( size + sizeScratchGrain - 1 ) / sizeScratchGrain ;
 
-    typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::HostSpace , void > Record ;
+    typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::Experimental::ROCmSpace , void > Record ;
 
-    Record * const r = Record::allocate( Kokkos::HostSpace()
+    Record * const r = Record::allocate( Kokkos::Experimental::ROCmSpace()
                                        , "InternalScratchFlags"
                                        , ( sizeScratchGrain  * m_scratchFlagsCount ) );
 
@@ -590,9 +583,9 @@ ROCmInternal::scratch_space( const Kokkos::Experimental::ROCm::size_type size )
 
     m_scratchSpaceCount = ( size + sizeScratchGrain - 1 ) / sizeScratchGrain ;
 
-     typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::HostSpace , void > Record ;
+     typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::Experimental::ROCmSpace , void > Record ;
 
-     Record * const r = Record::allocate( Kokkos::HostSpace()
+     static Record * const r = Record::allocate( Kokkos::Experimental::ROCmSpace()
                                         , "InternalScratchSpace"
                                         , ( sizeScratchGrain  * m_scratchSpaceCount ) );
 
@@ -616,7 +609,7 @@ void ROCmInternal::finalize()
 //    scratch_lock_array_rocm_space_ptr(false);
 //    threadid_lock_array_rocm_space_ptr(false);
 
-    typedef Kokkos::Impl::SharedAllocationRecord< HostSpace > RecordROCm ;
+    typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::Experimental::ROCmSpace > RecordROCm ;
     typedef Kokkos::Impl::SharedAllocationRecord< Kokkos::Experimental::ROCmHostPinnedSpace > RecordHost ;
 
     RecordROCm::decrement( RecordROCm::get_record( m_scratchFlags ) );
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
index 2978ae8f5f..edd1c12e45 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Parallel.hpp
@@ -243,6 +243,15 @@ public:
    return(max);
  }
 
+  template< class FunctorType , class PatternTypeTag>
+  int team_size_max( const FunctorType& functor, PatternTypeTag) {
+    return 256/vector_length();
+  }
+  template< class FunctorType , class PatternTypeTag>
+  int team_size_recommended( const FunctorType& functor, PatternTypeTag) {
+    return 128/vector_length();
+  }
+
   template<class F>
   KOKKOS_INLINE_FUNCTION int team_size(const F& f) const { return (m_team_size > 0) ? m_team_size : team_size_recommended(f); }
   KOKKOS_INLINE_FUNCTION int team_size() const { return (m_team_size > 0) ? m_team_size : Impl::get_max_tile_thread(); ; }
@@ -261,6 +270,11 @@ public:
     return m_thread_scratch_size[level];
   }
 
+  static int scratch_size_max(int level) {
+    return level==0 ? 
+      1024*40 : 1024*1204*20;
+  }
+
   typedef Impl::ROCmTeamMember member_type;
 };
 
@@ -487,6 +501,7 @@ public:
 #endif
       }
       m_idx.barrier.wait();
+      reducer.reference() = buffer[0];
     }
 
     /** \brief  Intra-team vector reduce 
@@ -541,19 +556,19 @@ public:
     }
 
   template< typename ReducerType >
-  KOKKOS_INLINE_FUNCTION static
+  KOKKOS_INLINE_FUNCTION
   typename std::enable_if< is_reducer< ReducerType >::value >::type
-  vector_reduce( ReducerType const & reducer )
+  vector_reduce( ReducerType const & reducer ) const
     {
       #ifdef __HCC_ACCELERATOR__
-      if(blockDim_x == 1) return;
+      if(m_vector_length == 1) return;
 
       // Intra vector lane shuffle reduction:
       typename ReducerType::value_type tmp ( reducer.reference() );
 
-      for ( int i = blockDim_x ; ( i >>= 1 ) ; ) {
-        shfl_down( reducer.reference() , i , blockDim_x );
-        if ( (int)threadIdx_x < i ) { reducer.join( tmp , reducer.reference() ); }
+      for ( int i = m_vector_length ; ( i >>= 1 ) ; ) {
+        reducer.reference() = shfl_down( tmp , i , m_vector_length );
+        if ( (int)vector_rank() < i ) { reducer.join( tmp , reducer.reference() ); }
       }
 
       // Broadcast from root lane to all other lanes.
@@ -561,7 +576,7 @@ public:
       // because floating point summation is not associative
       // and thus different threads could have different results.
 
-      shfl( reducer.reference() , 0 , blockDim_x );
+      reducer.reference() = shfl( tmp , 0 , m_vector_length );
       #endif
     }
 
@@ -847,7 +862,7 @@ public:
 
       hc::extent< 1 > flat_extent( total_size );
 
-      hc::tiled_extent< 1 > team_extent = flat_extent.tile(team_size*vector_length);
+      hc::tiled_extent< 1 > team_extent = flat_extent.tile(vector_length*team_size);
       hc::parallel_for_each( team_extent , [=](hc::tiled_index<1> idx) [[hc]]
       {
         rocm_invoke<typename Policy::work_tag>(f, typename Policy::member_type(idx, league_size, team_size, shared, shared_size, scratch_size0, scratch, scratch_size1,vector_length));
@@ -958,6 +973,176 @@ public:
 
 };
 
+//----------------------------------------------------------------------------
+
+template< class FunctorType , class ReducerType, class... Traits >
+class ParallelReduce<
+  FunctorType , Kokkos::MDRangePolicy< Traits... >, ReducerType, Kokkos::Experimental::ROCm >
+{
+private:
+  typedef Kokkos::MDRangePolicy< Traits ...  > Policy ;
+  using RP = Policy;
+  typedef typename Policy::array_index_type array_index_type;
+  typedef typename Policy::index_type index_type;
+  typedef typename Policy::work_tag     WorkTag ;
+  typedef typename Policy::member_type  Member ;
+  typedef typename Policy::launch_bounds LaunchBounds;
+
+  typedef Kokkos::Impl::if_c< std::is_same<InvalidType,ReducerType>::value, FunctorType, ReducerType> ReducerConditional;
+  typedef typename ReducerConditional::type ReducerTypeFwd;
+  typedef typename Kokkos::Impl::if_c< std::is_same<InvalidType,ReducerType>::value, WorkTag, void>::type WorkTagFwd;
+
+  typedef Kokkos::Impl::FunctorValueTraits< ReducerTypeFwd, WorkTagFwd > ValueTraits ;
+  typedef Kokkos::Impl::FunctorValueInit<   ReducerTypeFwd, WorkTagFwd > ValueInit ;
+  typedef Kokkos::Impl::FunctorValueJoin<   ReducerTypeFwd, WorkTagFwd > ValueJoin ;
+
+
+public:
+
+  typedef typename ValueTraits::pointer_type    pointer_type ;
+  typedef typename ValueTraits::value_type      value_type ;
+  typedef typename ValueTraits::reference_type  reference_type ;
+  typedef FunctorType                           functor_type ;
+  typedef Kokkos::Experimental::ROCm::size_type size_type ;
+
+  // Algorithmic constraints: blockSize is a power of two AND blockDim.y == blockDim.z == 1
+
+  const FunctorType   m_functor ;
+  const Policy        m_policy ; // used for workrange and nwork
+  const ReducerType   m_reducer ;
+  const pointer_type  m_result_ptr ;
+  value_type *         m_scratch_space ;
+  size_type *         m_scratch_flags ;
+
+  typedef typename Kokkos::Impl::Reduce::DeviceIterateTile<Policy::rank, Policy, FunctorType, typename Policy::work_tag, reference_type> DeviceIteratePattern;
+
+  KOKKOS_INLINE_FUNCTION
+  void exec_range( reference_type update ) const
+  {
+    Kokkos::Impl::Reduce::DeviceIterateTile<Policy::rank,Policy,FunctorType,typename Policy::work_tag, reference_type>(m_policy, m_functor, update).exec_range();
+  }
+
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(void) const
+    {
+       run();
+    }
+
+  KOKKOS_INLINE_FUNCTION
+  void run( ) const
+  {
+    const integral_nonzero_constant< size_type , ValueTraits::StaticValueSize / sizeof(value_type) >
+      word_count( (ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) )) / sizeof(value_type) );
+      // pointer to shared data accounts for the reserved space at the start
+      value_type * const shared = kokkos_impl_rocm_shared_memory<value_type>()
+                                 + 2*sizeof(uint64_t); 
+
+    {
+      reference_type value =
+        ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , shared + threadIdx_y * word_count.value );
+      // Number of blocks is bounded so that the reduction can be limited to two passes.
+      // Each thread block is given an approximately equal amount of work to perform.
+      // Accumulate the values for this block.
+      // The accumulation ordering does not match the final pass, but is arithmatically equivalent.
+
+      this-> exec_range( value );
+    }
+
+    // Reduce with final value at blockDim.y - 1 location.
+    // Problem: non power-of-two blockDim
+
+    if ( rocm_single_inter_block_reduce_scan<false,ReducerTypeFwd,WorkTagFwd>(
+           ReducerConditional::select(m_functor , m_reducer) , blockIdx_x ,
+           gridDim_x , shared , m_scratch_space , m_scratch_flags ) ) {
+
+      // This is the final block with the final result at the final threads' location
+      value_type * const tshared = shared + ( blockDim_y - 1 ) * word_count.value ;
+      value_type * const global =  m_scratch_space ;
+
+      if ( threadIdx_y == 0 ) {
+        Kokkos::Impl::FunctorFinal< ReducerTypeFwd , WorkTagFwd >::final( ReducerConditional::select(m_functor , m_reducer) , tshared );
+//        for ( unsigned i = 0 ; i < word_count.value ; i+=blockDim_y ) { global[i] = tshared[i]; }
+        for ( unsigned i = 0 ; i < word_count.value ; i++ ) { global[i] = tshared[i]; }
+      }
+    }
+  }
+
+
+
+  // Determine block size constrained by shared memory:
+  static inline
+  unsigned local_block_size( const FunctorType & f )
+    {
+      unsigned n = ROCmTraits::WavefrontSize * 8 ;
+      while ( n && ROCmTraits::SharedMemoryCapacity < rocm_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( f , n ) ) { n >>= 1 ; }
+      return n ;
+    }
+
+  inline
+  void execute()
+    {
+      const int nwork = m_policy.m_num_tiles;
+      if ( nwork ) {
+        int block_size = m_policy.m_prod_tile_dims;
+        // CONSTRAINT: Algorithm requires block_size >= product of tile dimensions
+        // Nearest power of two
+        int exponent_pow_two = std::ceil( std::log2((float)block_size) );
+        block_size = 1<<(exponent_pow_two);
+
+        m_scratch_space = (value_type*)rocm_internal_scratch_space( ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer) ) * block_size*nwork /* block_size == max block_count */ );
+        m_scratch_flags = rocm_internal_scratch_flags( sizeof(size_type) );
+        const dim3 block( 1 , block_size , 1 );
+        // Required grid.x <= block.y
+        const dim3 grid( nwork, block_size ,  1 );
+      const int shmem = rocm_single_inter_block_reduce_scan_shmem<false,FunctorType,WorkTag>( m_functor , block.y );
+
+      ROCmParallelLaunch< ParallelReduce, LaunchBounds >( *this, grid, block, shmem ); // copy to device and execute
+
+      ROCM::fence();
+
+      if ( m_result_ptr ) {
+          const int size = ValueTraits::value_size( ReducerConditional::select(m_functor , m_reducer)  );
+          DeepCopy<HostSpace,Kokkos::Experimental::ROCmSpace>( m_result_ptr , m_scratch_space , size );
+      }
+    }
+    else {
+      if (m_result_ptr) {
+        ValueInit::init( ReducerConditional::select(m_functor , m_reducer) , m_result_ptr );
+      }
+    }
+  }
+
+
+  template< class HostViewType >
+  ParallelReduce( const FunctorType  & arg_functor
+                , const Policy       & arg_policy
+                , const HostViewType & arg_result
+                , typename std::enable_if<
+                   Kokkos::is_view< HostViewType >::value
+                ,void*>::type = NULL)
+  : m_functor( arg_functor )
+  , m_policy(  arg_policy )
+  , m_reducer( InvalidType() )
+  , m_result_ptr( arg_result.data() )
+  , m_scratch_space( 0 )
+  , m_scratch_flags( 0 )
+  {}
+
+  ParallelReduce( const FunctorType  & arg_functor
+                , const Policy       & arg_policy
+                , const ReducerType & reducer)
+  : m_functor( arg_functor )
+  , m_policy(  arg_policy )
+  , m_reducer( reducer )
+  , m_result_ptr( reducer.view().data() )
+  , m_scratch_space( 0 )
+  , m_scratch_flags( 0 )
+  {}
+
+};
+//----------------------------------------------------------------------------
+
 template< class FunctorType, class ReducerType, class... Traits >
 class ParallelReduce<
    FunctorType , Kokkos::TeamPolicy< Traits... >, ReducerType, Kokkos::Experimental::ROCm >
@@ -992,8 +1177,14 @@ public:
       const int scratch_size0 = policy.scratch_size(0,team_size);
       const int scratch_size1 = policy.scratch_size(1,team_size);
       const int total_size = league_size * team_size ;
-
-      if(total_size == 0) return;
+      
+      typedef Kokkos::Impl::FunctorValueInit< FunctorType, typename Policy::work_tag > ValueInit ;
+      if(total_size==0) {
+        if (result_view.data()) {
+           ValueInit::init( f , result_view.data() );
+        }
+        return;
+      }
 
       const int reduce_size = ValueTraits::value_size( f );
       const int shared_size = FunctorTeamShmemSize< FunctorType >::value( f , team_size );
@@ -1042,7 +1233,16 @@ public:
       const int vector_length = policy.vector_length();
       const int total_size = league_size * team_size;
 
-      if(total_size == 0) return;
+      typedef Kokkos::Impl::FunctorValueInit< ReducerType, typename Policy::work_tag > ValueInit ;
+      typedef Kokkos::Impl::if_c< std::is_same<InvalidType,ReducerType>::value,
+                                   FunctorType, ReducerType> ReducerConditional;
+      if(total_size==0) {
+        if (reducer.view().data()) {
+           ValueInit::init( ReducerConditional::select(f,reducer), 
+                            reducer.view().data() );
+        }
+        return;
+      }
 
       const int reduce_size = ValueTraits::value_size( f );
       const int shared_size = FunctorTeamShmemSize< FunctorType >::value( f , team_size );
@@ -1113,6 +1313,39 @@ public:
   //----------------------------------------
 };
 
+template< class FunctorType , class ReturnType , class... Traits >
+class ParallelScanWithTotal< FunctorType , Kokkos::RangePolicy< Traits... >,
+                             ReturnType, Kokkos::Experimental::ROCm >
+{
+private:
+
+  typedef Kokkos::RangePolicy< Traits... > Policy;
+  typedef typename Policy::work_tag Tag;
+  typedef Kokkos::Impl::FunctorValueTraits< FunctorType, Tag>  ValueTraits;
+
+public:
+
+  //----------------------------------------
+
+  inline
+  ParallelScanWithTotal( const FunctorType & f
+              , const Policy      & policy 
+              , ReturnType        & arg_returnvalue)
+  {
+    const auto len = policy.end()-policy.begin();
+
+
+    if(len==0) return;
+
+    scan_enqueue<Tag,ReturnType>(len, f, arg_returnvalue, [](hc::tiled_index<1> idx, int, int) { return idx.global[0]; });
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void execute() const {}
+
+  //----------------------------------------
+};
+
 template< class FunctorType , class... Traits>
 class ParallelScan< FunctorType , Kokkos::TeamPolicy< Traits... >, Kokkos::Experimental::ROCm >
 {
@@ -1350,22 +1583,17 @@ void parallel_for(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTe
  * val is performed and put into result. This functionality requires C++11 support.*/
 template< typename iType, class Lambda, typename ValueType >
 KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>& loop_boundaries,
+typename std::enable_if< ! Kokkos::is_reducer< ValueType >::value >::type
+parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>& loop_boundaries,
                      const Lambda & lambda, ValueType& result) {
 
-  result = ValueType();
+  Kokkos::Sum<ValueType> reducer(result);
+  reducer.init( reducer.reference() );
 
   for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
-    ValueType tmp = ValueType();
-    lambda(i,tmp);
-    result+=tmp;
+    lambda(i,reducer.reference());
   }
-  result = loop_boundaries.thread.team_reduce(result,
-                                              Impl::JoinAdd<ValueType>());
-//  Impl::rocm_intra_workgroup_reduction( loop_boundaries.thread, result,
-//               Impl::JoinAdd<ValueType>());
-//  Impl::rocm_inter_workgroup_reduction( loop_boundaries.thread, result,
-//               Impl::JoinAdd<ValueType>());
+  loop_boundaries.thread.team_reduce(reducer);
 }
 
 /** \brief  Inter-thread thread range parallel_reduce. Executes lambda(iType i, ValueType & val) for each i=0..N-1.
@@ -1374,7 +1602,8 @@ void parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROC
  * val is performed and put into result. This functionality requires C++11 support.*/
 template< typename iType, class Lambda, typename ReducerType >
 KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>& loop_boundaries,
+typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
+parallel_reduce(const Impl::TeamThreadRangeBoundariesStruct<iType,Impl::ROCmTeamMember>& loop_boundaries,
                      const Lambda & lambda, ReducerType const & reducer) {
   reducer.init( reducer.reference() );
 
@@ -1439,7 +1668,8 @@ void parallel_for(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCm
  * val is performed and put into result. This functionality requires C++11 support.*/
 template< typename iType, class Lambda, typename ValueType >
 KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >&
+typename std::enable_if< !Kokkos::is_reducer< ValueType >::value >::type 
+parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >&
       loop_boundaries, const Lambda & lambda, ValueType& result) {
   result = ValueType();
 
@@ -1477,7 +1707,8 @@ void parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::R
  * val is performed and put into result. This functionality requires C++11 support.*/
 template< typename iType, class Lambda, typename ReducerType >
 KOKKOS_INLINE_FUNCTION
-void parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >&
+typename std::enable_if< Kokkos::is_reducer< ReducerType >::value >::type
+parallel_reduce(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROCmTeamMember >&
       loop_boundaries, const Lambda & lambda, ReducerType const & reducer) {
   reducer.init( reducer.reference() );
 
@@ -1523,86 +1754,46 @@ void parallel_scan(const Impl::ThreadVectorRangeBoundariesStruct<iType,Impl::ROC
   typedef Kokkos::Impl::FunctorValueTraits< FunctorType , void > ValueTraits ;
   typedef typename ValueTraits::value_type value_type ;
 
-  value_type scan_val = value_type();
-#if (__ROCM_ARCH__ >= 800)
-// adopt the cuda vector shuffle method
-  const int VectorLength = loop_boundaries.increment;
-  int lid = loop_boundaries.thread.lindex();
-  int vector_rank = lid%VectorLength;
+  value_type val = value_type();
+  const int vector_length = loop_boundaries.thread.vector_length();
+  const int vector_rank = loop_boundaries.thread.vector_rank();
 
-  iType loop_bound = ((loop_boundaries.end+VectorLength-1)/VectorLength) * VectorLength;
-  value_type val ;
-  for(int _i = vector_rank; _i < loop_bound; _i += VectorLength) {
-    val = value_type();
-    if(_i<loop_boundaries.end)
-      lambda(_i , val , false);
+  iType end = ((loop_boundaries.end+vector_length-1)/vector_length) * vector_length;
+  value_type accum = value_type();
 
-    value_type tmp = val;
-    value_type result_i;
+  for ( int i = vector_rank ; i < end ; i += vector_length ) {
 
-    if(vector_rank == 0)
-      result_i = tmp;
-    if (VectorLength > 1) {
-      const value_type tmp2 = shfl_up(tmp, 1,VectorLength);
-      if(vector_rank > 0)
-        tmp+=tmp2;
-    }
-    if(vector_rank == 1)
-      result_i = tmp;
-    if (VectorLength > 3) {
-      const value_type tmp2 = shfl_up(tmp, 2,VectorLength);
-      if(vector_rank > 1)
-        tmp+=tmp2;
-    }
-    if ((vector_rank >= 2) &&
-        (vector_rank < 4))
-      result_i = tmp;
-    if (VectorLength > 7) {
-      const value_type tmp2 = shfl_up(tmp, 4,VectorLength);
-      if(vector_rank > 3)
-        tmp+=tmp2;
-    }
-    if ((vector_rank >= 4) &&
-        (vector_rank < 8))
-      result_i = tmp;
-    if (VectorLength > 15) {
-      const value_type tmp2 = shfl_up(tmp, 8,VectorLength);
-      if(vector_rank > 7)
-        tmp+=tmp2;
-    }
-    if ((vector_rank >= 8) &&
-        (vector_rank < 16))
-      result_i = tmp;
-    if (VectorLength > 31) {
-      const value_type tmp2 = shfl_up(tmp, 16,VectorLength);
-      if(vector_rank > 15)
-        tmp+=tmp2;
-    }
-    if ((vector_rank >=16) &&
-        (vector_rank < 32))
-      result_i = tmp;
-    if (VectorLength > 63) {
-      const value_type tmp2 = shfl_up(tmp, 32,VectorLength);
-      if(vector_rank > 31)
-        tmp+=tmp2;
+    value_type val = 0 ;
+
+    // First acquire per-lane contributions:
+    if ( i < loop_boundaries.end ) lambda( i , val , false );
+
+    value_type sval = val ;
+
+    // Bottom up inclusive scan in triangular pattern
+    // where each thread is the root of a reduction tree
+    // from the zeroth "lane" to itself.
+    //  [t] += [t-1] if t >= 1
+    //  [t] += [t-2] if t >= 2
+    //  [t] += [t-4] if t >= 4
+    //  ...
+
+    for ( int j = 1 ; j < vector_length ; j <<= 1 ) {
+      value_type tmp = 0 ;
+      tmp = shfl_up(sval , j , vector_length );
+      if ( j <= vector_rank ) { sval += tmp ; }
     }
 
-    if (vector_rank >= 32)
-      result_i = tmp;
+    // Include accumulation and remove value for exclusive scan:
+    val = accum + sval - val ;
 
-    val = scan_val + result_i - val;
-    scan_val += shfl(tmp,VectorLength-1,VectorLength);
-    if(_i<loop_boundaries.end)
-      lambda(_i , val , true);
+    // Provide exclusive scan value:
+    if ( i < loop_boundaries.end ) lambda( i , val , true );
+
+    // Accumulate the last value in the inclusive scan:
+    sval = shfl( sval , vector_length-1 , vector_length);
+    accum += sval ;
   }
-#else
-// for kaveri, call the LDS based thread_scan routine
-  for( iType i = loop_boundaries.start; i < loop_boundaries.end; i+=loop_boundaries.increment) {
-    lambda(i,scan_val,true);
-  }
-  scan_val = loop_boundaries.thread.team_scan(scan_val);
-
-#endif
 }
 
 } // namespace Kokkos
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Reduce.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Reduce.hpp
index 7dd69e7570..0321f3d53f 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Reduce.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Reduce.hpp
@@ -57,7 +57,6 @@
 #include <ROCm/Kokkos_ROCm_Tile.hpp>
 #include <ROCm/Kokkos_ROCm_Invoke.hpp>
 #include <ROCm/Kokkos_ROCm_Join.hpp>
-
 //////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
 
 namespace Kokkos {
@@ -75,7 +74,7 @@ T& reduce_value(T* x, std::false_type) [[hc]]
   return *x;
 }
 
-#if KOKKOS_ROCM_HAS_WORKAROUNDS
+#ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
 struct always_true
 {
     template<class... Ts>
@@ -149,7 +148,7 @@ void reduce_enqueue(
       // Store the tile result in the global memory.
       if (local == 0)
       {
-#if KOKKOS_ROCM_HAS_WORKAROUNDS
+#ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
           // Workaround for assigning from LDS memory: std::copy should work
           // directly
           buffer.action_at(0, [&](T* x)
@@ -158,7 +157,7 @@ void reduce_enqueue(
 // new ROCM 15 address space changes aren't implemented in std algorithms yet
               auto * src = reinterpret_cast<char *>(x);
               auto * dest = reinterpret_cast<char *>(result.data()+tile*output_length);
-              for(int i=0; i<sizeof(T);i++) dest[i] = src[i];
+              for(int i=0; i<sizeof(T)*output_length;i++) dest[i] = src[i];
 #else
               // Workaround: copy_if used to avoid memmove
               std::copy_if(x, x+output_length, result.data()+tile*output_length, always_true{} );
@@ -169,12 +168,10 @@ void reduce_enqueue(
 
 #endif
       }
-      
   });
   if (output_result != nullptr)
      ValueInit::init(ReducerConditional::select(f, reducer), output_result);
   fut.wait();
-
   copy(result,result_cpu.data());
   if (output_result != nullptr) {
     for(std::size_t i=0;i<td.num_tiles;i++)
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_ReduceScan.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_ReduceScan.hpp
index 3f67089b92..33efa0d6f0 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_ReduceScan.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_ReduceScan.hpp
@@ -62,6 +62,76 @@
 namespace Kokkos {
 namespace Impl {
 
+//#if __KALMAR_ACCELERATOR__ == 1
+KOKKOS_INLINE_FUNCTION
+void __syncthreads() [[hc]]
+{
+   amp_barrier(CLK_LOCAL_MEM_FENCE);
+}
+
+#define LT0 ((threadIdx_x+threadIdx_y+threadIdx_z)?0:1)
+
+
+// returns non-zero if and only if predicate is non-zero for all threads
+// note that syncthreads_or uses the first 64 bits of dynamic group memory.
+// this reserved memory must be accounted for everwhere 
+// that get_dynamic_group_segment_base_pointer is called.
+KOKKOS_INLINE_FUNCTION
+uint64_t __syncthreads_or(uint64_t  pred) 
+{
+  uint64_t *shared_var = (uint64_t *)hc::get_dynamic_group_segment_base_pointer();
+  if(LT0) *shared_var = 0;
+  amp_barrier(CLK_LOCAL_MEM_FENCE);
+#if __KALMAR_ACCELERATOR__ == 1
+  if (pred) hc::atomic_or_uint64(shared_var,1);
+#endif
+  amp_barrier(CLK_LOCAL_MEM_FENCE);
+  return (*shared_var);
+}
+
+KOKKOS_INLINE_FUNCTION
+void __threadfence() 
+{
+   amp_barrier(CLK_LOCAL_MEM_FENCE | CLK_GLOBAL_MEM_FENCE);
+}
+
+KOKKOS_INLINE_FUNCTION
+void __threadfence_block() 
+{
+   amp_barrier(CLK_LOCAL_MEM_FENCE | CLK_GLOBAL_MEM_FENCE);
+}
+//#endif
+struct ROCm_atomic_CAS {
+    template<class OP>
+    KOKKOS_INLINE_FUNCTION
+    unsigned long operator () (volatile unsigned long * dest, OP &&op){
+       unsigned long read,compare,val;
+       compare = *dest;
+       read = compare;
+       do {
+         compare = read;
+         val = op(compare);
+#if __KALMAR_ACCELERATOR__ == 1
+         hc::atomic_compare_exchange((uint64_t *)dest,&read,val);
+#endif
+       } while (read != compare);
+       return val;
+    }
+};
+
+  template<class OP>
+  KOKKOS_INLINE_FUNCTION
+  unsigned long atomic_cas_op (volatile unsigned long * dest, OP &&op) {
+    ROCm_atomic_CAS cas_op;
+    return cas_op(dest, std::forward<OP>(op));
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  unsigned long atomicInc (volatile unsigned long * dest, const unsigned long& val) {
+    return atomic_cas_op(dest, [=](unsigned long old){return ((old>=val)?0:(old+1));});
+  }
+
+
 //----------------------------------------------------------------------------
 
 template< typename T >
@@ -375,18 +445,7 @@ bool rocm_inter_block_reduction( ROCmTeamMember& team,
 #endif
 }
 #endif
-#if 0
 
-//----------------------------------------------------------------------------
-// See section B.17 of ROCm C Programming Guide Version 3.2
-// for discussion of
-//   __launch_bounds__(maxThreadsPerBlock,minBlocksPerMultiprocessor)
-// function qualifier which could be used to improve performance.
-//----------------------------------------------------------------------------
-// Maximize shared memory and minimize L1 cache:
-//   rocmFuncSetCacheConfig(MyKernel, rocmFuncCachePreferShared );
-// For 2.0 capability: 48 KB shared and 16 KB L1
-//----------------------------------------------------------------------------
 //----------------------------------------------------------------------------
 /*
  *  Algorithmic constraints:
@@ -406,87 +465,105 @@ void rocm_intra_block_reduce_scan( const FunctorType & functor ,
   typedef typename ValueTraits::pointer_type  pointer_type ;
 
   const unsigned value_count   = ValueTraits::value_count( functor );
-  const unsigned BlockSizeMask = team.team_size() - 1 ;
+  const unsigned BlockSizeMask = blockDim_y  - 1 ;
 
   // Must have power of two thread count
 
-  if ( BlockSizeMask & team.team_size() ) { Kokkos::abort("ROCm::rocm_intra_block_scan requires power-of-two blockDim"); }
+  if ( BlockSizeMask & blockDim_y ) { Kokkos::abort("ROCm::rocm_intra_block_scan requires power-of-two blockDim"); }
 
 #define BLOCK_REDUCE_STEP( R , TD , S )  \
-  if ( ! ( R & ((1<<(S+1))-1) ) ) { ValueJoin::join( functor , TD , (TD - (value_count<<S)) ); }
+  if ( ! (( R & ((1<<(S+1))-1) )|(blockDim_y<(1<<(S+1)))) ) { ValueJoin::join( functor , TD , (TD - (value_count<<S)) ); }
 
 #define BLOCK_SCAN_STEP( TD , N , S )  \
   if ( N == (1<<S) ) { ValueJoin::join( functor , TD , (TD - (value_count<<S))); }
+#define KOKKOS_IMPL_ROCM_SYNCWF __threadfence_block()
 
-  const unsigned     rtid_intra = team.team_rank() ^ BlockSizeMask ;
-  const pointer_type tdata_intra = base_data + value_count * team.team_rank() ;
+  const unsigned     rtid_intra = threadIdx_y ^ BlockSizeMask ;
+  const pointer_type tdata_intra = base_data + value_count * threadIdx_y ;
 
-  { // Intra-workgroup reduction:
+  { // Intra-workgroup reduction: min blocksize of 64
+    KOKKOS_IMPL_ROCM_SYNCWF;
     BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,0)
+    KOKKOS_IMPL_ROCM_SYNCWF;
     BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,1)
+    KOKKOS_IMPL_ROCM_SYNCWF;
     BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,2)
+    KOKKOS_IMPL_ROCM_SYNCWF;
     BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,3)
+    KOKKOS_IMPL_ROCM_SYNCWF;
     BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,4)
+    KOKKOS_IMPL_ROCM_SYNCWF;
+    BLOCK_REDUCE_STEP(rtid_intra,tdata_intra,5)
+    KOKKOS_IMPL_ROCM_SYNCWF;
   }
 
-  team.team_barrier(); // Wait for all workgroups to reduce
+  __syncthreads(); // Wait for all workgroups to reduce
 
   { // Inter-workgroup reduce-scan by a single workgroup to avoid extra synchronizations
-    const unsigned rtid_inter = ( team.team_rank() ^ BlockSizeMask ) << ROCmTraits::WarpIndexShift ;
+    if(threadIdx_y < value_count) {
+      for(int i=blockDim_y-65; i>0; i-= 64)
+        ValueJoin::join( functor , base_data + (blockDim_y-1)*value_count + threadIdx_y ,  base_data + i*value_count + threadIdx_y );
+    }
+    __syncthreads();
+#if 0
+    const unsigned rtid_inter = ( threadIdx_y ^ BlockSizeMask ) << ROCmTraits::WavefrontIndexShift ;
+
+    if ( rtid_inter < blockDim_y ) {
 
-    if ( rtid_inter < team.team_size() ) {
 
       const pointer_type tdata_inter = base_data + value_count * ( rtid_inter ^ BlockSizeMask );
+//
+// remove these comments
+// for rocm, we start with a block size of 64, so the 5 step is already done.
+// The remaining steps are only done if block size is > 64, so we leave them
+// in place until we tune blocksize for performance, then remove the ones 
+// that will never be used.
+//      if ( (1<<6) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,6) }
+//      if ( (1<<7) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,7) }
+//      if ( (1<<8) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,8) }
+//      if ( (1<<9) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,9) }
 
-      if ( (1<<5) < BlockSizeMask ) {                        BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,5) }
-      if ( (1<<6) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,6) }
-      if ( (1<<7) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,7) }
-      if ( (1<<8) < BlockSizeMask ) { __threadfence_block(); BLOCK_REDUCE_STEP(rtid_inter,tdata_inter,8) }
 
       if ( DoScan ) {
 
-        int n = ( rtid_inter &  32 ) ?  32 : (
-                ( rtid_inter &  64 ) ?  64 : (
+        int n = ( rtid_inter &  64 ) ?  64 : (
                 ( rtid_inter & 128 ) ? 128 : (
-                ( rtid_inter & 256 ) ? 256 : 0 )));
+                ( rtid_inter & 256 ) ? 256 : 0 ));
 
-        if ( ! ( rtid_inter + n < team.team_size() ) ) n = 0 ;
+        if ( ! ( rtid_inter + n < blockDim_y ) ) n = 0 ;
 
         __threadfence_block(); BLOCK_SCAN_STEP(tdata_inter,n,8)
         __threadfence_block(); BLOCK_SCAN_STEP(tdata_inter,n,7)
         __threadfence_block(); BLOCK_SCAN_STEP(tdata_inter,n,6)
-        __threadfence_block(); BLOCK_SCAN_STEP(tdata_inter,n,5)
+//        __threadfence_block(); BLOCK_SCAN_STEP(tdata_inter,n,5)
       }
     }
+#endif
   }
 
-  team.team_barrier(); // Wait for inter-workgroup reduce-scan to complete
+  __syncthreads(); // Wait for inter-workgroup reduce-scan to complete
 
   if ( DoScan ) {
     int n = ( rtid_intra &  1 ) ?  1 : (
             ( rtid_intra &  2 ) ?  2 : (
             ( rtid_intra &  4 ) ?  4 : (
             ( rtid_intra &  8 ) ?  8 : (
-            ( rtid_intra & 16 ) ? 16 : 0 ))));
+            ( rtid_intra & 16 ) ? 16 : (
+            ( rtid_intra & 32 ) ? 32 : 0 )))));
 
-    if ( ! ( rtid_intra + n < team.team_size() ) ) n = 0 ;
-    #ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
-    BLOCK_SCAN_STEP(tdata_intra,n,4) team.team_barrier();//__threadfence_block();
-    BLOCK_SCAN_STEP(tdata_intra,n,3) team.team_barrier();//__threadfence_block();
-    BLOCK_SCAN_STEP(tdata_intra,n,2) team.team_barrier();//__threadfence_block();
-    BLOCK_SCAN_STEP(tdata_intra,n,1) team.team_barrier();//__threadfence_block();
-    BLOCK_SCAN_STEP(tdata_intra,n,0) team.team_barrier();
-    #else
-    BLOCK_SCAN_STEP(tdata_intra,n,4) __threadfence_block();
+    if ( ! ( rtid_intra + n < blockDim_y ) ) n = 0 ;
+
+//    BLOCK_SCAN_STEP(tdata_intra,n,5) __threadfence_block();
+//    BLOCK_SCAN_STEP(tdata_intra,n,4) __threadfence_block();
     BLOCK_SCAN_STEP(tdata_intra,n,3) __threadfence_block();
     BLOCK_SCAN_STEP(tdata_intra,n,2) __threadfence_block();
     BLOCK_SCAN_STEP(tdata_intra,n,1) __threadfence_block();
     BLOCK_SCAN_STEP(tdata_intra,n,0) __threadfence_block();
-    #endif
   }
 
 #undef BLOCK_SCAN_STEP
 #undef BLOCK_REDUCE_STEP
+#undef KOKKOS_IMPL_ROCM_SYNCWF
 }
 
 //----------------------------------------------------------------------------
@@ -497,16 +574,18 @@ void rocm_intra_block_reduce_scan( const FunctorType & functor ,
  *
  *  Global reduce result is in the last threads' 'shared_data' location.
  */
+using ROCM  = Kokkos::Experimental::ROCm ;
+
 template< bool DoScan , class FunctorType , class ArgTag >
 KOKKOS_INLINE_FUNCTION
 bool rocm_single_inter_block_reduce_scan( const FunctorType     & functor ,
-                                          const ROCm::size_type   block_id ,
-                                          const ROCm::size_type   block_count ,
-                                          ROCm::size_type * const shared_data ,
-                                          ROCm::size_type * const global_data ,
-                                          ROCm::size_type * const global_flags )
+                                          const ROCM::size_type   block_id ,
+                                          const ROCM::size_type   block_count ,
+                                          typename FunctorValueTraits<FunctorType, ArgTag>::value_type * const shared_data ,
+                                          typename FunctorValueTraits<FunctorType, ArgTag>::value_type * const global_data ,
+                                          ROCM::size_type * const global_flags )
 {
-  typedef ROCm::size_type                  size_type ;
+  typedef ROCM::size_type                  size_type ;
   typedef FunctorValueTraits< FunctorType , ArgTag >  ValueTraits ;
   typedef FunctorValueJoin<   FunctorType , ArgTag >  ValueJoin ;
   typedef FunctorValueInit<   FunctorType , ArgTag >  ValueInit ;
@@ -517,16 +596,17 @@ bool rocm_single_inter_block_reduce_scan( const FunctorType     & functor ,
   typedef typename ValueTraits::value_type      value_type ;
 
   // '__ffs' = position of the least significant bit set to 1.
-  // 'team.team_size()' is guaranteed to be a power of two so this
+  // blockDim_y is guaranteed to be a power of two so this
   // is the integral shift value that can replace an integral divide.
-  const unsigned BlockSizeShift = __ffs( team.team_size() ) - 1 ;
-  const unsigned BlockSizeMask  = team.team_size() - 1 ;
+  //  const unsigned long BlockSizeShift = __ffs( blockDim_y ) - 1 ;
+  const unsigned long BlockSizeShift = __lastbit_u32_u32( blockDim_y )  ;
+  const unsigned long BlockSizeMask  = blockDim_y - 1 ;
 
   // Must have power of two thread count
-  if ( BlockSizeMask & team.team_size() ) { Kokkos::abort("ROCm::rocm_single_inter_block_reduce_scan requires power-of-two blockDim"); }
+  if ( BlockSizeMask & blockDim_y ) { Kokkos::abort("ROCm::rocm_single_inter_block_reduce_scan requires power-of-two blockDim"); }
 
-  const integral_nonzero_constant< size_type , ValueTraits::StaticValueSize / sizeof(size_type) >
-    word_count( ValueTraits::value_size( functor ) / sizeof(size_type) );
+  const integral_nonzero_constant< size_type , ValueTraits::StaticValueSize / sizeof(value_type) >
+    word_count( ValueTraits::value_size( functor )/ sizeof(value_type) );
 
   // Reduce the accumulation for the entire block.
   rocm_intra_block_reduce_scan<false,FunctorType,ArgTag>( functor , pointer_type(shared_data) );
@@ -534,54 +614,47 @@ bool rocm_single_inter_block_reduce_scan( const FunctorType     & functor ,
   {
     // Write accumulation total to global scratch space.
     // Accumulation total is the last thread's data.
-    size_type * const shared = shared_data + word_count.value * BlockSizeMask ;
-    size_type * const global = global_data + word_count.value * block_id ;
-
-#if (__ROCM_ARCH__ < 500)
-    for ( size_type i = team.team_rank() ; i < word_count.value ; i += team.team_size() ) { global[i] = shared[i] ; }
-#else
-    for ( size_type i = 0 ; i < word_count.value ; i += 1 ) { global[i] = shared[i] ; }
-#endif
+    value_type * const shared = shared_data +  
+                                   word_count.value * BlockSizeMask ;
+    value_type * const global = global_data + word_count.value * block_id ;
 
+    for ( int i = int(threadIdx_y) ; i < word_count.value ; i += blockDim_y ) { global[i] = shared[i] ; }
   }
 
   // Contributing blocks note that their contribution has been completed via an atomic-increment flag
   // If this block is not the last block to contribute to this group then the block is done.
-    team.team_barrier();
+    
   const bool is_last_block =
-    ! team.team_reduce( team.team_rank() ? 0 : ( 1 + atomicInc( global_flags , block_count - 1 ) < block_count ) ,Impl::JoinAdd<ValueType>());
-
+    !  __syncthreads_or( threadIdx_y ? 0 : ( 1 + atomicInc( global_flags , block_count - 1 ) < block_count ) );
   if ( is_last_block ) {
 
-    const size_type b = ( long(block_count) * long(team.team_rank()) ) >> BlockSizeShift ;
-    const size_type e = ( long(block_count) * long( team.team_rank() + 1 ) ) >> BlockSizeShift ;
+    const size_type b = ( long(block_count) * long(threadIdx_y )) >> BlockSizeShift ;
+    const size_type e = ( long(block_count) * long(threadIdx_y + 1 ) ) >> BlockSizeShift ;
 
     {
-      void * const shared_ptr = shared_data + word_count.value * team.team_rank() ;
-      reference_type shared_value = ValueInit::init( functor , shared_ptr );
+      value_type * const shared_ptr = shared_data + word_count.value * threadIdx_y ;
+      ValueInit::init( functor , shared_ptr );
+
 
       for ( size_type i = b ; i < e ; ++i ) {
         ValueJoin::join( functor , shared_ptr , global_data + word_count.value * i );
       }
     }
-
     rocm_intra_block_reduce_scan<DoScan,FunctorType,ArgTag>( functor , pointer_type(shared_data) );
 
     if ( DoScan ) {
+      value_type * const shared_value = shared_data + word_count.value * ( threadIdx_y ? threadIdx_y - 1 : blockDim_y );
 
-      size_type * const shared_value = shared_data + word_count.value * ( team.team_rank() ? team.team_rank() - 1 : team.team_size() );
-
-      if ( ! team.team_rank() ) { ValueInit::init( functor , shared_value ); }
+      if ( ! threadIdx_y ) { ValueInit::init( functor , shared_value ); }
 
       // Join previous inclusive scan value to each member
       for ( size_type i = b ; i < e ; ++i ) {
-        size_type * const global_value = global_data + word_count.value * i ;
+        value_type * const global_value = global_data + word_count.value * i ;
         ValueJoin::join( functor , shared_value , global_value );
         ValueOps ::copy( functor , global_value , shared_value );
       }
     }
   }
-
   return is_last_block ;
 }
 
@@ -592,7 +665,6 @@ unsigned rocm_single_inter_block_reduce_scan_shmem( const FunctorType & functor
 {
   return ( BlockSize + 2 ) * Impl::FunctorValueTraits< FunctorType , ArgTag >::value_size( functor );
 }
-#endif 
 
 } // namespace Impl
 } // namespace Kokkos
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Scan.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Scan.hpp
index 9890598bc9..f24db42cee 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Scan.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Scan.hpp
@@ -98,7 +98,7 @@ void scan_enqueue(
             {
                auto j = i + d - 1;
                auto k = i + d2 - 1;
-//               join(k, j);  // no longer needed with ROCm 1.6
+
                ValueJoin::join(f, &buffer[k], &buffer[j]);
             }
         }
@@ -116,7 +116,7 @@ void scan_enqueue(
                auto j = i + d - 1;
                auto k = i + d2 - 1;
                auto t = buffer[k];
-//               join(k, j);  // no longer needed with ROCm 1.6
+
                ValueJoin::join(f, &buffer[k], &buffer[j]);
                buffer[j] = t;
             }
@@ -127,17 +127,13 @@ void scan_enqueue(
     }).wait();
     copy(result,result_cpu.data());
 
-//  The std::partial_sum was segfaulting, despite that this is cpu code.
-//   if(td.num_tiles>1)
-//      std::partial_sum(result_cpu.data(), result_cpu.data()+(td.num_tiles-1)*sizeof(value_type), result_cpu.data(), make_join_operator<ValueJoin>(f));
-// use this implementation instead.
    for(int i=1; i<td.num_tiles; i++)
       ValueJoin::join(f, &result_cpu[i], &result_cpu[i-1]);
 
     copy(result_cpu.data(),result);
-    hc::parallel_for_each(hc::extent<1>(len).tile(td.tile_size), [&,f,len,td](hc::tiled_index<1> t_idx) [[hc]] 
+    size_t launch_len = (((len - 1) / td.tile_size) + 1) * td.tile_size;
+    hc::parallel_for_each(hc::extent<1>(launch_len).tile(td.tile_size), [&,f,len,td](hc::tiled_index<1> t_idx) [[hc]] 
     {
-//        const auto local = t_idx.local[0];
         const auto global = t_idx.global[0];
         const auto tile = t_idx.tile[0];
 
@@ -145,13 +141,115 @@ void scan_enqueue(
         {
             auto final_state = scratch[global];
 
-// the join is locking up, at least with 1.6
-            if (tile != 0) final_state += result[tile-1];
-//            if (tile != 0) ValueJoin::join(f, &final_state, &result[tile-1]);
+            if (tile != 0) ValueJoin::join(f, &final_state, &result[tile-1]);
             rocm_invoke<Tag>(f, transform_index(t_idx, td.tile_size, td.num_tiles), final_state, true);
         }
     }).wait();
 }
 
+template< class Tag, class ReturnType, class F, class TransformIndex>
+void scan_enqueue(
+  const int len,
+  const F & f,
+  ReturnType & return_val,
+  TransformIndex transform_index)
+{
+    typedef Kokkos::Impl::FunctorValueTraits< F, Tag>  ValueTraits;
+    typedef Kokkos::Impl::FunctorValueInit<   F, Tag>  ValueInit;
+    typedef Kokkos::Impl::FunctorValueJoin<   F, Tag>  ValueJoin;
+    typedef Kokkos::Impl::FunctorValueOps<    F, Tag>  ValueOps;
+
+    typedef typename ValueTraits::value_type    value_type;
+    typedef typename ValueTraits::pointer_type    pointer_type;
+    typedef typename ValueTraits::reference_type  reference_type;
+
+    const auto td = get_tile_desc<value_type>(len);
+    std::vector<value_type> result_cpu(td.num_tiles);
+    hc::array<value_type> result(td.num_tiles);
+    hc::array<value_type> scratch(len);
+    std::vector<ReturnType> total_cpu(1);
+    hc::array<ReturnType> total(1);
+
+    tile_for<value_type>(td, [&,f,len,td](hc::tiled_index<1> t_idx, tile_buffer<value_type> buffer) [[hc]] 
+    {
+        const auto local = t_idx.local[0];
+        const auto global = t_idx.global[0];
+        const auto tile = t_idx.tile[0];
+
+        // Join tile buffer elements
+        const auto join = [&](std::size_t i, std::size_t j)
+        {
+            buffer.action_at(i, j, [&](value_type& x, const value_type& y)
+            {
+                ValueJoin::join(f, &x, &y);
+            });
+        };
+
+        // Copy into tile
+        buffer.action_at(local, [&](value_type& state)
+        {
+            ValueInit::init(f, &state);
+            if (global < len) rocm_invoke<Tag>(f, transform_index(t_idx, td.tile_size, td.num_tiles), state, false);
+        });
+        t_idx.barrier.wait();
+        // Up sweep phase
+        for(std::size_t d=1;d<buffer.size();d*=2)
+        {
+            auto d2 = 2*d;
+            auto i = local*d2;
+            if(i<len)
+            {
+               auto j = i + d - 1;
+               auto k = i + d2 - 1;
+               ValueJoin::join(f, &buffer[k], &buffer[j]);
+            }
+        }
+        t_idx.barrier.wait();
+
+        result[tile] = buffer[buffer.size()-1];
+        buffer[buffer.size()-1] = 0;
+        // Down sweep phase
+        for(std::size_t d=buffer.size()/2;d>0;d/=2)
+        {
+            auto d2 = 2*d;
+            auto i = local*d2;
+            if(i<len)
+            {
+               auto j = i + d - 1;
+               auto k = i + d2 - 1;
+               auto t = buffer[k];
+               ValueJoin::join(f, &buffer[k], &buffer[j]);
+               buffer[j] = t;
+            }
+            t_idx.barrier.wait();
+        }
+        // Copy tiles into global memory
+        if (global < len) scratch[global] = buffer[local];
+    }).wait();
+    copy(result,result_cpu.data());
+
+   for(int i=1; i<td.num_tiles; i++)
+      ValueJoin::join(f, &result_cpu[i], &result_cpu[i-1]);
+
+    copy(result_cpu.data(),result);
+    size_t launch_len = (((len - 1) / td.tile_size) + 1) * td.tile_size;
+    hc::parallel_for_each(hc::extent<1>(launch_len).tile(td.tile_size), [&,f,len,td](hc::tiled_index<1> t_idx) [[hc]] 
+    {
+        const auto global = t_idx.global[0];
+        const auto tile = t_idx.tile[0];
+
+        if (global < len) 
+        {
+            auto final_state = scratch[global];
+
+            if (tile != 0) ValueJoin::join(f, &final_state, &result[tile-1]);
+            rocm_invoke<Tag>(f, transform_index(t_idx, td.tile_size, td.num_tiles), final_state, true);
+            if(global==(len-1))  total[0] = final_state;
+        }
+    }).wait();
+    copy(total,total_cpu.data());
+    return_val = total_cpu[0];
+}
+
 } // namespace Impl
 } // namespace Kokkos
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Space.cpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Space.cpp
index 12f34373ce..2fe0c4192d 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Space.cpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Space.cpp
@@ -362,6 +362,8 @@ SharedAllocationRecord( const Kokkos::Experimental::ROCmSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  header.m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 
   // Copy to device memory
   Kokkos::Impl::DeepCopy<Kokkos::Experimental::ROCmSpace,HostSpace>( RecordBase::m_alloc_ptr , & header , sizeof(SharedAllocationHeader) );
@@ -399,6 +401,8 @@ SharedAllocationRecord( const Kokkos::Experimental::ROCmHostPinnedSpace & arg_sp
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  RecordBase::m_alloc_ptr->m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Tile.hpp b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Tile.hpp
index db16db3f91..b4436ae156 100644
--- a/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Tile.hpp
+++ b/lib/kokkos/core/src/ROCm/Kokkos_ROCm_Tile.hpp
@@ -278,7 +278,7 @@ struct single_action
     void action_at(std::size_t i, Action a) [[hc]]
     {
         auto& value = static_cast<Derived&>(*this)[i];
-#if KOKKOS_ROCM_HAS_WORKAROUNDS
+#ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
         T state = value;
         a(state);
         value = state;
@@ -347,7 +347,7 @@ struct tile_buffer<T[]>
 #if defined (ROCM15)
         a(value);
 #else
-#if KOKKOS_ROCM_HAS_WORKAROUNDS
+#ifdef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
         if (m > get_max_tile_array_size()) return;
         T state[get_max_tile_array_size()];
         // std::copy(value, value+m, state);
@@ -372,7 +372,6 @@ struct tile_buffer<T[]>
 #if defined (ROCM15)
         a(value);
 #else
-//#if KOKKOS_ROCM_HAS_WORKAROUNDS
         if (m > get_max_tile_array_size()) return;
         T state[get_max_tile_array_size()];
         // std::copy(value, value+m, state);
diff --git a/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp b/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
index e63f868c59..e88abdba50 100644
--- a/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
+++ b/lib/kokkos/core/src/Threads/Kokkos_ThreadsTeam.hpp
@@ -175,6 +175,27 @@ public:
 #endif
   }
 
+  template<class Closure, class ValueType>
+  KOKKOS_INLINE_FUNCTION
+  void team_broadcast(Closure const & f, ValueType& value, const int& thread_id) const
+  {
+#if ! defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
+    { }
+#else
+    // Make sure there is enough scratch space:
+    typedef typename if_c< sizeof(ValueType) < TEAM_REDUCE_SIZE
+                         , ValueType , void >::type type ;
+    f( value );
+    if ( m_team_base ) {
+      type * const local_value = ((type*) m_team_base[0]->scratch_memory());
+      if(team_rank() == thread_id) *local_value = value;
+      memory_fence();
+      team_barrier();
+      value = *local_value;
+    }
+#endif
+  }
+  
   template< typename Type >
   KOKKOS_INLINE_FUNCTION
   typename std::enable_if< !Kokkos::is_reducer< Type >::value , Type>::type
@@ -626,39 +647,77 @@ public:
 
   //----------------------------------------
 
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
   template< class FunctorType >
   inline static
   int team_size_max( const FunctorType & ) {
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      int pool_size = traits::execution_space::thread_pool_size(1);
-#else
-      int pool_size = traits::execution_space::impl_thread_pool_size(1);
-#endif
-      int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
-      return pool_size<max_host_team_size?pool_size:max_host_team_size;
-    }
-
+    int pool_size = traits::execution_space::thread_pool_size(1);
+    int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
+    return pool_size<max_host_team_size?pool_size:max_host_team_size;
+  }
 
   template< class FunctorType >
-  static int team_size_recommended( const FunctorType & )
-    {
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      return traits::execution_space::thread_pool_size(2);
-#else
-      return traits::execution_space::impl_thread_pool_size(2);
-#endif
-    }
-
+  inline static
+  int team_size_recommended( const FunctorType & )
+  {
+    return traits::execution_space::thread_pool_size(2);
+  }
 
   template< class FunctorType >
   inline static
   int team_size_recommended( const FunctorType &, const int& )
-    {
-#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
-      return traits::execution_space::thread_pool_size(2);
-#else
-      return traits::execution_space::impl_thread_pool_size(2);
+  {
+    return traits::execution_space::thread_pool_size(2);
+  }
 #endif
+
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelForTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    int pool_size = traits::execution_space::thread_pool_size(1);
+#else
+    int pool_size = traits::execution_space::impl_thread_pool_size(1);
+#endif
+    int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
+    return pool_size<max_host_team_size?pool_size:max_host_team_size;
+  }
+  template<class FunctorType>
+  int team_size_max( const FunctorType&, const ParallelReduceTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    int pool_size = traits::execution_space::thread_pool_size(1);
+#else
+    int pool_size = traits::execution_space::impl_thread_pool_size(1);
+#endif
+    int max_host_team_size =  Impl::HostThreadTeamData::max_team_members;
+    return pool_size<max_host_team_size?pool_size:max_host_team_size;
+  }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelForTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    return traits::execution_space::thread_pool_size(2);
+#else
+    return traits::execution_space::impl_thread_pool_size(2);
+#endif
+  }
+  template<class FunctorType>
+  int team_size_recommended( const FunctorType&, const ParallelReduceTag& ) const {
+#ifdef KOKKOS_ENABLE_DEPRECATED_CODE
+    return traits::execution_space::thread_pool_size(2);
+#else
+    return traits::execution_space::impl_thread_pool_size(2);
+#endif
+  }
+
+
+  inline static
+  int vector_length_max()
+    { return 1024; } // Use arbitrary large number, is meant as a vectorizable length
+
+  inline static
+  int scratch_size_max(int level)
+    { return (level==0?
+        1024*32: // Roughly L1 size
+        20*1024*1024); // Limit to keep compatibility with CUDA
     }
 
   //----------------------------------------
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_float_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int64_t_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_int_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_float_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int64_t_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp b/lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
similarity index 100%
rename from lib/kokkos/core/src/eti/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
rename to lib/kokkos/core/src/eti/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Makefile.eti_Experimental::ROCm b/lib/kokkos/core/src/eti/ROCm/Makefile.eti_Experimental::ROCm
deleted file mode 100644
index 054360fd17..0000000000
--- a/lib/kokkos/core/src/eti/ROCm/Makefile.eti_Experimental::ROCm
+++ /dev/null
@@ -1,288 +0,0 @@
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank8.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_int_LayoutLeft_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutLeft_Rank8.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
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-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
-Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
-	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_Experimental::ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/eti/ROCm/Makefile.eti_ROCm b/lib/kokkos/core/src/eti/ROCm/Makefile.eti_ROCm
new file mode 100644
index 0000000000..0423c6feb6
--- /dev/null
+++ b/lib/kokkos/core/src/eti/ROCm/Makefile.eti_ROCm
@@ -0,0 +1,288 @@
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutLeft_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutRight_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_int_LayoutStride_Rank5.cpp
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+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutRight_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int_double_LayoutStride_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutLeft_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutRight_Rank8.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank1.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank2.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank3.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank4.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank5.cpp
+Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_ETI_PATH)/ROCm/Kokkos_ROCm_ViewCopyETIInst_int64_t_double_LayoutStride_Rank8.cpp
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
index ad115dd8ff..e2028db8c8 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp
@@ -107,7 +107,12 @@ T atomic_compare_exchange( volatile T * const dest , const T & compare ,
   T return_val;
   // This is a way to (hopefully) avoid dead lock in a warp
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -119,7 +124,11 @@ T atomic_compare_exchange( volatile T * const dest , const T & compare ,
         done = 1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 }
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp
index 801a8091dd..4e41cb1258 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp
@@ -130,7 +130,12 @@ T atomic_exchange( volatile T * const dest ,
 #endif
 
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -141,7 +146,11 @@ T atomic_exchange( volatile T * const dest ,
         done = 1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 }
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
index 8249e709da..e2e23bb5fd 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp
@@ -143,7 +143,12 @@ T atomic_fetch_add( volatile T * const dest ,
   T return_val;
   // This is a way to (hopefully) avoid dead lock in a warp
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -155,7 +160,12 @@ T atomic_fetch_add( volatile T * const dest ,
         done = 1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 }
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
index 3f58c55396..dd69c967c5 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Sub.hpp
@@ -135,7 +135,12 @@ T atomic_fetch_sub( volatile T * const dest ,
   T return_val;
   // This is a way to (hopefully) avoid dead lock in a warp
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -146,7 +151,11 @@ T atomic_fetch_sub( volatile T * const dest ,
         done = 1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 }
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
index 6140d45896..74e9db303d 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp
@@ -246,7 +246,12 @@ T atomic_fetch_oper( const Oper& op, volatile T * const dest ,
   // This is a way to (hopefully) avoid dead lock in a warp
   T return_val;
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -257,7 +262,11 @@ T atomic_fetch_oper( const Oper& op, volatile T * const dest ,
         done=1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 #endif
@@ -285,7 +294,12 @@ T atomic_oper_fetch( const Oper& op, volatile T * const dest ,
   T return_val;
   // This is a way to (hopefully) avoid dead lock in a warp
   int done = 0;
-  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT(1);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+  unsigned int mask = KOKKOS_IMPL_CUDA_ACTIVEMASK;
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,1);
+#else
+  unsigned int active = KOKKOS_IMPL_CUDA_BALLOT_MASK(1);
+#endif
   unsigned int done_active = 0;
   while (active!=done_active) {
     if(!done) {
@@ -296,7 +310,11 @@ T atomic_oper_fetch( const Oper& op, volatile T * const dest ,
         done=1;
       }
     }
-    done_active = KOKKOS_IMPL_CUDA_BALLOT(done);
+#ifdef KOKKOS_IMPL_CUDA_SYNCWARP_NEEDS_MASK
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(mask,done);
+#else
+    done_active = KOKKOS_IMPL_CUDA_BALLOT_MASK(done);
+#endif
   }
   return return_val;
 #endif
diff --git a/lib/kokkos/core/src/impl/Kokkos_Atomic_Windows.hpp b/lib/kokkos/core/src/impl/Kokkos_Atomic_Windows.hpp
index eeec2d1f4b..b18134f40c 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Atomic_Windows.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Atomic_Windows.hpp
@@ -45,13 +45,17 @@
 
 #ifdef _WIN32
 
+#ifndef NOMINMAX
 #define NOMINMAX
+#endif
 #include <winsock2.h>
-#include <Windows.h>
+#include <windows.h>
 
 namespace Kokkos {
   namespace Impl {
+#ifdef _MSC_VER
     _declspec(align(16))
+#endif
     struct cas128_t
     {
       LONGLONG lower;
@@ -60,7 +64,11 @@ namespace Kokkos {
         bool operator != (const cas128_t& a) const {
         return (lower != a.lower) || upper != a.upper;
       }
-    };
+    }
+#ifdef __GNUC__
+    __attribute__ ((aligned (16)))
+#endif
+    ;
   }
 
   template < typename T >
diff --git a/lib/kokkos/core/src/impl/Kokkos_Core.cpp b/lib/kokkos/core/src/impl/Kokkos_Core.cpp
index 8184dad3ec..628e070a0d 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Core.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Core.cpp
@@ -780,8 +780,20 @@ void print_configuration( std::ostream & out , const bool detail )
 #else
   msg << "no" << std::endl;
 #endif
-  msg << "  KOKKOS_ENABLE_CXX1Z: ";
-#ifdef KOKKOS_ENABLE_CXX1Z
+  msg << "  KOKKOS_ENABLE_CXX14: ";
+#ifdef KOKKOS_ENABLE_CXX14
+  msg << "yes" << std::endl;
+#else
+  msg << "no" << std::endl;
+#endif
+  msg << "  KOKKOS_ENABLE_CXX17: ";
+#ifdef KOKKOS_ENABLE_CXX17
+  msg << "yes" << std::endl;
+#else
+  msg << "no" << std::endl;
+#endif
+  msg << "  KOKKOS_ENABLE_CXX20: ";
+#ifdef KOKKOS_ENABLE_CXX20
   msg << "yes" << std::endl;
 #else
   msg << "no" << std::endl;
diff --git a/lib/kokkos/core/src/impl/Kokkos_HBWSpace.cpp b/lib/kokkos/core/src/impl/Kokkos_HBWSpace.cpp
index 699902e320..680e937db4 100644
--- a/lib/kokkos/core/src/impl/Kokkos_HBWSpace.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_HBWSpace.cpp
@@ -235,6 +235,8 @@ SharedAllocationRecord( const Kokkos::Experimental::HBWSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  RecordBase::m_alloc_ptr->m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp b/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
index da9ce6b9fb..d8cb7593bf 100644
--- a/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
@@ -356,6 +356,8 @@ SharedAllocationRecord( const Kokkos::HostSpace & arg_space
           , arg_label.c_str()
           , SharedAllocationHeader::maximum_label_length
           );
+  // Set last element zero, in case c_str is too long
+  RecordBase::m_alloc_ptr->m_label[SharedAllocationHeader::maximum_label_length - 1] = (char) 0;
 }
 
 //----------------------------------------------------------------------------
diff --git a/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp b/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
index 558eef9e4a..fff48e87f6 100644
--- a/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_HostThreadTeam.hpp
@@ -144,6 +144,30 @@ public:
 
     return m_team_rank == 0;
   }
+  
+  inline
+  bool team_rendezvous(const int source_team_rank) const noexcept
+  {
+    int * ptr = (int *)(m_team_scratch + m_team_rendezvous);
+    HostBarrier::split_arrive( ptr
+                             , m_team_size
+                             , m_team_rendezvous_step
+                             );
+    if (m_team_rank != source_team_rank) {
+      HostBarrier::wait( ptr
+                       , m_team_size
+                       , m_team_rendezvous_step
+                       );
+    }
+    else {
+      HostBarrier::split_master_wait( ptr
+                                    , m_team_size
+                                    , m_team_rendezvous_step
+                                    );
+    }
+
+    return (m_team_rank == source_team_rank);
+  }
 
   inline
   void team_rendezvous_release() const noexcept
@@ -540,15 +564,16 @@ public:
     {
       if ( 1 < m_data.m_team_size ) {
         T volatile * const shared_value = (T*) m_data.team_reduce();
-
+		
         // Don't overwrite shared memory until all threads arrive
 
-        if ( m_data.team_rendezvous() ) {
+        if ( m_data.team_rendezvous(source_team_rank) ) {
+
           // All threads have entered 'team_rendezvous'
           // only this thread returned from 'team_rendezvous'
           // with a return value of 'true'
 
-          *shared_value = value ;
+          *shared_value = value;
 
           m_data.team_rendezvous_release();
           // This thread released all other threads from 'team_rendezvous'
@@ -574,7 +599,7 @@ public:
 
       // Don't overwrite shared memory until all threads arrive
 
-      if ( m_data.team_rendezvous() ) {
+      if ( m_data.team_rendezvous(source_team_rank) ) {
 
         // All threads have entered 'team_rendezvous'
         // only this thread returned from 'team_rendezvous'
diff --git a/lib/kokkos/core/src/impl/Kokkos_OldMacros.hpp b/lib/kokkos/core/src/impl/Kokkos_OldMacros.hpp
index bad158c291..c3198c0f13 100644
--- a/lib/kokkos/core/src/impl/Kokkos_OldMacros.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_OldMacros.hpp
@@ -142,18 +142,13 @@
 #endif
 #endif
 
-#ifdef KOKKOS_HAVE_CXX1Z
+
+#if defined(KOKKOS_HAVE_CXX1Z) || defined(KOKKOS_ENABLE_CXX17)
 #ifndef KOKKOS_ENABLE_CXX1Z
 #define KOKKOS_ENABLE_CXX1Z KOKKOS_HAVE_CXX1Z
 #endif
 #endif
 
-#ifdef KOKKOS_HAVE_DEBUG
-#ifndef KOKKOS_DEBUG
-#define KOKKOS_DEBUG KOKKOS_HAVE_DEBUG
-#endif
-#endif
-
 #ifdef KOKKOS_HAVE_DEFAULT_DEVICE_TYPE_CUDA
 #ifndef KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_CUDA
 #define KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_CUDA KOKKOS_HAVE_DEFAULT_DEVICE_TYPE_CUDA
@@ -482,6 +477,12 @@
 #define KOKKOS_HAVE_DEBUG 1
 #endif
 
+#ifdef KOKKOS_HAVE_DEBUG
+#ifndef KOKKOS_DEBUG
+#define KOKKOS_DEBUG KOKKOS_HAVE_DEBUG
+#endif
+#endif
+
 #if (!defined(KOKKOS_HAVE_HWLOC)) && defined(KOKKOS_ENABLE_HWLOC)
 #define KOKKOS_HAVE_HWLOC 1
 #endif
diff --git a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
index 7b85909ed5..d84a854622 100644
--- a/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_Serial_Task.cpp
@@ -60,10 +60,10 @@ template class TaskQueue< Kokkos::Serial > ;
 void TaskQueueSpecialization< Kokkos::Serial >::execute
   ( TaskQueue< Kokkos::Serial > * const queue )
 {
-  using execution_space = Kokkos::Serial ;
-  using queue_type      = TaskQueue< execution_space > ;
+  using exec_space = Kokkos::Serial ;
+  using tqs_queue_type      = TaskQueue< exec_space > ;
   using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< execution_space > ;
+  using Member          = Impl::HostThreadTeamMember< exec_space > ;
 
   task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
 
@@ -83,9 +83,9 @@ void TaskQueueSpecialization< Kokkos::Serial >::execute
 
     task_root_type * task = end ;
 
-    for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+    for ( int i = 0 ; i < tqs_queue_type::NumQueue && end == task ; ++i ) {
       for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-        task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
+        task = tqs_queue_type::pop_ready_task( & queue->m_ready[i][j] );
       }
     }
 
@@ -120,10 +120,10 @@ void TaskQueueSpecialization< Kokkos::Serial > ::
   iff_single_thread_recursive_execute(
     TaskQueue< Kokkos::Serial > * const queue )
 {
-  using execution_space = Kokkos::Serial ;
-  using queue_type      = TaskQueue< execution_space > ;
+  using exec_space = Kokkos::Serial ;
+  using tqs_queue_type      = TaskQueue< exec_space > ;
   using task_root_type  = TaskBase< void , void , void > ;
-  using Member          = Impl::HostThreadTeamMember< execution_space > ;
+  using Member          = Impl::HostThreadTeamMember< exec_space > ;
 
   task_root_type * const end = (task_root_type *) task_root_type::EndTag ;
 
@@ -139,9 +139,9 @@ void TaskQueueSpecialization< Kokkos::Serial > ::
 
     task = end ;
 
-    for ( int i = 0 ; i < queue_type::NumQueue && end == task ; ++i ) {
+    for ( int i = 0 ; i < tqs_queue_type::NumQueue && end == task ; ++i ) {
       for ( int j = 0 ; j < 2 && end == task ; ++j ) {
-        task = queue_type::pop_ready_task( & queue->m_ready[i][j] );
+        task = tqs_queue_type::pop_ready_task( & queue->m_ready[i][j] );
       }
     }
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
index 3c306ec94b..d4e3a03d38 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewArray.hpp
@@ -123,8 +123,8 @@ private:
 
   typedef typename Traits::value_type::pointer handle_type ;
 
-  handle_type  m_handle ;
-  offset_type  m_offset ;
+  handle_type  m_impl_handle ;
+  offset_type  m_impl_offset ;
   size_t       m_stride ;
 
   typedef typename Traits::value_type::value_type scalar_type ;
@@ -140,8 +140,8 @@ private:
 
   KOKKOS_INLINE_FUNCTION
   ViewMapping( const handle_type & arg_handle , const offset_type & arg_offset )
-    : m_handle( arg_handle )
-    , m_offset( arg_offset )
+    : m_impl_handle( arg_handle )
+    , m_impl_offset( arg_offset )
     , m_stride( is_contiguous_reference ? 0 : arg_offset.span() )
     {}
 
@@ -154,44 +154,44 @@ public:
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION constexpr size_t extent( const iType & r ) const
-    { return m_offset.m_dim.extent(r); }
+    { return m_impl_offset.m_dim.extent(r); }
 
   KOKKOS_INLINE_FUNCTION constexpr
   typename Traits::array_layout layout() const
-    { return m_offset.layout(); }
+    { return m_impl_offset.layout(); }
 
 
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_0() const { return m_offset.dimension_0(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_1() const { return m_offset.dimension_1(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_2() const { return m_offset.dimension_2(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_3() const { return m_offset.dimension_3(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_4() const { return m_offset.dimension_4(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_5() const { return m_offset.dimension_5(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_6() const { return m_offset.dimension_6(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_7() const { return m_offset.dimension_7(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_0() const { return m_impl_offset.dimension_0(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_1() const { return m_impl_offset.dimension_1(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_2() const { return m_impl_offset.dimension_2(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_3() const { return m_impl_offset.dimension_3(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_4() const { return m_impl_offset.dimension_4(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_5() const { return m_impl_offset.dimension_5(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_6() const { return m_impl_offset.dimension_6(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_7() const { return m_impl_offset.dimension_7(); }
 
   // Is a regular layout with uniform striding for each index.
   using is_regular = typename offset_type::is_regular ;
 
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_0() const { return m_offset.stride_0(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_1() const { return m_offset.stride_1(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_2() const { return m_offset.stride_2(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_3() const { return m_offset.stride_3(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_4() const { return m_offset.stride_4(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_5() const { return m_offset.stride_5(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_6() const { return m_offset.stride_6(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_7() const { return m_offset.stride_7(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_0() const { return m_impl_offset.stride_0(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_1() const { return m_impl_offset.stride_1(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_2() const { return m_impl_offset.stride_2(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_3() const { return m_impl_offset.stride_3(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_4() const { return m_impl_offset.stride_4(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_5() const { return m_impl_offset.stride_5(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_6() const { return m_impl_offset.stride_6(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_7() const { return m_impl_offset.stride_7(); }
 
   //----------------------------------------
   // Range span
 
   /** \brief  Span of the mapped range */
   KOKKOS_INLINE_FUNCTION constexpr size_t span() const
-    { return m_offset.span() * Array_N ; }
+    { return m_impl_offset.span() * Array_N ; }
 
   /** \brief  Is the mapped range span contiguous */
   KOKKOS_INLINE_FUNCTION constexpr bool span_is_contiguous() const
-    { return m_offset.span_is_contiguous(); }
+    { return m_impl_offset.span_is_contiguous(); }
 
   typedef typename std::conditional< is_contiguous_reference , contiguous_reference , strided_reference >::type  reference_type ;
 
@@ -199,63 +199,63 @@ public:
 
   /** \brief  If data references are lvalue_reference than can query pointer to memory */
   KOKKOS_INLINE_FUNCTION constexpr pointer_type data() const
-    { return m_handle ; }
+    { return m_impl_handle ; }
 
   //----------------------------------------
   // The View class performs all rank and bounds checking before
   // calling these element reference methods.
 
   KOKKOS_FORCEINLINE_FUNCTION
-  reference_type reference() const { return reference_type( m_handle + 0 , Array_N , 0 ); }
+  reference_type reference() const { return reference_type( m_impl_handle + 0 , Array_N , 0 ); }
 
   template< typename I0 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type
   reference( const I0 & i0 ) const
-    { return reference_type( m_handle + m_offset(i0) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 ) const
-    { return reference_type( m_handle + m_offset(i0,i1) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 , typename I3 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2,i3) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2,i3) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2,i3,i4) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2,i3,i4) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2,i3,i4,i5) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2,i3,i4,i5) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 , typename I6 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 , const I6 & i6 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2,i3,i4,i5,i6) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2,i3,i4,i5,i6) * Array_S , Array_N , m_stride ); }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 , typename I6 , typename I7 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7 ) const
-    { return reference_type( m_handle + m_offset(i0,i1,i2,i3,i4,i5,i6,i7) * Array_S , Array_N , m_stride ); }
+    { return reference_type( m_impl_handle + m_impl_offset(i0,i1,i2,i3,i4,i5,i6,i7) * Array_S , Array_N , m_stride ); }
 
   //----------------------------------------
 
@@ -269,31 +269,31 @@ public:
   /** \brief  Span, in bytes, of the referenced memory */
   KOKKOS_INLINE_FUNCTION constexpr size_t memory_span() const
     {
-      return ( m_offset.span() * Array_N * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
+      return ( m_impl_offset.span() * Array_N * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
     }
 
   //----------------------------------------
 
   KOKKOS_INLINE_FUNCTION ~ViewMapping() {}
-  KOKKOS_INLINE_FUNCTION ViewMapping() : m_handle(), m_offset(), m_stride(0) {}
+  KOKKOS_INLINE_FUNCTION ViewMapping() : m_impl_handle(), m_impl_offset(), m_stride(0) {}
   KOKKOS_INLINE_FUNCTION ViewMapping( const ViewMapping & rhs )
-    : m_handle( rhs.m_handle ), m_offset( rhs.m_offset ), m_stride( rhs.m_stride ) {}
+    : m_impl_handle( rhs.m_impl_handle ), m_impl_offset( rhs.m_impl_offset ), m_stride( rhs.m_stride ) {}
   KOKKOS_INLINE_FUNCTION ViewMapping & operator = ( const ViewMapping & rhs )
-    { m_handle = rhs.m_handle ; m_offset = rhs.m_offset ; m_stride = rhs.m_stride ; ; return *this ; }
+    { m_impl_handle = rhs.m_impl_handle ; m_impl_offset = rhs.m_impl_offset ; m_stride = rhs.m_stride ; ; return *this ; }
 
   KOKKOS_INLINE_FUNCTION ViewMapping( ViewMapping && rhs )
-    : m_handle( rhs.m_handle ), m_offset( rhs.m_offset ), m_stride( rhs.m_stride ) {}
+    : m_impl_handle( rhs.m_impl_handle ), m_impl_offset( rhs.m_impl_offset ), m_stride( rhs.m_stride ) {}
   KOKKOS_INLINE_FUNCTION ViewMapping & operator = ( ViewMapping && rhs )
-    { m_handle = rhs.m_handle ; m_offset = rhs.m_offset ; m_stride = rhs.m_stride ; return *this ; }
+    { m_impl_handle = rhs.m_impl_handle ; m_impl_offset = rhs.m_impl_offset ; m_stride = rhs.m_stride ; return *this ; }
 
   //----------------------------------------
 
   template< class ... Args >
   KOKKOS_INLINE_FUNCTION
   ViewMapping( pointer_type ptr , Args ... args )
-    : m_handle( ptr )
-    , m_offset( std::integral_constant< unsigned , 0 >() , args... )
-    , m_stride( m_offset.span() )
+    : m_impl_handle( ptr )
+    , m_impl_offset( std::integral_constant< unsigned , 0 >() , args... )
+    , m_stride( m_impl_offset.span() )
     {}
 
   //----------------------------------------
@@ -315,10 +315,10 @@ public:
     typedef std::integral_constant< unsigned ,
       alloc_prop::allow_padding ? sizeof(scalar_type) : 0 > padding ;
 
-    m_offset = offset_type( padding(), arg_layout );
+    m_impl_offset = offset_type( padding(), arg_layout );
 
     const size_t alloc_size =
-      ( m_offset.span() * Array_N * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
+      ( m_impl_offset.span() * Array_N * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
 
     // Allocate memory from the memory space and create tracking record.
     record_type * const record =
@@ -327,14 +327,14 @@ public:
                            , alloc_size );
 
     if ( alloc_size ) {
-      m_handle =
+      m_impl_handle =
         handle_type( reinterpret_cast< pointer_type >( record->data() ) );
 
       if ( alloc_prop::initialize ) {
         // The functor constructs and destroys
         record->m_destroy = functor_type( ((Kokkos::Impl::ViewCtorProp<void,execution_space> const & )arg_prop).value
-                                        , (pointer_type) m_handle
-                                        , m_offset.span() * Array_N
+                                        , (pointer_type) m_impl_handle
+                                        , m_impl_offset.span() * Array_N
                                         );
 
         record->m_destroy.construct_shared_allocation();
@@ -397,8 +397,8 @@ public:
 
       typedef typename DstType::offset_type  dst_offset_type ;
 
-      dst.m_offset = dst_offset_type( src.m_offset );
-      dst.m_handle = src.m_handle ;
+      dst.m_impl_offset = dst_offset_type( src.m_impl_offset );
+      dst.m_impl_handle = src.m_impl_handle ;
       dst.m_stride = src.m_stride ;
     }
 };
@@ -448,7 +448,7 @@ public:
       // Array dimension becomes the last dimension.
       // Arguments beyond the destination rank are ignored.
       if ( src.span_is_contiguous() ) { // not padded
-        dst.m_offset = dst_offset_type( std::integral_constant<unsigned,0>() ,
+        dst.m_impl_offset = dst_offset_type( std::integral_constant<unsigned,0>() ,
           typename DstTraits::array_layout
             ( ( 0 < SrcType::Rank ? src.dimension_0() : SrcTraits::value_type::size() )
             , ( 1 < SrcType::Rank ? src.dimension_1() : SrcTraits::value_type::size() )
@@ -463,7 +463,7 @@ public:
       else { // is padded
         typedef std::integral_constant<unsigned,sizeof(typename SrcTraits::value_type::value_type)> padded ;
 
-        dst.m_offset = dst_offset_type( padded() ,
+        dst.m_impl_offset = dst_offset_type( padded() ,
           typename DstTraits::array_layout
             ( ( 0 < SrcType::Rank ? src.dimension_0() : SrcTraits::value_type::size() )
             , ( 1 < SrcType::Rank ? src.dimension_1() : SrcTraits::value_type::size() )
@@ -476,7 +476,7 @@ public:
             ) );
       }
 
-      dst.m_handle = src.m_handle ;
+      dst.m_impl_handle = src.m_impl_handle ;
     }
 };
 
@@ -579,11 +579,11 @@ public:
       typedef typename DstType::handle_type  dst_handle_type ;
 
       const SubviewExtents< SrcTraits::rank , rank >
-        extents( src.m_offset.m_dim , args... );
+        extents( src.m_impl_offset.m_dim , args... );
 
-      dst.m_offset = dst_offset_type( src.m_offset , extents );
-      dst.m_handle = dst_handle_type( src.m_handle +
-                                      src.m_offset( extents.domain_offset(0)
+      dst.m_impl_offset = dst_offset_type( src.m_impl_offset , extents );
+      dst.m_impl_handle = dst_handle_type( src.m_impl_handle +
+                                      src.m_impl_offset( extents.domain_offset(0)
                                                   , extents.domain_offset(1)
                                                   , extents.domain_offset(2)
                                                   , extents.domain_offset(3)
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewLayoutTiled.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewLayoutTiled.hpp
new file mode 100644
index 0000000000..a64101110f
--- /dev/null
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewLayoutTiled.hpp
@@ -0,0 +1,945 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#ifndef KOKKOS_EXPERIMENTAL_VIEWLAYOUTTILE_HPP
+#define KOKKOS_EXPERIMENTAL_VIEWLAYOUTTILE_HPP
+
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+
+#include <Kokkos_Layout.hpp>
+#include <Kokkos_View.hpp>
+
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+namespace Kokkos {
+
+// View offset and mapping for tiled view's
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, 0, 0, 0, 0, 0, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, 0, 0, 0, 0, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, 0, 0, 0, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, 0, 0, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, 0, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 >
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, 0, true> > : public std::true_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 > 
+struct is_array_layout < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > : public std::true_type {};
+
+
+template< class L >
+struct is_array_layout_tiled : public std::false_type {};
+
+template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP, unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 , unsigned ArgN7 , bool IsPowerTwo >
+struct is_array_layout_tiled < Kokkos::Experimental::LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, IsPowerTwo> > : public std::true_type {}; // Last template parameter "true" meaning this currently only supports powers-of-two
+
+
+namespace Impl {
+
+template< class Dimension , class Layout >
+struct ViewOffset< Dimension , Layout ,
+  typename std::enable_if<(
+    ( Dimension::rank <= 8 )
+    &&
+    ( Dimension::rank >= 2 )
+    &&
+    is_array_layout< Layout >::value
+    &&
+    is_array_layout_tiled< Layout >::value
+  )>::type >
+{
+public:
+
+//  enum { outer_pattern = Layout::outer_pattern };
+//  enum { inner_pattern = Layout::inner_pattern };
+  static constexpr Kokkos::Iterate outer_pattern = Layout::outer_pattern;
+  static constexpr Kokkos::Iterate inner_pattern = Layout::inner_pattern;
+
+  enum { VORank = Dimension::rank };
+
+  enum { SHIFT_0 = Kokkos::Impl::integral_power_of_two(Layout::N0) };
+  enum { SHIFT_1 = Kokkos::Impl::integral_power_of_two(Layout::N1) };
+  enum { SHIFT_2 = Kokkos::Impl::integral_power_of_two(Layout::N2) };
+  enum { SHIFT_3 = Kokkos::Impl::integral_power_of_two(Layout::N3) };
+  enum { SHIFT_4 = Kokkos::Impl::integral_power_of_two(Layout::N4) };
+  enum { SHIFT_5 = Kokkos::Impl::integral_power_of_two(Layout::N5) };
+  enum { SHIFT_6 = Kokkos::Impl::integral_power_of_two(Layout::N6) };
+  enum { SHIFT_7 = Kokkos::Impl::integral_power_of_two(Layout::N7) };
+  enum { MASK_0  = Layout::N0 - 1 };
+  enum { MASK_1  = Layout::N1 - 1 };
+  enum { MASK_2  = Layout::N2 - 1 };
+  enum { MASK_3  = Layout::N3 - 1 };
+  enum { MASK_4  = Layout::N4 - 1 };
+  enum { MASK_5  = Layout::N5 - 1 };
+  enum { MASK_6  = Layout::N6 - 1 };
+  enum { MASK_7  = Layout::N7 - 1 };
+
+  enum { SHIFT_2T = SHIFT_0 + SHIFT_1 };
+  enum { SHIFT_3T = SHIFT_0 + SHIFT_1 + SHIFT_2 };
+  enum { SHIFT_4T = SHIFT_0 + SHIFT_1 + SHIFT_2 + SHIFT_3 };
+  enum { SHIFT_5T = SHIFT_0 + SHIFT_1 + SHIFT_2 + SHIFT_3 + SHIFT_4 };
+  enum { SHIFT_6T = SHIFT_0 + SHIFT_1 + SHIFT_2 + SHIFT_3 + SHIFT_4 + SHIFT_5 };
+  enum { SHIFT_7T = SHIFT_0 + SHIFT_1 + SHIFT_2 + SHIFT_3 + SHIFT_4 + SHIFT_5 + SHIFT_6 };
+  enum { SHIFT_8T = SHIFT_0 + SHIFT_1 + SHIFT_2 + SHIFT_3 + SHIFT_4 + SHIFT_5 + SHIFT_6 + SHIFT_7 };
+
+  // Is an irregular layout that does not have uniform striding for each index.
+  using is_mapping_plugin = std::true_type ;
+  using is_regular        = std::false_type ;
+
+  typedef size_t     size_type ;
+  typedef Dimension  dimension_type ;
+  typedef Layout     array_layout ;
+
+  dimension_type m_dim ;
+  size_type      m_tile_N0 ; // Num tiles dim 0
+  size_type      m_tile_N1 ;
+  size_type      m_tile_N2 ;
+  size_type      m_tile_N3 ;
+  size_type      m_tile_N4 ;
+  size_type      m_tile_N5 ;
+  size_type      m_tile_N6 ;
+  size_type      m_tile_N7 ;
+
+  //----------------------------------------
+
+#define DEBUG_OUTPUT_CHECK 0
+
+  // Rank 2
+  template< typename I0 , typename I1 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 ) const {
+    auto tile_offset = (outer_pattern == (Kokkos::Iterate::Left)) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1)) ) << SHIFT_2T)
+                     : ( ( (m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) ) << SHIFT_2T) ;
+    //                     ( num_tiles[1] * ti0     +  ti1 ) * FTD
+
+    auto local_offset = (inner_pattern == (Kokkos::Iterate::Left)) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) )
+                      : ( ((i0 & MASK_0) << SHIFT_1) + (i1 & MASK_1) ) ;
+    //                     ( tile_dim[1] * li0         +  li1 )
+
+#if DEBUG_OUTPUT_CHECK
+    std::cout << "Am I Outer Left? " << (outer_pattern == (Kokkos::Iterate::Left)) << std::endl;
+    std::cout << "Am I Inner Left? " << (inner_pattern == (Kokkos::Iterate::Left)) << std::endl;
+    std::cout << "i0 = " << i0
+      << " i1 = " << i1
+      << "\ntilei0 = " << (i0>>SHIFT_0)
+      << " tilei1 = " << (i1>>SHIFT_1)
+      << "locali0 = " << (i0 & MASK_0)
+      << "\nlocali1 = " << (i1 & MASK_1) 
+      << std::endl;
+#endif
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 3
+  template< typename I0 , typename I1 , typename I2 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*(i2>>SHIFT_2)) ) << SHIFT_3T)
+                     : ( ( m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2) ) << SHIFT_3T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_2)) + (i2 & MASK_2) ) ;
+
+#if DEBUG_OUTPUT_CHECK
+    std::cout << "Am I Outer Left? " << (outer_pattern == (Kokkos::Iterate::Left)) << std::endl;
+    std::cout << "Am I Inner Left? " << (inner_pattern == (Kokkos::Iterate::Left)) << std::endl;
+    std::cout << "i0 = " << i0
+      << " i1 = " << i1
+      << " i2 = " << i2
+      << "\ntilei0 = " << (i0>>SHIFT_0)
+      << " tilei1 = " << (i1>>SHIFT_1)
+      << " tilei2 = " << (i2>>SHIFT_2)
+      << "\nlocali0 = " << (i0 & MASK_0)
+      << "locali1 = " << (i1 & MASK_1)
+      << "locali2 = " << (i2 & MASK_2)
+      << std::endl;
+#endif
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 4
+  template< typename I0 , typename I1 , typename I2 , typename I3 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 , I3 const & i3 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*((i2>>SHIFT_2) + m_tile_N2*(i3>>SHIFT_3))) ) << SHIFT_4T)
+                     : ( ( m_tile_N3*(m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2)) + (i3>>SHIFT_3) ) << SHIFT_4T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) + ((i3 & MASK_3)<<(SHIFT_0+SHIFT_1+SHIFT_2)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_3+SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_3+SHIFT_2)) + ((i2 & MASK_2)<<(SHIFT_3)) + (i3 & MASK_3) ) ;
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 5
+  template< typename I0 , typename I1 , typename I2 , typename I3 , typename I4 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 , I3 const & i3 , I4 const & i4 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*((i2>>SHIFT_2) + m_tile_N2*((i3>>SHIFT_3) + m_tile_N3*(i4>>SHIFT_4)))) ) << SHIFT_5T)
+                     : ( ( m_tile_N4*(m_tile_N3*(m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2)) + (i3>>SHIFT_3)) + (i4>>SHIFT_4) ) << SHIFT_5T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) + ((i3 & MASK_3)<<(SHIFT_0+SHIFT_1+SHIFT_2)) + ((i4 & MASK_4)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_4+SHIFT_3+SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_4+SHIFT_3+SHIFT_2)) + ((i2 & MASK_2)<<(SHIFT_4+SHIFT_3)) + ((i3 & MASK_3)<<(SHIFT_4)) + (i4 & MASK_4) ) ;
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 6
+  template< typename I0 , typename I1 , typename I2 , typename I3 , typename I4 , typename I5 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 , I3 const & i3 , I4 const & i4 , I5 const & i5 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*((i2>>SHIFT_2) + m_tile_N2*((i3>>SHIFT_3) + m_tile_N3*((i4>>SHIFT_4) + m_tile_N4*(i5>>SHIFT_5))))) ) << SHIFT_6T)
+                     : ( ( m_tile_N5*(m_tile_N4*(m_tile_N3*(m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2)) + (i3>>SHIFT_3)) + (i4>>SHIFT_4)) + (i5>>SHIFT_5) ) << SHIFT_6T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) + ((i3 & MASK_3)<<(SHIFT_0+SHIFT_1+SHIFT_2)) + ((i4 & MASK_4)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3)) + ((i5 & MASK_5)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2)) + ((i2 & MASK_2)<<(SHIFT_5+SHIFT_4+SHIFT_3)) + ((i3 & MASK_3)<<(SHIFT_5+SHIFT_4)) + ((i4 & MASK_4)<<(SHIFT_5)) + (i5 & MASK_5) ) ;
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 7
+  template< typename I0 , typename I1 , typename I2 , typename I3 , typename I4 , typename I5 , typename I6 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 , I3 const & i3 , I4 const & i4 , I5 const & i5 , I6 const & i6 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*((i2>>SHIFT_2) + m_tile_N2*((i3>>SHIFT_3) + m_tile_N3*((i4>>SHIFT_4) + m_tile_N4*((i5>>SHIFT_5) + m_tile_N5*(i6>>SHIFT_6)))))) ) << SHIFT_7T)
+                     : ( ( m_tile_N6*(m_tile_N5*(m_tile_N4*(m_tile_N3*(m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2)) + (i3>>SHIFT_3)) + (i4>>SHIFT_4)) + (i5>>SHIFT_5)) + (i6>>SHIFT_6) ) << SHIFT_7T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) + ((i3 & MASK_3)<<(SHIFT_0+SHIFT_1+SHIFT_2)) + ((i4 & MASK_4)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3)) + ((i5 & MASK_5)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4)) + ((i6 & MASK_6)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4+SHIFT_5)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2)) + ((i2 & MASK_2)<<(SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3)) + ((i3 & MASK_3)<<(SHIFT_6+SHIFT_5+SHIFT_4)) + ((i4 & MASK_4)<<(SHIFT_6+SHIFT_5)) + ((i5 & MASK_5)<<(SHIFT_6)) + (i6 & MASK_6) ) ;
+
+    return tile_offset + local_offset;
+  }
+
+  // Rank 8
+  template< typename I0 , typename I1 , typename I2 , typename I3 , typename I4 , typename I5 , typename I6 , typename I7 >
+  KOKKOS_INLINE_FUNCTION
+  size_type operator()( I0 const & i0 , I1 const & i1 , I2 const & i2 , I3 const & i3 , I4 const & i4 , I5 const & i5 , I6 const & i6 , I7 const & i7 ) const {
+    auto tile_offset = (outer_pattern == Kokkos::Iterate::Left) 
+                     ? ( ( (i0>>SHIFT_0) + m_tile_N0*((i1>>SHIFT_1) + m_tile_N1*((i2>>SHIFT_2) + m_tile_N2*((i3>>SHIFT_3) + m_tile_N3*((i4>>SHIFT_4) + m_tile_N4*((i5>>SHIFT_5) + m_tile_N5*((i6>>SHIFT_6) + m_tile_N6*(i7>>SHIFT_7))))))) ) << SHIFT_8T)
+                     : ( ( m_tile_N7*(m_tile_N6*(m_tile_N5*(m_tile_N4*(m_tile_N3*(m_tile_N2*(m_tile_N1*(i0>>SHIFT_0) + (i1>>SHIFT_1)) + (i2>>SHIFT_2)) + (i3>>SHIFT_3)) + (i4>>SHIFT_4)) + (i5>>SHIFT_5)) + (i6>>SHIFT_6)) + (i7>>SHIFT_7) ) << SHIFT_8T) ;
+
+    auto local_offset = (inner_pattern == Kokkos::Iterate::Left) 
+                      ? ( (i0 & MASK_0) + ((i1 & MASK_1)<<SHIFT_0) + ((i2 & MASK_2)<<(SHIFT_0+SHIFT_1)) + ((i3 & MASK_3)<<(SHIFT_0+SHIFT_1+SHIFT_2)) + ((i4 & MASK_4)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3)) + ((i5 & MASK_5)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4)) + ((i6 & MASK_6)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4+SHIFT_5)) + ((i7 & MASK_7)<<(SHIFT_0+SHIFT_1+SHIFT_2+SHIFT_3+SHIFT_4+SHIFT_5+SHIFT_6)) )
+                      : ( ((i0 & MASK_0) << (SHIFT_7+SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2+SHIFT_1)) + ((i1 & MASK_1) << (SHIFT_7+SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3+SHIFT_2)) + ((i2 & MASK_2)<<(SHIFT_7+SHIFT_6+SHIFT_5+SHIFT_4+SHIFT_3)) + ((i3 & MASK_3)<<(SHIFT_7+SHIFT_6+SHIFT_5+SHIFT_4)) + ((i4 & MASK_4)<<(SHIFT_7+SHIFT_6+SHIFT_5)) + ((i5 & MASK_5)<<(SHIFT_7+SHIFT_6)) + ((i6 & MASK_6)<<(SHIFT_7)) + (i7 & MASK_7) ) ;
+
+    return tile_offset + local_offset;
+  }
+
+  //----------------------------------------
+
+  KOKKOS_INLINE_FUNCTION constexpr
+  array_layout layout() const
+    { return array_layout( m_dim.N0 , m_dim.N1 , m_dim.N2 , m_dim.N2  , m_dim.N3  , m_dim.N4  , m_dim.N5  , m_dim.N6  , m_dim.N7 ); }
+
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_0() const { return m_dim.N0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_1() const { return m_dim.N1 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_2() const { return m_dim.N2 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_3() const { return m_dim.N3 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_4() const { return m_dim.N4 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_5() const { return m_dim.N5 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_6() const { return m_dim.N6 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type dimension_7() const { return m_dim.N7 ; }
+
+  KOKKOS_INLINE_FUNCTION constexpr size_type size() const { return m_dim.N0 * m_dim.N1 * m_dim.N2 * m_dim.N3 * m_dim.N4 * m_dim.N5 * m_dim.N6 * m_dim.N7 ; }
+
+  // Strides are meaningless due to irregularity
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_0() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_1() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_2() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_3() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_4() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_5() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_6() const { return 0 ; }
+  KOKKOS_INLINE_FUNCTION constexpr size_type stride_7() const { return 0 ; }
+
+  // Stride with [ rank ] value is the total length
+  template< typename iType >
+  KOKKOS_INLINE_FUNCTION
+  void stride( iType * const s ) const
+    {
+      s[0] = 0 ;
+      if ( 0 < dimension_type::rank ) { s[1] = 0 ; }
+      if ( 1 < dimension_type::rank ) { s[2] = 0 ; }
+      if ( 2 < dimension_type::rank ) { s[3] = 0 ; }
+      if ( 3 < dimension_type::rank ) { s[4] = 0 ; }
+      if ( 4 < dimension_type::rank ) { s[5] = 0 ; }
+      if ( 5 < dimension_type::rank ) { s[6] = 0 ; }
+      if ( 6 < dimension_type::rank ) { s[7] = 0 ; }
+      if ( 7 < dimension_type::rank ) { s[8] = 0 ; }
+    }
+
+  KOKKOS_INLINE_FUNCTION constexpr size_type span() const
+    {
+      // Rank2: ( NumTile0 * ( NumTile1 ) ) * TileSize, etc
+      return   ( VORank == 2 ) ? ( m_tile_N0 * m_tile_N1 ) << SHIFT_2T
+             : ( VORank == 3 ) ? ( m_tile_N0 * m_tile_N1 * m_tile_N2 ) << SHIFT_3T
+             : ( VORank == 4 ) ? ( m_tile_N0 * m_tile_N1 * m_tile_N2 * m_tile_N3 ) << SHIFT_4T
+             : ( VORank == 5 ) ? ( m_tile_N0 * m_tile_N1 * m_tile_N2 * m_tile_N3 * m_tile_N4 ) << SHIFT_5T
+             : ( VORank == 6 ) ? ( m_tile_N0 * m_tile_N1 * m_tile_N2 * m_tile_N3 * m_tile_N4 * m_tile_N5 ) << SHIFT_6T
+             : ( VORank == 7 ) ? ( m_tile_N0 * m_tile_N1 * m_tile_N2 * m_tile_N3 * m_tile_N4 * m_tile_N5 * m_tile_N6 ) << SHIFT_7T
+             : ( m_tile_N0 * m_tile_N1 * m_tile_N2 * m_tile_N3 * m_tile_N4 * m_tile_N5 * m_tile_N6 * m_tile_N7 ) << SHIFT_8T ;
+    }
+
+  KOKKOS_INLINE_FUNCTION constexpr bool span_is_contiguous() const
+    {
+      return true;
+    }
+
+  //----------------------------------------
+
+#ifdef KOKKOS_CUDA_9_DEFAULTED_BUG_WORKAROUND
+  KOKKOS_INLINE_FUNCTION ~ViewOffset() {}
+  KOKKOS_INLINE_FUNCTION ViewOffset() {}
+  KOKKOS_INLINE_FUNCTION ViewOffset( const ViewOffset & rhs )
+  : m_dim(rhs.m_dim)
+  , m_tile_N0(rhs.m_tile_N0)
+  , m_tile_N1(rhs.m_tile_N1)
+  , m_tile_N2(rhs.m_tile_N2)
+  , m_tile_N3(rhs.m_tile_N3)
+  , m_tile_N4(rhs.m_tile_N4)
+  , m_tile_N5(rhs.m_tile_N5)
+  , m_tile_N6(rhs.m_tile_N6)
+  , m_tile_N7(rhs.m_tile_N7)
+  {}
+
+  KOKKOS_INLINE_FUNCTION ViewOffset & operator = ( const ViewOffset & rhs ) {
+    m_dim = rhs.m_dim;
+    m_tile_N0 = rhs.m_tile_N0;
+    m_tile_N1 = rhs.m_tile_N1;
+    m_tile_N2 = rhs.m_tile_N2;
+    m_tile_N3 = rhs.m_tile_N3;
+    m_tile_N4 = rhs.m_tile_N4;
+    m_tile_N5 = rhs.m_tile_N5;
+    m_tile_N6 = rhs.m_tile_N6;
+    m_tile_N7 = rhs.m_tile_N7;
+    return *this;
+  }
+
+#else
+  KOKKOS_INLINE_FUNCTION ~ViewOffset() = default;
+  KOKKOS_INLINE_FUNCTION ViewOffset() = default;
+  KOKKOS_INLINE_FUNCTION ViewOffset( const ViewOffset & ) = default;
+  KOKKOS_INLINE_FUNCTION ViewOffset & operator = ( const ViewOffset & ) = default;
+#endif
+
+  template< unsigned TrivialScalarSize >
+  KOKKOS_INLINE_FUNCTION
+  constexpr ViewOffset( std::integral_constant<unsigned,TrivialScalarSize> const & ,
+                        array_layout const arg_layout )
+    : m_dim( arg_layout.dimension[0], arg_layout.dimension[1], arg_layout.dimension[2], arg_layout.dimension[3], arg_layout.dimension[4], arg_layout.dimension[5], arg_layout.dimension[6], arg_layout.dimension[7] )
+    , m_tile_N0( ( arg_layout.dimension[0] + MASK_0 ) >> SHIFT_0 /* number of tiles in first dimension */ )
+    , m_tile_N1( ( arg_layout.dimension[1] + MASK_1 ) >> SHIFT_1 )
+    , m_tile_N2( (VORank > 2 ) ? ( arg_layout.dimension[2] + MASK_2 ) >> SHIFT_2 : 0 )
+    , m_tile_N3( (VORank > 3 ) ? ( arg_layout.dimension[3] + MASK_3 ) >> SHIFT_3 : 0 )
+    , m_tile_N4( (VORank > 4 ) ? ( arg_layout.dimension[4] + MASK_4 ) >> SHIFT_4 : 0 )
+    , m_tile_N5( (VORank > 5 ) ? ( arg_layout.dimension[5] + MASK_5 ) >> SHIFT_5 : 0 )
+    , m_tile_N6( (VORank > 6 ) ? ( arg_layout.dimension[6] + MASK_6 ) >> SHIFT_6 : 0 )
+    , m_tile_N7( (VORank > 7 ) ? ( arg_layout.dimension[7] + MASK_7 ) >> SHIFT_7 : 0 )
+    {}
+
+};
+
+
+//----------------------------------------
+
+
+// ViewMapping assign method needed in order to return a 'subview' tile as a proper View
+// The outer iteration pattern determines the mapping of the pointer offset to the beginning of requested tile
+// The inner iteration pattern is needed for the layout of the tile's View to be returned
+// Rank 2
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1
+        >
+struct ViewMapping
+  < typename std::enable_if< (N2 == 0 && N3 == 0 && N4 == 0 && N5 == 0 && N6 == 0 && N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T**,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( (i_tile0 + src.m_impl_offset.m_tile_N0 * i_tile1) << src_offset_type::SHIFT_2T )
+                                          : ( (src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1) << src_offset_type::SHIFT_2T )
+                          ) // offset to start of the tile
+                        )
+       , dst_offset_type() );
+    }
+};
+
+// Rank 3
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2
+        >
+struct ViewMapping
+  < typename std::enable_if< (N3 == 0 && N4 == 0 && N5 == 0 && N6 == 0 && N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T***,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T*** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * i_tile2 ) ) << src_offset_type::SHIFT_3T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) << src_offset_type::SHIFT_3T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+// Rank 4
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2 , typename iType3
+        >
+struct ViewMapping
+  < typename std::enable_if< (N4 == 0 && N5 == 0 && N6 == 0 && N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T****,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 
+  , iType3 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T**** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2][N3] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2][N3] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             , const iType3 i_tile3
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * ( i_tile2 + src.m_impl_offset.m_tile_N2 * i_tile3 ) ) ) << src_offset_type::SHIFT_4T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N3 * ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) + i_tile3 ) << src_offset_type::SHIFT_4T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+// Rank 5
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2 , typename iType3 , typename iType4
+        >
+struct ViewMapping
+  < typename std::enable_if< (N5 == 0 && N6 == 0 && N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T*****,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 
+  , iType3
+  , iType4 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T***** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2][N3][N4] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2][N3][N4] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             , const iType3 i_tile3
+             , const iType4 i_tile4
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * ( i_tile2 + src.m_impl_offset.m_tile_N2 * ( i_tile3 + src.m_impl_offset.m_tile_N3 * i_tile4 ) ) ) ) << src_offset_type::SHIFT_5T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N4 * ( src.m_impl_offset.m_tile_N3 * ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) + i_tile3 ) + i_tile4 ) << src_offset_type::SHIFT_5T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+// Rank 6
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2 , typename iType3 , typename iType4 , typename iType5
+        >
+struct ViewMapping
+  < typename std::enable_if< (N6 == 0 && N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T******,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 
+  , iType3
+  , iType4
+  , iType5 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T****** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2][N3][N4][N5] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2][N3][N4][N5] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             , const iType3 i_tile3
+             , const iType4 i_tile4
+             , const iType5 i_tile5
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * ( i_tile2 + src.m_impl_offset.m_tile_N2 * ( i_tile3 + src.m_impl_offset.m_tile_N3 * ( i_tile4 + src.m_impl_offset.m_tile_N4 * i_tile5 ) ) ) ) ) << src_offset_type::SHIFT_6T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N5 * ( src.m_impl_offset.m_tile_N4 * ( src.m_impl_offset.m_tile_N3 * ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) + i_tile3 ) + i_tile4 ) + i_tile5 ) << src_offset_type::SHIFT_6T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+// Rank 7
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2 , typename iType3 , typename iType4 , typename iType5 , typename iType6
+        >
+struct ViewMapping
+  < typename std::enable_if< (N7 == 0) >::type //void
+  , Kokkos::ViewTraits<T*******,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 
+  , iType3
+  , iType4
+  , iType5 
+  , iType6 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T******* , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2][N3][N4][N5][N6] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             , const iType3 i_tile3
+             , const iType4 i_tile4
+             , const iType5 i_tile5
+             , const iType6 i_tile6
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * ( i_tile2 + src.m_impl_offset.m_tile_N2 * ( i_tile3 + src.m_impl_offset.m_tile_N3 * ( i_tile4 + src.m_impl_offset.m_tile_N4 * ( i_tile5 + src.m_impl_offset.m_tile_N5 * i_tile6 ) ) ) ) ) ) << src_offset_type::SHIFT_7T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N6 * ( src.m_impl_offset.m_tile_N5 * ( src.m_impl_offset.m_tile_N4 * ( src.m_impl_offset.m_tile_N3 * ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) + i_tile3 ) + i_tile4 ) + i_tile5 ) + i_tile6 ) << src_offset_type::SHIFT_7T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+// Rank 8
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7
+        , class ... P
+        , typename iType0 , typename iType1 , typename iType2 , typename iType3 , typename iType4 , typename iType5 , typename iType6 , typename iType7
+        >
+struct ViewMapping
+  < typename std::enable_if< (N0 != 0 && N1 != 0 && N2 != 0 && N3 != 0 && N4 != 0 && N5 != 0 && N6 != 0 && N7 != 0) >::type //void
+  , Kokkos::ViewTraits<T********,Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>,P...>
+  , Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>
+  , iType0
+  , iType1
+  , iType2 
+  , iType3
+  , iType4
+  , iType5 
+  , iType6
+  , iType7 >
+{
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>  src_layout ;
+  typedef Kokkos::ViewTraits< T******** , src_layout , P... > src_traits ;
+
+  enum { is_outer_left = (OuterP == Kokkos::Iterate::Left) };
+  enum { is_inner_left = (InnerP == Kokkos::Iterate::Left) };
+  typedef typename std::conditional< is_inner_left, Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::ViewTraits< T[N0][N1][N2][N3][N4][N5][N6][N7] , array_layout , P ... > traits ;
+  typedef Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6][N7] , array_layout , P ... > type ;
+
+  KOKKOS_INLINE_FUNCTION static
+  void assign( ViewMapping< traits , void > & dst
+             , const ViewMapping< src_traits , void > & src
+             , const src_layout &
+             , const iType0 i_tile0
+             , const iType1 i_tile1
+             , const iType2 i_tile2
+             , const iType3 i_tile3
+             , const iType4 i_tile4
+             , const iType5 i_tile5
+             , const iType6 i_tile6
+             , const iType7 i_tile7
+             )
+    {
+      typedef ViewMapping< traits , void >        dst_map_type ;
+      typedef ViewMapping< src_traits , void >    src_map_type ;
+      typedef typename dst_map_type::handle_type  dst_handle_type ;
+      typedef typename dst_map_type::offset_type  dst_offset_type ;
+      typedef typename src_map_type::offset_type  src_offset_type ;
+
+      dst = dst_map_type(
+         dst_handle_type( src.m_impl_handle +
+                          ( is_outer_left ? ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * ( i_tile1 + src.m_impl_offset.m_tile_N1 * ( i_tile2 + src.m_impl_offset.m_tile_N2 * ( i_tile3 + src.m_impl_offset.m_tile_N3 * ( i_tile4 + src.m_impl_offset.m_tile_N4 * ( i_tile5 + src.m_impl_offset.m_tile_N5 * ( i_tile6 + src.m_impl_offset.m_tile_N6 * i_tile7 ) ) ) ) ) ) ) << src_offset_type::SHIFT_8T ) 
+                                          : ( ( src.m_impl_offset.m_tile_N7 * ( src.m_impl_offset.m_tile_N6 * ( src.m_impl_offset.m_tile_N5 * ( src.m_impl_offset.m_tile_N4 * ( src.m_impl_offset.m_tile_N3 * ( src.m_impl_offset.m_tile_N2 * ( src.m_impl_offset.m_tile_N1 * i_tile0 + i_tile1 ) + i_tile2 ) + i_tile3 ) + i_tile4 ) + i_tile5 ) + i_tile6 ) + i_tile7 ) << src_offset_type::SHIFT_8T )
+                          )
+                        ) // offset to start of the tile
+       , dst_offset_type() );
+    }
+};
+
+
+} /* namespace Impl */
+} /* namespace Kokkos */
+
+//----------------------------------------
+
+namespace Kokkos {
+
+// Rank 2
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T**, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 );
+}
+
+// Rank 3
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T***, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 );
+}
+
+// Rank 4
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2][N3] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T****, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            , const size_t i_tile3
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2][N3] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 , i_tile3 );
+}
+
+// Rank 5
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2][N3][N4] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T*****, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            , const size_t i_tile3
+            , const size_t i_tile4
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2][N3][N4] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 , i_tile3 , i_tile4 );
+}
+
+// Rank 6
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2][N3][N4][N5] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T******, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            , const size_t i_tile3
+            , const size_t i_tile4
+            , const size_t i_tile5
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2][N3][N4][N5] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 , i_tile3 , i_tile4 , i_tile5 );
+}
+
+// Rank 7
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T*******, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            , const size_t i_tile3
+            , const size_t i_tile4
+            , const size_t i_tile5
+            , const size_t i_tile6
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 , i_tile3 , i_tile4 , i_tile5 , i_tile6 );
+}
+
+// Rank 8
+template< typename T , Kokkos::Iterate OuterP , Kokkos::Iterate InnerP , unsigned N0 , unsigned N1 , unsigned N2 , unsigned N3 , unsigned N4 , unsigned N5 , unsigned N6 , unsigned N7 
+        , class ... P 
+        >
+KOKKOS_INLINE_FUNCTION
+Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6][N7] , typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type , P... >
+tile_subview( const Kokkos::View<T********, Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true>, P...> & src
+            , const size_t i_tile0
+            , const size_t i_tile1
+            , const size_t i_tile2
+            , const size_t i_tile3
+            , const size_t i_tile4
+            , const size_t i_tile5
+            , const size_t i_tile6
+            , const size_t i_tile7
+            )
+{
+  // Force the specialized ViewMapping for extracting a tile
+  // by using the first subview argument as the layout.
+  typedef typename std::conditional< (InnerP == Kokkos::Iterate::Left), Kokkos::LayoutLeft, Kokkos::LayoutRight >::type array_layout;
+  typedef Kokkos::Experimental::LayoutTiled<OuterP,InnerP,N0,N1,N2,N3,N4,N5,N6,N7,true> SrcLayout ;
+
+  return Kokkos::View< T[N0][N1][N2][N3][N4][N5][N6][N7] , array_layout , P... >
+    ( src , SrcLayout() , i_tile0 , i_tile1 , i_tile2 , i_tile3 , i_tile4 , i_tile5 , i_tile6 , i_tile7 );
+}
+
+} /* namespace Kokkos */
+#endif //!defined(KOKKOS_ENABLE_DEPRECATED_CODE
+//----------------------------------------------------------------------------
+//----------------------------------------------------------------------------
+
+#endif /* #ifndef KOKKOS_EXPERIENTAL_VIEWLAYOUTTILE_HPP */
+
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
index d4890c5342..bb3bcfd334 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp
@@ -260,6 +260,9 @@ namespace Impl {
 struct ALL_t {
   KOKKOS_INLINE_FUNCTION
   constexpr const ALL_t & operator()() const { return *this ; }
+
+  KOKKOS_INLINE_FUNCTION
+  constexpr bool operator == ( const ALL_t & right) const { return true;}
 };
 
 }} // namespace Kokkos::Impl
@@ -1030,13 +1033,6 @@ struct ViewOffset< Dimension , Kokkos::LayoutLeft
   ViewOffset( const ViewOffset< DimRHS , Kokkos::LayoutStride , void > & rhs )
     : m_dim( rhs.m_dim.N0, 0, 0, 0, 0, 0, 0, 0 )
     {
-      static_assert( 
-        ( DimRHS::rank == 0 &&
-          dimension_type::rank == 0 ) ||
-        ( DimRHS::rank == 1 &&
-          dimension_type::rank == 1 &&
-          dimension_type::rank_dynamic == 1 )
-        , "ViewOffset LayoutLeft and LayoutStride are only compatible when rank <= 1" );
       if ( rhs.m_stride.S0 != 1 ) {
         Kokkos::abort("Kokkos::Impl::ViewOffset assignment of LayoutLeft from LayoutStride  requires stride == 1" );
       }
@@ -1275,6 +1271,18 @@ public:
       // Also requires equal static dimensions ...
     }
 
+  template< class DimRHS >
+  KOKKOS_INLINE_FUNCTION
+  ViewOffset( const ViewOffset< DimRHS , Kokkos::LayoutStride , void > & rhs )
+    : m_dim( rhs.m_dim.N0 , rhs.m_dim.N1 , rhs.m_dim.N2 , rhs.m_dim.N3
+           , rhs.m_dim.N4 , rhs.m_dim.N5 , rhs.m_dim.N6 , rhs.m_dim.N7 )
+    , m_stride( rhs.stride_1() )
+    {
+      if ( rhs.m_stride.S0 != 1 ) {
+        Kokkos::abort("Kokkos::Impl::ViewOffset assignment of LayoutLeft from LayoutStride requires stride == 1" );
+      }
+    }
+
   //----------------------------------------
   // Subview construction
   // This subview must be 2 == rank and 2 == rank_dynamic
@@ -1518,16 +1526,7 @@ struct ViewOffset< Dimension , Kokkos::LayoutRight
   ViewOffset( const ViewOffset< DimRHS , Kokkos::LayoutStride , void > & rhs )
     : m_dim( rhs.m_dim.N0, 0, 0, 0, 0, 0, 0, 0 )
     {
-      static_assert(
-       ( DimRHS::rank == 0 &&
-         dimension_type::rank == 0 ) ||
-       ( DimRHS::rank == 1 &&
-         dimension_type::rank == 1 &&
-         dimension_type::rank_dynamic == 1 )
-      , "ViewOffset LayoutRight and LayoutString are only compatible when rank <= 1" );
-      if ( rhs.m_stride.S0 != 1 ) {
-        Kokkos::abort("Kokkos::Impl::ViewOffset assignment of LayoutLeft/Right from LayoutStride  requires stride == 1" );
-      }
+
     }
 
   //----------------------------------------
@@ -1771,6 +1770,23 @@ public:
       // Also requires equal static dimensions ...
     }
 
+  template< class DimRHS >
+  KOKKOS_INLINE_FUNCTION
+  ViewOffset( const ViewOffset< DimRHS , Kokkos::LayoutStride , void > & rhs )
+    : m_dim( rhs.m_dim.N0 , rhs.m_dim.N1 , rhs.m_dim.N2 , rhs.m_dim.N3
+           , rhs.m_dim.N4 , rhs.m_dim.N5 , rhs.m_dim.N6 , rhs.m_dim.N7 )
+    , m_stride( rhs.stride_0() )
+    {
+      if ( ((dimension_type::rank == 2)?rhs.m_stride.S1:
+           ((dimension_type::rank == 3)?rhs.m_stride.S2:
+           ((dimension_type::rank == 4)?rhs.m_stride.S3:
+           ((dimension_type::rank == 5)?rhs.m_stride.S4:
+           ((dimension_type::rank == 6)?rhs.m_stride.S5:
+           ((dimension_type::rank == 7)?rhs.m_stride.S6:rhs.m_stride.S7)))))) != 1 ){
+        Kokkos::abort("Kokkos::Impl::ViewOffset assignment of LayoutRight from LayoutStride requires right-most stride == 1" );
+      }
+    }
+
   //----------------------------------------
   // Subview construction
   // Last dimension must be non-zero
@@ -2498,7 +2514,7 @@ struct ViewValueFunctor< ExecSpace , ValueType , false /* is_scalar */ >
 #if defined(KOKKOS_ENABLE_PROFILING)
         uint64_t kpID = 0;
         if(Kokkos::Profiling::profileLibraryLoaded()) {
-          Kokkos::Profiling::beginParallelFor("Kokkos::View::initialization", 0, &kpID);
+          Kokkos::Profiling::beginParallelFor((destroy ? "Kokkos::View::destruction" : "Kokkos::View::initialization"), 0, &kpID);
         }
 #endif
         const Kokkos::Impl::ParallelFor< ViewValueFunctor , PolicyType >
@@ -2588,11 +2604,8 @@ class ViewMapping< Traits ,
               , void >::is_mapping_plugin::value
   )>::type >
 {
-private:
-
-  template< class , class ... > friend class ViewMapping ;
-  template< class , class ... > friend class Kokkos::View ;
 
+public:
   typedef ViewOffset< typename Traits::dimension
                     , typename Traits::array_layout
                     , void
@@ -2600,13 +2613,17 @@ private:
 
   typedef typename ViewDataHandle< Traits >::handle_type  handle_type ;
 
-  handle_type  m_handle ;
-  offset_type  m_offset ;
+  handle_type  m_impl_handle ;
+  offset_type  m_impl_offset ;
+
+private:
+
+  template < class , class ...> friend class ViewMapping;
 
   KOKKOS_INLINE_FUNCTION
   ViewMapping( const handle_type & arg_handle , const offset_type & arg_offset )
-    : m_handle( arg_handle )
-    , m_offset( arg_offset )
+    : m_impl_handle( arg_handle )
+    , m_impl_offset( arg_offset )
     {}
 
 public:
@@ -2621,44 +2638,44 @@ public:
 
   template< typename iType >
   KOKKOS_INLINE_FUNCTION constexpr size_t extent( const iType & r ) const
-    { return m_offset.m_dim.extent(r); }
+    { return m_impl_offset.m_dim.extent(r); }
 
   KOKKOS_INLINE_FUNCTION constexpr
   typename Traits::array_layout layout() const
-    { return m_offset.layout(); }
+    { return m_impl_offset.layout(); }
 
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_0() const { return m_offset.dimension_0(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_1() const { return m_offset.dimension_1(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_2() const { return m_offset.dimension_2(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_3() const { return m_offset.dimension_3(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_4() const { return m_offset.dimension_4(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_5() const { return m_offset.dimension_5(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_6() const { return m_offset.dimension_6(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_7() const { return m_offset.dimension_7(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_0() const { return m_impl_offset.dimension_0(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_1() const { return m_impl_offset.dimension_1(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_2() const { return m_impl_offset.dimension_2(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_3() const { return m_impl_offset.dimension_3(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_4() const { return m_impl_offset.dimension_4(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_5() const { return m_impl_offset.dimension_5(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_6() const { return m_impl_offset.dimension_6(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t dimension_7() const { return m_impl_offset.dimension_7(); }
 
   // Is a regular layout with uniform striding for each index.
   using is_regular = typename offset_type::is_regular ;
 
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_0() const { return m_offset.stride_0(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_1() const { return m_offset.stride_1(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_2() const { return m_offset.stride_2(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_3() const { return m_offset.stride_3(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_4() const { return m_offset.stride_4(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_5() const { return m_offset.stride_5(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_6() const { return m_offset.stride_6(); }
-  KOKKOS_INLINE_FUNCTION constexpr size_t stride_7() const { return m_offset.stride_7(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_0() const { return m_impl_offset.stride_0(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_1() const { return m_impl_offset.stride_1(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_2() const { return m_impl_offset.stride_2(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_3() const { return m_impl_offset.stride_3(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_4() const { return m_impl_offset.stride_4(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_5() const { return m_impl_offset.stride_5(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_6() const { return m_impl_offset.stride_6(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t stride_7() const { return m_impl_offset.stride_7(); }
 
   template< typename iType >
-  KOKKOS_INLINE_FUNCTION void stride( iType * const s ) const { m_offset.stride(s); }
+  KOKKOS_INLINE_FUNCTION void stride( iType * const s ) const { m_impl_offset.stride(s); }
 
   //----------------------------------------
   // Range span
 
   /** \brief  Span of the mapped range */
-  KOKKOS_INLINE_FUNCTION constexpr size_t span() const { return m_offset.span(); }
+  KOKKOS_INLINE_FUNCTION constexpr size_t span() const { return m_impl_offset.span(); }
 
   /** \brief  Is the mapped range span contiguous */
-  KOKKOS_INLINE_FUNCTION constexpr bool span_is_contiguous() const { return m_offset.span_is_contiguous(); }
+  KOKKOS_INLINE_FUNCTION constexpr bool span_is_contiguous() const { return m_impl_offset.span_is_contiguous(); }
 
   typedef typename ViewDataHandle< Traits >::return_type  reference_type ;
   typedef typename Traits::value_type *                   pointer_type ;
@@ -2666,7 +2683,7 @@ public:
   /** \brief  Query raw pointer to memory */
   KOKKOS_INLINE_FUNCTION constexpr pointer_type data() const
     {
-      return m_handle;
+      return m_impl_handle;
     }
 
   //----------------------------------------
@@ -2674,7 +2691,7 @@ public:
   // calling these element reference methods.
 
   KOKKOS_FORCEINLINE_FUNCTION
-  reference_type reference() const { return m_handle[0]; }
+  reference_type reference() const { return m_impl_handle[0]; }
 
   template< typename I0 >
   KOKKOS_FORCEINLINE_FUNCTION
@@ -2682,7 +2699,7 @@ public:
     std::enable_if< std::is_integral<I0>::value &&
                     ! std::is_same< typename Traits::array_layout , Kokkos::LayoutStride >::value
                   , reference_type >::type
-  reference( const I0 & i0 ) const { return m_handle[i0]; }
+  reference( const I0 & i0 ) const { return m_impl_handle[i0]; }
 
   template< typename I0 >
   KOKKOS_FORCEINLINE_FUNCTION
@@ -2690,50 +2707,50 @@ public:
     std::enable_if< std::is_integral<I0>::value &&
                     std::is_same< typename Traits::array_layout , Kokkos::LayoutStride >::value
                   , reference_type >::type
-  reference( const I0 & i0 ) const { return m_handle[ m_offset(i0) ]; }
+  reference( const I0 & i0 ) const { return m_impl_handle[ m_impl_offset(i0) ]; }
 
   template< typename I0 , typename I1 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 ) const
-    { return m_handle[ m_offset(i0,i1) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1) ]; }
 
   template< typename I0 , typename I1 , typename I2 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 ) const
-    { return m_handle[ m_offset(i0,i1,i2) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2) ]; }
 
   template< typename I0 , typename I1 , typename I2 , typename I3 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3 ) const
-    { return m_handle[ m_offset(i0,i1,i2,i3) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2,i3) ]; }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 ) const
-    { return m_handle[ m_offset(i0,i1,i2,i3,i4) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2,i3,i4) ]; }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 ) const
-    { return m_handle[ m_offset(i0,i1,i2,i3,i4,i5) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2,i3,i4,i5) ]; }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 , typename I6 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 , const I6 & i6 ) const
-    { return m_handle[ m_offset(i0,i1,i2,i3,i4,i5,i6) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2,i3,i4,i5,i6) ]; }
 
   template< typename I0 , typename I1 , typename I2 , typename I3
           , typename I4 , typename I5 , typename I6 , typename I7 >
   KOKKOS_FORCEINLINE_FUNCTION
   reference_type reference( const I0 & i0 , const I1 & i1 , const I2 & i2 , const I3 & i3
                           , const I4 & i4 , const I5 & i5 , const I6 & i6 , const I7 & i7 ) const
-    { return m_handle[ m_offset(i0,i1,i2,i3,i4,i5,i6,i7) ]; }
+    { return m_impl_handle[ m_impl_offset(i0,i1,i2,i3,i4,i5,i6,i7) ]; }
 
   //----------------------------------------
 
@@ -2747,22 +2764,22 @@ public:
   /** \brief  Span, in bytes, of the referenced memory */
   KOKKOS_INLINE_FUNCTION constexpr size_t memory_span() const
     {
-      return ( m_offset.span() * sizeof(typename Traits::value_type) + MemorySpanMask ) & ~size_t(MemorySpanMask);
+      return ( m_impl_offset.span() * sizeof(typename Traits::value_type) + MemorySpanMask ) & ~size_t(MemorySpanMask);
     }
 
   //----------------------------------------
 
   KOKKOS_INLINE_FUNCTION ~ViewMapping() {}
-  KOKKOS_INLINE_FUNCTION ViewMapping() : m_handle(), m_offset() {}
+  KOKKOS_INLINE_FUNCTION ViewMapping() : m_impl_handle(), m_impl_offset() {}
   KOKKOS_INLINE_FUNCTION ViewMapping( const ViewMapping & rhs )
-    : m_handle( rhs.m_handle ), m_offset( rhs.m_offset ) {}
+    : m_impl_handle( rhs.m_impl_handle ), m_impl_offset( rhs.m_impl_offset ) {}
   KOKKOS_INLINE_FUNCTION ViewMapping & operator = ( const ViewMapping & rhs )
-    { m_handle = rhs.m_handle ; m_offset = rhs.m_offset ; return *this ; }
+    { m_impl_handle = rhs.m_impl_handle ; m_impl_offset = rhs.m_impl_offset ; return *this ; }
 
   KOKKOS_INLINE_FUNCTION ViewMapping( ViewMapping && rhs )
-    : m_handle( rhs.m_handle ), m_offset( rhs.m_offset ) {}
+    : m_impl_handle( rhs.m_impl_handle ), m_impl_offset( rhs.m_impl_offset ) {}
   KOKKOS_INLINE_FUNCTION ViewMapping & operator = ( ViewMapping && rhs )
-    { m_handle = rhs.m_handle ; m_offset = rhs.m_offset ; return *this ; }
+    { m_impl_handle = rhs.m_impl_handle ; m_impl_offset = rhs.m_impl_offset ; return *this ; }
 
   //----------------------------------------
 
@@ -2780,14 +2797,14 @@ public:
   ViewMapping( Kokkos::Impl::ViewCtorProp< P ... > const & arg_prop
              , typename Traits::array_layout const & arg_layout
              )
-    : m_handle( ( (Kokkos::Impl::ViewCtorProp<void,pointer_type> const &) arg_prop ).value )
-    , m_offset( std::integral_constant< unsigned , 0 >() , arg_layout )
+    : m_impl_handle( ( (Kokkos::Impl::ViewCtorProp<void,pointer_type> const &) arg_prop ).value )
+    , m_impl_offset( std::integral_constant< unsigned , 0 >() , arg_layout )
     {}
 
   /**\brief  Assign data */
   KOKKOS_INLINE_FUNCTION
   void assign_data( pointer_type arg_ptr )
-    { m_handle = handle_type( arg_ptr ); }
+    { m_impl_handle = handle_type( arg_ptr ); }
 
   //----------------------------------------
   /*  Allocate and construct mapped array.
@@ -2815,10 +2832,10 @@ public:
       , alloc_prop::allow_padding ? sizeof(value_type) : 0
       > padding ;
 
-    m_offset = offset_type( padding(), arg_layout );
+    m_impl_offset = offset_type( padding(), arg_layout );
 
     const size_t alloc_size =
-      ( m_offset.span() * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
+      ( m_impl_offset.span() * MemorySpanSize + MemorySpanMask ) & ~size_t(MemorySpanMask);
 
     // Create shared memory tracking record with allocate memory from the memory space
     record_type * const record =
@@ -2829,7 +2846,7 @@ public:
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     if ( alloc_size ) {
 #endif
-    m_handle = handle_type( reinterpret_cast< pointer_type >( record->data() ) );
+    m_impl_handle = handle_type( reinterpret_cast< pointer_type >( record->data() ) );
 #ifdef KOKKOS_ENABLE_DEPRECATED_CODE
     }
 #endif
@@ -2840,8 +2857,8 @@ public:
       // Assume destruction is only required when construction is requested.
       // The ViewValueFunctor has both value construction and destruction operators.
       record->m_destroy = functor_type( ( (Kokkos::Impl::ViewCtorProp<void,execution_space> const &) arg_prop).value
-                                      , (value_type *) m_handle
-                                      , m_offset.span()
+                                      , (value_type *) m_impl_handle
+                                      , m_impl_offset.span()
                                       );
 
       // Construct values
@@ -2859,16 +2876,17 @@ public:
 template< class DstTraits , class SrcTraits >
 class ViewMapping< DstTraits , SrcTraits ,
   typename std::enable_if<(
-    /* default mappings */
+    !(std::is_same<typename SrcTraits::array_layout, LayoutStride>::value) && //Added to have a new specialization for SrcType of LayoutStride
+    // default mappings
     std::is_same< typename DstTraits::specialize , void >::value
     &&
     std::is_same< typename SrcTraits::specialize , void >::value
     &&
     (
-      /* same layout */
+      // same layout
       std::is_same< typename DstTraits::array_layout , typename SrcTraits::array_layout >::value
       ||
-      /* known layout */
+      // known layout
       (
         (
           std::is_same< typename DstTraits::array_layout , Kokkos::LayoutLeft >::value ||
@@ -2968,8 +2986,127 @@ public:
         if(!assignable)
           Kokkos::abort("View Assignment: trying to assign runtime dimension to non matching compile time dimension.");
       }
-      dst.m_offset = dst_offset_type( src.m_offset );
-      dst.m_handle = Kokkos::Impl::ViewDataHandle< DstTraits >::assign( src.m_handle , src_track );
+      dst.m_impl_offset = dst_offset_type( src.m_impl_offset );
+      dst.m_impl_handle = Kokkos::Impl::ViewDataHandle< DstTraits >::assign( src.m_impl_handle , src_track );
+    }
+};
+
+//----------------------------------------------------------------------------
+//Create new specialization for SrcType of LayoutStride. Runtime check for compatible layout
+template< class DstTraits , class SrcTraits >
+class ViewMapping< DstTraits , SrcTraits ,
+  typename std::enable_if<(
+    std::is_same< typename SrcTraits::array_layout, Kokkos::LayoutStride >::value
+    &&
+    std::is_same< typename DstTraits::specialize , void >::value
+    &&
+    std::is_same< typename SrcTraits::specialize , void >::value
+    &&
+    (
+      // same layout
+      std::is_same< typename DstTraits::array_layout , typename SrcTraits::array_layout >::value
+      ||
+      // known layout
+      (
+        std::is_same< typename DstTraits::array_layout , Kokkos::LayoutLeft >::value ||
+        std::is_same< typename DstTraits::array_layout , Kokkos::LayoutRight >::value ||
+        std::is_same< typename DstTraits::array_layout , Kokkos::LayoutStride >::value
+      )
+    )
+  )>::type >
+{
+private:
+
+  enum { is_assignable_space =
+   Kokkos::Impl::MemorySpaceAccess
+     < typename DstTraits::memory_space
+     , typename SrcTraits::memory_space >::assignable };
+
+  enum { is_assignable_value_type =
+    std::is_same< typename DstTraits::value_type
+                , typename SrcTraits::value_type >::value ||
+    std::is_same< typename DstTraits::value_type
+                , typename SrcTraits::const_value_type >::value };
+
+  enum { is_assignable_dimension =
+    ViewDimensionAssignable< typename DstTraits::dimension
+                           , typename SrcTraits::dimension >::value };
+
+public:
+
+  enum { is_assignable = is_assignable_space &&
+                         is_assignable_value_type &&
+                         is_assignable_dimension };
+
+  typedef Kokkos::Impl::SharedAllocationTracker  TrackType ;
+  typedef ViewMapping< DstTraits , void >  DstType ;
+  typedef ViewMapping< SrcTraits , void >  SrcType ;
+
+  KOKKOS_INLINE_FUNCTION
+  static bool assignable_layout_check(DstType & dst, const SrcType & src) //Runtime check
+    {
+      size_t strides[9];
+      bool assignable = true;
+      src.stride(strides);
+      size_t exp_stride = 1;
+      if (std::is_same< typename DstTraits::array_layout, Kokkos::LayoutLeft >::value) {
+	    for(int i=0; i<src.Rank; i++) {
+          if (i>0) exp_stride *= src.extent(i-1);
+          if (strides[i] != exp_stride){assignable=false;break;}
+	    }
+      }
+      else if (std::is_same< typename DstTraits::array_layout, Kokkos::LayoutRight >::value) {
+	    for(int i=src.Rank-1; i>=0; i--) {
+          if (i<src.Rank-1) exp_stride *= src.extent(i+1);
+          if (strides[i] != exp_stride){assignable=false;break;}
+	    }
+      }
+      return assignable; 
+    }
+
+  KOKKOS_INLINE_FUNCTION
+  static void assign( DstType & dst , const SrcType & src , const TrackType & src_track )
+    {
+      static_assert( is_assignable_space
+                   , "View assignment must have compatible spaces" );
+
+      static_assert( is_assignable_value_type
+                   , "View assignment must have same value type or const = non-const" );
+
+      static_assert( is_assignable_dimension
+                   , "View assignment must have compatible dimensions" );
+
+      bool assignable_layout = assignable_layout_check(dst, src); //Runtime check
+      if(!assignable_layout)
+          Kokkos::abort("View assignment must have compatible layouts\n");
+	  
+      typedef typename DstType::offset_type  dst_offset_type ;
+
+      if ( size_t(DstTraits::dimension::rank_dynamic) < size_t(SrcTraits::dimension::rank_dynamic) ) {
+        typedef typename DstTraits::dimension dst_dim;
+        bool assignable =
+          ( ( 1 > DstTraits::dimension::rank_dynamic && 1 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN0 == src.dimension_0() : true ) &&
+          ( ( 2 > DstTraits::dimension::rank_dynamic && 2 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN1 == src.dimension_1() : true ) &&
+          ( ( 3 > DstTraits::dimension::rank_dynamic && 3 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN2 == src.dimension_2() : true ) &&
+          ( ( 4 > DstTraits::dimension::rank_dynamic && 4 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN3 == src.dimension_3() : true ) &&
+          ( ( 5 > DstTraits::dimension::rank_dynamic && 5 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN4 == src.dimension_4() : true ) &&
+          ( ( 6 > DstTraits::dimension::rank_dynamic && 6 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN5 == src.dimension_5() : true ) &&
+          ( ( 7 > DstTraits::dimension::rank_dynamic && 7 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN6 == src.dimension_6() : true ) &&
+          ( ( 8 > DstTraits::dimension::rank_dynamic && 8 <= SrcTraits::dimension::rank_dynamic ) ?
+            dst_dim::ArgN7 == src.dimension_7() : true )
+          ;
+        if(!assignable)
+          Kokkos::abort("View Assignment: trying to assign runtime dimension to non matching compile time dimension.");
+      }
+      dst.m_impl_offset = dst_offset_type( src.m_impl_offset );
+      dst.m_impl_handle = Kokkos::Impl::ViewDataHandle< DstTraits >::assign( src.m_impl_handle , src_track );
     }
 };
 
@@ -3106,12 +3243,12 @@ public:
       typedef typename DstType::offset_type  dst_offset_type ;
 
       const SubviewExtents< SrcTraits::rank , rank >
-        extents( src.m_offset.m_dim , args... );
+        extents( src.m_impl_offset.m_dim , args... );
 
-      dst.m_offset = dst_offset_type( src.m_offset , extents );
+      dst.m_impl_offset = dst_offset_type( src.m_impl_offset , extents );
 
-      dst.m_handle = ViewDataHandle< DstTraits >::assign(src.m_handle,
-          src.m_offset( extents.domain_offset(0)
+      dst.m_impl_handle = ViewDataHandle< DstTraits >::assign(src.m_impl_handle,
+          src.m_impl_offset( extents.domain_offset(0)
                       , extents.domain_offset(1)
                       , extents.domain_offset(2)
                       , extents.domain_offset(3)
@@ -3152,6 +3289,7 @@ bool view_verify_operator_bounds
          && view_verify_operator_bounds<R+1>( map , args ... );
 }
 
+
 template< unsigned , class MapType >
 inline
 void view_error_operator_bounds( char * , int , const MapType & )
@@ -3176,6 +3314,7 @@ void view_error_operator_bounds
   view_error_operator_bounds<R+1>(buf+n,len-n,map,args...);
 }
 
+
 #if ! defined( KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_HOST )
 
 /* Check #3: is the View managed as determined by the MemoryTraits? */
@@ -3275,6 +3414,8 @@ void view_verify_operator_bounds
   }
 }
 
+
+
 } /* namespace Impl */
 } /* namespace Kokkos */
 
diff --git a/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp b/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
index 42bc8c2308..716b9ceca5 100644
--- a/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
+++ b/lib/kokkos/core/src/impl/Kokkos_ViewTile.hpp
@@ -202,8 +202,8 @@ struct ViewMapping
       typedef typename src_map_type::offset_type  src_offset_type ;
 
       dst = dst_map_type(
-         dst_handle_type( src.m_handle +
-                        ( ( i_tile0 + src.m_offset.m_tile_N0 * i_tile1 ) << src_offset_type::SHIFT_T ) ) ,
+         dst_handle_type( src.m_impl_handle +
+                        ( ( i_tile0 + src.m_impl_offset.m_tile_N0 * i_tile1 ) << src_offset_type::SHIFT_T ) ) ,
          dst_offset_type() );
     }
 };
diff --git a/lib/kokkos/core/src/impl/Kokkos_hwloc.cpp b/lib/kokkos/core/src/impl/Kokkos_hwloc.cpp
index 7dc8a53566..423944962b 100644
--- a/lib/kokkos/core/src/impl/Kokkos_hwloc.cpp
+++ b/lib/kokkos/core/src/impl/Kokkos_hwloc.cpp
@@ -336,11 +336,11 @@ Sentinel::Sentinel()
 
     const hwloc_obj_t core = hwloc_get_obj_by_type( s_hwloc_topology , HWLOC_OBJ_CORE , 0 );
 
-    if ( hwloc_bitmap_intersects( s_process_binding , core->allowed_cpuset ) ) {
+    if ( hwloc_bitmap_intersects( s_process_binding , core->cpuset ) ) {
 
       hwloc_bitmap_t s_process_no_core_zero = hwloc_bitmap_alloc();
 
-      hwloc_bitmap_andnot( s_process_no_core_zero , s_process_binding , core->allowed_cpuset );
+      hwloc_bitmap_andnot( s_process_no_core_zero , s_process_binding , core->cpuset );
 
       bool ok = 0 == hwloc_set_cpubind( s_hwloc_topology ,
                                         s_process_no_core_zero ,
@@ -402,14 +402,14 @@ Sentinel::Sentinel()
 
     const hwloc_obj_t root = hwloc_get_obj_by_type( s_hwloc_topology , root_type , i );
 
-    if ( hwloc_bitmap_intersects( s_process_binding , root->allowed_cpuset ) ) {
+    if ( hwloc_bitmap_intersects( s_process_binding , root->cpuset ) ) {
 
       ++root_count ;
 
       // Remember which root (NUMA) object the master thread is running on.
       // This will be logical NUMA rank #0 for this process.
 
-      if ( hwloc_bitmap_intersects( proc_cpuset_location, root->allowed_cpuset ) ) {
+      if ( hwloc_bitmap_intersects( proc_cpuset_location, root->cpuset ) ) {
         root_base = i ;
       }
 
@@ -417,7 +417,7 @@ Sentinel::Sentinel()
 
       const unsigned max_core =
         hwloc_get_nbobjs_inside_cpuset_by_type( s_hwloc_topology ,
-                                                root->allowed_cpuset ,
+                                                root->cpuset ,
                                                 HWLOC_OBJ_CORE );
 
       unsigned core_count = 0 ;
@@ -426,7 +426,7 @@ Sentinel::Sentinel()
 
         const hwloc_obj_t core =
           hwloc_get_obj_inside_cpuset_by_type( s_hwloc_topology ,
-                                               root->allowed_cpuset ,
+                                               root->cpuset ,
                                                HWLOC_OBJ_CORE , j );
 
         // If process' cpuset intersects core's cpuset then process can access this core.
@@ -438,13 +438,13 @@ Sentinel::Sentinel()
         // This assumes that it would be performance-detrimental
         // to spawn more than one MPI process per core and use nested threading.
 
-        if ( hwloc_bitmap_intersects( s_process_binding , core->allowed_cpuset ) ) {
+        if ( hwloc_bitmap_intersects( s_process_binding , core->cpuset ) ) {
 
           ++core_count ;
 
           const unsigned pu_count =
             hwloc_get_nbobjs_inside_cpuset_by_type( s_hwloc_topology ,
-                                                    core->allowed_cpuset ,
+                                                    core->cpuset ,
                                                     HWLOC_OBJ_PU );
 
           if ( pu_per_core == 0 ) pu_per_core = pu_count ;
@@ -480,11 +480,11 @@ Sentinel::Sentinel()
 
     const hwloc_obj_t root = hwloc_get_obj_by_type( s_hwloc_topology , root_type , root_rank );
 
-    if ( hwloc_bitmap_intersects( s_process_binding , root->allowed_cpuset ) ) {
+    if ( hwloc_bitmap_intersects( s_process_binding , root->cpuset ) ) {
 
       const unsigned max_core =
         hwloc_get_nbobjs_inside_cpuset_by_type( s_hwloc_topology ,
-                                                root->allowed_cpuset ,
+                                                root->cpuset ,
                                                 HWLOC_OBJ_CORE );
 
       unsigned core_count = 0 ;
@@ -493,12 +493,12 @@ Sentinel::Sentinel()
 
         const hwloc_obj_t core =
           hwloc_get_obj_inside_cpuset_by_type( s_hwloc_topology ,
-                                               root->allowed_cpuset ,
+                                               root->cpuset ,
                                                HWLOC_OBJ_CORE , j );
 
-        if ( hwloc_bitmap_intersects( s_process_binding , core->allowed_cpuset ) ) {
+        if ( hwloc_bitmap_intersects( s_process_binding , core->cpuset ) ) {
 
-          s_core[ core_count + core_per_root * i ] = core->allowed_cpuset ;
+          s_core[ core_count + core_per_root * i ] = core->cpuset ;
 
           ++core_count ;
         }
diff --git a/lib/kokkos/core/src/kokkos.pc.in b/lib/kokkos/core/src/kokkos.pc.in
new file mode 100644
index 0000000000..f27b57c960
--- /dev/null
+++ b/lib/kokkos/core/src/kokkos.pc.in
@@ -0,0 +1,71 @@
+# 
+#                        Kokkos v. 2.0
+#              Copyright (2014) Sandia Corporation
+# 
+# Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+# the U.S. Government retains certain rights in this software.
+# 
+# Redistribution and use in source and binary forms, with or without
+# modification, are permitted provided that the following conditions are
+# met:
+#
+# 1. Redistributions of source code must retain the above copyright
+# notice, this list of conditions and the following disclaimer.
+#
+# 2. Redistributions in binary form must reproduce the above copyright
+# notice, this list of conditions and the following disclaimer in the
+# documentation and/or other materials provided with the distribution.
+#
+# 3. Neither the name of the Corporation nor the names of the
+# contributors may be used to endorse or promote products derived from
+# this software without specific prior written permission.
+#
+# THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+# EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+# PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+# CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+# EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+# PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+# PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+# LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+# NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+#
+# Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+# 
+
+# Add the directory where kokkos.pc got installed to your PKG_CONFIG_PATH
+
+# Use this on commandline with:
+# c++ `pkg-config --cflags --libs kokkos` -o myapp myapp.cpp
+
+# Use this in a Makefile:
+# myapp: myapp.cpp
+#       $(CC) `pkg-config --cflags --libs kokkos` -o $@ $<
+
+# Use this in autotools:
+# configure.ac:
+# PKG_CHECK_MODULES([KOKKOS], [kokkos])
+# Makefile.am:
+# myapp_CFLAGS = $(KOKKOS_CFLAGS)
+# myapp_LDADD = $(KOKKOS_LIBS)
+
+# Use this in CMake:
+# CMakeLists.txt:
+# find_package(PkgConfig)
+# pkg_check_modules(KOKKOS IMPORTED_TARGET kokkos)
+# target_link_libraries(<lib> PkgConfig::KOKKOS)
+
+prefix=@CMAKE_INSTALL_PREFIX@
+libdir=${prefix}/lib
+includedir=${prefix}/include
+
+Name: kokkos
+Description: Kokkos C++ Performance Portability Programming EcoSystem
+URL: https://github.com/kokkos
+Version:
+Requires:
+Libs: -L${libdir} -lkokkos @KOKKOS_EXTRA_LIBS_LIST@ @KOKKOS_LINK_FLAGS@
+Libs.private: -lm
+Cflags: -I${includedir} @KOKKOS_CXXFLAGS@
diff --git a/lib/kokkos/core/unit_test/CMakeLists.txt b/lib/kokkos/core/unit_test/CMakeLists.txt
index 651abf04dd..fad4e1d45e 100644
--- a/lib/kokkos/core/unit_test/CMakeLists.txt
+++ b/lib/kokkos/core/unit_test/CMakeLists.txt
@@ -284,6 +284,7 @@ IF(Kokkos_ENABLE_Cuda)
     SOURCES
       UnitTestMainInit.cpp
       cuda/TestCudaHostPinned_SharedAlloc.cpp
+      cuda/TestCudaHostPinned_ViewCopy.cpp
       cuda/TestCudaHostPinned_ViewAPI_a.cpp
       cuda/TestCudaHostPinned_ViewAPI_b.cpp
       cuda/TestCudaHostPinned_ViewAPI_c.cpp
@@ -293,6 +294,7 @@ IF(Kokkos_ENABLE_Cuda)
       cuda/TestCudaHostPinned_ViewMapping_b.cpp
       cuda/TestCudaHostPinned_ViewMapping_subview.cpp
       cuda/TestCudaUVM_SharedAlloc.cpp
+      cuda/TestCudaUVM_ViewCopy.cpp
       cuda/TestCudaUVM_ViewAPI_a.cpp
       cuda/TestCudaUVM_ViewAPI_b.cpp
       cuda/TestCudaUVM_ViewAPI_c.cpp
diff --git a/lib/kokkos/core/unit_test/Makefile b/lib/kokkos/core/unit_test/Makefile
index b50222e376..72832271c8 100644
--- a/lib/kokkos/core/unit_test/Makefile
+++ b/lib/kokkos/core/unit_test/Makefile
@@ -43,12 +43,12 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
 	OBJ_CUDA += TestCuda_SharedAlloc.o TestCudaUVM_SharedAlloc.o TestCudaHostPinned_SharedAlloc.o
 	OBJ_CUDA += TestCuda_RangePolicy.o
 	OBJ_CUDA += TestCuda_ViewAPI_a.o TestCuda_ViewAPI_b.o TestCuda_ViewAPI_c.o TestCuda_ViewAPI_d.o TestCuda_ViewAPI_e.o
-	OBJ_CUDA += TestCuda_ViewMapping_a.o TestCuda_ViewMapping_b.o TestCuda_ViewMapping_subview.o
-	OBJ_CUDA += TestCudaUVM_ViewAPI_a.o TestCudaUVM_ViewAPI_b.o TestCudaUVM_ViewAPI_c.o TestCudaUVM_ViewAPI_d.o TestCudaUVM_ViewAPI_e.o
+	OBJ_CUDA += TestCuda_ViewMapping_a.o TestCuda_ViewMapping_b.o TestCuda_ViewMapping_subview.o TestCuda_ViewLayoutStrideAssignment.o
+	OBJ_CUDA += TestCudaUVM_ViewCopy.o TestCudaUVM_ViewAPI_a.o TestCudaUVM_ViewAPI_b.o TestCudaUVM_ViewAPI_c.o TestCudaUVM_ViewAPI_d.o TestCudaUVM_ViewAPI_e.o
 	OBJ_CUDA += TestCudaUVM_ViewMapping_a.o TestCudaUVM_ViewMapping_b.o TestCudaUVM_ViewMapping_subview.o
-	OBJ_CUDA += TestCudaHostPinned_ViewAPI_a.o TestCudaHostPinned_ViewAPI_b.o TestCudaHostPinned_ViewAPI_c.o TestCudaHostPinned_ViewAPI_d.o TestCudaHostPinned_ViewAPI_e.o
+	OBJ_CUDA += TestCudaHostPinned_ViewCopy.o TestCudaHostPinned_ViewAPI_a.o TestCudaHostPinned_ViewAPI_b.o TestCudaHostPinned_ViewAPI_c.o TestCudaHostPinned_ViewAPI_d.o TestCudaHostPinned_ViewAPI_e.o
 	OBJ_CUDA += TestCudaHostPinned_ViewMapping_a.o TestCudaHostPinned_ViewMapping_b.o TestCudaHostPinned_ViewMapping_subview.o
-        OBJ_CUDA += TestCuda_View_64bit.o
+	OBJ_CUDA += TestCuda_View_64bit.o
 	OBJ_CUDA += TestCuda_ViewOfClass.o
 	OBJ_CUDA += TestCuda_SubView_a.o TestCuda_SubView_b.o
 	OBJ_CUDA += TestCuda_SubView_c01.o TestCuda_SubView_c02.o TestCuda_SubView_c03.o
@@ -57,13 +57,14 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1)
 	OBJ_CUDA += TestCuda_SubView_c10.o TestCuda_SubView_c11.o TestCuda_SubView_c12.o
 	OBJ_CUDA += TestCuda_SubView_c13.o
 	OBJ_CUDA += TestCuda_Reductions.o TestCuda_Scan.o
+	OBJ_CUDA += TestCuda_Reductions_DeviceView.o
 	OBJ_CUDA += TestCuda_Reducers_a.o TestCuda_Reducers_b.o TestCuda_Reducers_c.o TestCuda_Reducers_d.o
 	OBJ_CUDA += TestCuda_Complex.o
 	OBJ_CUDA += TestCuda_AtomicOperations_int.o TestCuda_AtomicOperations_unsignedint.o TestCuda_AtomicOperations_longint.o 
 	OBJ_CUDA += TestCuda_AtomicOperations_unsignedlongint.o TestCuda_AtomicOperations_longlongint.o TestCuda_AtomicOperations_double.o TestCuda_AtomicOperations_float.o
 	OBJ_CUDA += TestCuda_AtomicViews.o TestCuda_Atomics.o
 	OBJ_CUDA += TestCuda_Team.o TestCuda_TeamScratch.o
-	OBJ_CUDA += TestCuda_TeamReductionScan.o
+	OBJ_CUDA += TestCuda_TeamReductionScan.o TestCuda_TeamTeamSize.o
 	OBJ_CUDA += TestCuda_Other.o
 	OBJ_CUDA += TestCuda_MDRange_a.o TestCuda_MDRange_b.o TestCuda_MDRange_c.o TestCuda_MDRange_d.o TestCuda_MDRange_e.o
 	OBJ_CUDA += TestCuda_Crs.o
@@ -84,13 +85,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
 	OBJ_ROCM += TestROCm_AtomicOperations_int.o TestROCm_AtomicOperations_unsignedint.o TestROCm_AtomicOperations_longint.o 
 	OBJ_ROCM += TestROCm_AtomicOperations_unsignedlongint.o TestROCm_AtomicOperations_longlongint.o TestROCm_AtomicOperations_double.o TestROCm_AtomicOperations_float.o
         OBJ_ROCM += TestROCm_Atomics.o
-# complex failing
         OBJ_ROCM += TestROCm_AtomicViews.o
         OBJ_ROCM += TestROCm_Other.o
-# Compiles but runtime Segfaults:
-#        OBJ_ROCM += TestROCm_MDRange_a.o TestROCm_MDRange_b.o TestROCm_MDRange_c.o TestROCm_MDRange_d.o TestROCm_MDRange_e.o
-# rocm.memory_pool
-	OBJ_ROCM += TestROCm_Reductions.o 
+        OBJ_ROCM += TestROCm_MDRange_a.o TestROCm_MDRange_b.o TestROCm_MDRange_c.o TestROCm_MDRange_d.o TestROCm_MDRange_e.o
+        OBJ_ROCM += TestROCm_MDRangeReduce_a.o TestROCm_MDRangeReduce_b.o TestROCm_MDRangeReduce_c.o TestROCm_MDRangeReduce_d.o TestROCm_MDRangeReduce_e.o
+	OBJ_ROCM += TestROCm_Reductions.o
 	OBJ_ROCM += TestROCm_Reducers_a.o TestROCm_Reducers_b.o TestROCm_Reducers_c.o TestROCm_Reducers_d.o
         OBJ_ROCM += TestROCm_Scan.o
         OBJ_ROCM += TestROCm_SharedAlloc.o
@@ -108,22 +107,22 @@ ifeq ($(KOKKOS_INTERNAL_USE_ROCM), 1)
         OBJ_ROCM += TestROCm_SubView_c10.o
         OBJ_ROCM += TestROCm_SubView_c11.o
         OBJ_ROCM += TestROCm_SubView_c12.o
+        OBJ_ROCM += TestROCm_SubView_c13.o
         OBJ_ROCM += TestROCm_Team.o
-# compile fails / compiler segfaults
-        #OBJ_ROCM += TestROCm_TeamReductionScan.o
-# compile fails
-        OBJ_ROCM += TestROCm_TeamScratch.o
+        OBJ_ROCM += TestROCm_TeamReductionScan.o
+        OBJ_ROCM += TestROCm_TeamScratch.o TestROCm_TeamTeamSize.o
         OBJ_ROCM += TestROCm_ViewAPI_a.o TestROCm_ViewAPI_b.o TestROCm_ViewAPI_c.o TestROCm_ViewAPI_d.o TestROCm_ViewAPI_e.o
         OBJ_ROCM += TestROCm_ViewMapping_a.o
         OBJ_ROCM += TestROCm_ViewMapping_b.o
         OBJ_ROCM += TestROCm_ViewMapping_subview.o
-        OBJ_ROCM += TestROCmHostPinned_ViewAPI_a.o TestROCmHostPinned_ViewAPI_b.o TestROCmHostPinned_ViewAPI_c.o TestROCmHostPinned_ViewAPI_d.o TestROCmHostPinned_ViewAPI_e.o
+        OBJ_ROCM += TestROCmHostPinned_ViewCopy.o TestROCmHostPinned_ViewAPI_a.o TestROCmHostPinned_ViewAPI_b.o TestROCmHostPinned_ViewAPI_c.o TestROCmHostPinned_ViewAPI_d.o TestROCmHostPinned_ViewAPI_e.o
         OBJ_ROCM += TestROCmHostPinned_View_64bit.o
-	    OBJ_ROCM += TestROCmHostPinned_ViewMapping_a.o 
-	    OBJ_ROCM += TestROCmHostPinned_ViewMapping_b.o 
-	    OBJ_ROCM += TestROCmHostPinned_ViewMapping_subview.o
+        OBJ_ROCM += TestROCmHostPinned_ViewMapping_a.o 
+        OBJ_ROCM += TestROCmHostPinned_ViewMapping_b.o 
+        OBJ_ROCM += TestROCmHostPinned_ViewMapping_subview.o
         OBJ_ROCM += TestROCm_ViewOfClass.o
-	    OBJ_ROCM += TestROCm_Spaces.o
+        OBJ_ROCM += TestROCm_Spaces.o
+        OBJ_ROCM += TestROCm_Crs.o
      
         TARGETS += KokkosCore_UnitTest_ROCm
         TEST_TARGETS += test-rocm
@@ -137,7 +136,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_PTHREADS), 1)
 	OBJ_THREADS += TestThreads_RangePolicy.o
     OBJ_THREADS += TestThreads_View_64bit.o
 	OBJ_THREADS += TestThreads_ViewAPI_a.o TestThreads_ViewAPI_b.o TestThreads_ViewAPI_c.o TestThreads_ViewAPI_d.o TestThreads_ViewAPI_e.o
-	OBJ_THREADS += TestThreads_ViewMapping_a.o TestThreads_ViewMapping_b.o TestThreads_ViewMapping_subview.o
+	OBJ_THREADS += TestThreads_ViewMapping_a.o TestThreads_ViewMapping_b.o TestThreads_ViewMapping_subview.o TestThreads_ViewLayoutStrideAssignment.o
 	OBJ_THREADS += TestThreads_ViewOfClass.o
 	OBJ_THREADS += TestThreads_SubView_a.o TestThreads_SubView_b.o
 	OBJ_THREADS += TestThreads_SubView_c01.o TestThreads_SubView_c02.o TestThreads_SubView_c03.o
@@ -145,12 +144,13 @@ ifeq ($(KOKKOS_INTERNAL_USE_PTHREADS), 1)
 	OBJ_THREADS += TestThreads_SubView_c07.o TestThreads_SubView_c08.o TestThreads_SubView_c09.o
 	OBJ_THREADS += TestThreads_SubView_c10.o TestThreads_SubView_c11.o TestThreads_SubView_c12.o
 	OBJ_THREADS += TestThreads_Reductions.o TestThreads_Scan.o
+	OBJ_THREADS += TestThreads_Reductions_DeviceView.o
 	OBJ_THREADS += TestThreads_Reducers_a.o TestThreads_Reducers_b.o TestThreads_Reducers_c.o TestThreads_Reducers_d.o
 	OBJ_THREADS += TestThreads_Complex.o
 	OBJ_THREADS += TestThreads_AtomicOperations_int.o TestThreads_AtomicOperations_unsignedint.o TestThreads_AtomicOperations_longint.o 
 	OBJ_THREADS += TestThreads_AtomicOperations_unsignedlongint.o TestThreads_AtomicOperations_longlongint.o TestThreads_AtomicOperations_double.o TestThreads_AtomicOperations_float.o
 	OBJ_THREADS += TestThreads_AtomicViews.o TestThreads_Atomics.o
-	OBJ_THREADS += TestThreads_Team.o TestThreads_TeamScratch.o
+	OBJ_THREADS += TestThreads_Team.o TestThreads_TeamScratch.o TestThreads_TeamTeamSize.o
 	OBJ_THREADS += TestThreads_TeamReductionScan.o
 	OBJ_THREADS += TestThreads_Other.o
 	OBJ_THREADS += TestThreads_MDRange_a.o TestThreads_MDRange_b.o TestThreads_MDRange_c.o TestThreads_MDRange_d.o TestThreads_MDRange_e.o
@@ -167,7 +167,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	OBJ_OPENMP += TestOpenMP_RangePolicy.o
     OBJ_OPENMP += TestOpenMP_View_64bit.o
 	OBJ_OPENMP += TestOpenMP_ViewAPI_a.o TestOpenMP_ViewAPI_b.o TestOpenMP_ViewAPI_c.o TestOpenMP_ViewAPI_d.o TestOpenMP_ViewAPI_e.o
-	OBJ_OPENMP += TestOpenMP_ViewMapping_a.o TestOpenMP_ViewMapping_b.o TestOpenMP_ViewMapping_subview.o
+	OBJ_OPENMP += TestOpenMP_ViewMapping_a.o TestOpenMP_ViewMapping_b.o TestOpenMP_ViewMapping_subview.o TestOpenMP_ViewLayoutStrideAssignment.o
 	OBJ_OPENMP += TestOpenMP_ViewOfClass.o
 	OBJ_OPENMP += TestOpenMP_SubView_a.o TestOpenMP_SubView_b.o
 	OBJ_OPENMP += TestOpenMP_SubView_c01.o TestOpenMP_SubView_c02.o TestOpenMP_SubView_c03.o
@@ -176,13 +176,14 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1)
 	OBJ_OPENMP += TestOpenMP_SubView_c10.o TestOpenMP_SubView_c11.o TestOpenMP_SubView_c12.o
 	OBJ_OPENMP += TestOpenMP_SubView_c13.o
 	OBJ_OPENMP += TestOpenMP_Reductions.o TestOpenMP_Scan.o
+	OBJ_OPENMP += TestOpenMP_Reductions_DeviceView.o
 	OBJ_OPENMP += TestOpenMP_Reducers_a.o TestOpenMP_Reducers_b.o TestOpenMP_Reducers_c.o TestOpenMP_Reducers_d.o
 	OBJ_OPENMP += TestOpenMP_Complex.o
 	OBJ_OPENMP += TestOpenMP_AtomicOperations_int.o TestOpenMP_AtomicOperations_unsignedint.o TestOpenMP_AtomicOperations_longint.o 
 	OBJ_OPENMP += TestOpenMP_AtomicOperations_unsignedlongint.o TestOpenMP_AtomicOperations_longlongint.o TestOpenMP_AtomicOperations_double.o TestOpenMP_AtomicOperations_float.o
 	OBJ_OPENMP += TestOpenMP_AtomicViews.o TestOpenMP_Atomics.o
 	OBJ_OPENMP += TestOpenMP_Team.o TestOpenMP_TeamScratch.o
-	OBJ_OPENMP += TestOpenMP_TeamReductionScan.o
+	OBJ_OPENMP += TestOpenMP_TeamReductionScan.o TestOpenMP_TeamTeamSize.o
 	OBJ_OPENMP += TestOpenMP_Other.o
 	OBJ_OPENMP += TestOpenMP_MDRange_a.o TestOpenMP_MDRange_b.o TestOpenMP_MDRange_c.o TestOpenMP_MDRange_d.o TestOpenMP_MDRange_e.o
 	OBJ_OPENMP += TestOpenMP_Crs.o
@@ -256,7 +257,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
         OBJ_SERIAL += TestSerial_RangePolicy.o
         OBJ_SERIAL += TestSerial_View_64bit.o
         OBJ_SERIAL += TestSerial_ViewAPI_a.o TestSerial_ViewAPI_b.o TestSerial_ViewAPI_c.o TestSerial_ViewAPI_d.o TestSerial_ViewAPI_e.o
-        OBJ_SERIAL += TestSerial_ViewMapping_a.o TestSerial_ViewMapping_b.o TestSerial_ViewMapping_subview.o
+        OBJ_SERIAL += TestSerial_ViewMapping_a.o TestSerial_ViewMapping_b.o TestSerial_ViewMapping_subview.o TestSerial_ViewLayoutStrideAssignment.o
         OBJ_SERIAL += TestSerial_ViewOfClass.o
         OBJ_SERIAL += TestSerial_SubView_a.o TestSerial_SubView_b.o
         OBJ_SERIAL += TestSerial_SubView_c01.o TestSerial_SubView_c02.o TestSerial_SubView_c03.o
@@ -265,13 +266,14 @@ ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1)
         OBJ_SERIAL += TestSerial_SubView_c10.o TestSerial_SubView_c11.o TestSerial_SubView_c12.o
         OBJ_SERIAL += TestSerial_SubView_c13.o
         OBJ_SERIAL += TestSerial_Reductions.o TestSerial_Scan.o
+	OBJ_SERIAL += TestSerial_Reductions_DeviceView.o
     	OBJ_SERIAL += TestSerial_Reducers_a.o TestSerial_Reducers_b.o TestSerial_Reducers_c.o TestSerial_Reducers_d.o
         OBJ_SERIAL += TestSerial_Complex.o
 	    OBJ_SERIAL += TestSerial_AtomicOperations_int.o TestSerial_AtomicOperations_unsignedint.o TestSerial_AtomicOperations_longint.o 
 	    OBJ_SERIAL += TestSerial_AtomicOperations_unsignedlongint.o TestSerial_AtomicOperations_longlongint.o TestSerial_AtomicOperations_double.o TestSerial_AtomicOperations_float.o
 	    OBJ_SERIAL += TestSerial_AtomicViews.o TestSerial_Atomics.o
         OBJ_SERIAL += TestSerial_Team.o TestSerial_TeamScratch.o
-        OBJ_SERIAL += TestSerial_TeamReductionScan.o
+        OBJ_SERIAL += TestSerial_TeamReductionScan.o TestSerial_TeamTeamSize.o
         OBJ_SERIAL += TestSerial_Other.o
         #HCC_WORKAROUND
         ifneq ($(KOKKOS_INTERNAL_COMPILER_HCC), 1)
diff --git a/lib/kokkos/core/unit_test/TestAtomic.hpp b/lib/kokkos/core/unit_test/TestAtomic.hpp
index cf4bae5844..58b6325115 100644
--- a/lib/kokkos/core/unit_test/TestAtomic.hpp
+++ b/lib/kokkos/core/unit_test/TestAtomic.hpp
@@ -224,7 +224,8 @@ T AddLoop( int loop ) {
 
   struct AddFunctorReduce< T, execution_space > f_add_red;
   f_add_red.data = data;
-  Kokkos::parallel_reduce( loop, f_add_red );
+  int dummy_result;
+  Kokkos::parallel_reduce( loop, f_add_red , dummy_result );
   execution_space::fence();
 
   return val;
@@ -309,7 +310,8 @@ T CASLoop( int loop ) {
 
   struct CASFunctorReduce< T, execution_space > f_cas_red;
   f_cas_red.data = data;
-  Kokkos::parallel_reduce( loop, f_cas_red );
+  int dummy_result;
+  Kokkos::parallel_reduce( loop, f_cas_red , dummy_result );
   execution_space::fence();
 
   return val;
@@ -401,7 +403,8 @@ T ExchLoop( int loop ) {
   struct ExchFunctorReduce< T, execution_space > f_exch_red;
   f_exch_red.data = data;
   f_exch_red.data2 = data2;
-  Kokkos::parallel_reduce( loop, f_exch_red );
+  int dummy_result;
+  Kokkos::parallel_reduce( loop, f_exch_red , dummy_result );
   execution_space::fence();
 
   return val;
@@ -529,7 +532,7 @@ TEST_F( TEST_CATEGORY, atomics )
   ASSERT_TRUE( ( TestAtomic::Loop< float, TEST_EXECSPACE >( 100, 3 ) ) );
 
 #ifndef KOKKOS_ENABLE_OPENMPTARGET
-#ifndef KOKKOS_ENABLE_ROCM
+#ifndef KOKKOS_ENABLE_ROCM // ROCM doesn't yet support atomics for >64bit types
   ASSERT_TRUE( ( TestAtomic::Loop< Kokkos::complex<double>, TEST_EXECSPACE >( 1, 1 ) ) );
   ASSERT_TRUE( ( TestAtomic::Loop< Kokkos::complex<double>, TEST_EXECSPACE >( 1, 2 ) ) );
   ASSERT_TRUE( ( TestAtomic::Loop< Kokkos::complex<double>, TEST_EXECSPACE >( 1, 3 ) ) );
diff --git a/lib/kokkos/core/unit_test/TestCXX11.hpp b/lib/kokkos/core/unit_test/TestCXX11.hpp
index b6c34d2d4b..8a158e2667 100644
--- a/lib/kokkos/core/unit_test/TestCXX11.hpp
+++ b/lib/kokkos/core/unit_test/TestCXX11.hpp
@@ -216,7 +216,7 @@ template< class DeviceType, bool PWRTest >
 double ReduceTestFunctor() {
   typedef Kokkos::TeamPolicy< DeviceType > policy_type;
   typedef Kokkos::View< double**, DeviceType > view_type;
-  typedef Kokkos::View< double, typename view_type::host_mirror_space, Kokkos::MemoryUnmanaged > unmanaged_result;
+  typedef Kokkos::View< double, Kokkos::HostSpace, Kokkos::MemoryUnmanaged > unmanaged_result;
 
   view_type a( "A", 100, 5 );
   typename view_type::HostMirror h_a = Kokkos::create_mirror_view( a );
@@ -244,7 +244,7 @@ template< class DeviceType, bool PWRTest >
 double ReduceTestLambda() {
   typedef Kokkos::TeamPolicy< DeviceType > policy_type;
   typedef Kokkos::View< double**, DeviceType > view_type;
-  typedef Kokkos::View< double, typename view_type::host_mirror_space, Kokkos::MemoryUnmanaged > unmanaged_result;
+  typedef Kokkos::View< double, Kokkos::HostSpace, Kokkos::MemoryUnmanaged > unmanaged_result;
 
   view_type a( "A", 100, 5 );
   typename view_type::HostMirror h_a = Kokkos::create_mirror_view( a );
@@ -327,12 +327,18 @@ bool Test( int test ) {
                            };
   bool passed = true;
 
-  if ( res_functor != res_lambda ) {
+  auto a = res_functor;
+  auto b = res_lambda;
+  // use a tolerant comparison because functors and lambdas vectorize differently
+  // https://github.com/trilinos/Trilinos/issues/3233
+  auto rel_err = (std::abs(b - a) / std::max(std::abs(a), std::abs(b)));
+  auto tol = 1e-14;
+  if (rel_err > tol) {
     passed = false;
 
     std::cout << "CXX11 ( test = '"
-              << testnames[test] << "' FAILED : "
-              << res_functor << " != " << res_lambda
+              << testnames[test] << "' FAILED : relative error "
+              << rel_err << " > tolerance " << tol
               << std::endl;
   }
 
diff --git a/lib/kokkos/core/unit_test/TestComplex.hpp b/lib/kokkos/core/unit_test/TestComplex.hpp
index fcaebe3c6e..f4343df0ce 100644
--- a/lib/kokkos/core/unit_test/TestComplex.hpp
+++ b/lib/kokkos/core/unit_test/TestComplex.hpp
@@ -71,7 +71,7 @@ struct TestComplexConstruction {
     ASSERT_FLOAT_EQ(h_results(7).real(),7.5);  ASSERT_FLOAT_EQ(h_results(7).imag(),0.0);
     ASSERT_FLOAT_EQ(h_results(8).real(),double(8));  ASSERT_FLOAT_EQ(h_results(8).imag(),0.0);
 
-#ifndef KOKKOS_ENABLE_ROCM
+#ifndef KOKKOS_ENABLE_ROCM // Copy construction conversion between Kokkos::complex and std::complex doesn't compile
     Kokkos::complex<double> a(1.5,2.5),b(3.25,5.25),r_kk;
     std::complex<double> sa(a),sb(3.25,5.25),r;
     r = a; r_kk = a;         ASSERT_FLOAT_EQ(r.real(),r_kk.real()); ASSERT_FLOAT_EQ(r.imag(),r_kk.imag());
diff --git a/lib/kokkos/core/unit_test/TestMDRange.hpp b/lib/kokkos/core/unit_test/TestMDRange.hpp
index 9298983aa8..88b3a9b0c6 100644
--- a/lib/kokkos/core/unit_test/TestMDRange.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange.hpp
@@ -318,6 +318,24 @@ struct TestMDRange_2D {
 
       ASSERT_EQ( sum, 2 * (N0 - s0) * (N1 - s1) );
     }
+    // Test with reducers - scalar + label
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<2>, Kokkos::IndexType<int> > range_type;
+      int s0 = 1;
+      int s1 = 1;
+      range_type range( {{ s0, s1 }}, {{ N0, N1 }}, {{ 3, 3 }} );
+
+      TestMDRange_2D functor( N0, N1 );
+
+      parallel_for( "rank2-parfor-label", range, functor );
+
+      value_type sum = 0.0;
+      Kokkos::Sum< value_type > reducer_scalar( sum );
+
+      parallel_reduce( "rank2-reducer-label", range, functor, reducer_scalar );
+
+      ASSERT_EQ( sum, 2 * (N0 - s0) * (N1 - s1) );
+    }
     // Test with reducers - scalar view
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<2>, Kokkos::IndexType<int> > range_type;
@@ -337,7 +355,31 @@ struct TestMDRange_2D {
 
       ASSERT_EQ( sum, 2 * N0 * N1 );
     }
+    // Test Min reducer with lambda
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<2>, Kokkos::IndexType<int> > range_type;
+      range_type range( {{ 1, 1 }}, {{ N0, N1 }}, {{ 3, 3 }} );
 
+      Kokkos::View< double**, ExecSpace > v_in("v_in", N0, N1 );
+
+      parallel_for( "rank2-init-lambda", range, KOKKOS_LAMBDA ( const int i, const int j ) {
+          v_in( i , j ) = (i+1) * (j+1) ;
+        });
+
+      double min;
+      Kokkos::Min< double > reducer_scalar( min );
+
+      parallel_reduce( "rank2-min-reducer", range, KOKKOS_LAMBDA ( const int i, const int j, double& min_val ) {
+            min_val = fmin( v_in(i,j), min_val );
+          }
+        , reducer_scalar);
+
+      ASSERT_EQ( min, 4.0 );
+    }
+#endif
+#endif
     // Tagged operator test
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<2, Iterate::Default, Iterate::Default >, Kokkos::IndexType<int>, InitTag > range_type;
@@ -858,6 +900,22 @@ struct TestMDRange_3D {
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 );
     }
+    // Test with reducers - scalar + label
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<3>, Kokkos::IndexType<int> > range_type;
+      range_type range( {{ 0, 0, 0 }}, {{ N0, N1, N2 }}, {{ 3, 3, 3 }} );
+
+      TestMDRange_3D functor( N0, N1, N2 );
+
+      parallel_for( "rank3-parfor-label", range, functor );
+
+      value_type sum = 0.0;
+      Kokkos::Sum< value_type > reducer_scalar( sum );
+
+      parallel_reduce( "rank3-reducer-label", range, functor, reducer_scalar );
+
+      ASSERT_EQ( sum, 2 * N0 * N1 * N2 );
+    }
     // Test with reducers - scalar view
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<3>, Kokkos::IndexType<int> > range_type;
@@ -877,6 +935,31 @@ struct TestMDRange_3D {
 
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 );
     }
+    // Test Min reducer with lambda
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<3>, Kokkos::IndexType<int> > range_type;
+
+      range_type range( {{ 1, 1, 1 }}, {{ N0, N1, N2 }}, {{ 3, 3, 3 }} );
+
+      Kokkos::View< double***, ExecSpace > v_in("v_in", N0, N1, N2 );
+
+      parallel_for( "rank3-init-lambda", range, KOKKOS_LAMBDA ( const int i, const int j, const int k ) {
+          v_in( i, j, k ) = (i+1) * (j+1) * (k+1) ;
+        });
+
+      double min;
+
+      parallel_reduce("rank3-min-reducer", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, double& min_val ) {
+            min_val = (v_in(i,j,k) < min_val) ? v_in(i,j,k) : min_val;
+          }
+        , Kokkos::Min<double>(min) );
+
+      ASSERT_EQ( min, 8.0 );
+    }
+#endif
+#endif
 
     // Tagged operator test
     {
@@ -1382,6 +1465,23 @@ struct TestMDRange_4D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 );
     }
 
+    // Test with reducers - scalar + label
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<4>, Kokkos::IndexType<int> > range_type;
+      range_type range( {{ 0, 0, 0, 0 }}, {{ N0, N1, N2, N3 }}, {{ 3, 3, 3, 3 }} );
+
+      TestMDRange_4D functor( N0, N1, N2, N3 );
+
+      parallel_for( "rank4-parfor-label", range, functor );
+
+      value_type sum = 0.0;
+      Kokkos::Sum< value_type > reducer_scalar( sum );
+
+      parallel_reduce( "rank4-reducer-label", range, functor, reducer_scalar );
+
+      ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 );
+    }
+
     // Test with reducers - scalar view
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<4>, Kokkos::IndexType<int> > range_type;
@@ -1402,6 +1502,32 @@ struct TestMDRange_4D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 );
     }
 
+    // Test Min reducer with lambda
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<4>, Kokkos::IndexType<int> > range_type;
+
+      range_type range( {{ 1, 1, 1, 1 }}, {{ N0, N1, N2, N3 }}, {{ 3, 3, 3, 3 }} );
+
+      Kokkos::View< double****, ExecSpace > v_in("v_in", N0, N1, N2, N3 );
+
+      parallel_for( "rank4-init-lambda", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l ) {
+          v_in( i, j, k, l ) = (i+1) * (j+1) * (k+1) * (l+1) ;
+        });
+
+      double min;
+
+      parallel_reduce("rank4-min-reducer", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l, double& min_val ) {
+            min_val = (v_in(i,j,k,l) < min_val) ? v_in(i,j,k,l) : min_val;
+          }
+        , Kokkos::Min<double>(min) );
+
+      ASSERT_EQ( min, 16.0 );
+    }
+#endif
+#endif
+
     // Tagged operator test
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<4, Iterate::Default, Iterate::Default >, Kokkos::IndexType<int>, InitTag > range_type;
@@ -1926,6 +2052,23 @@ struct TestMDRange_5D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 );
     }
 
+    // Test with reducers - scalar + label
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<5>, Kokkos::IndexType<int> > range_type;
+      range_type range( {{ 0, 0, 0, 0, 0 }}, {{ N0, N1, N2, N3, N4 }}, {{ 3, 3, 3, 3, 3 }} );
+
+      TestMDRange_5D functor( N0, N1, N2, N3, N4 );
+
+      parallel_for( "rank5-parfor-label", range, functor );
+
+      value_type sum = 0.0;
+      Kokkos::Sum< value_type > reducer_scalar( sum );
+
+      parallel_reduce( "rank5-reducer-label", range, functor, reducer_scalar );
+
+      ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 );
+    }
+
     // Test with reducers - scalar view
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<5>, Kokkos::IndexType<int> > range_type;
@@ -1946,6 +2089,32 @@ struct TestMDRange_5D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 );
     }
 
+    // Test Min reducer with lambda
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<5>, Kokkos::IndexType<int> > range_type;
+
+      range_type range( {{ 1, 1, 1, 1, 1 }}, {{ N0, N1, N2, N3, N4 }}, {{ 3, 3, 3, 2, 2 }} );
+
+      Kokkos::View< double*****, ExecSpace > v_in("v_in", N0, N1, N2, N3, N4 );
+
+      parallel_for( "rank5-init-lambda", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l, const int m ) {
+          v_in( i, j, k, l, m ) = (i+1) * (j+1) * (k+1) * (l+1) * (m+1) ;
+        });
+
+      double min;
+
+      parallel_reduce("rank5-min-reducer", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l, const int m, double& min_val ) {
+            min_val = (v_in(i,j,k,l,m) < min_val) ? v_in(i,j,k,l,m) : min_val;
+          }
+        , Kokkos::Min<double>(min) );
+
+      ASSERT_EQ( min, 32.0 );
+    }
+#endif
+#endif
+
     // Tagged operator test
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<5, Iterate::Default, Iterate::Default >, Kokkos::IndexType<int>, InitTag > range_type;
@@ -2401,6 +2570,23 @@ struct TestMDRange_6D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 * N5 );
     }
 
+    // Test with reducers - scalar + label
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<6>, Kokkos::IndexType<int> > range_type;
+      range_type range( {{ 0, 0, 0, 0, 0, 0 }}, {{ N0, N1, N2, N3, N4, N5 }}, {{ 3, 3, 3, 3, 3, 2 }} );
+
+      TestMDRange_6D functor( N0, N1, N2, N3, N4, N5 );
+
+      parallel_for( "rank6-parfor-label", range, functor );
+
+      value_type sum = 0.0;
+      Kokkos::Sum< value_type > reducer_scalar( sum );
+
+      parallel_reduce( "rank6-reducer-label", range, functor, reducer_scalar );
+
+      ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 * N5 );
+    }
+
     // Test with reducers - scalar view
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<6>, Kokkos::IndexType<int> > range_type;
@@ -2421,6 +2607,32 @@ struct TestMDRange_6D {
       ASSERT_EQ( sum, 2 * N0 * N1 * N2 * N3 * N4 * N5 );
     }
 
+    // Test Min reducer with lambda
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    {
+      typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<6>, Kokkos::IndexType<int> > range_type;
+
+      range_type range( {{ 1, 1, 1, 1, 1, 1 }}, {{ N0, N1, N2, N3, N4, N5 }}, {{ 3, 3, 3, 2, 2, 1 }} );
+
+      Kokkos::View< double******, ExecSpace > v_in("v_in", N0, N1, N2, N3, N4, N5 );
+
+      parallel_for( "rank6-init-lambda", range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l, const int m, const int n ) {
+          v_in( i, j, k, l, m, n ) = (i+1) * (j+1) * (k+1) * (l+1) * (m+1) * (n+1) ;
+        });
+
+      double min;
+
+      parallel_reduce("rank6-min-reducer",  range, KOKKOS_LAMBDA ( const int i, const int j, const int k, const int l, const int m, const int n, double& min_val ) {
+            min_val = (v_in(i,j,k,l,m,n) < min_val) ? v_in(i,j,k,l,m,n) : min_val;
+          }
+        , Kokkos::Min<double>(min) );
+
+      ASSERT_EQ( min, 64.0 );
+    }
+#endif
+#endif
+
     // Tagged operator test
     {
       typedef typename Kokkos::MDRangePolicy< ExecSpace, Kokkos::Rank<6, Iterate::Default, Iterate::Default >, Kokkos::IndexType<int>, InitTag > range_type;
diff --git a/lib/kokkos/core/unit_test/TestMDRange_a.hpp b/lib/kokkos/core/unit_test/TestMDRange_a.hpp
index 5de5225eb8..308b3a3029 100644
--- a/lib/kokkos/core/unit_test/TestMDRange_a.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange_a.hpp
@@ -44,8 +44,12 @@
 #include<TestMDRange.hpp>
 
 namespace Test {
+
 TEST_F( TEST_CATEGORY , mdrange_5d ) {
+#if !defined ( KOKKOS_ENABLE_ROCM ) // MDRange Reduce explicitly handled in its own cpp file
   TestMDRange_5D< TEST_EXECSPACE >::test_reduce5( 100, 10, 10, 10, 5 );
+#endif
   TestMDRange_5D< TEST_EXECSPACE >::test_for5( 100, 10, 10, 10, 5 );
 }
+
 }
diff --git a/lib/kokkos/core/unit_test/TestMDRange_b.hpp b/lib/kokkos/core/unit_test/TestMDRange_b.hpp
index 60ece56aab..e714f18395 100644
--- a/lib/kokkos/core/unit_test/TestMDRange_b.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange_b.hpp
@@ -45,10 +45,11 @@
 
 namespace Test {
 
-
 TEST_F( TEST_CATEGORY , mdrange_6d ) {
   TestMDRange_6D< TEST_EXECSPACE >::test_for6( 10, 10, 10, 10, 5, 5 );
+#if !defined( KOKKOS_ENABLE_ROCM ) // MDRange Reduce explicitly handled in its own cpp file
   TestMDRange_6D< TEST_EXECSPACE >::test_reduce6( 100, 10, 10, 10, 5, 5 );
+#endif
 }
 
 }
diff --git a/lib/kokkos/core/unit_test/TestMDRange_c.hpp b/lib/kokkos/core/unit_test/TestMDRange_c.hpp
index 029b1e2b1c..810e1d82bc 100644
--- a/lib/kokkos/core/unit_test/TestMDRange_c.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange_c.hpp
@@ -46,8 +46,10 @@
 namespace Test {
 
 TEST_F( TEST_CATEGORY , mdrange_2d) {
-  TestMDRange_2D< TEST_EXECSPACE >::test_for2( 100, 100 );
+#if !defined( KOKKOS_ENABLE_ROCM ) // MDRange Reduce explicitly handled in its own cpp file
   TestMDRange_2D< TEST_EXECSPACE >::test_reduce2( 100, 100 );
+#endif
+  TestMDRange_2D< TEST_EXECSPACE >::test_for2( 100, 100 );
 }
 
 TEST_F( TEST_CATEGORY , mdrange_array_reduce ) {
diff --git a/lib/kokkos/core/unit_test/TestMDRange_d.hpp b/lib/kokkos/core/unit_test/TestMDRange_d.hpp
index 240df9aec0..1a477a228f 100644
--- a/lib/kokkos/core/unit_test/TestMDRange_d.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange_d.hpp
@@ -44,9 +44,12 @@
 #include<TestMDRange.hpp>
 
 namespace Test {
+
 TEST_F( TEST_CATEGORY , mdrange_3d) {
   TestMDRange_3D< TEST_EXECSPACE >::test_for3( 100, 10, 100 );
+#if !defined( KOKKOS_ENABLE_ROCM ) // MDRange Reduced explicitly handled in its own cpp file
   TestMDRange_3D< TEST_EXECSPACE >::test_reduce3( 100, 10, 100 );
+#endif
 }
 
 TEST_F( TEST_CATEGORY , mdrange_neg_idx ) {
@@ -56,4 +59,5 @@ TEST_F( TEST_CATEGORY , mdrange_neg_idx ) {
   TestMDRange_5D_NegIdx< TEST_EXECSPACE >::test_5D_negidx( 128, 32, 8, 8, 4 );
   TestMDRange_6D_NegIdx< TEST_EXECSPACE >::test_6D_negidx( 128, 32, 8, 8, 4, 2 );
 }
+
 }
diff --git a/lib/kokkos/core/unit_test/TestMDRange_e.hpp b/lib/kokkos/core/unit_test/TestMDRange_e.hpp
index 8162184c9b..a626725352 100644
--- a/lib/kokkos/core/unit_test/TestMDRange_e.hpp
+++ b/lib/kokkos/core/unit_test/TestMDRange_e.hpp
@@ -44,8 +44,12 @@
 #include<TestMDRange.hpp>
 
 namespace Test {
+
 TEST_F( TEST_CATEGORY , mdrange_4d ) {
+#if !defined( KOKKOS_ENABLE_ROCM ) // MDRange Reduce explicitly handled in its own cpp file
   TestMDRange_4D< TEST_EXECSPACE >::test_reduce4( 100, 10, 10, 10 );
+#endif
   TestMDRange_4D< TEST_EXECSPACE >::test_for4( 100, 10, 10, 10 );
 }
+
 }
diff --git a/lib/kokkos/core/unit_test/TestMemoryPool.hpp b/lib/kokkos/core/unit_test/TestMemoryPool.hpp
index 9fb1d900f7..00079e02ee 100644
--- a/lib/kokkos/core/unit_test/TestMemoryPool.hpp
+++ b/lib/kokkos/core/unit_test/TestMemoryPool.hpp
@@ -626,7 +626,9 @@ TEST_F( TEST_CATEGORY, memory_pool )
   TestMemoryPool::test_host_memory_pool_stats<>();
   TestMemoryPool::test_memory_pool_v2< TEST_EXECSPACE >(false,false);
   TestMemoryPool::test_memory_pool_corners< TEST_EXECSPACE >(false,false);
+#ifdef KOKKOS_ENABLE_LARGE_MEM_TESTS
   TestMemoryPool::test_memory_pool_huge< TEST_EXECSPACE >();
+#endif
 }
 
 }
diff --git a/lib/kokkos/core/unit_test/TestReduce.hpp b/lib/kokkos/core/unit_test/TestReduce.hpp
index 5748df1f17..924d8eb45f 100644
--- a/lib/kokkos/core/unit_test/TestReduce.hpp
+++ b/lib/kokkos/core/unit_test/TestReduce.hpp
@@ -63,9 +63,11 @@ public:
 
   const size_type nwork;
 
+  KOKKOS_INLINE_FUNCTION
   ReduceFunctor( const size_type & arg_nwork )
     : nwork( arg_nwork ) {}
 
+  KOKKOS_INLINE_FUNCTION
   ReduceFunctor( const ReduceFunctor & rhs )
     : nwork( rhs.nwork ) {}
 
@@ -102,6 +104,7 @@ class ReduceFunctorFinal : public ReduceFunctor< long, DeviceType > {
 public:
   typedef typename ReduceFunctor< long, DeviceType >::value_type value_type;
 
+  KOKKOS_INLINE_FUNCTION
   ReduceFunctorFinal( const size_t n )
     : ReduceFunctor< long, DeviceType >( n ) {}
 
diff --git a/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp b/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
new file mode 100644
index 0000000000..4f65166e37
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestReduceDeviceView.hpp
@@ -0,0 +1,131 @@
+#include<Kokkos_Core.hpp>
+
+namespace Test {
+namespace {
+
+struct TestIsAsynchFunctor {
+  Kokkos::View<double,TEST_EXECSPACE> atomic_test;
+  TestIsAsynchFunctor(Kokkos::View<double,TEST_EXECSPACE> atomic_test_):atomic_test(atomic_test_){}
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()(const int) const {
+    Kokkos::atomic_add(&atomic_test(),1.0);
+  }
+};
+
+template<class PolicyType, class ReduceFunctor>
+void test_reduce_device_view(int64_t N, PolicyType policy, ReduceFunctor functor) {
+
+     using ExecSpace = TEST_EXECSPACE;
+     
+     Kokkos::View<int64_t,TEST_EXECSPACE> result("Result");
+     Kokkos::View<double,TEST_EXECSPACE> atomic_test("Atomic");
+     int64_t reducer_result, view_result, scalar_result;
+
+     
+     Kokkos::Timer timer;     
+
+     // Establish whether execspace is asynchronous
+     Kokkos::parallel_for("Test::ReduceDeviceView::TestIsAsynch",Kokkos::RangePolicy<TEST_EXECSPACE>(0,1000000),
+       TestIsAsynchFunctor(atomic_test));
+     double time0 = timer.seconds();
+     timer.reset();
+     ExecSpace::execution_space::fence();
+     double time_fence0 = timer.seconds(); 
+     Kokkos::deep_copy(result,0);
+     timer.reset();
+     bool is_async = time0<time_fence0;
+
+     // Test Reducer 
+
+     Kokkos::parallel_reduce("Test::ReduceDeviceView::TestReducer",policy, functor, Kokkos::Sum<int64_t,TEST_EXECSPACE>(result));
+     double time1 = timer.seconds();
+     // Check whether it was asyncronous
+     timer.reset();
+     ExecSpace::execution_space::fence();
+     double time_fence1 = timer.seconds();    
+     Kokkos::deep_copy(reducer_result,result);    
+     Kokkos::deep_copy(result,0);
+     ASSERT_EQ(N,reducer_result); 
+     timer.reset();
+     
+     
+     // Test View 
+     Kokkos::parallel_reduce("Test::ReduceDeviceView::TestView",policy, functor, result);
+     double time2 = timer.seconds();
+     // Check whether it was asyncronous
+     timer.reset();
+     ExecSpace::execution_space::fence();
+     double time_fence2 = timer.seconds();    
+     Kokkos::deep_copy(view_result,result);    
+     Kokkos::deep_copy(result,0);
+     ASSERT_EQ(N,view_result); 
+     timer.reset();
+     
+     
+     // Test Scalar
+     Kokkos::parallel_reduce("Test::ReduceDeviceView::TestScalar",policy, functor, scalar_result);
+     double time3 = timer.seconds();
+
+     // Check whether it was asyncronous
+     timer.reset();
+     ExecSpace::execution_space::fence();
+     double time_fence3 = timer.seconds();
+
+     ASSERT_EQ(N,scalar_result); 
+     if(is_async) {
+       ASSERT_TRUE(time1<time_fence1);
+     }
+     if(is_async) {
+       ASSERT_TRUE(time2<time_fence2);
+       ASSERT_TRUE(time3>time_fence3);
+     }
+  }
+
+struct RangePolicyFunctor {
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int, int64_t& lsum) const {
+    lsum += 1;
+  }
+};
+
+struct MDRangePolicyFunctor {
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const int, const int, const int, int64_t& lsum) const {
+    lsum += 1;
+  }
+};
+
+struct TeamPolicyFunctor {
+  int M;
+  TeamPolicyFunctor(int M_):M(M_){}
+
+  KOKKOS_INLINE_FUNCTION
+  void operator() (const Kokkos::TeamPolicy<TEST_EXECSPACE>::member_type& team, int64_t& lsum) const {
+    for(int i=team.team_rank(); i<M; i+=team.team_size())
+      lsum += 1;
+  }
+};
+
+} // namespace
+
+TEST_F( TEST_CATEGORY, reduce_device_view_range_policy )
+{
+  int N=1000*1024*1024;
+  test_reduce_device_view(N,Kokkos::RangePolicy<TEST_EXECSPACE>(0,N),RangePolicyFunctor());
+}
+
+TEST_F( TEST_CATEGORY, reduce_device_view_mdrange_policy )
+{
+  int N=1000*1024*1024;
+  test_reduce_device_view(N,Kokkos::MDRangePolicy<TEST_EXECSPACE,Kokkos::Rank<3>>({0,0,0},{1000,1024,1024}),MDRangePolicyFunctor());
+}
+
+TEST_F( TEST_CATEGORY, reduce_device_view_team_policy )
+{
+  int N=1000*1024*1024;
+  test_reduce_device_view(N,Kokkos::TeamPolicy<TEST_EXECSPACE>(1000*1024,Kokkos::AUTO),TeamPolicyFunctor(1024));
+}
+
+} // namespace Test
+
diff --git a/lib/kokkos/core/unit_test/TestReducers.hpp b/lib/kokkos/core/unit_test/TestReducers.hpp
index 519e3a80f7..7270ea3375 100644
--- a/lib/kokkos/core/unit_test/TestReducers.hpp
+++ b/lib/kokkos/core/unit_test/TestReducers.hpp
@@ -477,7 +477,7 @@ struct TestReducers {
     int reference_loc = -1;
 
     for ( int i = 0; i < N; i++ ) {
-      h_values( i ) = (Scalar) ( rand() % 100000 );
+      h_values( i ) = (Scalar) ( rand() % 100000 + 2 );
 
       if ( h_values( i ) < reference_min ) {
         reference_min = h_values( i );
@@ -485,7 +485,7 @@ struct TestReducers {
       }
       else if ( h_values( i ) == reference_min ) {
         // Make min unique.
-        h_values( i ) += std::numeric_limits< Scalar >::epsilon();
+        h_values( i ) += Scalar(1);
       }
     }
     Kokkos::deep_copy( values, h_values );
@@ -537,7 +537,7 @@ struct TestReducers {
     int reference_loc = -1;
 
     for ( int i = 0; i < N; i++ ) {
-      h_values( i ) = (Scalar) ( rand() % 100000 );
+      h_values( i ) = (Scalar) ( rand() % 100000 + 2 );
 
       if ( h_values( i ) > reference_max ) {
         reference_max = h_values( i );
@@ -545,7 +545,7 @@ struct TestReducers {
       }
       else if ( h_values( i ) == reference_max ) {
         // Make max unique.
-        h_values( i ) -= std::numeric_limits< Scalar >::epsilon();
+        h_values( i ) -= Scalar(1);
       }
     }
     Kokkos::deep_copy( values, h_values );
@@ -599,7 +599,7 @@ struct TestReducers {
      int reference_maxloc = -1;
 
      for ( int i = 0; i < N; i++ ) {
-       h_values( i ) = (Scalar) ( rand() % 100000 );
+       h_values( i ) = (Scalar) ( rand() % 100000 + 2);
      }
 
      for ( int i = 0; i < N; i++ ) {
@@ -609,7 +609,7 @@ struct TestReducers {
        }
        else if ( h_values( i ) == reference_max ) {
          // Make max unique.
-         h_values( i ) -= std::numeric_limits< Scalar >::epsilon();
+         h_values( i ) -= Scalar(1);
        }
      }
 
@@ -620,7 +620,7 @@ struct TestReducers {
        }
        else if ( h_values( i ) == reference_min ) {
          // Make min unique.
-         h_values( i ) += std::numeric_limits< Scalar >::epsilon();
+         h_values( i ) += Scalar(1);
        }
      }
 
diff --git a/lib/kokkos/core/unit_test/TestScan.hpp b/lib/kokkos/core/unit_test/TestScan.hpp
index 5700c21dc6..e021ed09f5 100644
--- a/lib/kokkos/core/unit_test/TestScan.hpp
+++ b/lib/kokkos/core/unit_test/TestScan.hpp
@@ -69,9 +69,9 @@ struct TestScan {
       const value_type answer = n & 1 ? ( n * ( ( n + 1 ) / 2 ) ) : ( ( n / 2 ) * ( n + 1 ) );
 
       if ( answer != update ) {
-        errors()++;
+        int fail = errors()++;
 
-        if ( errors() < 20 ) {
+        if ( fail < 20 ) {
           printf( "TestScan(%d,%ld) != %ld\n", iwork, update, answer );
         }
       }
@@ -97,6 +97,7 @@ struct TestScan {
     long long int total = 0;
     Kokkos::parallel_scan( N, *this, total );
     run_check( size_t( ( N+1 )*N/2 ), size_t( total ) );
+    check_error();
   }
 
   TestScan( const WorkSpec & Start , const WorkSpec & N )
@@ -108,6 +109,13 @@ struct TestScan {
     errors = errors_a;
     
     Kokkos::parallel_scan( exec_policy( Start , N ) , *this );
+    check_error();
+  }
+
+  void check_error() {
+    int total_errors;
+    Kokkos::deep_copy(total_errors, errors);
+    ASSERT_EQ(total_errors,0);
   }
 
   static void test_range( const WorkSpec & begin, const WorkSpec & end )
diff --git a/lib/kokkos/core/unit_test/TestTeam.hpp b/lib/kokkos/core/unit_test/TestTeam.hpp
index 2fe615a75a..487a4d581c 100644
--- a/lib/kokkos/core/unit_test/TestTeam.hpp
+++ b/lib/kokkos/core/unit_test/TestTeam.hpp
@@ -61,7 +61,7 @@ struct TestTeamPolicy {
 
   TestTeamPolicy( const size_t league_size )
     : m_flags( Kokkos::ViewAllocateWithoutInitializing( "flags" ),
-               Kokkos::TeamPolicy< ScheduleType,  ExecSpace >::team_size_max( *this ),
+               Kokkos::TeamPolicy< ScheduleType,  ExecSpace >(1,1).team_size_max( *this, Kokkos::ParallelReduceTag() ),
                league_size ) {}
 
   struct VerifyInitTag {};
@@ -113,11 +113,14 @@ struct TestTeamPolicy {
   static void test_for( const size_t league_size )
   {
     TestTeamPolicy functor( league_size );
+    typedef Kokkos::TeamPolicy< ScheduleType,  ExecSpace > policy_type;
+    typedef Kokkos::TeamPolicy< ScheduleType,  ExecSpace, VerifyInitTag > policy_type_init;
 
-    const int team_size = Kokkos::TeamPolicy< ScheduleType,  ExecSpace >::team_size_max( functor );
+    const int team_size = policy_type(league_size,1).team_size_max( functor, Kokkos::ParallelForTag() );
+    const int team_size_init = policy_type_init(league_size,1).team_size_max( functor, Kokkos::ParallelForTag() );
 
-    Kokkos::parallel_for( Kokkos::TeamPolicy< ScheduleType,  ExecSpace >( league_size, team_size ), functor );
-    Kokkos::parallel_for( Kokkos::TeamPolicy< ScheduleType,  ExecSpace, VerifyInitTag >( league_size, team_size ), functor );
+    Kokkos::parallel_for( policy_type( league_size, team_size ), functor );
+    Kokkos::parallel_for( policy_type_init( league_size, team_size_init ), functor );
 
     test_small_league_size();
   }
@@ -142,15 +145,19 @@ struct TestTeamPolicy {
   {
     TestTeamPolicy functor( league_size );
 
-    const int team_size = Kokkos::TeamPolicy< ScheduleType,  ExecSpace >::team_size_max( functor );
+    typedef Kokkos::TeamPolicy< ScheduleType,  ExecSpace > policy_type;
+    typedef Kokkos::TeamPolicy< ScheduleType,  ExecSpace, ReduceTag > policy_type_reduce;
+
+    const int team_size = policy_type_reduce(league_size,1).team_size_max( functor, Kokkos::ParallelReduceTag() );
+
     const long N = team_size * league_size;
 
     long total = 0;
 
-    Kokkos::parallel_reduce( Kokkos::TeamPolicy< ScheduleType, ExecSpace >( league_size, team_size ), functor, total );
+    Kokkos::parallel_reduce( policy_type( league_size, team_size ), functor, total );
     ASSERT_EQ( size_t( ( N - 1 ) * ( N ) ) / 2, size_t( total ) );
 
-    Kokkos::parallel_reduce( Kokkos::TeamPolicy< ScheduleType, ExecSpace, ReduceTag >( league_size, team_size ), functor, total );
+    Kokkos::parallel_reduce( policy_type_reduce( league_size, team_size ), functor, total );
     ASSERT_EQ( ( size_t( N ) * size_t( N + 1 ) ) / 2, size_t( total ) );
   }
 };
@@ -177,8 +184,10 @@ public:
 
   const size_type nwork;
 
+  KOKKOS_INLINE_FUNCTION
   ReduceTeamFunctor( const size_type & arg_nwork ) : nwork( arg_nwork ) {}
 
+  KOKKOS_INLINE_FUNCTION
   ReduceTeamFunctor( const ReduceTeamFunctor & rhs ) : nwork( rhs.nwork ) {}
 
   KOKKOS_INLINE_FUNCTION
@@ -244,10 +253,12 @@ public:
     const unsigned long nsum = nw % 2 ? nw * ( ( nw + 1 ) / 2 )
                                       : ( nw / 2 ) * ( nw + 1 );
 
-    const unsigned team_size   = policy_type::team_size_recommended( functor_type( nwork ) );
+    policy_type team_exec( nw, 1 );
+
+    const unsigned team_size   = team_exec.team_size_recommended( functor_type( nwork ), Kokkos::ParallelReduceTag() );
     const unsigned league_size = ( nwork + team_size - 1 ) / team_size;
 
-    policy_type team_exec( league_size, team_size );
+    team_exec = policy_type( league_size, team_size );
 
     for ( unsigned i = 0; i < Repeat; ++i ) {
       result_type tmp( & result[i] );
@@ -370,7 +381,8 @@ public:
 
     functor_type functor;
 
-    policy_type team_exec( nteam, policy_type::team_size_max( functor ) );
+    policy_type team_exec( nteam, 1);
+    team_exec = policy_type(nteam, team_exec.team_size_max(functor, Kokkos::ParallelReduceTag()));
 
     for ( unsigned i = 0; i < Repeat; ++i ) {
       long int accum = 0;
@@ -475,7 +487,8 @@ struct TestSharedTeam {
     typedef Test::SharedTeamFunctor<ExecSpace, ScheduleType> Functor;
     typedef Kokkos::View< typename Functor::value_type, Kokkos::HostSpace, Kokkos::MemoryUnmanaged > result_type;
 
-    const size_t team_size = Kokkos::TeamPolicy< ScheduleType, ExecSpace >::team_size_max( Functor() );
+    const size_t team_size = Kokkos::TeamPolicy< ScheduleType, ExecSpace >(8192, 1).team_size_max( Functor(),
+        Kokkos::ParallelReduceTag() );
 
     Kokkos::TeamPolicy< ScheduleType, ExecSpace > team_exec( 8192 / team_size, team_size );
 
@@ -648,16 +661,20 @@ struct TestScratchTeam {
     typedef Kokkos::View< typename Functor::value_type, Kokkos::HostSpace, Kokkos::MemoryUnmanaged >  result_type;
     typedef Kokkos::TeamPolicy< ScheduleType,  ExecSpace > p_type;
 
-    const size_t team_size = p_type::team_size_max( Functor() );
-
-    p_type team_exec( 8192 / team_size, team_size );
 
     typename Functor::value_type error_count = 0;
 
+    int thread_scratch_size = Functor::shared_int_array_type::shmem_size( Functor::SHARED_THREAD_COUNT );
+
+    p_type team_exec = p_type(8192,1).set_scratch_size( 1, Kokkos::PerTeam( Functor::shared_int_array_type::shmem_size( Functor::SHARED_TEAM_COUNT ) ),
+                                                           Kokkos::PerThread( thread_scratch_size + 3*sizeof(int)));
+
+    const size_t team_size = team_exec.team_size_max( Functor(), Kokkos::ParallelReduceTag() );
+
     int team_scratch_size   = Functor::shared_int_array_type::shmem_size( Functor::SHARED_TEAM_COUNT ) +
                               Functor::shared_int_array_type::shmem_size( 3 * team_size );
 
-    int thread_scratch_size = Functor::shared_int_array_type::shmem_size( Functor::SHARED_THREAD_COUNT );
+    team_exec = p_type(8192 / team_size, team_size );
 
     Kokkos::parallel_reduce( team_exec.set_scratch_size( 1, Kokkos::PerTeam( team_scratch_size ),
                                                          Kokkos::PerThread( thread_scratch_size ) ),
@@ -956,7 +973,7 @@ struct TestShmemSize {
 
     size_t size = view_type::shmem_size( d1, d2, d3 );
 
-    ASSERT_EQ( size, d1 * d2 * d3 * sizeof( long ) );
+    ASSERT_EQ( size, (d1 * d2 * d3 + 1)* sizeof( long ) );
 
     test_layout_stride();
   }
@@ -973,3 +990,123 @@ struct TestShmemSize {
 };
 
 } // namespace Test
+
+/*--------------------------------------------------------------------------*/
+
+namespace Test {
+
+namespace {
+
+template< class ExecSpace, class ScheduleType >
+struct TestTeamBroadcast {
+  typedef typename Kokkos::TeamPolicy< ScheduleType,  ExecSpace >::member_type team_member;
+
+  TestTeamBroadcast( const size_t league_size ) {}
+
+  struct BroadcastTag {};
+
+  typedef long value_type;
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()( const team_member &teamMember, value_type &update ) const
+  {
+    int lid = teamMember.league_rank();
+    int tid = teamMember.team_rank();
+    int ts  = teamMember.team_size();
+
+    value_type parUpdate = 0;
+    value_type value     = tid * 3 + 1;
+	
+    teamMember.team_broadcast(value, lid%ts); 
+
+    Kokkos::parallel_reduce( Kokkos::TeamThreadRange( teamMember, ts ), [&] ( const int j, value_type &teamUpdate ) {
+      teamUpdate += value;
+    }, parUpdate );
+
+    if ( teamMember.team_rank() == 0 ) update += parUpdate;
+  }
+
+  KOKKOS_INLINE_FUNCTION
+  void operator()( const BroadcastTag &, const team_member &teamMember, value_type &update ) const
+  {
+    int lid = teamMember.league_rank();
+    int tid = teamMember.team_rank();
+    int ts  = teamMember.team_size();
+
+    value_type parUpdate = 0;
+    value_type value     = tid * 3 + 1;
+
+    teamMember.team_broadcast([&] (value_type & var) { var*=2; }, value, lid%ts);
+    
+    Kokkos::parallel_reduce( Kokkos::TeamThreadRange( teamMember, ts ), [&] ( const int j, value_type &teamUpdate ) {
+      teamUpdate += value;
+    }, parUpdate );
+
+    if ( teamMember.team_rank() == 0 ) update += parUpdate;
+  }
+
+  static void test_teambroadcast( const size_t league_size )
+  {
+    TestTeamBroadcast functor( league_size );
+
+    typedef Kokkos::TeamPolicy< ScheduleType, ExecSpace > policy_type;
+    typedef Kokkos::TeamPolicy< ScheduleType, ExecSpace, BroadcastTag > policy_type_f;
+
+    const int team_size = policy_type_f(league_size,1).team_size_max( functor, Kokkos::ParallelReduceTag() ); //printf("team_size=%d\n",team_size);
+
+    //team_broadcast with value
+    long total = 0;
+
+    Kokkos::parallel_reduce( policy_type( league_size, team_size ), functor, total );
+    
+    value_type expected_result = 0;
+    for (unsigned int i=0; i<league_size; i++){
+      value_type val  = ((i%team_size)*3+1)*team_size;
+      expected_result+= val;
+    }
+    ASSERT_EQ( size_t( expected_result ), size_t( total ) ); //printf("team_broadcast with value -- expected_result=%d, total=%d\n",expected_result, total);
+
+    //team_broadcast with funtion object
+    total = 0;
+
+    Kokkos::parallel_reduce( policy_type_f( league_size, team_size ), functor, total );
+
+    expected_result = 0;
+    for (unsigned int i=0; i<league_size; i++){
+      value_type val  = ((i%team_size)*3+1)*2*team_size;
+      expected_result+= val;
+    }
+    ASSERT_EQ( size_t( expected_result ), size_t( total ) ); //printf("team_broadcast with funtion object -- expected_result=%d, total=%d\n",expected_result, total);
+  }
+};
+
+template<class ExecSpace>
+struct TestScratchAlignment {
+  struct TestScalar {
+    double x,y,z;
+  };
+  TestScratchAlignment() {
+    test(true);
+    test(false);
+  }
+  typedef Kokkos::View<TestScalar*,typename ExecSpace::scratch_memory_space> ScratchView;
+  typedef Kokkos::View<int*,typename ExecSpace::scratch_memory_space> ScratchViewInt;
+  void test(bool allocate_small) {
+    int shmem_size = ScratchView::shmem_size(11);
+    if(allocate_small) shmem_size += ScratchViewInt::shmem_size(1);
+    Kokkos::parallel_for(Kokkos::TeamPolicy<ExecSpace>(1,1).set_scratch_size(0,Kokkos::PerTeam(shmem_size)),
+     KOKKOS_LAMBDA (const typename Kokkos::TeamPolicy<ExecSpace>::member_type& team) {
+     if(allocate_small) ScratchViewInt p(team.team_scratch(0),1);
+     ScratchView a(team.team_scratch(0),11);
+     if(ptrdiff_t(a.data())%sizeof(TestScalar)!=0)
+       Kokkos::abort("Error: invalid scratch view alignment\n");
+    });
+    Kokkos::fence();
+  }
+};
+
+} // namespace
+
+} // namespace Test
+
+/*--------------------------------------------------------------------------*/
diff --git a/lib/kokkos/core/unit_test/TestTeamTeamSize.hpp b/lib/kokkos/core/unit_test/TestTeamTeamSize.hpp
new file mode 100644
index 0000000000..f9d5add5d0
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestTeamTeamSize.hpp
@@ -0,0 +1,146 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cstdio>
+#include <stdexcept>
+#include <sstream>
+#include <iostream>
+
+#include <Kokkos_Core.hpp>
+
+namespace Test {
+
+namespace {
+  template<class T,int N>
+  class MyArray {
+  public:
+    T values[N];
+    KOKKOS_INLINE_FUNCTION
+    void operator+= (const MyArray& src) { for(int i=0; i<N; i++) values[i] += src.values[i]; }
+    KOKKOS_INLINE_FUNCTION
+    void operator=  (const MyArray& src) { for(int i=0; i<N; i++) values[i] =  src.values[i]; }
+    KOKKOS_INLINE_FUNCTION
+    void operator+= (const volatile MyArray& src) volatile { for(int i=0; i<N; i++) values[i] += src.values[i]; }
+    KOKKOS_INLINE_FUNCTION
+    void operator=  (const volatile MyArray& src) volatile { for(int i=0; i<N; i++) values[i] =  src.values[i]; }
+  };
+
+  template<class T,int N, class PolicyType, int S>
+  struct FunctorFor {
+    double static_array[S];
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const typename PolicyType::member_type& team) const {
+    }
+  };
+  template<class T,int N, class PolicyType, int S>
+  struct FunctorReduce {
+    double static_array[S];
+    KOKKOS_INLINE_FUNCTION
+    void operator() (const typename PolicyType::member_type& team, MyArray<T,N>& lval) const {
+      for(int j=0; j<N; j++)
+        lval.values[j] += 1 + lval.values[0];
+    }
+  };
+}
+
+
+typedef Kokkos::TeamPolicy<TEST_EXECSPACE> policy_type;
+typedef Kokkos::TeamPolicy<TEST_EXECSPACE, Kokkos::LaunchBounds<128,8> > policy_type_128_8;
+typedef Kokkos::TeamPolicy<TEST_EXECSPACE, Kokkos::LaunchBounds<1024,2> > policy_type_1024_2;
+
+template<class T, int N, class PolicyType, int S>
+void test_team_policy_max_recommended_static_size(int scratch_size) {
+  PolicyType p = PolicyType(10000, Kokkos::AUTO, 4).set_scratch_size(0,Kokkos::PerTeam(scratch_size));
+  int team_size_max_for = p.team_size_max(FunctorFor<T,N,PolicyType,S>(),Kokkos::ParallelForTag());
+  int team_size_rec_for = p.team_size_recommended(FunctorFor<T,N,PolicyType,S>(),Kokkos::ParallelForTag());
+  int team_size_max_reduce = p.team_size_max(FunctorReduce<T,N,PolicyType,S>(),Kokkos::ParallelReduceTag());
+  int team_size_rec_reduce = p.team_size_recommended(FunctorReduce<T,N,PolicyType,S>(),Kokkos::ParallelReduceTag());
+
+  ASSERT_TRUE( team_size_max_for >= team_size_rec_for );
+  ASSERT_TRUE( team_size_max_reduce >= team_size_rec_reduce );
+  ASSERT_TRUE( team_size_max_for >= team_size_max_reduce );
+
+  Kokkos::parallel_for(PolicyType(10000, team_size_max_for, 4).set_scratch_size(0,Kokkos::PerTeam(scratch_size)),
+                       FunctorFor<T,N,PolicyType,S>());
+  Kokkos::parallel_for(PolicyType(10000, team_size_rec_for, 4).set_scratch_size(0,Kokkos::PerTeam(scratch_size)),
+                       FunctorFor<T,N,PolicyType,S>());
+  MyArray<T,N> val;
+  Kokkos::parallel_reduce(PolicyType(10000, team_size_max_reduce, 4).set_scratch_size(0,Kokkos::PerTeam(scratch_size)),
+                       FunctorReduce<T,N,PolicyType,S>(),val);
+  Kokkos::parallel_reduce(PolicyType(10000, team_size_rec_reduce, 4).set_scratch_size(0,Kokkos::PerTeam(scratch_size)),
+                       FunctorReduce<T,N,PolicyType,S>(),val);
+  Kokkos::fence();
+}
+
+template<class T, int N, class PolicyType>
+void test_team_policy_max_recommended(int scratch_size) {
+  test_team_policy_max_recommended_static_size<T,N,PolicyType,1>(scratch_size);
+  test_team_policy_max_recommended_static_size<T,N,PolicyType,1000>(scratch_size);
+}
+
+TEST_F( TEST_CATEGORY, team_policy_max_recommended )
+{
+  int max_scratch_size = policy_type::scratch_size_max(0);
+  test_team_policy_max_recommended<double,2,policy_type>(0);
+  test_team_policy_max_recommended<double,2,policy_type>(max_scratch_size/3);
+  test_team_policy_max_recommended<double,2,policy_type>(max_scratch_size);
+  test_team_policy_max_recommended<double,2,policy_type_128_8>(0);
+  test_team_policy_max_recommended<double,2,policy_type_128_8>(max_scratch_size/3/8);
+  test_team_policy_max_recommended<double,2,policy_type_128_8>(max_scratch_size/8);
+  test_team_policy_max_recommended<double,2,policy_type_1024_2>(0);
+  test_team_policy_max_recommended<double,2,policy_type_1024_2>(max_scratch_size/3/2);
+  test_team_policy_max_recommended<double,2,policy_type_1024_2>(max_scratch_size/2);
+
+  test_team_policy_max_recommended<double,16,policy_type>(0);
+  test_team_policy_max_recommended<double,16,policy_type>(max_scratch_size/3);
+  test_team_policy_max_recommended<double,16,policy_type>(max_scratch_size);
+  test_team_policy_max_recommended<double,16,policy_type_128_8>(0);
+  test_team_policy_max_recommended<double,16,policy_type_128_8>(max_scratch_size/3/8);
+  test_team_policy_max_recommended<double,16,policy_type_128_8>(max_scratch_size/8);
+  test_team_policy_max_recommended<double,16,policy_type_1024_2>(0);
+  test_team_policy_max_recommended<double,16,policy_type_1024_2>(max_scratch_size/3/2);
+  test_team_policy_max_recommended<double,16,policy_type_1024_2>(max_scratch_size/2);
+}
+
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/TestTeamVector.hpp b/lib/kokkos/core/unit_test/TestTeamVector.hpp
index 783fde600b..294247a78d 100644
--- a/lib/kokkos/core/unit_test/TestTeamVector.hpp
+++ b/lib/kokkos/core/unit_test/TestTeamVector.hpp
@@ -227,14 +227,13 @@ struct functor_team_for {
 
   functor_team_for( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
-    typedef typename ExecutionSpace::scratch_memory_space shmem_space;
-    typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
-    typedef typename shared_int::size_type size_type;
-
+    typedef typename shmem_space::size_type size_type;
     const size_type shmemSize = team.team_size() * 13;
     shared_int values = shared_int( team.team_shmem(), shmemSize );
 
@@ -290,7 +289,9 @@ struct functor_team_reduce {
 
   functor_team_reduce( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
@@ -333,7 +334,9 @@ struct functor_team_reduce_reducer {
 
   functor_team_reduce_reducer( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
@@ -376,12 +379,12 @@ struct functor_team_vector_for {
 
   functor_team_vector_for( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
-    typedef typename ExecutionSpace::scratch_memory_space shmem_space;
-    typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
     typedef typename shared_int::size_type size_type;
 
     const size_type shmemSize = team.team_size() * 13;
@@ -442,7 +445,9 @@ struct functor_team_vector_reduce {
   Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag;
   functor_team_vector_reduce( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
@@ -485,7 +490,9 @@ struct functor_team_vector_reduce_reducer {
 
   functor_team_vector_reduce_reducer( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
@@ -568,12 +575,12 @@ struct functor_vec_for {
 
   functor_vec_for( Kokkos::View< int, Kokkos::LayoutLeft, ExecutionSpace > flag_ ) : flag( flag_ ) {}
 
-  unsigned team_shmem_size( int team_size ) const { return team_size * 13 * sizeof( Scalar ) + 8; }
+  typedef typename ExecutionSpace::scratch_memory_space shmem_space;
+  typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
+  unsigned team_shmem_size( int team_size ) const { return shared_int::shmem_size(team_size*13); }
 
   KOKKOS_INLINE_FUNCTION
   void operator()( typename policy_type::member_type team ) const {
-    typedef typename ExecutionSpace::scratch_memory_space shmem_space;
-    typedef Kokkos::View< Scalar*, shmem_space, Kokkos::MemoryUnmanaged > shared_int;
 
     shared_int values = shared_int( team.team_shmem(), team.team_size() * 13 );
 
@@ -739,23 +746,16 @@ bool test_scalar( int nteams, int team_size, int test ) {
                           functor_vec_red< Scalar, ExecutionSpace >( d_flag ) );
   }
   else if ( test == 1 ) {
-    // WORKAROUND ROCM/CUDA
+    // WORKAROUND CUDA
     #if defined(KOKKOS_ENABLE_CUDA)
     #if defined(KOKKOS_IMPL_CUDA_CLANG_WORKAROUND) || defined(KOKKOS_ARCH_PASCAL)
     if(!std::is_same<ExecutionSpace,Kokkos::Cuda>::value)
     #endif
     #endif
-    #if defined(KOKKOS_ENABLE_ROCM)
-    if(!std::is_same<ExecutionSpace,Kokkos::Experimental::ROCm>::value)
-    #endif
     Kokkos::parallel_for( Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
                           functor_vec_red_reducer< Scalar, ExecutionSpace >( d_flag ) );
   }
   else if ( test == 2 ) {
-    // WORKAROUND ROCM
-    #if defined(KOKKOS_ENABLE_ROCM)
-    if(!std::is_same<ExecutionSpace,Kokkos::Experimental::ROCm>::value)
-    #endif
     Kokkos::parallel_for( Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
                           functor_vec_scan< Scalar, ExecutionSpace >( d_flag ) );
   }
@@ -776,10 +776,6 @@ bool test_scalar( int nteams, int team_size, int test ) {
                           functor_team_reduce< Scalar, ExecutionSpace >( d_flag ) );
   }
   else if ( test == 7 ) {
-    // WORKAROUND ROCM
-    #if defined(KOKKOS_ENABLE_ROCM)
-    if(!std::is_same<ExecutionSpace,Kokkos::Experimental::ROCm>::value)
-    #endif
     Kokkos::parallel_for( Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size ),
                           functor_team_reduce_reducer< Scalar, ExecutionSpace >( d_flag ) );
   }
@@ -792,10 +788,6 @@ bool test_scalar( int nteams, int team_size, int test ) {
                           functor_team_vector_reduce< Scalar, ExecutionSpace >( d_flag ) );
   }
   else if ( test == 10 ) {
-    // WORKAROUND ROCM
-    #if defined(KOKKOS_ENABLE_ROCM)
-    if(!std::is_same<ExecutionSpace,Kokkos::Experimental::ROCm>::value)
-    #endif
     Kokkos::parallel_for( Kokkos::TeamPolicy< ExecutionSpace >( nteams, team_size, 8 ),
                           functor_team_vector_reduce_reducer< Scalar, ExecutionSpace >( d_flag ) );
   }
@@ -955,28 +947,22 @@ TEST_F( TEST_CATEGORY, triple_nested_parallelism )
 // With KOKKOS_DEBUG enabled, the functor uses too many registers to run
 // with a team size of 32 on GPUs, 16 is the max possible (at least on a K80 GPU)
 // See https://github.com/kokkos/kokkos/issues/1513
-#if defined(KOKKOS_DEBUG) && defined(KOKKOS_ENABLE_CUDA)
+#if defined(KOKKOS_ENABLE_DEBUG) && defined(KOKKOS_ENABLE_CUDA)
   if (!std::is_same<TEST_EXECSPACE, Kokkos::Cuda>::value) {
 #endif
 #ifdef KOKKOS_ENABLE_ROCM // ROCm doesn't support TeamSize 32x32
-  if (!std::is_same<TEST_EXECSPACE, Kokkos::Experimental::ROCm>::value) {
+  if (!std::is_same<TEST_EXECSPACE, Kokkos::Experimental::ROCm>::value)
 #endif
   TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 32, 32 );
-#ifdef KOKKOS_ENABLE_ROCM
-  }
-#endif
   TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 32, 16 );
-#if defined(KOKKOS_DEBUG) && defined(KOKKOS_ENABLE_CUDA)
+#if defined(KOKKOS_ENABLE_DEBUG) && defined(KOKKOS_ENABLE_CUDA)
   }
 #endif
   TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 16, 16 );
 #ifdef KOKKOS_ENABLE_ROCM // ROCm doesn't support team sizes not powers of two
-  if (!std::is_same<TEST_EXECSPACE, Kokkos::Experimental::ROCm>::value) {
+  if (!std::is_same<TEST_EXECSPACE, Kokkos::Experimental::ROCm>::value)
 #endif
   TestTripleNestedReduce< double, TEST_EXECSPACE >( 8192, 2048, 7, 16 );
-#ifdef KOKKOS_ENABLE_ROCM
-  }
-#endif
 }
 #endif
 
diff --git a/lib/kokkos/core/unit_test/TestViewAPI_a.hpp b/lib/kokkos/core/unit_test/TestViewAPI_a.hpp
index efc9ab27b6..ba74331c51 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI_a.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI_a.hpp
@@ -45,11 +45,9 @@
 
 namespace Test {
 
-#if !defined(KOKKOS_ENABLE_ROCM)
 TEST_F( TEST_CATEGORY, view_api_a )
 {
   TestViewAPI< double, TEST_EXECSPACE >::run_test();
 }
-#endif
 
 }
diff --git a/lib/kokkos/core/unit_test/TestViewAPI_b.hpp b/lib/kokkos/core/unit_test/TestViewAPI_b.hpp
index e006dd9b60..03b41db516 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI_b.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI_b.hpp
@@ -45,13 +45,11 @@
 
 namespace Test {
 
-#if !defined(KOKKOS_ENABLE_ROCM)
 TEST_F( TEST_CATEGORY, view_api_b )
 {
   TestViewAPI< double, TEST_EXECSPACE >::run_test_view_operator_a();
   TestViewAPI< double, TEST_EXECSPACE >::run_test_mirror();
   TestViewAPI< double, TEST_EXECSPACE >::run_test_scalar();
 }
-#endif
 
 }
diff --git a/lib/kokkos/core/unit_test/TestViewAPI_c.hpp b/lib/kokkos/core/unit_test/TestViewAPI_c.hpp
index a0f03ff181..d34ae6340e 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI_c.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI_c.hpp
@@ -45,12 +45,10 @@
 
 namespace Test {
 
-#if !defined(KOKKOS_ENABLE_ROCM)
 TEST_F( TEST_CATEGORY, view_api_c )
 {
   TestViewAPI< double, TEST_EXECSPACE >::run_test_deep_copy_empty();
   TestViewAPI< double, TEST_EXECSPACE >::run_test_view_operator_b();
 }
-#endif
 
 }
diff --git a/lib/kokkos/core/unit_test/TestViewAPI_d.hpp b/lib/kokkos/core/unit_test/TestViewAPI_d.hpp
index b984df98b4..38e10381f2 100644
--- a/lib/kokkos/core/unit_test/TestViewAPI_d.hpp
+++ b/lib/kokkos/core/unit_test/TestViewAPI_d.hpp
@@ -45,7 +45,6 @@
 
 namespace Test {
 
-#if !defined(KOKKOS_ENABLE_ROCM)
 TEST_F( TEST_CATEGORY, view_api_d )
 {
   TestViewAPI< double, TEST_EXECSPACE >::run_test_const();
@@ -54,6 +53,5 @@ TEST_F( TEST_CATEGORY, view_api_d )
   TestViewAPI< double, TEST_EXECSPACE >::run_test_vector();
   TestViewAPI< double, TEST_EXECSPACE >::run_test_view_operator_c();
 }
-#endif
 
 }
diff --git a/lib/kokkos/core/unit_test/TestViewCopy.hpp b/lib/kokkos/core/unit_test/TestViewCopy.hpp
new file mode 100644
index 0000000000..7eab9daa11
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestViewCopy.hpp
@@ -0,0 +1,155 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cstdio>
+
+#include <gtest/gtest.h>
+
+#include <Kokkos_Core.hpp>
+
+namespace Test {
+
+namespace {
+
+template < typename ExecSpace >
+struct TestViewCopy {
+
+  using InExecSpace = ExecSpace;
+
+  static void test_view_copy()
+  {
+#if defined( KOKKOS_ENABLE_CUDA ) || defined( KOKKOS_ENABLE_ROCM )
+   // ExecSpace = CudaUVM, CudaHostPinned
+   // This test will fail at runtime with an illegal memory access if something goes wrong
+   // Test 1: deep_copy from host_mirror_space to ExecSpace and ExecSpace back to host_mirror_space
+   {
+    const int dim0 = 4;
+    const int dim1 = 2;
+    const int dim2 = 3;
+
+    typedef Kokkos::View<double****,InExecSpace> Rank4ViewType;
+    Rank4ViewType view_4;
+    view_4 = Rank4ViewType("view_4", dim0, dim1, dim2, dim2);
+
+    typedef typename Kokkos::Impl::is_space<InExecSpace>::host_mirror_space::execution_space host_space_type;
+    Kokkos::View<double**,Kokkos::LayoutLeft,host_space_type> srcView("srcView", dim2, dim2);
+
+    // Strided dst view
+    auto dstView = Kokkos::subview(view_4, 0, 0, Kokkos::ALL(), Kokkos::ALL());
+
+    // host_mirror_space to ExecSpace
+    Kokkos::deep_copy( dstView, srcView );
+    Kokkos::fence();
+
+    // ExecSpace to host_mirror_space 
+    Kokkos::deep_copy( srcView, dstView );
+    Kokkos::fence();
+   }
+
+   // Test 2: deep_copy from Cuda to ExecSpace and ExecSpace back to Cuda
+   {
+    const int dim0 = 4;
+    const int dim1 = 2;
+    const int dim2 = 3;
+
+    typedef Kokkos::View<double****,InExecSpace> Rank4ViewType;
+    Rank4ViewType view_4;
+    view_4 = Rank4ViewType("view_4", dim0, dim1, dim2, dim2);
+
+#if defined( KOKKOS_ENABLE_CUDA )
+    typedef Kokkos::Cuda space_type;
+#endif
+#if defined( KOKKOS_ENABLE_ROCM )
+    typedef Kokkos::Experimental::ROCm space_type;
+#endif
+    Kokkos::View<double**,Kokkos::LayoutLeft,space_type> srcView("srcView", dim2, dim2);
+
+    // Strided dst view
+    auto dstView = Kokkos::subview(view_4, 0, 0, Kokkos::ALL(), Kokkos::ALL());
+
+    // Cuda to ExecSpace
+    Kokkos::deep_copy( dstView, srcView );
+    Kokkos::fence();
+
+    // ExecSpace to Cuda
+    Kokkos::deep_copy( srcView, dstView );
+    Kokkos::fence();
+   }
+
+   // Test 3: deep_copy from host_space to ExecSpace and ExecSpace back to host_space
+   {
+    const int dim0 = 4;
+    const int dim1 = 2;
+    const int dim2 = 3;
+
+    typedef Kokkos::View<double****,InExecSpace> Rank4ViewType;
+    Rank4ViewType view_4;
+    view_4 = Rank4ViewType("view_4", dim0, dim1, dim2, dim2);
+
+    typedef Kokkos::HostSpace host_space_type;
+    Kokkos::View<double**,Kokkos::LayoutLeft,host_space_type> srcView("srcView", dim2, dim2);
+
+    // Strided dst view
+    auto dstView = Kokkos::subview(view_4, 0, 0, Kokkos::ALL(), Kokkos::ALL());
+
+    // host_space to ExecSpace
+    Kokkos::deep_copy( dstView, srcView );
+    Kokkos::fence();
+
+    // ExecSpace to host_space 
+    Kokkos::deep_copy( srcView, dstView );
+    Kokkos::fence();
+   }
+#endif
+  } // end test_view_copy
+
+}; // end struct
+
+} // namespace
+
+TEST_F( TEST_CATEGORY , view_copy_tests ) {
+  //Only include this file to be compiled with CudaUVM and CudaHostPinned
+  TestViewCopy< TEST_EXECSPACE >::test_view_copy();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/TestViewLayoutStrideAssignment.hpp b/lib/kokkos/core/unit_test/TestViewLayoutStrideAssignment.hpp
new file mode 100644
index 0000000000..3185fa5473
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestViewLayoutStrideAssignment.hpp
@@ -0,0 +1,740 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <gtest/gtest.h>
+
+#include <stdexcept>
+#include <sstream>
+#include <iostream>
+#include <time.h>
+
+#include <Kokkos_Core.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY , view_layoutstride_left_to_layoutleft_assignment )
+{
+  typedef TEST_EXECSPACE exec_space ;
+
+  auto t = time(0);
+  srand(t);// Use current time as seed for random generator
+  printf("view_layoutstride_left_to_layoutleft_assignment: srand(%lu)\n",size_t(t));
+
+  { // Assignment of rank-1 LayoutLeft = LayoutStride
+    int ndims = 1;
+    int dims [] = {10};
+    int order [] = {0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double*, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-2 LayoutLeft = LayoutStride
+    int ndims = 2;
+    int dims [] = {10,9};
+    int order [] = {0,1};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);  
+  
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double**, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double**, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-3 LayoutLeft = LayoutStride
+    int ndims = 3;
+    int dims [] = {10,9,8};
+    int order [] = {0,1,2};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double***, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double***, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-4 LayoutLeft = LayoutStride
+    int ndims = 4;
+    int dims [] = {10,9,8,7};
+    int order [] = {0,1,2,3};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double****, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double****, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-5 LayoutLeft = LayoutStride
+    int ndims = 5;
+    int dims [] = {10,9,8,7,6};
+    int order [] = {0,1,2,3,4};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*****, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double*****, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-6 LayoutLeft = LayoutStride
+    int ndims = 6;
+    int dims [] = {10,9,8,7,6,5};
+    int order [] = {0,1,2,3,4,5};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double******, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double******, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-7 LayoutLeft = LayoutStride
+    int ndims = 7;
+    int dims [] = {10,9,8,7,6,5,4};
+    int order [] = {0,1,2,3,4,5,6};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*******, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double*******, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-8 LayoutLeft = LayoutStride
+    int ndims = 8;
+    int dims [] = {10,9,8,7,6,5,4,3};
+    int order [] = {0,1,2,3,4,5,6,7};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double********, Kokkos::LayoutLeft, exec_space > dst = src;
+
+    Kokkos::View< double********, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+
+}
+
+TEST_F( TEST_CATEGORY , view_layoutstride_right_to_layoutright_assignment )
+{
+  typedef TEST_EXECSPACE exec_space ;
+
+  auto t = time(0);
+  srand(t);// Use current time as seed for random generator
+  printf("view_layoutstride_right_to_layoutright_assignment: srand(%lu)\n",size_t(t));
+
+  { // Assignment of rank-1 LayoutRight = LayoutStride
+    int ndims = 1;
+    int dims [] = {10};
+    int order [] = {0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double*, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-2 LayoutRight = LayoutStride
+    int ndims = 2;
+    int dims [] = {10,9};
+    int order [] = {1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double**, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double**, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-3 LayoutRight = LayoutStride
+    int ndims = 3;
+    int dims [] = {10,9,8};
+    int order [] = {2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double***, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double***, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-4 LayoutRight = LayoutStride
+    int ndims = 4;
+    int dims [] = {10,9,8,7};
+    int order [] = {3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double****, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double****, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-5 LayoutRight = LayoutStride
+    int ndims = 5;
+    int dims [] = {10,9,8,7,6};
+    int order [] = {4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*****, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double*****, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-6 LayoutRight = LayoutStride
+    int ndims = 6;
+    int dims [] = {10,9,8,7,6,5};
+    int order [] = {5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double******, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double******, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-7 LayoutRight = LayoutStride
+    int ndims = 7;
+    int dims [] = {10,9,8,7,6,5,4};
+    int order [] = {6,5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*******, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double*******, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-8 LayoutRight = LayoutStride
+    int ndims = 8;
+    int dims [] = {10,9,8,7,6,5,4,3};
+    int order [] = {7,6,5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double********, Kokkos::LayoutRight, exec_space > dst = src;
+
+    Kokkos::View< double********, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+
+}
+
+TEST_F( TEST_CATEGORY , view_layoutstride_right_to_layoutleft_assignment )
+{
+  typedef TEST_EXECSPACE exec_space ;
+
+  auto t = time(0);
+  srand(t);// Use current time as seed for random generator
+  printf("view_layoutstride_right_to_layoutleft_assignment: srand(%lu)\n",size_t(t));
+
+  { // Assignment of rank-1 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 1;
+    int dims [] = {10};
+    int order [] = {0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*, Kokkos::LayoutLeft, exec_space > dst;
+    
+    dst = src;
+
+    Kokkos::View< double*, Kokkos::LayoutLeft, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-2 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 2;
+    int dims [] = {10,9};
+    int order [] = {1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double**, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-3 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 3;
+    int dims [] = {10,9,8};
+    int order [] = {2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double***, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-4 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 4;
+    int dims [] = {10,9,8,7};
+    int order [] = {3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double****, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-5 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 5;
+    int dims [] = {10,9,8,7,6};
+    int order [] = {4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*****, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-6 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 6;
+    int dims [] = {10,9,8,7,6,5};
+    int order [] = {5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double******, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-7 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 7;
+    int dims [] = {10,9,8,7,6,5,4};
+    int order [] = {6,5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double*******, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-8 LayoutLeft = LayoutStride (LayoutRight compatible)
+    int ndims = 8;
+    int dims [] = {10,9,8,7,6,5,4,3};
+    int order [] = {7,6,5,4,3,2,1,0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double********, Kokkos::LayoutLeft, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+
+}
+
+TEST_F( TEST_CATEGORY , view_layoutstride_left_to_layoutright_assignment )
+{
+  typedef TEST_EXECSPACE exec_space ;
+
+  auto t = time(0);
+  srand(t);// Use current time as seed for random generator
+  printf("view_layoutstride_left_to_layoutright_assignment: srand(%lu)\n",size_t(t));
+
+  { // Assignment of rank-1 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 1;
+    int dims [] = {10};
+    int order [] = {0};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double*, Kokkos::LayoutStride, exec_space >::HostMirror h_src = Kokkos::create_mirror_view( src );
+
+    for(size_t i=0; i<src.span(); i++) h_src.data()[i] = (double)rand() / RAND_MAX * (100);
+
+    Kokkos::deep_copy( src, h_src );
+
+    Kokkos::View< double*, Kokkos::LayoutRight, exec_space > dst;
+    
+    dst = src;
+
+    Kokkos::View< double*, Kokkos::LayoutRight, exec_space >::HostMirror h_dst = Kokkos::create_mirror_view( dst );
+
+    Kokkos::deep_copy( h_dst, dst );
+
+    bool test = true;
+    for(size_t i=0; i<src.span();i++){
+      if (h_src.data()[i]!=h_dst.data()[i]) {test = false;break;}
+    }
+    ASSERT_EQ( dst.span(), src.span() );
+    ASSERT_EQ( test, true );
+  }
+  { // Assignment of rank-2 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 2;
+    int dims [] = {10,9};
+    int order [] = {0,1};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double**, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double**, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-3 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 3;
+    int dims [] = {10,9,8};
+    int order [] = {0,1,2};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double***, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double***, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-4 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 4;
+    int dims [] = {10,9,8,7};
+    int order [] = {0,1,2,3};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double****, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-5 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 5;
+    int dims [] = {10,9,8,7,6};
+    int order [] = {0,1,2,3,4};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*****, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double*****, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-6 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 6;
+    int dims [] = {10,9,8,7,6,5};
+    int order [] = {0,1,2,3,4,5};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+	
+    Kokkos::View< double******, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-7 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 7;
+    int dims [] = {10,9,8,7,6,5,4};
+    int order [] = {0,1,2,3,4,5,6};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double*******, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double*******, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+  { // Assignment of rank-8 LayoutRight = LayoutStride (LayoutLeft compatible)
+    int ndims = 8;
+    int dims [] = {10,9,8,7,6,5,4,3};
+    int order [] = {0,1,2,3,4,5,6,7};
+    Kokkos::LayoutStride layout = Kokkos::LayoutStride::order_dimensions(ndims, order, dims);
+    Kokkos::View< double********, Kokkos::LayoutStride, exec_space > src("LayoutStride", layout);
+
+    Kokkos::View< double********, Kokkos::LayoutRight, exec_space > dst;
+
+    ::testing::FLAGS_gtest_death_test_style = "threadsafe";
+    ASSERT_DEATH({dst=src;}, "View assignment must have compatible layouts");
+  }
+
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/TestViewLayoutTiled.hpp b/lib/kokkos/core/unit_test/TestViewLayoutTiled.hpp
new file mode 100644
index 0000000000..e765e8b06d
--- /dev/null
+++ b/lib/kokkos/core/unit_test/TestViewLayoutTiled.hpp
@@ -0,0 +1,1215 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cstdio>
+
+#include <gtest/gtest.h>
+
+#include <Kokkos_Core.hpp>
+#include <impl/Kokkos_ViewLayoutTiled.hpp>
+
+#include <type_traits>
+#include <typeinfo>
+
+namespace Test {
+
+#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
+namespace {
+
+template <typename ExecSpace >
+struct TestViewLayoutTiled {
+
+  typedef double Scalar;
+
+  static constexpr int T0 = 2;
+  static constexpr int T1 = 4;
+  static constexpr int T2 = 4;
+  static constexpr int T3 = 2;
+  static constexpr int T4 = 2;
+  static constexpr int T5 = 2;
+  static constexpr int T6 = 2;
+  static constexpr int T7 = 2;
+
+  // Rank 2
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Left, T0, T1>   LayoutLL_2D_2x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Left, T0, T1>  LayoutRL_2D_2x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Right, T0, T1>  LayoutLR_2D_2x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Right, T0, T1> LayoutRR_2D_2x4;
+
+  // Rank 3
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Left, T0, T1, T2>   LayoutLL_3D_2x4x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Left, T0, T1, T2>  LayoutRL_3D_2x4x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Right, T0, T1, T2>  LayoutLR_3D_2x4x4;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Right, T0, T1, T2> LayoutRR_3D_2x4x4;
+
+  // Rank 4
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Left, T0, T1, T2, T3>   LayoutLL_4D_2x4x4x2;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Left, T0, T1, T2, T3>  LayoutRL_4D_2x4x4x2;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Right, T0, T1, T2, T3>  LayoutLR_4D_2x4x4x2;
+  typedef Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Right, T0, T1, T2, T3> LayoutRR_4D_2x4x4x2;
+
+
+  static void test_view_layout_tiled_2d( const int N0, const int N1 )
+  {
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    const int FT = T0*T1;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+    // Test create_mirror_view, deep_copy
+    // Create LL View
+    {
+      typedef typename Kokkos::View< Scalar**, LayoutLL_2D_2x4, ExecSpace > ViewType;
+      ViewType v("v", N0, N1);
+
+      typename ViewType::HostMirror hv = Kokkos::create_mirror_view(v);
+
+      // Initialize host-view
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          hv(ti*T0 + i, tj*T1+j) = ( ti + tj*NT0 )*FT + ( i + j*T0 );
+        } }
+      } }
+
+      // copy to device
+      Kokkos::deep_copy(v, hv);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<2, Kokkos::Iterate::Left, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0}, {NT0, NT1}, {T0,T1} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 2 LL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int ti, const int tj) {
+          for ( int j = 0; j < T1; ++j ) {
+          for ( int i = 0; i < T0; ++i ) {
+            if ( (ti*T0 + i < N0) && (tj*T1 + j < N1) ) { v(ti*T0 + i, tj*T1+j) += 1; }
+          } }
+        });
+
+      Kokkos::deep_copy(hv, v);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( hv, ti, tj );
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j) != hv(ti*T0+i, tj*T1+j) ) { ++counter_subview; }
+          if ( tile_subview(i,j) != (( ti + tj*NT0 )*FT + ( i + j*T0 ) + 1 )) { ++counter_inc; }
+        } }
+      } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    }
+
+    // Create RL View
+    {
+      typedef typename Kokkos::View< Scalar**, LayoutRL_2D_2x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar**, LayoutRL_2D_2x4, ExecSpace > v("v", N0, N1);
+
+      typename ViewType::HostMirror hv = Kokkos::create_mirror_view(v);
+
+      // Initialize host-view
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          hv(ti*T0 + i, tj*T1+j) = ( ti*NT1 + tj )*FT + ( i + j*T0 );
+        } }
+      } }
+
+      // copy to device
+      Kokkos::deep_copy(v, hv);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<2, Kokkos::Iterate::Right, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0}, {NT0, NT1}, {T0,T1} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 2 RL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int ti, const int tj) {
+          for ( int j = 0; j < T1; ++j ) {
+          for ( int i = 0; i < T0; ++i ) {
+            if ( (ti*T0 + i < N0) && (tj*T1 + j < N1) ) { v(ti*T0 + i, tj*T1+j) += 1; }
+          } }
+        });
+
+      Kokkos::deep_copy(hv, v);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        auto tile_subview = Kokkos::tile_subview( hv, ti, tj );
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j) != hv(ti*T0+i, tj*T1+j) ) { ++counter_subview; }
+          if ( tile_subview(i,j) != (( ti*NT1 + tj )*FT + ( i + j*T0 ) + 1 )) { ++counter_inc; }
+        } }
+      } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create LR View
+    {
+      typedef typename Kokkos::View< Scalar**, LayoutLR_2D_2x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar**, LayoutLR_2D_2x4, ExecSpace > v("v", N0, N1);
+
+      typename ViewType::HostMirror hv = Kokkos::create_mirror_view(v);
+
+      // Initialize host-view
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          hv(ti*T0 + i, tj*T1+j) = ( ti + tj*NT0 )*FT + ( i*T1 + j );
+        } }
+      } }
+
+      // copy to device
+      Kokkos::deep_copy(v, hv);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<2, Kokkos::Iterate::Left, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0}, {NT0, NT1}, {T0,T1} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 2 LR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int ti, const int tj) {
+          for ( int j = 0; j < T1; ++j ) {
+          for ( int i = 0; i < T0; ++i ) {
+            if ( (ti*T0 + i < N0) && (tj*T1 + j < N1) ) { v(ti*T0 + i, tj*T1+j) += 1; }
+          } }
+        });
+
+      Kokkos::deep_copy(hv, v);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( hv, ti, tj );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          if ( tile_subview(i,j) != hv(ti*T0+i, tj*T1+j) ) { ++counter_subview; }
+          if ( tile_subview(i,j) != ( ( ti + tj*NT0 )*FT + ( i*T1 + j ) + 1 ) ) { ++counter_inc; }
+        } }
+      } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create RR View
+    {
+      typedef typename Kokkos::View< Scalar**, LayoutRR_2D_2x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar**, LayoutRR_2D_2x4, ExecSpace > v("v", N0, N1);
+
+      typename ViewType::HostMirror hv = Kokkos::create_mirror_view(v);
+
+      // Initialize host-view
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          hv(ti*T0 + i, tj*T1+j) = ( ti*NT1 + tj )*FT + ( i*T1 + j );
+        } }
+      } }
+
+      // copy to device
+      Kokkos::deep_copy(v, hv);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<2, Kokkos::Iterate::Left, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0}, {NT0, NT1}, {T0,T1} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 2 LR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int ti, const int tj) {
+          for ( int j = 0; j < T1; ++j ) {
+          for ( int i = 0; i < T0; ++i ) {
+            if ( (ti*T0 + i < N0) && (tj*T1 + j < N1) ) { v(ti*T0 + i, tj*T1+j) += 1; }
+          } }
+        });
+
+      Kokkos::deep_copy(hv, v);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        auto tile_subview = Kokkos::tile_subview( hv, ti, tj );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          if ( tile_subview(i,j) != hv(ti*T0+i, tj*T1+j) ) { ++counter_subview; }
+          if ( tile_subview(i,j) != ( ( ti*NT1 + tj )*FT + ( i*T1 + j ) + 1 ) ) { ++counter_inc; }
+        } }
+      } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+#endif
+#endif
+  } // end test_view_layout_tiled_2d
+
+
+  static void test_view_layout_tiled_3d( const int N0, const int N1, const int N2 )
+  {
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+
+    const int FT = T0*T1*T2;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+    const int NT2 = int( std::ceil( N2 / T2 ) );
+
+    // Create LL View
+    {
+      typedef Kokkos::View< Scalar***, LayoutLL_3D_2x4x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar***, LayoutLL_3D_2x4x4, ExecSpace > dv("dv", N0, N1, N2);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti + tj*NT0 + tk*N0*N1 )*FT + ( i + j*T0 + k*T0*T1 );
+        } } }
+      } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<3, Kokkos::Iterate::Left, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0,0}, {N0,N1,N2}, {T0,T1,T2} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 3 LL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k) {
+          dv(i,j,k) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k) != ( ( ti + tj*NT0 + tk*N0*N1 )*FT + ( i + j*T0 + k*T0*T1 ) +  1 ) ) { ++counter_inc; }
+        } } }
+      } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create RL View
+    {
+      typedef Kokkos::View< Scalar***, LayoutRL_3D_2x4x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar***, LayoutRL_3D_2x4x4, ExecSpace > dv("dv", N0, N1, N2);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i + j*T0 + k*T0*T1 );
+        } } }
+      } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<3, Kokkos::Iterate::Right, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0,0}, {N0,N1,N2}, {T0,T1,T2} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 3 RL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k) {
+          dv(i,j,k) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k) != ( ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i + j*T0 + k*T0*T1 ) + 1 ) ) { ++counter_inc; }
+        } } }
+      } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create LR View
+    {
+      typedef Kokkos::View< Scalar***, LayoutLR_3D_2x4x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar***, LayoutLR_3D_2x4x4, ExecSpace > dv("dv", N0, N1, N2);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti + tj*NT0 + tk*NT0*NT1 )*FT + ( i*T1*T2 + j*T2 + k );
+        } } }
+      } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<3, Kokkos::Iterate::Left, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0,0}, {N0,N1,N2}, {T0,T1,T2} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 3 LR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k) {
+          dv(i,j,k) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k) != ( ( ti + tj*NT0 + tk*NT0*NT1 )*FT + ( i*T1*T2 + j*T2 + k ) + 1 ) ) { ++counter_inc; }
+        } } }
+      } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create RR View
+    {
+      typedef Kokkos::View< Scalar***, LayoutRR_3D_2x4x4, ExecSpace > ViewType;
+      Kokkos::View< Scalar***, LayoutRR_3D_2x4x4, ExecSpace > dv("dv", N0, N1, N2);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i*T1*T2 + j*T2 + k );
+        } } }
+      } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<3, Kokkos::Iterate::Right, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0,0}, {N0,N1,N2}, {T0,T1,T2} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 3 RR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k) {
+          dv(i,j,k) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k) != ( ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i*T1*T2 + j*T2 + k ) + 1 ) ) { ++counter_inc; }
+        } } }
+      } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+#endif
+#endif
+  } // end test_view_layout_tiled_3d
+
+
+  static void test_view_layout_tiled_4d( const int N0, const int N1, const int N2, const int N3 )
+  {
+#if defined( KOKKOS_ENABLE_CXX11_DISPATCH_LAMBDA )
+#if !defined(KOKKOS_ENABLE_CUDA) || ( 8000 <= CUDA_VERSION )
+    const int FT = T0*T1*T2*T3;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+    const int NT2 = int( std::ceil( N2 / T2 ) );
+    const int NT3 = int( std::ceil( N3 / T3 ) );
+
+    // Create LL View
+    {
+      typedef Kokkos::View< Scalar****, LayoutLL_4D_2x4x4x2, ExecSpace > ViewType;
+      Kokkos::View< Scalar****, LayoutLL_4D_2x4x4x2, ExecSpace > dv("dv", N0, N1, N2, N3);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti + tj*NT0 + tk*N0*N1 + tl*N0*N1*N2 )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 );
+        } } } }
+      } } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<4, Kokkos::Iterate::Left, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0,0,0}, {N0,N1,N2,N3}, {T0,T1,T2,T3} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 4 LL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k, const int l) {
+          dv(i,j,k,l) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k,l) != ( ( ti + tj*NT0 + tk*N0*N1 + tl*N0*N1*N2 )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 ) + 1 ) ) { ++counter_inc; }
+        } } } }
+      } } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create RL View
+    {
+      typedef Kokkos::View< Scalar****, LayoutRL_4D_2x4x4x2, ExecSpace > ViewType;
+      Kokkos::View< Scalar****, LayoutRL_4D_2x4x4x2, ExecSpace > dv("dv", N0, N1, N2, N3);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti*NT1*NT2*N3 + tj*NT2*N3 + tk*N3 + tl )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 );
+        } } } }
+      } } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<4, Kokkos::Iterate::Right, Kokkos::Iterate::Left>, ExecSpace > mdrangepolicy( {0,0,0,0}, {N0,N1,N2,N3}, {T0,T1,T2,T3} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 4 RL", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k, const int l) {
+          dv(i,j,k,l) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k,l) != ( ( ti*NT1*NT2*N3 + tj*NT2*N3 + tk*N3 + tl )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 ) + 1 ) ) { ++counter_inc; }
+        } } } }
+      } } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create LR View
+    {
+      typedef Kokkos::View< Scalar****, LayoutLR_4D_2x4x4x2, ExecSpace > ViewType;
+      Kokkos::View< Scalar****, LayoutLR_4D_2x4x4x2, ExecSpace > dv("dv", N0, N1, N2, N3);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti + tj*NT0 + tk*NT0*NT1 + tl*NT0*NT1*NT2 )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l );
+        } } } }
+      } } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<4, Kokkos::Iterate::Left, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0,0,0}, {N0,N1,N2,N3}, {T0,T1,T2,T3} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 4 LR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k, const int l) {
+          dv(i,j,k,l) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k,l) != ( ( ti + tj*NT0 + tk*NT0*NT1 + tl*NT0*NT1*NT2 )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l ) + 1 ) ) { ++counter_inc; }
+        } } } }
+      } } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+
+    // Create RR View
+    {
+      typedef Kokkos::View< Scalar****, LayoutRR_4D_2x4x4x2, ExecSpace > ViewType;
+      Kokkos::View< Scalar****, LayoutRR_4D_2x4x4x2, ExecSpace > dv("dv", N0, N1, N2, N3);
+
+      typename ViewType::HostMirror v = Kokkos::create_mirror_view(dv);
+
+      // Initialize on host
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti*NT1*NT2*NT3 + tj*NT2*NT3 + tk*NT3 + tl )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l );
+        } } } }
+      } } } }
+
+      // copy to device
+      Kokkos::deep_copy(dv, v);
+
+      Kokkos::MDRangePolicy< Kokkos::Rank<4, Kokkos::Iterate::Right, Kokkos::Iterate::Right>, ExecSpace > mdrangepolicy( {0,0,0,0}, {N0,N1,N2,N3}, {T0,T1,T2,T3} );
+
+      // iterate by tile
+      Kokkos::parallel_for( "ViewTile rank 4 RR", mdrangepolicy, 
+        KOKKOS_LAMBDA (const int i, const int j, const int k, const int l) {
+          dv(i,j,k,l) += 1;
+        });
+
+      Kokkos::deep_copy(v, dv);
+
+      long counter_subview = 0;
+      long counter_inc = 0;
+
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter_subview; }
+          if ( tile_subview(i,j,k,l) != ( ( ti*NT1*NT2*NT3 + tj*NT2*NT3 + tk*NT3 + tl )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l ) + 1 ) ) { ++counter_inc; }
+        } } } }
+      } } } }
+      ASSERT_EQ(counter_subview, long(0));
+      ASSERT_EQ(counter_inc, long(0));
+    } // end scope
+#endif
+#endif
+  } // end test_view_layout_tiled_4d
+
+
+  static void test_view_layout_tiled_subtile_2d( const int N0, const int N1 )
+  {
+    const int FT = T0*T1;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+
+    // Counter to check for errors at the end
+    long counter[4] = {0};
+
+    // Create LL View
+    {
+      Kokkos::View< Scalar**, LayoutLL_2D_2x4, Kokkos::HostSpace > v("v", N0, N1);
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j) = ( ti + tj*NT0 )*FT + ( i + j*T0 );
+        } }
+      } }
+
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj );
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j) != v(ti*T0+i, tj*T1+j) ) { ++counter[0]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1 = " << ti*T0 + i << "," << tj*T1 + j << std::endl;
+          std::cout << "ti,tj,i,j: " << ti << "," << tj << "," << i << "," << j << "  v = " << v(ti*T0 + i, tj*T1+j) << "  flat idx = " << ( ti + tj*NT0 )*FT + ( i + j*T0 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j) << std::endl;
+#endif
+        } }
+      } }
+    } // end scope
+
+    // Create RL View
+    {
+      Kokkos::View< Scalar**, LayoutRL_2D_2x4, Kokkos::HostSpace > v("v", N0, N1);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j) = ( ti*NT1 + tj )*FT + ( i + j*T0 );
+        } }
+      } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj );
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j) != v(ti*T0+i, tj*T1+j) ) { ++counter[1]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1 = " << ti*T0 + i << "," << tj*T1 + j << std::endl;
+          std::cout << "ti,tj,i,j: " << ti << "," << tj << "," << i << "," << j << "  v = " << v(ti*T0 + i, tj*T1+j) << "  flat idx = " << ( ti*NT1 + tj )*FT + ( i + j*T0 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j) << std::endl;
+#endif
+        } }
+      } }
+    } // end scope
+
+    // Create LR View
+    {
+      Kokkos::View< Scalar**, LayoutLR_2D_2x4, Kokkos::HostSpace > v("v", N0, N1);
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          v(ti*T0 + i, tj*T1+j) = ( ti + tj*NT0 )*FT + ( i*T1 + j );
+        } }
+      } }
+
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          if ( tile_subview(i,j) != v(ti*T0+i, tj*T1+j) ) { ++counter[2]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1 = " << ti*T0 + i << "," << tj*T1 + j << std::endl;
+          std::cout << "ti,tj,i,j: " << ti << "," << tj << "," << i << "," << j << "  v = " << v(ti*T0 + i, tj*T1+j) << "  flat idx = " << ( ti + tj*NT0 )*FT + ( i*T1 + j ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j) << std::endl;
+#endif
+        } }
+      } }
+    } // end scope
+
+    // Create RR View
+    {
+      Kokkos::View< Scalar**, LayoutRR_2D_2x4, Kokkos::HostSpace > v("v", N0, N1);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          v(ti*T0 + i, tj*T1+j) = ( ti*NT1 + tj )*FT + ( i*T1 + j );
+        } }
+      } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+          if ( tile_subview(i,j) != v(ti*T0+i, tj*T1+j) ) { ++counter[3]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1 = " << ti*T0 + i << "," << tj*T1 + j << std::endl;
+          std::cout << "ti,tj,i,j: " << ti << "," << tj << "," << i << "," << j << "  v = " << v(ti*T0 + i, tj*T1+j) << "  flat idx = " << ( ti*NT1 + tj )*FT + ( i*T1 + j ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } }
+      } }
+    } // end scope
+
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+    std::cout << "subview_tile vs view errors:\n"
+      << " LL: " << counter[0]
+      << " RL: " << counter[1]
+      << " LR: " << counter[2]
+      << " RR: " << counter[3] 
+      << std::endl;
+#endif
+
+    ASSERT_EQ(counter[0], long(0));
+    ASSERT_EQ(counter[1], long(0));
+    ASSERT_EQ(counter[2], long(0));
+    ASSERT_EQ(counter[3], long(0));
+  } // end test_view_layout_tiled_subtile_2d
+
+
+  static void test_view_layout_tiled_subtile_3d( const int N0, const int N1, const int N2 )
+  {
+
+    const int FT = T0*T1*T2;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+    const int NT2 = int( std::ceil( N2 / T2 ) );
+
+    // Counter to check for errors at the end
+    long counter[4] = {0};
+    // Create LL View
+    {
+      Kokkos::View< Scalar***, LayoutLL_3D_2x4x4, Kokkos::HostSpace > v("v", N0, N1, N2);
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti + tj*NT0 + tk*N0*N1 )*FT + ( i + j*T0 + k*T0*T1 );
+        } } }
+      } } }
+
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter[0]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << std::endl;
+          std::cout << "ti,tj,tk,i,j,k: " << ti << "," << tj << "," << tk << "," << i << "," << j << "," << k << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k) << "  flat idx = " << ( ti + tj*NT0 + tk*N0*N1 )*FT + ( i + j*T0 + k*T0*T1 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } }
+      } } }
+    } // end scope
+
+    // Create RL View
+    {
+      Kokkos::View< Scalar***, LayoutRL_3D_2x4x4, Kokkos::HostSpace > v("v", N0, N1, N2);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i + j*T0 + k*T0*T1 );
+        } } }
+      } } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter[1]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << std::endl;
+          std::cout << "ti,tj,tk,i,j,k: " << ti << "," << tj << "," << tk << "," << i << "," << j << "," << k << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k) << "  flat idx = " << ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i + j*T0 + k*T0*T1 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k) << std::endl;
+#endif
+        } } }
+      } } }
+    } // end scope
+
+    // Create LR View
+    {
+      Kokkos::View< Scalar***, LayoutLR_3D_2x4x4, Kokkos::HostSpace > v("v", N0, N1, N2);
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti + tj*NT0 + tk*NT0*NT1 )*FT + ( i*T1*T2 + j*T2 + k );
+        } } }
+      } } }
+
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter[2]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << std::endl;
+          std::cout << "ti,tj,tk,i,j,k: " << ti << "," << tj << "," << tk << "," << i << "," << j << "," << k << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k) << "  flat idx = " << ( ti + tj*NT0 + tk*NT0*NT1 )*FT + ( i*T1*T2 + j*T2 + k ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } }
+      } } }
+    } // end scope
+
+    // Create RR View
+    {
+      Kokkos::View< Scalar***, LayoutRR_3D_2x4x4, Kokkos::HostSpace > v("v", N0, N1, N2);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k) = ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i*T1*T2 + j*T2 + k );
+        } } }
+      } } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+          if ( tile_subview(i,j,k) != v(ti*T0+i, tj*T1+j, tk*T2+k) ) { ++counter[3]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << std::endl;
+          std::cout << "ti,tj,tk,i,j,k: " << ti << "," << tj << "," << tk << "," << i << "," << j << "," << k << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k) << "  flat idx = " << ( ti*NT1*NT2 + tj*NT2 + tk )*FT + ( i*T1*T2 + j*T2 + k ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } }
+      } } }
+    } // end scope
+
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+    std::cout << "subview_tile vs view errors:\n"
+      << " LL: " << counter[0]
+      << " RL: " << counter[1]
+      << " LR: " << counter[2]
+      << " RR: " << counter[3] 
+      << std::endl;
+#endif
+
+    ASSERT_EQ(counter[0], long(0));
+    ASSERT_EQ(counter[1], long(0));
+    ASSERT_EQ(counter[2], long(0));
+    ASSERT_EQ(counter[3], long(0));
+
+  } // end test_view_layout_tiled_subtile_3d
+
+
+  static void test_view_layout_tiled_subtile_4d( const int N0, const int N1, const int N2, const int N3 )
+  {
+    const int FT = T0*T1*T2*T3;
+
+    const int NT0 = int( std::ceil( N0 / T0 ) );
+    const int NT1 = int( std::ceil( N1 / T1 ) );
+    const int NT2 = int( std::ceil( N2 / T2 ) );
+    const int NT3 = int( std::ceil( N3 / T3 ) );
+
+    // Counter to check for errors at the end
+    long counter[4] = {0};
+    // Create LL View
+    {
+      Kokkos::View< Scalar****, LayoutLL_4D_2x4x4x2, Kokkos::HostSpace > v("v", N0, N1, N2, N3);
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti + tj*NT0 + tk*N0*N1 + tl*N0*N1*N2 )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 );
+        } } } }
+      } } } }
+
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter[0]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2,idx3 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << "," << tl*T3 + l<< std::endl;
+          std::cout << "ti,tj,tk,tl: " << ti << "," << tj << "," << tk << "," << tl << ","
+          << "  i,j,k,l: " <<  i << "," << j << "," << k << "," << l
+          << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) 
+          << "  flat idx = " << ( ti + tj*NT0 + tk*N0*N1 + tl*N0*N1*N2 )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k,l) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } } }
+      } } } }
+    } // end scope
+
+    // Create RL View
+    {
+      Kokkos::View< Scalar****, LayoutRL_4D_2x4x4x2, Kokkos::HostSpace > v("v", N0, N1, N2, N3);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti*NT1*NT2*N3 + tj*NT2*N3 + tk*N3 + tl )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 );
+        } } } }
+      } } } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int l = 0; l < T3; ++l ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int i = 0; i < T0; ++i ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter[1]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2,idx3 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << "," << tl*T3 + l<< std::endl;
+          std::cout << "ti,tj,tk,tl: " << ti << "," << tj << "," << tk << "," << tl << ","
+          << "  i,j,k,l: " <<  i << "," << j << "," << k << "," << l
+          << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) 
+          << "  flat idx = " << ( ti*NT1*NT2*N3 + tj*NT2*N3 + tk*N3 + tl )*FT + ( i + j*T0 + k*T0*T1 + l*T0*T1*T2 ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k,l) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } } }
+      } } } }
+    } // end scope
+
+    // Create LR View
+    {
+      Kokkos::View< Scalar****, LayoutLR_4D_2x4x4x2, Kokkos::HostSpace > v("v", N0, N1, N2, N3);
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti + tj*NT0 + tk*NT0*NT1 + tl*NT0*NT1*NT2 )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l );
+        } } } }
+      } } } }
+
+      for ( int tl = 0; tl < NT3; ++tl ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int ti = 0; ti < NT0; ++ti ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter[2]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2,idx3 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << "," << tl*T3 + l<< std::endl;
+          std::cout << "ti,tj,tk,tl: " << ti << "," << tj << "," << tk << "," << tl << ","
+          << "  i,j,k,l: " <<  i << "," << j << "," << k << "," << l
+          << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) 
+          << "  flat idx = " << ( ti + tj*NT0 + tk*NT0*NT1 + tl*NT0*NT1*NT2 )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k,l) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } } }
+      } } } }
+    } // end scope
+
+    // Create RR View
+    {
+      Kokkos::View< Scalar****, LayoutRR_4D_2x4x4x2, Kokkos::HostSpace > v("v", N0, N1, N2, N3);
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) = ( ti*NT1*NT2*NT3 + tj*NT2*NT3 + tk*NT3 + tl )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l );
+        } } } }
+      } } } }
+
+      for ( int ti = 0; ti < NT0; ++ti ) {
+      for ( int tj = 0; tj < NT1; ++tj ) {
+      for ( int tk = 0; tk < NT2; ++tk ) {
+      for ( int tl = 0; tl < NT3; ++tl ) {
+        auto tile_subview = Kokkos::tile_subview( v, ti, tj, tk, tl );
+        for ( int i = 0; i < T0; ++i ) {
+        for ( int j = 0; j < T1; ++j ) {
+        for ( int k = 0; k < T2; ++k ) {
+        for ( int l = 0; l < T3; ++l ) {
+          if ( tile_subview(i,j,k,l) != v(ti*T0+i, tj*T1+j, tk*T2+k, tl*T3 + l) ) { ++counter[3]; }
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+          std::cout << "idx0,idx1,idx2,idx3 = " << ti*T0 + i << "," << tj*T1 + j << "," << tk*T2 + k << "," << tl*T3 + l<< std::endl;
+          std::cout << "ti,tj,tk,tl: " << ti << "," << tj << "," << tk << "," << tl << ","
+          << "  i,j,k,l: " <<  i << "," << j << "," << k << "," << l
+          << "  v = " << v(ti*T0 + i, tj*T1+j, tk*T2 + k, tl*T3 + l) 
+          << "  flat idx = " << ( ti*NT1*NT2*NT3 + tj*NT2*NT3 + tk*NT3 + tl )*FT + ( i*T1*T2*T3 + j*T2*T3 + k*T3 + l ) << std::endl;
+          std::cout << "subview_tile output = " << tile_subview(i,j,k,l) << std::endl;
+          std::cout << "subview tile rank = " << Kokkos::rank(tile_subview) << std::endl;
+#endif
+        } } } }
+      } } } }
+    } // end scope
+
+#ifdef KOKKOS_VERBOSE_LAYOUTTILED_OUTPUT
+    std::cout << "subview_tile vs view errors:\n"
+      << " LL: " << counter[0]
+      << " RL: " << counter[1]
+      << " LR: " << counter[2]
+      << " RR: " << counter[3] 
+      << std::endl;
+#endif
+
+    ASSERT_EQ(counter[0], long(0));
+    ASSERT_EQ(counter[1], long(0));
+    ASSERT_EQ(counter[2], long(0));
+    ASSERT_EQ(counter[3], long(0));
+
+  } // end test_view_layout_tiled_subtile_4d
+
+}; // end TestViewLayoutTiled struct
+
+} // namespace
+
+TEST_F( TEST_CATEGORY , view_layouttiled) {
+  // These two examples are iterating by tile, then within a tile - not by extents
+  // If N# is not a power of two, but want to iterate by tile then within a tile, need to check that mapped index is within extent
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_2d( 4, 12 );
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_3d( 4, 12, 16 );
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_4d( 4, 12, 16, 12 );
+}
+TEST_F( TEST_CATEGORY , view_layouttiled_subtile) {
+  // These two examples are iterating by tile, then within a tile - not by extents
+  // If N# is not a power of two, but want to iterate by tile then within a tile, need to check that mapped index is within extent
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_subtile_2d( 4, 12 );
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_subtile_3d( 4, 12, 16 );
+  TestViewLayoutTiled< TEST_EXECSPACE >::test_view_layout_tiled_subtile_4d( 4, 12, 16, 12 );
+}
+#endif
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/cuda/TestCudaHostPinned_ViewCopy.cpp b/lib/kokkos/core/unit_test/cuda/TestCudaHostPinned_ViewCopy.cpp
new file mode 100644
index 0000000000..3748592355
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCudaHostPinned_ViewCopy.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCudaHostPinned_Category.hpp>
+#include <TestViewCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCudaUVM_ViewCopy.cpp b/lib/kokkos/core/unit_test/cuda/TestCudaUVM_ViewCopy.cpp
new file mode 100644
index 0000000000..b0ea67a1b5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCudaUVM_ViewCopy.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCudaUVM_Category.hpp>
+#include <TestViewCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_Other.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_Other.cpp
index f63409da29..788e458eea 100644
--- a/lib/kokkos/core/unit_test/cuda/TestCuda_Other.cpp
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_Other.cpp
@@ -50,3 +50,4 @@
 #include<TestTile.hpp>
 
 #include<TestViewCtorPropEmbeddedDim.hpp>
+#include<TestViewLayoutTiled.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_Reductions_DeviceView.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_Reductions_DeviceView.cpp
new file mode 100644
index 0000000000..5b34090149
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_Reductions_DeviceView.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCuda_Category.hpp>
+#include <TestReduceDeviceView.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_Team.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_Team.cpp
index c633585096..3740683450 100644
--- a/lib/kokkos/core/unit_test/cuda/TestCuda_Team.cpp
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_Team.cpp
@@ -68,6 +68,22 @@ TEST_F( TEST_CATEGORY, team_reduce )
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 1000 );
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 1000 );
 }
+
+TEST_F( TEST_CATEGORY, team_broadcast )
+{
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 0 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 0 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 2 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 2 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 16 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 16 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 1000 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 1000 );
+}
+
 }
 
 #include <TestTeamVector.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_TeamScratch.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamScratch.cpp
index 879633b0c8..dcb6896b8f 100644
--- a/lib/kokkos/core/unit_test/cuda/TestCuda_TeamScratch.cpp
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamScratch.cpp
@@ -65,6 +65,10 @@ TEST_F( TEST_CATEGORY, team_lambda_shared_request )
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
 }
+
+TEST_F( TEST_CATEGORY, scratch_align) {
+  TestScratchAlignment< TEST_EXECSPACE >();
+}
 #endif
 #endif
 
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_TeamTeamSize.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamTeamSize.cpp
new file mode 100644
index 0000000000..7e61e0810b
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_TeamTeamSize.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCuda_Category.hpp>
+#include <TestTeamTeamSize.hpp>
diff --git a/lib/kokkos/core/unit_test/cuda/TestCuda_ViewLayoutStrideAssignment.cpp b/lib/kokkos/core/unit_test/cuda/TestCuda_ViewLayoutStrideAssignment.cpp
new file mode 100644
index 0000000000..2732cd4baa
--- /dev/null
+++ b/lib/kokkos/core/unit_test/cuda/TestCuda_ViewLayoutStrideAssignment.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <cuda/TestCuda_Category.hpp>
+#include <TestViewLayoutStrideAssignment.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_Other.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Other.cpp
index 566891bb35..0ddd67acf9 100644
--- a/lib/kokkos/core/unit_test/openmp/TestOpenMP_Other.cpp
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Other.cpp
@@ -50,6 +50,7 @@
 #include<TestTile.hpp>
 
 #include<TestViewCtorPropEmbeddedDim.hpp>
+#include<TestViewLayoutTiled.hpp>
 
 #include <mutex>
 
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_Reductions_DeviceView.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Reductions_DeviceView.cpp
new file mode 100644
index 0000000000..99fe5842cb
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Reductions_DeviceView.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmp/TestOpenMP_Category.hpp>
+#include <TestReduceDeviceView.hpp>
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_Team.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Team.cpp
index 790ea9e6da..e5b900ac58 100644
--- a/lib/kokkos/core/unit_test/openmp/TestOpenMP_Team.cpp
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_Team.cpp
@@ -68,6 +68,21 @@ TEST_F( TEST_CATEGORY, team_reduce )
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 1000 );
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 1000 );
 }
+
+TEST_F( TEST_CATEGORY, team_broadcast )
+{
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 0 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 0 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 2 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 2 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 16 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 16 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 1000 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 1000 );
+}
 }
 
 #include <TestTeamVector.hpp>
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamScratch.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamScratch.cpp
index f57da139a6..64d7575339 100644
--- a/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamScratch.cpp
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamScratch.cpp
@@ -65,6 +65,9 @@ TEST_F( TEST_CATEGORY, team_lambda_shared_request )
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
 }
+TEST_F( TEST_CATEGORY, scratch_align) {
+  TestScratchAlignment< TEST_EXECSPACE >();
+}
 #endif
 #endif
 
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamTeamSize.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamTeamSize.cpp
new file mode 100644
index 0000000000..a98728f02c
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_TeamTeamSize.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmp/TestOpenMP_Category.hpp>
+#include <TestTeamTeamSize.hpp>
+
diff --git a/lib/kokkos/core/unit_test/openmp/TestOpenMP_ViewLayoutStrideAssignment.cpp b/lib/kokkos/core/unit_test/openmp/TestOpenMP_ViewLayoutStrideAssignment.cpp
new file mode 100644
index 0000000000..81b296d15d
--- /dev/null
+++ b/lib/kokkos/core/unit_test/openmp/TestOpenMP_ViewLayoutStrideAssignment.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <openmp/TestOpenMP_Category.hpp>
+#include <TestViewLayoutStrideAssignment.hpp>
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCmHostPinned_ViewCopy.cpp b/lib/kokkos/core/unit_test/rocm/TestROCmHostPinned_ViewCopy.cpp
new file mode 100644
index 0000000000..4636691d99
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCmHostPinned_ViewCopy.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <rocm/TestROCmHostPinned_Category.hpp>
+#include <TestViewCopy.hpp>
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_Crs.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_Crs.cpp
new file mode 100644
index 0000000000..05a90da83b
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_Crs.cpp
@@ -0,0 +1,47 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestCrs.hpp>
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_a.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_a.cpp
new file mode 100644
index 0000000000..23edcbcc31
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_a.cpp
@@ -0,0 +1,54 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestMDRange.hpp>
+namespace Test {
+
+TEST_F( TEST_CATEGORY , mdrange_5d_reduce ) {
+  TestMDRange_5D< TEST_EXECSPACE >::test_reduce5( 100, 10, 10, 10, 5 );
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_b.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_b.cpp
new file mode 100644
index 0000000000..5f02e893a9
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_b.cpp
@@ -0,0 +1,54 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestMDRange.hpp>
+namespace Test {
+
+TEST_F( TEST_CATEGORY , mdrange_6d_reduce ) {
+  TestMDRange_6D< TEST_EXECSPACE >::test_reduce6( 10, 10, 10, 10, 10, 5 );
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_c.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_c.cpp
new file mode 100644
index 0000000000..6a84962d16
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_c.cpp
@@ -0,0 +1,54 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestMDRange.hpp>
+namespace Test {
+
+TEST_F( TEST_CATEGORY , mdrange_2d_reduce ) {
+  TestMDRange_2D< TEST_EXECSPACE >::test_reduce2( 100, 100 );
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_d.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_d.cpp
new file mode 100644
index 0000000000..c6c6ba2918
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_d.cpp
@@ -0,0 +1,54 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestMDRange.hpp>
+namespace Test {
+
+TEST_F( TEST_CATEGORY , mdrange_3d_reduce ) {
+  TestMDRange_3D< TEST_EXECSPACE >::test_reduce3( 100, 100, 5 );
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_e.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_e.cpp
new file mode 100644
index 0000000000..6afd8b8ece
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_MDRangeReduce_e.cpp
@@ -0,0 +1,54 @@
+
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include<rocm/TestROCm_Category.hpp>
+#include<TestMDRange.hpp>
+namespace Test {
+
+TEST_F( TEST_CATEGORY , mdrange_4d_reduce ) {
+  TestMDRange_4D< TEST_EXECSPACE >::test_reduce4( 100, 100, 10, 5 );
+}
+
+}
+
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_c13.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_c13.cpp
new file mode 100644
index 0000000000..03b39972a3
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_SubView_c13.cpp
@@ -0,0 +1,54 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <rocm/TestROCmHostPinned_Category.hpp>
+#include <TestViewSubview.hpp>
+
+namespace Test {
+
+TEST_F( TEST_CATEGORY, view_test_unmanaged_subview_reset )
+{
+  TestViewSubview::test_unmanaged_subview_reset< TEST_EXECSPACE >();
+}
+
+} // namespace Test
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_TeamReductionScan.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamReductionScan.cpp
index e1025f1baa..57887450e2 100644
--- a/lib/kokkos/core/unit_test/rocm/TestROCm_TeamReductionScan.cpp
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamReductionScan.cpp
@@ -46,7 +46,6 @@
 
 namespace Test {
 
-#if !defined(KOKKOS_ROCM_CLANG_WORKAROUND)
 TEST_F( TEST_CATEGORY, team_scan )
 {
   TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 0 );
@@ -56,7 +55,6 @@ TEST_F( TEST_CATEGORY, team_scan )
   TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >( 10000 );
   TestScanTeam< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >( 10000 );
 }
-#endif
 
 TEST_F( TEST_CATEGORY, team_long_reduce )
 {
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_TeamScratch.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamScratch.cpp
index 1968ab31ea..c7255919d9 100644
--- a/lib/kokkos/core/unit_test/rocm/TestROCm_TeamScratch.cpp
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamScratch.cpp
@@ -65,6 +65,10 @@ TEST_F( TEST_CATEGORY, team_lambda_shared_request )
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
 }
+
+TEST_F( TEST_CATEGORY, scratch_align) {
+  TestScratchAlignment< TEST_EXECSPACE >();
+}
 #endif
 #endif
 
diff --git a/lib/kokkos/core/unit_test/rocm/TestROCm_TeamTeamSize.cpp b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamTeamSize.cpp
new file mode 100644
index 0000000000..583e01fcb6
--- /dev/null
+++ b/lib/kokkos/core/unit_test/rocm/TestROCm_TeamTeamSize.cpp
@@ -0,0 +1,49 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+// Doesn't work right now due to bug with static sized array member
+
+//#include <rocm/TestROCm_Category.hpp>
+//#ifndef KOKKOS_IMPL_ROCM_CLANG_WORKAROUND
+//#include <TestTeamTeamSize.hpp>
+//#endif
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_Other.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_Other.cpp
index 0c3bae3774..26a218c5c1 100644
--- a/lib/kokkos/core/unit_test/serial/TestSerial_Other.cpp
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_Other.cpp
@@ -50,3 +50,4 @@
 #include<TestTile.hpp>
 
 #include<TestViewCtorPropEmbeddedDim.hpp>
+#include<TestViewLayoutTiled.hpp>
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_Reductions_DeviceView.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_Reductions_DeviceView.cpp
new file mode 100644
index 0000000000..1c20670c28
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_Reductions_DeviceView.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <serial/TestSerial_Category.hpp>
+#include <TestReduceDeviceView.hpp>
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_Team.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_Team.cpp
index 619cb727ac..47d02f7001 100644
--- a/lib/kokkos/core/unit_test/serial/TestSerial_Team.cpp
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_Team.cpp
@@ -68,6 +68,21 @@ TEST_F( TEST_CATEGORY, team_reduce )
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 1000 );
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 1000 );
 }
+
+TEST_F( TEST_CATEGORY, team_broadcast )
+{
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 0 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 0 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 2 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 2 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 16 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 16 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 1000 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 1000 );
+}
 }
 
 #include <TestTeamVector.hpp>
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_TeamScratch.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_TeamScratch.cpp
index 963908c92d..029999ab72 100644
--- a/lib/kokkos/core/unit_test/serial/TestSerial_TeamScratch.cpp
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_TeamScratch.cpp
@@ -65,6 +65,10 @@ TEST_F( TEST_CATEGORY, team_lambda_shared_request )
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
 }
+
+TEST_F( TEST_CATEGORY, scratch_align) {
+  TestScratchAlignment< TEST_EXECSPACE >();
+}
 #endif
 #endif
 
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_TeamTeamSize.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_TeamTeamSize.cpp
new file mode 100644
index 0000000000..53451b30c9
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_TeamTeamSize.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <serial/TestSerial_Category.hpp>
+#include <TestTeamTeamSize.hpp>
diff --git a/lib/kokkos/core/unit_test/serial/TestSerial_ViewLayoutStrideAssignment.cpp b/lib/kokkos/core/unit_test/serial/TestSerial_ViewLayoutStrideAssignment.cpp
new file mode 100644
index 0000000000..64c5b642d8
--- /dev/null
+++ b/lib/kokkos/core/unit_test/serial/TestSerial_ViewLayoutStrideAssignment.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <serial/TestSerial_Category.hpp>
+#include <TestViewLayoutStrideAssignment.hpp>
+
diff --git a/lib/kokkos/core/unit_test/standalone/Makefile b/lib/kokkos/core/unit_test/standalone/Makefile
new file mode 100644
index 0000000000..f8a75616c5
--- /dev/null
+++ b/lib/kokkos/core/unit_test/standalone/Makefile
@@ -0,0 +1,55 @@
+KOKKOS_DEVICES=Cuda
+KOKKOS_CUDA_OPTIONS=enable_lambda
+KOKKOS_ARCH = "SNB,Kepler35"
+
+MAKEFILE_PATH := $(subst Makefile,,$(abspath $(lastword $(MAKEFILE_LIST))))
+
+ifndef KOKKOS_PATH
+  KOKKOS_PATH = $(MAKEFILE_PATH)../../../
+endif
+
+SRC = $(wildcard $(MAKEFILE_PATH)*.cpp)
+HEADERS = $(wildcard $(MAKEFILE_PATH)*.hpp)
+HEADERS = $(wildcard $(MAKEFILE_PATH)/../*.hpp)
+
+vpath %.cpp $(sort $(dir $(SRC)))
+
+default: build
+	echo "Start Build"
+
+ifneq (,$(findstring Cuda,$(KOKKOS_DEVICES)))
+CXX = ${KOKKOS_PATH}/bin/nvcc_wrapper
+EXE = test.cuda
+else
+CXX = g++
+EXE = test.host
+endif
+
+CXXFLAGS ?= -O3 -g
+override CXXFLAGS += -I$(MAKEFILE_PATH) -I$(KOKKOS_PATH)/core/unit_test -I$(KOKKOS_PATH)/tpls/gtest -DTESTFILE=$(TESTFILE)
+#SRC += $(KOKKOS_PATH)/tpls/gtest/gtest/gtest-all.cc
+
+DEPFLAGS = -M
+LINK = ${CXX}
+LINKFLAGS =
+
+OBJ = $(notdir $(SRC:.cpp=.o))
+LIB =
+
+include $(KOKKOS_PATH)/Makefile.kokkos
+
+build: $(EXE)
+
+$(EXE): $(OBJ) $(KOKKOS_LINK_DEPENDS) gtest-all.o
+	$(LINK) $(KOKKOS_LDFLAGS) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(KOKKOS_LIBS) $(LIB) gtest-all.o  -o $(EXE)
+
+clean: kokkos-clean
+	rm -f *.o *.cuda *.host
+
+# Compilation rules
+
+%.o:%.cpp $(KOKKOS_CPP_DEPENDS) $(HEADERS)
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) $(EXTRA_INC) -c $< -o $(notdir $@)
+
+gtest-all.o:$(KOKKOS_PATH)/tpls/gtest/gtest/gtest-all.cc
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) $(EXTRA_INC) -c $(KOKKOS_PATH)/tpls/gtest/gtest/gtest-all.cc
diff --git a/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp b/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
new file mode 100644
index 0000000000..2db51658cd
--- /dev/null
+++ b/lib/kokkos/core/unit_test/standalone/UnitTestMainInit.cpp
@@ -0,0 +1,71 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <gtest/gtest.h>
+#include <cstdlib>
+
+#include <Kokkos_Core.hpp>
+
+#ifdef KOKKOS_ENABLE_ROCM
+#include <rocm/TestROCm_Category.hpp>
+#endif
+#ifdef KOKKOS_ENABLE_CUDA
+#include <cuda/TestCuda_Category.hpp>
+#endif
+#ifdef KOKKOS_ENABLE_OPENMP
+#include <openmp/TestOpenMP_Category.hpp>
+#endif
+#ifdef KOKKOS_ENABLE_THREADS
+#include <threads/TestThreads_Category.hpp>
+#endif
+
+#include <TestMemoryPool.hpp>
+
+int main( int argc, char *argv[] ) {
+  Kokkos::initialize(argc,argv);
+  ::testing::InitGoogleTest( &argc, argv );
+
+  int result =  RUN_ALL_TESTS();
+  Kokkos::finalize();
+  return result;
+}
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_Other.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_Other.cpp
index a0c8b41597..13786aa4a6 100644
--- a/lib/kokkos/core/unit_test/threads/TestThreads_Other.cpp
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_Other.cpp
@@ -50,3 +50,4 @@
 #include<TestTile.hpp>
 
 #include<TestViewCtorPropEmbeddedDim.hpp>
+#include<TestViewLayoutTiled.hpp>
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_Reductions_DeviceView.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_Reductions_DeviceView.cpp
new file mode 100644
index 0000000000..28f4b7d579
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_Reductions_DeviceView.cpp
@@ -0,0 +1,45 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <threads/TestThreads_Category.hpp>
+#include <TestReduceDeviceView.hpp>
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_Team.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_Team.cpp
index b87c1f77d3..63d2509355 100644
--- a/lib/kokkos/core/unit_test/threads/TestThreads_Team.cpp
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_Team.cpp
@@ -68,6 +68,21 @@ TEST_F( TEST_CATEGORY, team_reduce )
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_reduce( 1000 );
   TestTeamPolicy< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_reduce( 1000 );
 }
+
+TEST_F( TEST_CATEGORY, team_broadcast )
+{
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 0 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 0 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 2 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 2 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 16 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 16 );
+
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >::test_teambroadcast( 1000 );
+  TestTeamBroadcast< TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >::test_teambroadcast( 1000 );
+}
 }
 
 #include <TestTeamVector.hpp>
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_TeamScratch.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_TeamScratch.cpp
index c07fae77c3..d171195798 100644
--- a/lib/kokkos/core/unit_test/threads/TestThreads_TeamScratch.cpp
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_TeamScratch.cpp
@@ -65,6 +65,10 @@ TEST_F( TEST_CATEGORY, team_lambda_shared_request )
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Static> >();
   TestLambdaSharedTeam< Kokkos::HostSpace, TEST_EXECSPACE, Kokkos::Schedule<Kokkos::Dynamic> >();
 }
+
+TEST_F( TEST_CATEGORY, scratch_align) {
+  TestScratchAlignment< TEST_EXECSPACE >();
+}
 #endif
 #endif
 
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_TeamTeamSize.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_TeamTeamSize.cpp
new file mode 100644
index 0000000000..b1cf4ec875
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_TeamTeamSize.cpp
@@ -0,0 +1,47 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <threads/TestThreads_Category.hpp>
+#include <TestTeamTeamSize.hpp>
+
+
diff --git a/lib/kokkos/core/unit_test/threads/TestThreads_ViewLayoutStrideAssignment.cpp b/lib/kokkos/core/unit_test/threads/TestThreads_ViewLayoutStrideAssignment.cpp
new file mode 100644
index 0000000000..5ddd07108b
--- /dev/null
+++ b/lib/kokkos/core/unit_test/threads/TestThreads_ViewLayoutStrideAssignment.cpp
@@ -0,0 +1,46 @@
+/*
+//@HEADER
+// ************************************************************************
+//
+//                        Kokkos v. 2.0
+//              Copyright (2014) Sandia Corporation
+//
+// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
+// the U.S. Government retains certain rights in this software.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
+//
+// ************************************************************************
+//@HEADER
+*/
+
+#include <threads/TestThreads_Category.hpp>
+#include <TestViewLayoutStrideAssignment.hpp>
+
diff --git a/lib/kokkos/doc/kokkos-promotion.txt b/lib/kokkos/doc/kokkos-promotion.txt
index 5a1306eccf..0aede5f328 100644
--- a/lib/kokkos/doc/kokkos-promotion.txt
+++ b/lib/kokkos/doc/kokkos-promotion.txt
@@ -149,7 +149,9 @@ Step 5: This step can be done on any SEMS machine (e.g. kokkos-dev). Actually, t
         git clone -b kokkos-develop git@github.com:trilinos/Trilinos.git
         TRILINOS_PATH=$PWD/Trilinos
 
-  5.2. Snapshot Kokkos into Trilinos - this requires python/2.7.9 and that both Trilinos and Kokkos be clean - no untracked or modified files. Run the following outside of the Kokkos and Trilinos source trees.
+  5.2. Snapshot Kokkos into Trilinos - this requires python/2.7.9 and that both Trilinos and Kokkos be clean - no untracked or modified files. Run the following outside of the Kokkos and Trilinos source trees. 
+
+      * Use the master branch of Kokkos for this.
 
         module load sems-python/2.7.9
         python $KOKKOS_PATH/scripts/snapshot.py $KOKKOS_PATH $TRILINOS_PATH/packages
@@ -173,20 +175,22 @@ Step 5: This step can be done on any SEMS machine (e.g. kokkos-dev). Actually, t
 
        ## KokkosKernels Changelog
 
-  5.4. Run checkin-test to push to trilinos using the CI build modules (gcc/4.9.3)
-
-       cd $TRILINOS_PATH
-       mkdir CHECKIN
-       cd CHECKIN
-       nohup ../cmake/std/sems/checkin-test-sems.sh --do-all --push &
-
-       Although Trilinos has experimental Pull Request testing, it is not good enough to replace the checkin script yet.
+  5.4. Wait for Trilinos Autotester results
 
   5.5. If there are failures, fix and backtrack. Otherwise, go to next step
 
 // -------------------------------------------------------------------------------- //
 
-Step 6: Push Kokkos master to GitHub (requires Owner permission).
+Step 6: Push Kokkos master and develop to GitHub (requires Owner permission).
       
+  6.1. Master branch:
        cd KOKKOS_PATH
+       git checkout master
        git push --follow-tags origin master 
+
+  6.2. Develop branch: First merge (--no-ff) master back into develop
+       cd KOKKOS_PATH
+       git checkout develop
+       git merge --no-ff maseter
+       git push origin develop 
+
diff --git a/lib/kokkos/example/tutorial/Hierarchical_Parallelism/01_thread_teams/thread_teams.cpp b/lib/kokkos/example/tutorial/Hierarchical_Parallelism/01_thread_teams/thread_teams.cpp
index ff3002e645..e8c1550fc6 100644
--- a/lib/kokkos/example/tutorial/Hierarchical_Parallelism/01_thread_teams/thread_teams.cpp
+++ b/lib/kokkos/example/tutorial/Hierarchical_Parallelism/01_thread_teams/thread_teams.cpp
@@ -81,13 +81,22 @@ int main(int narg, char* args[]) {
   Kokkos::initialize(narg,args);
 
   // Launch 12 teams of the maximum number of threads per team
-  const team_policy policy( 12 , team_policy::team_size_max( hello_world() ) );
-  
-  int sum = 0;
-  Kokkos::parallel_reduce( policy , hello_world() , sum );
+  const int team_size_max = team_policy(1,1).team_size_max(hello_world(), Kokkos::ParallelReduceTag());
+  const team_policy policy_a( 12 , team_size_max );
 
-  // The result will be 12*team_policy::team_size_max( hello_world())
-  printf("Result %i\n",sum);
+  int sum = 0;
+  Kokkos::parallel_reduce( policy_a , hello_world() , sum );
+
+  // The result will be 12*team_size_max
+  printf("Result A: %i == %i\n",sum, team_size_max*12);
+
+  // In practice it is often better to let Kokkos decide on the team_size
+  const team_policy policy_b( 12 , Kokkos::AUTO );
+
+  Kokkos::parallel_reduce( policy_b , hello_world() , sum );
+  // The result will be 12*policy_b.team_size_recommended( hello_world(),  Kokkos::ParallelReduceTag())
+  const int team_size_recommended = policy_b.team_size_recommended( hello_world(),  Kokkos::ParallelReduceTag());
+  printf("Result B: %i %i\n",sum, team_size_recommended*12);
 
   Kokkos::finalize();
 }
diff --git a/lib/kokkos/example/tutorial/Hierarchical_Parallelism/02_nested_parallel_for/nested_parallel_for.cpp b/lib/kokkos/example/tutorial/Hierarchical_Parallelism/02_nested_parallel_for/nested_parallel_for.cpp
index 721aab2d3e..bbb1000e90 100644
--- a/lib/kokkos/example/tutorial/Hierarchical_Parallelism/02_nested_parallel_for/nested_parallel_for.cpp
+++ b/lib/kokkos/example/tutorial/Hierarchical_Parallelism/02_nested_parallel_for/nested_parallel_for.cpp
@@ -79,7 +79,8 @@ int main(int narg, char* args[]) {
   Kokkos::initialize(narg,args);
 
   // Launch 3 teams of the maximum number of threads per team
-  const team_policy policy( 3 , team_policy::team_size_max( hello_world() ) );
+  const int team_size_max = team_policy(3,1).team_size_max( hello_world(), Kokkos::ParallelReduceTag());
+  const team_policy policy( 3 , team_size_max );
   
   int sum = 0;
   Kokkos::parallel_reduce( policy , hello_world() , sum );
diff --git a/lib/kokkos/example/virtual_functions/Makefile b/lib/kokkos/example/virtual_functions/Makefile
new file mode 100644
index 0000000000..06186786c2
--- /dev/null
+++ b/lib/kokkos/example/virtual_functions/Makefile
@@ -0,0 +1,55 @@
+KOKKOS_DEVICES=Cuda
+KOKKOS_CUDA_OPTIONS=enable_lambda
+KOKKOS_ARCH = "SNB,Kepler35"
+
+#KOKKOS_DEVICES=OpenMP
+#KOKKOS_CUDA_OPTIONS=enable_lambda
+#KOKKOS_ARCH = "SNB"
+
+MAKEFILE_PATH := $(subst Makefile,,$(abspath $(lastword $(MAKEFILE_LIST))))
+
+ifndef KOKKOS_PATH
+  KOKKOS_PATH = $(MAKEFILE_PATH)../..
+endif
+
+SRC = $(wildcard $(MAKEFILE_PATH)*.cpp)
+HEADERS = $(wildcard $(MAKEFILE_PATH)*.hpp)
+
+vpath %.cpp $(sort $(dir $(SRC)))
+
+default: build
+	echo "Start Build"
+
+LINKFLAGS =
+ifneq (,$(findstring Cuda,$(KOKKOS_DEVICES)))
+CXX = ${KOKKOS_PATH}/bin/nvcc_wrapper
+EXE = virtual.cuda
+override LINKFLAGS += --remove-duplicate-link-files
+else
+CXX = g++
+EXE = virtual.host
+endif
+
+CXXFLAGS ?= -O3 -g
+override CXXFLAGS += -I$(MAKEFILE_PATH)
+
+DEPFLAGS = -M
+LINK = ${CXX}
+
+OBJ = $(notdir $(SRC:.cpp=.o))
+LIB =
+
+include $(KOKKOS_PATH)/Makefile.kokkos
+
+build: $(EXE)
+
+$(EXE): $(OBJ) $(KOKKOS_LINK_DEPENDS)
+	$(LINK) $(KOKKOS_LDFLAGS) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(KOKKOS_LIBS) $(LIB) -o $(EXE)
+
+clean: kokkos-clean
+	rm -f *.o *.cuda *.host
+
+# Compilation rules
+
+%.o:%.cpp $(KOKKOS_CPP_DEPENDS) $(HEADERS)
+	$(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) $(EXTRA_INC) -c $< -o $(notdir $@)
diff --git a/lib/kokkos/example/virtual_functions/classes.cpp b/lib/kokkos/example/virtual_functions/classes.cpp
new file mode 100644
index 0000000000..1b9d7cb385
--- /dev/null
+++ b/lib/kokkos/example/virtual_functions/classes.cpp
@@ -0,0 +1,26 @@
+#include<classes.hpp>
+
+KOKKOS_FUNCTION
+Foo::Foo() {
+  val = 0;
+} 
+
+KOKKOS_FUNCTION
+Foo_1::Foo_1() {
+  val = 1;
+}
+
+KOKKOS_FUNCTION
+int Foo_1::value() {
+  return val;  
+}
+
+KOKKOS_FUNCTION
+Foo_2::Foo_2() {
+  val = 2;
+}
+
+KOKKOS_FUNCTION
+int Foo_2::value() {
+  return val;  
+}
diff --git a/lib/kokkos/example/virtual_functions/classes.hpp b/lib/kokkos/example/virtual_functions/classes.hpp
new file mode 100644
index 0000000000..362c473ce6
--- /dev/null
+++ b/lib/kokkos/example/virtual_functions/classes.hpp
@@ -0,0 +1,39 @@
+#ifndef KOKKOS_EXAMPLE_VIRTUAL_FUNCTIONS_CLASSES_HPP
+#define KOKKOS_EXAMPLE_VIRTUAL_FUNCTIONS_CLASSES_HPP
+
+#include<Kokkos_Core.hpp>
+
+class Foo {
+  protected:
+    int val;
+  public:
+    KOKKOS_FUNCTION
+    Foo();
+
+    KOKKOS_FUNCTION
+    virtual int value() { return 0; };
+
+    KOKKOS_FUNCTION
+    virtual ~Foo() {}
+};
+
+class Foo_1: public Foo {
+  public:
+    KOKKOS_FUNCTION
+    Foo_1();
+
+    KOKKOS_FUNCTION
+    int value();
+};
+
+class Foo_2: public Foo {
+  public:
+    KOKKOS_FUNCTION
+    Foo_2();
+
+    KOKKOS_FUNCTION
+    int value();
+};
+
+#endif //KOKKOS_EXAMPLE_VIRTUAL_FUNCTIONS_CLASSES_HPP
+
diff --git a/lib/kokkos/example/virtual_functions/main.cpp b/lib/kokkos/example/virtual_functions/main.cpp
new file mode 100644
index 0000000000..a16e0cf73f
--- /dev/null
+++ b/lib/kokkos/example/virtual_functions/main.cpp
@@ -0,0 +1,36 @@
+#include<classes.hpp>
+
+int main(int argc, char* argv[]) {
+  Kokkos::initialize(argc,argv);
+
+  {
+    Foo* f_1 = (Foo*) Kokkos::kokkos_malloc(sizeof(Foo_1));
+    Foo* f_2 = (Foo*) Kokkos::kokkos_malloc(sizeof(Foo_2));
+
+    Kokkos::parallel_for("CreateObjects",1, KOKKOS_LAMBDA (const int&) {
+      new ((Foo_1*)f_1) Foo_1();
+      new ((Foo_2*)f_2) Foo_2();
+    });
+
+    int value_1,value_2;
+    Kokkos::parallel_reduce("CheckValues",1, KOKKOS_LAMBDA (const int&, int& lsum) {
+      lsum = f_1->value();
+    },value_1);
+
+    Kokkos::parallel_reduce("CheckValues",1, KOKKOS_LAMBDA (const int&, int& lsum) {
+      lsum = f_2->value();
+    },value_2);
+
+    printf("Values: %i %i\n",value_1,value_2);
+
+    Kokkos::parallel_for("DestroyObjects",1, KOKKOS_LAMBDA (const int&) {
+      f_1->~Foo();
+      f_2->~Foo();
+    });
+
+    Kokkos::kokkos_free(f_1);
+    Kokkos::kokkos_free(f_2);
+  }
+
+  Kokkos::finalize();
+}
diff --git a/lib/kokkos/generate_makefile.bash b/lib/kokkos/generate_makefile.bash
index 4225e5b2de..34be03f980 100755
--- a/lib/kokkos/generate_makefile.bash
+++ b/lib/kokkos/generate_makefile.bash
@@ -97,12 +97,21 @@ do
         echo "Invalid compiler by --compiler command: '${COMPILER}'"
         exit
       fi
+      # ... valid compiler, ensure absolute path set 
+      WCOMPATH=`which $COMPILER`
+      COMPDIR=`dirname $WCOMPATH`
+      COMPNAME=`basename $WCOMPATH`
+      COMPILER=${COMPDIR}/${COMPNAME}
       ;;
     --with-options*)
       KOKKOS_OPT="${key#*=}"
       ;;
+    --gcc-toolchain*)
+      KOKKOS_GCC_TOOLCHAIN="${key#*=}"
+      ;;
     --help)
       echo "Kokkos configure options:"
+      echo ""
       echo "--kokkos-path=/Path/To/Kokkos:        Path to the Kokkos root directory."
       echo "--qthreads-path=/Path/To/Qthreads:    Path to Qthreads install directory."
       echo "                                        Overrides path given by --with-qthreads."
@@ -171,6 +180,7 @@ do
       echo "                                "
       echo "--with-cuda-options=[OPT]:    Additional options to CUDA:"
       echo "                                force_uvm, use_ldg, enable_lambda, rdc"
+      echo "--gcc-toolchain=/Path/To/GccRoot:  Set the gcc toolchain to use with clang (e.g. /usr)" 
       echo "--make-j=[NUM]:               DEPRECATED: call make with appropriate"
       echo "                                -j flag"
       exit 0
@@ -195,7 +205,7 @@ else
 fi
 
 if [ "${KOKKOS_PATH}"  = "${PWD}" ] || [ "${KOKKOS_PATH}"  = "${PWD}/" ]; then
-  echo "Running generate_makefile.sh in the Kokkos root directory is not allowed"
+  echo "Running generate_makefile.bash in the Kokkos root directory is not allowed"
   exit
 fi
 
@@ -204,8 +214,13 @@ KOKKOS_SRC_PATH=${KOKKOS_PATH}
 KOKKOS_SETTINGS="KOKKOS_SRC_PATH=${KOKKOS_SRC_PATH}"
 #KOKKOS_SETTINGS="KOKKOS_PATH=${KOKKOS_PATH}"
 
+# The double [[  ]] in the elif branch is not a typo
 if [ ${#COMPILER} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} CXX=${COMPILER}"
+elif
+   [ ${#COMPILER} -eq 0 ] && [[ ${KOKKOS_DEVICES} =~ .*Cuda.* ]]; then
+  COMPILER="${KOKKOS_PATH}/bin/nvcc_wrapper"
+  KOKKOS_SETTINGS="${KOKKOS_SETTINGS} CXX=${COMPILER}"   
 fi
 
 if [ ${#KOKKOS_DEVICES} -gt 0 ]; then
@@ -265,6 +280,10 @@ if [ ${#KOKKOS_CUDA_OPT} -gt 0 ]; then
   KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_CUDA_OPTIONS=${KOKKOS_CUDA_OPT}"
 fi
 
+if [ ${#KOKKOS_GCC_TOOLCHAIN} -gt 0 ]; then
+  KOKKOS_SETTINGS="${KOKKOS_SETTINGS} KOKKOS_INTERNAL_GCC_TOOLCHAIN=${KOKKOS_GCC_TOOLCHAIN}"
+fi
+
 KOKKOS_SETTINGS_NO_KOKKOS_PATH="${KOKKOS_SETTINGS}"
 
 KOKKOS_TEST_INSTALL_PATH="${PWD}/install"
@@ -276,7 +295,7 @@ fi
 
 mkdir -p install
 gen_makefile=Makefile.kokkos
-echo "#Makefile to satisfy existens of target kokkos-clean before installing the library" > install/${gen_makefile}
+echo "#Makefile to satisfy existence of target kokkos-clean before installing the library" > install/${gen_makefile}
 echo "kokkos-clean:" >> install/${gen_makefile}
 echo "" >> install/${gen_makefile}
 mkdir -p core
diff --git a/lib/kokkos/master_history.txt b/lib/kokkos/master_history.txt
index fe90cc2960..08453309da 100644
--- a/lib/kokkos/master_history.txt
+++ b/lib/kokkos/master_history.txt
@@ -14,3 +14,4 @@ tag:  2.04.11    date: 10:28:2017    master: 54a1330a    develop: ed36c017
 tag:  2.5.00     date: 12:15:2017    master: dfe685f4    develop: ec7ad6d8
 tag:  2.6.00     date: 03:07:2018    master: 62e760fa    develop: d1ba7d71
 tag:  2.7.00     date: 05:24:2018    master: e01945d0    develop: 2d13f608
+tag:  2.7.24     date: 11:04:2018    master: d3a94192    develop: 7a06fc81
diff --git a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write
index ffe2a593b9..45208e76b0 100755
--- a/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write
+++ b/lib/kokkos/scripts/eti/generate_view_copy_cpp_files_write
@@ -19,8 +19,8 @@ echo "KOKKOS_IMPL_VIEWCOPY_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},L
 echo "KOKKOS_IMPL_VIEWFILL_ETI_DECL(${SCALAR_TYPE}${RANK_STARS},${LAYOUT_TYPE},KOKKOS_IMPL_VIEWCOPY_ETI_AVAIL_EXECSPACE,${INDEX_TYPE})" >> common/Kokkos_ViewFillCopyETIDecl_Macros.hpp
 
 
-FileName=${EXECUTION_SPACE_DIR}/Kokkos_${EXECUTION_SPACE}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.cpp
-ObjectName=Kokkos_${EXECUTION_SPACE}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.o
+FileName=${EXECUTION_SPACE_DIR}/Kokkos_${EXECUTION_SPACE_DIR}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.cpp
+ObjectName=Kokkos_${EXECUTION_SPACE_DIR}_ViewCopyETIInst_${INDEX_TYPE}_${SCALAR_TYPE}_${LAYOUT_TYPE}_Rank${RANK}.o
 
 cp ${SCRIPT_PATH}/../../LICENSE ${FileName}
 
@@ -37,5 +37,5 @@ echo "" >> ${FileName}
 echo "}" >> ${FileName}
 echo "}" >> ${FileName}
 
-echo "${ObjectName}: \$(KOKKOS_CPP_DEPENDS) \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE}
-echo -e "\t\$(CXX) \$(KOKKOS_CPPFLAGS) \$(KOKKOS_CXXFLAGS) \$(CXXFLAGS) -c \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE}
+echo "${ObjectName}: \$(KOKKOS_CPP_DEPENDS) \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE_DIR}
+echo -e "\t\$(CXX) \$(KOKKOS_CPPFLAGS) \$(KOKKOS_CXXFLAGS) \$(CXXFLAGS) -c \$(KOKKOS_ETI_PATH)/${FileName}" >> ${EXECUTION_SPACE_DIR}/Makefile.eti_${EXECUTION_SPACE_DIR}
diff --git a/lib/kokkos/scripts/testing_scripts/test_all_sandia b/lib/kokkos/scripts/testing_scripts/test_all_sandia
new file mode 100755
index 0000000000..d1424ade81
--- /dev/null
+++ b/lib/kokkos/scripts/testing_scripts/test_all_sandia
@@ -0,0 +1,790 @@
+#!/bin/bash -e
+
+#
+# Global config
+#
+
+set -o pipefail
+
+# Determine current machine.
+
+MACHINE=""
+HOSTNAME=$(hostname)
+PROCESSOR=`uname -p`
+
+if [[ "$HOSTNAME" =~ (white|ride).* ]]; then
+  MACHINE=white
+  module load git
+fi
+
+if [[ "$HOSTNAME" =~ .*bowman.* ]]; then
+  MACHINE=bowman
+  module load git
+fi
+
+if [[ "$HOSTNAME" == *blake* ]]; then # Warning: very generic name
+  MACHINE=blake
+  module load git
+fi
+
+if [[ "$HOSTNAME" == apollo\.* ]]; then
+  MACHINE=apollo
+  module load git
+fi
+
+if [[ "$HOSTNAME" == mayer\.* ]]; then
+  MACHINE=mayer
+#  module load git
+fi
+if [[ "$HOSTNAME" == cn* ]]; then # Warning: very generic name
+  MACHINE=mayer
+fi
+
+if [ ! -z "$SEMS_MODULEFILES_ROOT" ]; then
+  if [[ "$MACHINE" = "" ]]; then
+    MACHINE=sems
+    module load sems-git
+  fi  
+fi
+
+if [[ "$MACHINE" = "" ]]; then
+  echo "Unrecognized machine" >&2
+  exit 1
+fi
+
+echo "Running on machine: $MACHINE"
+
+GCC_BUILD_LIST="OpenMP,Pthread,Serial,OpenMP_Serial,Pthread_Serial"
+IBM_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
+ARM_GCC_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
+INTEL_BUILD_LIST="OpenMP,Pthread,Serial,OpenMP_Serial,Pthread_Serial"
+CLANG_BUILD_LIST="Pthread,Serial,Pthread_Serial"
+CUDA_BUILD_LIST="Cuda_OpenMP,Cuda_Pthread,Cuda_Serial"
+CUDA_IBM_BUILD_LIST="Cuda_OpenMP,Cuda_Serial"
+
+GCC_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wignored-qualifiers,-Wempty-body,-Wclobbered,-Wuninitialized"
+IBM_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Wsign-compare,-Wtype-limits,-Wuninitialized"
+CLANG_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
+INTEL_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
+CUDA_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Werror,-Wsign-compare,-Wtype-limits,-Wuninitialized"
+#CUDA_WARNING_FLAGS="-Wall,-Wshadow,-pedantic,-Wsign-compare,-Wtype-limits,-Wuninitialized"
+PGI_WARNING_FLAGS=""
+
+# Default. Machine specific can override.
+DEBUG=False
+ARGS=""
+CUSTOM_BUILD_LIST=""
+QTHREADS_PATH=""
+DRYRUN=False
+BUILD_ONLY=False
+declare -i NUM_JOBS_TO_RUN_IN_PARALLEL=1
+TEST_SCRIPT=False
+SKIP_HWLOC=False
+SPOT_CHECK=False
+
+PRINT_HELP=False
+OPT_FLAG=""
+CXX_FLAGS_EXTRA=""
+LD_FLAGS_EXTRA=""
+KOKKOS_OPTIONS=""
+
+#
+# Handle arguments.
+#
+
+while [[ $# > 0 ]]
+do
+  key="$1"
+
+  case $key in
+    --kokkos-path*)
+      KOKKOS_PATH="${key#*=}"
+      ;;
+    --qthreads-path*)
+      QTHREADS_PATH="${key#*=}"
+      ;;
+    --build-list*)
+      CUSTOM_BUILD_LIST="${key#*=}"
+      ;;
+    --debug*)
+      DEBUG=True
+      ;;
+    --build-only*)
+      BUILD_ONLY=True
+      ;;
+    --test-script*)
+      TEST_SCRIPT=True
+      ;;
+    --skip-hwloc*)
+      SKIP_HWLOC=True
+      ;;
+    --num*)
+      NUM_JOBS_TO_RUN_IN_PARALLEL="${key#*=}"
+      ;;
+    --dry-run*)
+      DRYRUN=True
+      ;;
+    --spot-check*)
+      SPOT_CHECK=True
+      ;;
+    --arch*)
+      ARCH_FLAG="--arch=${key#*=}"
+      ;;
+    --opt-flag*)
+      OPT_FLAG="${key#*=}"
+      ;;
+    --with-cuda-options*)
+      KOKKOS_CUDA_OPTIONS="--with-cuda-options=${key#*=}"
+      ;;
+    --with-options*)
+      KOKKOS_OPTIONS="--with-options=${key#*=}"
+      ;;
+    --cxxflags-extra*)
+      CXX_FLAGS_EXTRA="${key#*=}"
+      ;;
+    --ldflags-extra*)
+      LD_FLAGS_EXTRA="${key#*=}"
+      ;;
+    --help*)
+      PRINT_HELP=True
+      ;;
+    *)
+      # args, just append
+      ARGS="$ARGS $1"
+      ;;
+  esac
+
+  shift
+done
+
+SCRIPT_KOKKOS_ROOT=$( cd "$( dirname "$0" )" && cd ../.. && pwd )
+
+# Set kokkos path.
+if [ -z "$KOKKOS_PATH" ]; then
+  KOKKOS_PATH=$SCRIPT_KOKKOS_ROOT
+else
+  # Ensure KOKKOS_PATH is abs path.
+  KOKKOS_PATH=$( cd $KOKKOS_PATH && pwd )
+fi
+
+UNCOMMITTED=`cd ${KOKKOS_PATH}; git status --porcelain 2>/dev/null`
+if ! [ -z "$UNCOMMITTED" ]; then
+  echo "WARNING!! THE FOLLOWING CHANGES ARE UNCOMMITTED!! :"
+  echo "$UNCOMMITTED"
+  echo ""
+fi
+
+GITSTATUS=`cd ${KOKKOS_PATH}; git log -n 1 --format=oneline`
+echo "Repository Status: " ${GITSTATUS}
+echo ""
+echo ""
+
+#
+# Machine specific config.
+#
+
+if [ "$MACHINE" = "sems" ]; then
+  source /projects/sems/modulefiles/utils/sems-modules-init.sh
+
+  BASE_MODULE_LIST="sems-env,kokkos-env,kokkos-hwloc/1.10.1/base,sems-<COMPILER_NAME>/<COMPILER_VERSION>"
+  CUDA_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/4.8.4,kokkos-hwloc/1.10.1/base"
+  CUDA8_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0,kokkos-hwloc/1.10.1/base"
+
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG=""
+  fi
+
+  if [ "$SPOT_CHECK" = "True" ]; then
+    # Format: (compiler module-list build-list exe-name warning-flag)
+    COMPILERS=("gcc/5.3.0 $BASE_MODULE_LIST "OpenMP" g++ $GCC_WARNING_FLAGS"
+               "gcc/7.3.0 $BASE_MODULE_LIST "Serial" g++ $GCC_WARNING_FLAGS"
+               "intel/17.0.1 $BASE_MODULE_LIST "OpenMP" icpc $INTEL_WARNING_FLAGS"
+               "clang/4.0.1 $BASE_MODULE_LIST "Pthread_Serial" clang++ $CLANG_WARNING_FLAGS"
+               "cuda/8.0.44 $CUDA8_MODULE_LIST "Cuda_OpenMP" $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+    )
+  else
+    # Format: (compiler module-list build-list exe-name warning-flag)
+    COMPILERS=("gcc/4.8.4 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/5.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/6.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/7.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "intel/15.0.2 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "intel/16.0.3 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "intel/17.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "clang/3.6.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "clang/3.7.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "clang/3.8.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "clang/3.9.0 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "clang/4.0.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "cuda/7.5.18 $CUDA_MODULE_LIST $CUDA_BUILD_LIST $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+               "cuda/8.0.44 $CUDA8_MODULE_LIST $CUDA_BUILD_LIST $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+    )
+  fi
+elif [ "$MACHINE" = "white" ]; then
+  source /etc/profile.d/modules.sh
+  SKIP_HWLOC=True
+  export SLURM_TASKS_PER_NODE=32
+
+  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
+  IBM_MODULE_LIST="<COMPILER_NAME>/xl/<COMPILER_VERSION>"
+  CUDA_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>,gcc/7.2.0,ibm/xl/16.1.0"
+
+  # Don't do pthread on white.
+  GCC_BUILD_LIST="OpenMP,Serial,OpenMP_Serial"
+
+  # Format: (compiler module-list build-list exe-name warning-flag)
+  COMPILERS=("gcc/6.4.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "gcc/7.2.0 $BASE_MODULE_LIST $IBM_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "ibm/16.1.0 $IBM_MODULE_LIST $IBM_BUILD_LIST xlC $IBM_WARNING_FLAGS"
+             "cuda/9.2.88 $CUDA_MODULE_LIST $CUDA_IBM_BUILD_LIST ${KOKKOS_PATH}/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+  )
+
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG="--arch=Power8,Kepler37"
+  fi
+
+elif [ "$MACHINE" = "bowman" ]; then
+  source /etc/profile.d/modules.sh
+  SKIP_HWLOC=True
+  export SLURM_TASKS_PER_NODE=32
+
+  BASE_MODULE_LIST="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
+
+  OLD_INTEL_BUILD_LIST="Pthread,Serial,Pthread_Serial"
+
+  # Format: (compiler module-list build-list exe-name warning-flag)
+  COMPILERS=("intel/16.4.258 $BASE_MODULE_LIST $OLD_INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+             "intel/17.2.174 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+             "intel/18.2.199 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+  )
+
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG="--arch=KNL"
+  fi
+
+elif [ "$MACHINE" = "mayer" ]; then
+  SKIP_HWLOC=True
+  export SLURM_TASKS_PER_NODE=96
+
+  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
+  ARM_MODULE_LIST="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
+
+  # Format: (compiler module-list build-list exe-name warning-flag)
+  COMPILERS=("gcc/7.2.0 $BASE_MODULE_LIST $ARM_GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "arm/18.4.0 $ARM_MODULE_LIST $ARM_GCC_BUILD_LIST armclang++ $CLANG_WARNING_FLAGS")
+
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG="--arch=ARMv8-TX2"
+  fi
+
+elif [ "$MACHINE" = "blake" ]; then
+  source /etc/profile.d/modules.sh
+  SKIP_HWLOC=True
+  export SLURM_TASKS_PER_NODE=32
+
+  BASE_MODULE_LIST="<COMPILER_NAME>/<COMPILER_VERSION>"
+  BASE_MODULE_LIST_INTEL="<COMPILER_NAME>/compilers/<COMPILER_VERSION>"
+
+  if [ "$SPOT_CHECK" = "True" ]; then
+
+  # Format: (compiler module-list build-list exe-name warning-flag)
+  COMPILERS=("intel/18.1.163 $BASE_MODULE_LIST_INTEL $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+             "gcc/7.2.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "pgi/17.10.0 $BASE_MODULE_LIST $GCC_BUILD_LIST pgc++ $PGI_WARNING_FLAGS"
+  )
+  else
+  COMPILERS=("intel/18.1.163 $BASE_MODULE_LIST_INTEL $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+             "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "gcc/5.5.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "gcc/6.4.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "gcc/7.2.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "gcc/8.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+             "pgi/17.10.0 $BASE_MODULE_LIST $GCC_BUILD_LIST pgc++ $PGI_WARNING_FLAGS"
+  )
+
+  fi
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG="--arch=SKX"
+  fi
+
+elif [ "$MACHINE" = "apollo" ]; then
+  source /projects/sems/modulefiles/utils/sems-modules-init.sh
+  module use /home/projects/modulefiles/local/x86-64
+  module load kokkos-env
+
+  module load sems-git
+  module load sems-tex
+  module load sems-cmake/3.5.2
+  module load sems-gdb
+
+  SKIP_HWLOC=True
+
+  BASE_MODULE_LIST="sems-env,kokkos-env,sems-<COMPILER_NAME>/<COMPILER_VERSION>,kokkos-hwloc/1.10.1/base"
+  CUDA_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/4.8.4,kokkos-hwloc/1.10.1/base"
+  CUDA8_MODULE_LIST="sems-env,kokkos-env,kokkos-<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0,kokkos-hwloc/1.10.1/base"
+
+  CLANG_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,cuda/9.0.69"
+  CLANG7_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,cuda/9.1"
+  NVCC_MODULE_LIST="sems-env,kokkos-env,sems-git,sems-cmake/3.5.2,<COMPILER_NAME>/<COMPILER_VERSION>,sems-gcc/5.3.0"
+
+  BUILD_LIST_CUDA_NVCC="Cuda_Serial,Cuda_OpenMP"
+  BUILD_LIST_CUDA_CLANG="Cuda_Serial,Cuda_Pthread"
+  BUILD_LIST_CLANG="Serial,Pthread,OpenMP"
+
+  if [ "$SPOT_CHECK" = "True" ]; then
+    # Format: (compiler module-list build-list exe-name warning-flag)
+    COMPILERS=("gcc/4.8.4 $BASE_MODULE_LIST "OpenMP,Pthread" g++ $GCC_WARNING_FLAGS"
+               "gcc/5.3.0 $BASE_MODULE_LIST "Serial" g++ $GCC_WARNING_FLAGS"
+               "intel/16.0.1 $BASE_MODULE_LIST "OpenMP" icpc $INTEL_WARNING_FLAGS"
+               "clang/3.9.0 $BASE_MODULE_LIST "Pthread_Serial" clang++ $CLANG_WARNING_FLAGS"
+               "clang/6.0 $CLANG_MODULE_LIST "Cuda_Pthread,OpenMP" clang++ $CUDA_WARNING_FLAGS"
+               "cuda/9.1 $CUDA_MODULE_LIST "Cuda_OpenMP" $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+    )
+  else
+    # Format: (compiler module-list build-list exe-name warning-flag)
+    COMPILERS=("cuda/9.1 $CUDA8_MODULE_LIST $BUILD_LIST_CUDA_NVCC $KOKKOS_PATH/bin/nvcc_wrapper $CUDA_WARNING_FLAGS"
+               "clang/6.0 $CLANG_MODULE_LIST $BUILD_LIST_CUDA_CLANG clang++ $CUDA_WARNING_FLAGS"
+               "clang/7.0 $CLANG7_MODULE_LIST $BUILD_LIST_CUDA_CLANG clang++ $CUDA_WARNING_FLAGS"
+               "clang/3.9.0 $CLANG_MODULE_LIST $BUILD_LIST_CLANG clang++ $CLANG_WARNING_FLAGS"
+               "gcc/4.8.4 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/4.9.3 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/5.3.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "gcc/6.1.0 $BASE_MODULE_LIST $GCC_BUILD_LIST g++ $GCC_WARNING_FLAGS"
+               "intel/15.0.2 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "intel/16.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "intel/17.0.1 $BASE_MODULE_LIST $INTEL_BUILD_LIST icpc $INTEL_WARNING_FLAGS"
+               "clang/3.5.2 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+               "clang/3.6.1 $BASE_MODULE_LIST $CLANG_BUILD_LIST clang++ $CLANG_WARNING_FLAGS"
+    )
+  fi
+
+  if [ -z "$ARCH_FLAG" ]; then
+    ARCH_FLAG="--arch=SNB,Volta70"
+  fi
+
+else
+  echo "Unhandled machine $MACHINE" >&2
+  exit 1
+fi
+
+export OMP_NUM_THREADS=8
+export OMP_PROC_BIND=spread
+export OMP_PLACES=cores
+
+declare -i NUM_RESULTS_TO_KEEP=7
+
+RESULT_ROOT_PREFIX=TestAll
+
+if [ "$PRINT_HELP" = "True" ]; then
+  echo "test_all_sandia <ARGS> <OPTIONS>:"
+  echo "--kokkos-path=/Path/To/Kokkos: Path to the Kokkos root directory"
+  echo "    Defaults to root repo containing this script"
+  echo "--debug: Run tests in debug. Defaults to False"
+  echo "--test-script: Test this script, not Kokkos"
+  echo "--skip-hwloc: Do not do hwloc tests"
+  echo "--num=N: Number of jobs to run in parallel"
+  echo "--spot-check: Minimal test set to issue pull request"
+  echo "--dry-run: Just print what would be executed"
+  echo "--build-only: Just do builds, don't run anything"
+  echo "--opt-flag=FLAG: Optimization flag (default: -O3)"
+  echo "--cxxflags-extra=FLAGS: Extra flags to be added to CXX_FLAGS"
+  echo "--ldflags-extra=FLAGS: Extra flags to be added to LD_FLAGS"
+  echo "--arch=ARCHITECTURE: overwrite architecture flags"
+  echo "--with-cuda-options=OPT: set KOKKOS_CUDA_OPTIONS"
+  echo "--build-list=BUILD,BUILD,BUILD..."
+  echo "    Provide a comma-separated list of builds instead of running all builds"
+  echo "    Valid items:"
+  echo "      OpenMP, Pthread, Qthreads, Serial, OpenMP_Serial, Pthread_Serial"
+  echo "      Qthreads_Serial, Cuda_OpenMP, Cuda_Pthread, Cuda_Serial"
+  echo ""
+
+  echo "ARGS: list of expressions matching compilers to test"
+  echo "  supported compilers sems"
+  for COMPILER_DATA in "${COMPILERS[@]}"; do
+    ARR=($COMPILER_DATA)
+    COMPILER=${ARR[0]}
+    echo "    $COMPILER"
+  done
+  echo ""
+
+  echo "Examples:"
+  echo "  Run all tests"
+  echo "  % test_all_sandia"
+  echo ""
+  echo "  Run all gcc tests"
+  echo "  % test_all_sandia gcc"
+  echo ""
+  echo "  Run all gcc/4.8.4 and all intel tests"
+  echo "  % test_all_sandia gcc/4.8.4 intel"
+  echo ""
+  echo "  Run all tests in debug"
+  echo "  % test_all_sandia --debug"
+  echo ""
+  echo "  Run gcc/4.8.4 and only do OpenMP and OpenMP_Serial builds"
+  echo "  % test_all_sandia gcc/4.8.4 --build-list=OpenMP,OpenMP_Serial"
+  echo ""
+  echo "If you want to kill the tests, do:"
+  echo "  hit ctrl-z"
+  echo "  % kill -9 %1"
+  echo
+  exit 0
+fi
+
+# Set build type.
+if [ "$DEBUG" = "True" ]; then
+  BUILD_TYPE=debug
+else
+  BUILD_TYPE=release
+fi
+
+# If no args provided, do all compilers.
+if [ -z "$ARGS" ]; then
+  ARGS='?'
+fi
+
+# Process args to figure out which compilers to test.
+COMPILERS_TO_TEST=""
+
+for ARG in $ARGS; do
+  for COMPILER_DATA in "${COMPILERS[@]}"; do
+    ARR=($COMPILER_DATA)
+    COMPILER=${ARR[0]}
+
+    if [[ "$COMPILER" = $ARG* ]]; then
+      if [[ "$COMPILERS_TO_TEST" != *${COMPILER}* ]]; then
+        COMPILERS_TO_TEST="$COMPILERS_TO_TEST $COMPILER"
+      else
+        echo "Tried to add $COMPILER twice"
+      fi
+    fi
+  done
+done
+
+# Check if Qthreads build requested.
+HAVE_QTHREADS_BUILD="False"
+if [ -n "$CUSTOM_BUILD_LIST" ]; then
+  if [[ "$CUSTOM_BUILD_LIST" = *Qthreads* ]]; then
+    HAVE_QTHREADS_BUILD="True"
+  fi
+else
+  for COMPILER_DATA in "${COMPILERS[@]}"; do
+    ARR=($COMPILER_DATA)
+    BUILD_LIST=${ARR[2]}
+    if [[ "$BUILD_LIST" = *Qthreads* ]]; then
+      HAVE_QTHREADS_BUILD="True"
+    fi
+  done
+fi
+
+# Ensure Qthreads path is set if Qthreads build is requested.
+if [ "$HAVE_QTHREADS_BUILD" = "True" ]; then
+  if [ -z "$QTHREADS_PATH" ]; then
+    echo "Need to supply Qthreads path (--qthreads-path) when testing Qthreads backend." >&2
+    exit 1
+  else
+    # Strip trailing slashes from path.
+    QTHREADS_PATH=$(echo $QTHREADS_PATH | sed 's/\/*$//')
+  fi
+fi
+
+#
+# Functions.
+#
+
+# get_compiler_name <COMPILER>
+get_compiler_name() {
+  echo $1 | cut -d/ -f1
+}
+
+# get_compiler_version <COMPILER>
+get_compiler_version() {
+  echo $1 | cut -d/ -f2
+}
+
+# Do not call directly.
+get_compiler_data() {
+  local compiler=$1
+  local item=$2
+  local compiler_name=$(get_compiler_name $compiler)
+  local compiler_vers=$(get_compiler_version $compiler)
+
+  local compiler_data
+  for compiler_data in "${COMPILERS[@]}" ; do
+    local arr=($compiler_data)
+
+    if [ "$compiler" = "${arr[0]}" ]; then
+      echo "${arr[$item]}" | tr , ' ' | sed -e "s/<COMPILER_NAME>/$compiler_name/g" -e "s/<COMPILER_VERSION>/$compiler_vers/g"
+      return 0
+    fi
+  done
+
+  # Not found.
+  echo "Unreconized compiler $compiler" >&2
+  exit 1
+}
+
+#
+# For all getters, usage: <GETTER> <COMPILER>
+#
+
+get_compiler_modules() {
+  get_compiler_data $1 1
+}
+
+get_compiler_build_list() {
+  get_compiler_data $1 2
+}
+
+get_compiler_exe_name() {
+  get_compiler_data $1 3
+}
+
+get_compiler_warning_flags() {
+  get_compiler_data $1 4
+}
+
+run_cmd() {
+  echo "RUNNING: $*"
+  if [ "$DRYRUN" != "True" ]; then
+    eval "$* 2>&1"
+  fi
+}
+
+# report_and_log_test_results <SUCCESS> <DESC> <COMMENT>
+report_and_log_test_result() {
+  # Use sane var names.
+  local success=$1; local desc=$2; local comment=$3;
+
+  if [ "$success" = "0" ]; then
+    echo "  PASSED $desc"
+    echo $comment > $PASSED_DIR/$desc
+  else
+    # For failures, comment should be the name of the phase that failed.
+    echo "  FAILED $desc" >&2
+    echo $comment > $FAILED_DIR/$desc
+    cat ${desc}.${comment}.log
+  fi
+}
+
+setup_env() {
+  local compiler=$1
+  local compiler_modules=$(get_compiler_modules $compiler)
+
+  module purge
+
+  local mod
+  for mod in $compiler_modules; do
+    echo "Loading module $mod"
+    module load $mod 2>&1
+    # It is ridiculously hard to check for the success of a loaded
+    # module. Module does not return error codes and piping to grep
+    # causes module to run in a subshell.
+    module list 2>&1 | grep "$mod" >& /dev/null || return 1
+  done
+
+  return 0
+}
+
+# single_build_and_test <COMPILER> <BUILD> <BUILD_TYPE>
+single_build_and_test() {
+  # Use sane var names.
+  local compiler=$1; local build=$2; local build_type=$3;
+
+  # Set up env.
+  mkdir -p $ROOT_DIR/$compiler/"${build}-$build_type"
+  cd $ROOT_DIR/$compiler/"${build}-$build_type"
+  local desc=$(echo "${compiler}-${build}-${build_type}" | sed 's:/:-:g')
+  setup_env $compiler >& ${desc}.configure.log || { report_and_log_test_result 1 ${desc} configure && return 0; }
+
+  # Set up flags.
+  local compiler_warning_flags=$(get_compiler_warning_flags $compiler)
+  local compiler_exe=$(get_compiler_exe_name $compiler)
+
+  if [[ "$build_type" = hwloc* ]]; then
+    local extra_args=--with-hwloc=$(dirname $(dirname $(which hwloc-info)))
+  fi
+
+  if [[ "$build" = *Qthreads* ]]; then
+    if [[ "$build_type" = hwloc* ]]; then
+      local extra_args="$extra_args --qthreads-path=${QTHREADS_PATH}_hwloc"
+    else
+      local extra_args="$extra_args --qthreads-path=$QTHREADS_PATH"
+    fi
+  fi
+
+  if [[ "$OPT_FLAG" = "" ]]; then
+    OPT_FLAG="-O3"
+  fi
+
+  if [[ "$build_type" = *debug* ]]; then
+    local extra_args="$extra_args --debug"
+    local cxxflags="-g $compiler_warning_flags"
+    local ldflags="-g"
+  else
+    local cxxflags="$OPT_FLAG $compiler_warning_flags"
+    local ldflags="${OPT_FLAG}"
+  fi
+
+  local cxxflags="${cxxflags} ${CXX_FLAGS_EXTRA}"
+  local ldflags="${ldflags} ${LD_FLAGS_EXTRA}"
+
+  if [[ "$KOKKOS_CUDA_OPTIONS" != "" ]]; then
+    local extra_args="$extra_args $KOKKOS_CUDA_OPTIONS"
+  fi
+  if [[ "$KOKKOS_OPTIONS" != "" ]]; then
+    local extra_args="$extra_args $KOKKOS_OPTIONS"
+  else
+    local extra_args="$extra_args --with-options=enable_large_mem_tests"
+  fi    
+
+  echo "  Starting job $desc"
+
+  local comment="no_comment"
+
+  if [ "$TEST_SCRIPT" = "True" ]; then
+    local rand=$[ 1 + $[ RANDOM % 10 ]]
+    sleep $rand
+
+    if [ $rand -gt 5 ]; then
+      run_cmd ls fake_problem >& ${desc}.configure.log || { report_and_log_test_result 1 $desc configure && return 0; }
+    fi
+  else
+    run_cmd ${KOKKOS_PATH}/generate_makefile.bash --with-devices=$build $ARCH_FLAG --compiler=$(which $compiler_exe) --cxxflags=\"$cxxflags\" --ldflags=\"$ldflags\" $extra_args &>> ${desc}.configure.log || { report_and_log_test_result 1 ${desc} configure && return 0; }
+    local -i build_start_time=$(date +%s)
+    run_cmd make -j 48 build-test >& ${desc}.build.log || { report_and_log_test_result 1 ${desc} build && return 0; }
+    local -i build_end_time=$(date +%s)
+    comment="build_time=$(($build_end_time-$build_start_time))"
+
+    if [[ "$BUILD_ONLY" == False ]]; then
+      run_cmd make test >& ${desc}.test.log || { report_and_log_test_result 1 ${desc} test && return 0; }
+      local -i run_end_time=$(date +%s)
+      comment="$comment run_time=$(($run_end_time-$build_end_time))"
+    fi
+  fi
+
+  report_and_log_test_result 0 $desc "$comment"
+
+  return 0
+}
+
+# wait_for_jobs <NUM-JOBS>
+wait_for_jobs() {
+  local -i max_jobs=$1
+  local -i num_active_jobs=$(jobs | wc -l)
+  while [ $num_active_jobs -ge $max_jobs ]
+  do
+    sleep 1
+    num_active_jobs=$(jobs | wc -l)
+    jobs >& /dev/null
+  done
+}
+
+# run_in_background <COMPILER> <BUILD> <BUILD_TYPE>
+run_in_background() {
+  local compiler=$1
+
+  local -i num_jobs=$NUM_JOBS_TO_RUN_IN_PARALLEL
+  # Don't override command line input.
+  # if [[ "$BUILD_ONLY" == True ]]; then
+  #   num_jobs=8
+  # else
+    if [[ "$compiler" == cuda* ]]; then
+      num_jobs=1
+    fi
+    if [[ "$compiler" == clang ]]; then 
+      num_jobs=1
+    fi
+  # fi
+  wait_for_jobs $num_jobs
+
+  single_build_and_test $* &
+}
+
+# build_and_test_all <COMPILER>
+build_and_test_all() {
+  # Get compiler data.
+  local compiler=$1
+  if [ -z "$CUSTOM_BUILD_LIST" ]; then
+    local compiler_build_list=$(get_compiler_build_list $compiler)
+  else
+    local compiler_build_list=$(echo "$CUSTOM_BUILD_LIST" | tr , ' ')
+  fi
+
+  # Do builds.
+  local build
+  for build in $compiler_build_list
+  do
+    run_in_background $compiler $build $BUILD_TYPE
+
+    # If not cuda, do a hwloc test too.
+    if [[ "$compiler" != cuda* && "$SKIP_HWLOC" == False ]]; then
+      run_in_background $compiler $build "hwloc-$BUILD_TYPE"
+    fi
+  done
+
+  return 0
+}
+
+get_test_root_dir() {
+  local existing_results=$(find . -maxdepth 1 -name "$RESULT_ROOT_PREFIX*" | sort)
+  local -i num_existing_results=$(echo $existing_results | tr ' ' '\n' | wc -l)
+  local -i num_to_delete=${num_existing_results}-${NUM_RESULTS_TO_KEEP}
+
+  if [ $num_to_delete -gt 0 ]; then
+    /bin/rm -rf $(echo $existing_results | tr ' ' '\n' | head -n $num_to_delete)
+  fi
+
+  echo $(pwd)/${RESULT_ROOT_PREFIX}_$(date +"%Y-%m-%d_%H.%M.%S")
+}
+
+wait_summarize_and_exit() {
+  wait_for_jobs 1
+
+  echo "#######################################################"
+  echo "PASSED TESTS"
+  echo "#######################################################"
+
+  local passed_test
+  for passed_test in $(\ls -1 $PASSED_DIR | sort)
+  do
+    echo $passed_test $(cat $PASSED_DIR/$passed_test)
+  done
+
+  local -i rv=0
+  if [ "$(ls -A $FAILED_DIR)" ]; then
+    echo "#######################################################"
+    echo "FAILED TESTS"
+    echo "#######################################################"
+
+    local failed_test
+    for failed_test in $(\ls -1 $FAILED_DIR | sort)
+    do
+      echo $failed_test "("$(cat $FAILED_DIR/$failed_test)" failed)"
+      rv=$rv+1
+    done
+  fi
+
+  exit $rv
+}
+
+#
+# Main.
+#
+
+ROOT_DIR=$(get_test_root_dir)
+mkdir -p $ROOT_DIR
+cd $ROOT_DIR
+
+PASSED_DIR=$ROOT_DIR/results/passed
+FAILED_DIR=$ROOT_DIR/results/failed
+mkdir -p $PASSED_DIR
+mkdir -p $FAILED_DIR
+
+echo "Going to test compilers: " $COMPILERS_TO_TEST
+for COMPILER in $COMPILERS_TO_TEST; do
+  echo "Testing compiler $COMPILER"
+  build_and_test_all $COMPILER
+done
+
+wait_summarize_and_exit
diff --git a/lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_pthread_intel b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel
similarity index 82%
rename from lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_pthread_intel
rename to lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel
index 3b2c725517..df370509a7 100755
--- a/lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_pthread_intel
+++ b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_pthread_intel
@@ -1,6 +1,8 @@
 #!/bin/bash -el
 ulimit -c 0
-module load devpack/openmpi/2.1.1/intel/17.4.196/cuda/none
+module load devpack/20171203/openmpi/2.1.2/intel/18.1.163
+# Trilinos now requires cmake version >= 3.10.0
+module swap cmake/3.9.0 cmake/3.10.2
 
 KOKKOS_BRANCH=$1
 TRILINOS_UPDATE_BRANCH=$2
@@ -28,8 +30,9 @@ export JENKINS_DO_PTHREAD=ON
 export JENKINS_DO_SERIAL=OFF
 export JENKINS_DO_COMPLEX=OFF
 
-export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX2 -mkl"
-export JENKINS_ARCH_C_FLAG="-xCORE-AVX2 -mkl"
+export JENKINS_ARCH=SKX
+export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX512 -mkl"
+export JENKINS_ARCH_C_FLAG="-xCORE-AVX512 -mkl"
 export BLAS_LIBRARIES="-mkl;${MKLROOT}/lib/intel64/libmkl_intel_lp64.a;${MKLROOT}/lib/intel64/libmkl_intel_thread.a;${MKLROOT}/lib/intel64/libmkl_core.a"
 export LAPACK_LIBRARIES=${BLAS_LIBRARIES}
 
@@ -37,7 +40,7 @@ export JENKINS_DO_TESTS=ON
 export JENKINS_DO_EXAMPLES=ON
 export JENKINS_DO_SHARED=ON
 
-export QUEUE=haswell
+export QUEUE=blake
 
 
 module load python
diff --git a/lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_serial_intel b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel
similarity index 82%
rename from lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_serial_intel
rename to lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel
index 9ce936ae26..04f1378cec 100755
--- a/lib/kokkos/scripts/trilinos-integration/shepard_jenkins_run_script_serial_intel
+++ b/lib/kokkos/scripts/trilinos-integration/blake_jenkins_run_script_serial_intel
@@ -1,6 +1,8 @@
 #!/bin/bash -el
 ulimit -c 0
-module load devpack/openmpi/2.1.1/intel/17.4.196/cuda/none
+module load devpack/20171203/openmpi/2.1.2/intel/18.1.163
+# Trilinos now requires cmake version >= 3.10.0
+module swap cmake/3.9.0 cmake/3.10.2
 
 KOKKOS_BRANCH=$1
 TRILINOS_UPDATE_BRANCH=$2
@@ -28,8 +30,9 @@ export JENKINS_DO_PTHREAD=OFF
 export JENKINS_DO_SERIAL=ON
 export JENKINS_DO_COMPLEX=ON
 
-export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX2 -mkl"
-export JENKINS_ARCH_C_FLAG="-xCORE-AVX2 -mkl"
+export JENKINS_ARCH=SKX
+export JENKINS_ARCH_CXX_FLAG="-xCORE-AVX512 -mkl"
+export JENKINS_ARCH_C_FLAG="-xCORE-AVX512 -mkl"
 export BLAS_LIBRARIES="-mkl;${MKLROOT}/lib/intel64/libmkl_intel_lp64.a;${MKLROOT}/lib/intel64/libmkl_intel_thread.a;${MKLROOT}/lib/intel64/libmkl_core.a"
 export LAPACK_LIBRARIES=${BLAS_LIBRARIES}
 
@@ -37,7 +40,7 @@ export JENKINS_DO_TESTS=ON
 export JENKINS_DO_EXAMPLES=ON
 export JENKINS_DO_SHARED=ON
 
-export QUEUE=haswell
+export QUEUE=blake
 
 
 module load python
diff --git a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda
index 2716767fe5..98900c3c9b 100755
--- a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda
+++ b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_cuda
@@ -20,7 +20,10 @@ then
   TRILINOS_PRISTINE_BRANCH=develop
 fi
 
-module load devpack/openmpi/1.10.4/gcc/5.4.0/cuda/8.0.44
+module load devpack/20180521/openmpi/2.1.2/gcc/7.2.0/cuda/9.2.88
+module swap openblas/0.2.20/gcc/7.2.0 netlib/3.8.0/gcc/7.2.0
+# Trilinos now requires cmake version >= 3.10.0
+module swap cmake/3.9.6 cmake/3.12.3
 export OMP_NUM_THREADS=8
 export JENKINS_DO_CUDA=ON
 export JENKINS_DO_OPENMP=OFF
@@ -28,6 +31,7 @@ export JENKINS_DO_PTHREAD=OFF
 export JENKINS_DO_SERIAL=ON
 export JENKINS_DO_COMPLEX=OFF
 
+export JENKINS_ARCH="Power8,Kepler37"
 export JENKINS_ARCH_CXX_FLAG="-mcpu=power8 -arch=sm_37"
 export JENKINS_ARCH_C_FLAG="-mcpu=power8"
 export BLAS_LIBRARIES="${BLAS_ROOT}/lib/libblas.a;gfortran;gomp"
diff --git a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp
index ff1086507c..9c5244cd35 100755
--- a/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp
+++ b/lib/kokkos/scripts/trilinos-integration/white_run_jenkins_script_omp
@@ -20,7 +20,10 @@ then
   TRILINOS_PRISTINE_BRANCH=develop
 fi
 
-module load devpack/openmpi/1.10.4/gcc/5.4.0/cuda/8.0.44
+module load devpack/20180521/openmpi/2.1.2/gcc/7.2.0/cuda/9.2.88
+module swap openblas/0.2.20/gcc/7.2.0 netlib/3.8.0/gcc/7.2.0
+# Trilinos now requires cmake version >= 3.10.0
+module swap cmake/3.9.6 cmake/3.12.3
 export OMP_NUM_THREADS=8
 export JENKINS_DO_CUDA=OFF
 export JENKINS_DO_OPENMP=ON
@@ -28,6 +31,7 @@ export JENKINS_DO_PTHREAD=OFF
 export JENKINS_DO_SERIAL=OFF
 export JENKINS_DO_COMPLEX=OFF
 
+export JENKINS_ARCH="Power8"
 export JENKINS_ARCH_CXX_FLAG="-mcpu=power8"
 export JENKINS_ARCH_C_FLAG="-mcpu=power8"
 export BLAS_LIBRARIES="${BLAS_ROOT}/lib/libblas.a;gfortran;gomp"
diff --git a/lib/kokkos/tpls/gtest/gtest/LICENSE b/lib/kokkos/tpls/gtest/gtest/LICENSE
new file mode 100644
index 0000000000..1941a11f8c
--- /dev/null
+++ b/lib/kokkos/tpls/gtest/gtest/LICENSE
@@ -0,0 +1,28 @@
+Copyright 2008, Google Inc.
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are
+met:
+
+    * Redistributions of source code must retain the above copyright
+notice, this list of conditions and the following disclaimer.
+    * Redistributions in binary form must reproduce the above
+copyright notice, this list of conditions and the following disclaimer
+in the documentation and/or other materials provided with the
+distribution.
+    * Neither the name of Google Inc. nor the names of its
+contributors may be used to endorse or promote products derived from
+this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
diff --git a/lib/kokkos/tpls/gtest/gtest/README b/lib/kokkos/tpls/gtest/gtest/README
new file mode 100644
index 0000000000..82964ecc32
--- /dev/null
+++ b/lib/kokkos/tpls/gtest/gtest/README
@@ -0,0 +1,13 @@
+This is a fused source version of gtest 1.7.0. All that should be necessary to
+start using gtest in your package is to declare the dependency and include
+gtest/gtest.h.
+
+However, because some of the packages that are developed in Sierra do not use a
+fused source version of gtest we need to make it possible for them to build with
+this version as well as with their native build. To facilitate this we have
+created symlinks for the other gtest headers that they use to the fused source
+gtest.h. This will make it possible for them find the headers while still using
+the fuse source version. This should not have any ill effects since the header is
+protected and allows for only using the non-gtest.h headers in their files.
+
+
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest-all.cc b/lib/kokkos/tpls/gtest/gtest/gtest-all.cc
new file mode 100644
index 0000000000..735f581c95
--- /dev/null
+++ b/lib/kokkos/tpls/gtest/gtest/gtest-all.cc
@@ -0,0 +1,9594 @@
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: mheule@google.com (Markus Heule)
+//
+// Google C++ Testing Framework (Google Test)
+//
+// Sometimes it's desirable to build Google Test by compiling a single file.
+// This file serves this purpose.
+
+// This line ensures that gtest.h can be compiled on its own, even
+// when it's fused.
+#include "gtest/gtest.h"
+
+// The following lines pull in the real gtest *.cc files.
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// The Google C++ Testing Framework (Google Test)
+
+// Copyright 2007, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// Utilities for testing Google Test itself and code that uses Google Test
+// (e.g. frameworks built on top of Google Test).
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_SPI_H_
+#define GTEST_INCLUDE_GTEST_GTEST_SPI_H_
+
+
+namespace testing {
+
+// This helper class can be used to mock out Google Test failure reporting
+// so that we can test Google Test or code that builds on Google Test.
+//
+// An object of this class appends a TestPartResult object to the
+// TestPartResultArray object given in the constructor whenever a Google Test
+// failure is reported. It can either intercept only failures that are
+// generated in the same thread that created this object or it can intercept
+// all generated failures. The scope of this mock object can be controlled with
+// the second argument to the two arguments constructor.
+class GTEST_API_ ScopedFakeTestPartResultReporter
+    : public TestPartResultReporterInterface {
+ public:
+  // The two possible mocking modes of this object.
+  enum InterceptMode {
+    INTERCEPT_ONLY_CURRENT_THREAD,  // Intercepts only thread local failures.
+    INTERCEPT_ALL_THREADS           // Intercepts all failures.
+  };
+
+  // The c'tor sets this object as the test part result reporter used
+  // by Google Test.  The 'result' parameter specifies where to report the
+  // results. This reporter will only catch failures generated in the current
+  // thread. DEPRECATED
+  explicit ScopedFakeTestPartResultReporter(TestPartResultArray* result);
+
+  // Same as above, but you can choose the interception scope of this object.
+  ScopedFakeTestPartResultReporter(InterceptMode intercept_mode,
+                                   TestPartResultArray* result);
+
+  // The d'tor restores the previous test part result reporter.
+  virtual ~ScopedFakeTestPartResultReporter();
+
+  // Appends the TestPartResult object to the TestPartResultArray
+  // received in the constructor.
+  //
+  // This method is from the TestPartResultReporterInterface
+  // interface.
+  virtual void ReportTestPartResult(const TestPartResult& result);
+ private:
+  void Init();
+
+  const InterceptMode intercept_mode_;
+  TestPartResultReporterInterface* old_reporter_;
+  TestPartResultArray* const result_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedFakeTestPartResultReporter);
+};
+
+namespace internal {
+
+// A helper class for implementing EXPECT_FATAL_FAILURE() and
+// EXPECT_NONFATAL_FAILURE().  Its destructor verifies that the given
+// TestPartResultArray contains exactly one failure that has the given
+// type and contains the given substring.  If that's not the case, a
+// non-fatal failure will be generated.
+class GTEST_API_ SingleFailureChecker {
+ public:
+  // The constructor remembers the arguments.
+  SingleFailureChecker(const TestPartResultArray* results,
+                       TestPartResult::Type type,
+                       const string& substr);
+  ~SingleFailureChecker();
+ private:
+  const TestPartResultArray* const results_;
+  const TestPartResult::Type type_;
+  const string substr_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(SingleFailureChecker);
+};
+
+}  // namespace internal
+
+}  // namespace testing
+
+// A set of macros for testing Google Test assertions or code that's expected
+// to generate Google Test fatal failures.  It verifies that the given
+// statement will cause exactly one fatal Google Test failure with 'substr'
+// being part of the failure message.
+//
+// There are two different versions of this macro. EXPECT_FATAL_FAILURE only
+// affects and considers failures generated in the current thread and
+// EXPECT_FATAL_FAILURE_ON_ALL_THREADS does the same but for all threads.
+//
+// The verification of the assertion is done correctly even when the statement
+// throws an exception or aborts the current function.
+//
+// Known restrictions:
+//   - 'statement' cannot reference local non-static variables or
+//     non-static members of the current object.
+//   - 'statement' cannot return a value.
+//   - You cannot stream a failure message to this macro.
+//
+// Note that even though the implementations of the following two
+// macros are much alike, we cannot refactor them to use a common
+// helper macro, due to some peculiarity in how the preprocessor
+// works.  The AcceptsMacroThatExpandsToUnprotectedComma test in
+// gtest_unittest.cc will fail to compile if we do that.
+#define EXPECT_FATAL_FAILURE(statement, substr) \
+  do { \
+    class GTestExpectFatalFailureHelper {\
+     public:\
+      static void Execute() { statement; }\
+    };\
+    ::testing::TestPartResultArray gtest_failures;\
+    ::testing::internal::SingleFailureChecker gtest_checker(\
+        &gtest_failures, ::testing::TestPartResult::kFatalFailure, (substr));\
+    {\
+      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
+          ::testing::ScopedFakeTestPartResultReporter:: \
+          INTERCEPT_ONLY_CURRENT_THREAD, &gtest_failures);\
+      GTestExpectFatalFailureHelper::Execute();\
+    }\
+  } while (::testing::internal::AlwaysFalse())
+
+#define EXPECT_FATAL_FAILURE_ON_ALL_THREADS(statement, substr) \
+  do { \
+    class GTestExpectFatalFailureHelper {\
+     public:\
+      static void Execute() { statement; }\
+    };\
+    ::testing::TestPartResultArray gtest_failures;\
+    ::testing::internal::SingleFailureChecker gtest_checker(\
+        &gtest_failures, ::testing::TestPartResult::kFatalFailure, (substr));\
+    {\
+      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
+          ::testing::ScopedFakeTestPartResultReporter:: \
+          INTERCEPT_ALL_THREADS, &gtest_failures);\
+      GTestExpectFatalFailureHelper::Execute();\
+    }\
+  } while (::testing::internal::AlwaysFalse())
+
+// A macro for testing Google Test assertions or code that's expected to
+// generate Google Test non-fatal failures.  It asserts that the given
+// statement will cause exactly one non-fatal Google Test failure with 'substr'
+// being part of the failure message.
+//
+// There are two different versions of this macro. EXPECT_NONFATAL_FAILURE only
+// affects and considers failures generated in the current thread and
+// EXPECT_NONFATAL_FAILURE_ON_ALL_THREADS does the same but for all threads.
+//
+// 'statement' is allowed to reference local variables and members of
+// the current object.
+//
+// The verification of the assertion is done correctly even when the statement
+// throws an exception or aborts the current function.
+//
+// Known restrictions:
+//   - You cannot stream a failure message to this macro.
+//
+// Note that even though the implementations of the following two
+// macros are much alike, we cannot refactor them to use a common
+// helper macro, due to some peculiarity in how the preprocessor
+// works.  If we do that, the code won't compile when the user gives
+// EXPECT_NONFATAL_FAILURE() a statement that contains a macro that
+// expands to code containing an unprotected comma.  The
+// AcceptsMacroThatExpandsToUnprotectedComma test in gtest_unittest.cc
+// catches that.
+//
+// For the same reason, we have to write
+//   if (::testing::internal::AlwaysTrue()) { statement; }
+// instead of
+//   GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement)
+// to avoid an MSVC warning on unreachable code.
+#define EXPECT_NONFATAL_FAILURE(statement, substr) \
+  do {\
+    ::testing::TestPartResultArray gtest_failures;\
+    ::testing::internal::SingleFailureChecker gtest_checker(\
+        &gtest_failures, ::testing::TestPartResult::kNonFatalFailure, \
+        (substr));\
+    {\
+      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
+          ::testing::ScopedFakeTestPartResultReporter:: \
+          INTERCEPT_ONLY_CURRENT_THREAD, &gtest_failures);\
+      if (::testing::internal::AlwaysTrue()) { statement; }\
+    }\
+  } while (::testing::internal::AlwaysFalse())
+
+#define EXPECT_NONFATAL_FAILURE_ON_ALL_THREADS(statement, substr) \
+  do {\
+    ::testing::TestPartResultArray gtest_failures;\
+    ::testing::internal::SingleFailureChecker gtest_checker(\
+        &gtest_failures, ::testing::TestPartResult::kNonFatalFailure, \
+        (substr));\
+    {\
+      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
+          ::testing::ScopedFakeTestPartResultReporter::INTERCEPT_ALL_THREADS, \
+          &gtest_failures);\
+      if (::testing::internal::AlwaysTrue()) { statement; }\
+    }\
+  } while (::testing::internal::AlwaysFalse())
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_SPI_H_
+
+#include <ctype.h>
+#include <math.h>
+#include <stdarg.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <time.h>
+#include <wchar.h>
+#include <wctype.h>
+
+#include <algorithm>
+#include <iomanip>
+#include <limits>
+#include <ostream>  // NOLINT
+#include <sstream>
+#include <vector>
+
+#if GTEST_OS_LINUX
+
+// TODO(kenton@google.com): Use autoconf to detect availability of
+// gettimeofday().
+# define GTEST_HAS_GETTIMEOFDAY_ 1
+
+# include <fcntl.h>  // NOLINT
+# include <limits.h>  // NOLINT
+# include <sched.h>  // NOLINT
+// Declares vsnprintf().  This header is not available on Windows.
+# include <strings.h>  // NOLINT
+# include <sys/mman.h>  // NOLINT
+# include <sys/time.h>  // NOLINT
+# include <unistd.h>  // NOLINT
+# include <string>
+
+#elif GTEST_OS_SYMBIAN
+# define GTEST_HAS_GETTIMEOFDAY_ 1
+# include <sys/time.h>  // NOLINT
+
+#elif GTEST_OS_ZOS
+# define GTEST_HAS_GETTIMEOFDAY_ 1
+# include <sys/time.h>  // NOLINT
+
+// On z/OS we additionally need strings.h for strcasecmp.
+# include <strings.h>  // NOLINT
+
+#elif GTEST_OS_WINDOWS_MOBILE  // We are on Windows CE.
+
+# include <windows.h>  // NOLINT
+
+#elif GTEST_OS_WINDOWS  // We are on Windows proper.
+
+# include <io.h>  // NOLINT
+# include <sys/timeb.h>  // NOLINT
+# include <sys/types.h>  // NOLINT
+# include <sys/stat.h>  // NOLINT
+
+# if GTEST_OS_WINDOWS_MINGW
+// MinGW has gettimeofday() but not _ftime64().
+// TODO(kenton@google.com): Use autoconf to detect availability of
+//   gettimeofday().
+// TODO(kenton@google.com): There are other ways to get the time on
+//   Windows, like GetTickCount() or GetSystemTimeAsFileTime().  MinGW
+//   supports these.  consider using them instead.
+#  define GTEST_HAS_GETTIMEOFDAY_ 1
+#  include <sys/time.h>  // NOLINT
+# endif  // GTEST_OS_WINDOWS_MINGW
+
+// cpplint thinks that the header is already included, so we want to
+// silence it.
+# include <windows.h>  // NOLINT
+
+#else
+
+// Assume other platforms have gettimeofday().
+// TODO(kenton@google.com): Use autoconf to detect availability of
+//   gettimeofday().
+# define GTEST_HAS_GETTIMEOFDAY_ 1
+
+// cpplint thinks that the header is already included, so we want to
+// silence it.
+# include <sys/time.h>  // NOLINT
+# include <unistd.h>  // NOLINT
+
+#endif  // GTEST_OS_LINUX
+
+#if GTEST_HAS_EXCEPTIONS
+# include <stdexcept>
+#endif
+
+#if GTEST_CAN_STREAM_RESULTS_
+# include <arpa/inet.h>  // NOLINT
+# include <netdb.h>  // NOLINT
+#endif
+
+// Indicates that this translation unit is part of Google Test's
+// implementation.  It must come before gtest-internal-inl.h is
+// included, or there will be a compiler error.  This trick is to
+// prevent a user from accidentally including gtest-internal-inl.h in
+// his code.
+#define GTEST_IMPLEMENTATION_ 1
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+
+// Utility functions and classes used by the Google C++ testing framework.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// This file contains purely Google Test's internal implementation.  Please
+// DO NOT #INCLUDE IT IN A USER PROGRAM.
+
+#ifndef GTEST_SRC_GTEST_INTERNAL_INL_H_
+#define GTEST_SRC_GTEST_INTERNAL_INL_H_
+
+// GTEST_IMPLEMENTATION_ is defined to 1 iff the current translation unit is
+// part of Google Test's implementation; otherwise it's undefined.
+#if !GTEST_IMPLEMENTATION_
+// A user is trying to include this from his code - just say no.
+# error "gtest-internal-inl.h is part of Google Test's internal implementation."
+# error "It must not be included except by Google Test itself."
+#endif  // GTEST_IMPLEMENTATION_
+
+#ifndef _WIN32_WCE
+# include <errno.h>
+#endif  // !_WIN32_WCE
+#include <stddef.h>
+#include <stdlib.h>  // For strtoll/_strtoul64/malloc/free.
+#include <string.h>  // For memmove.
+
+#include <algorithm>
+#include <string>
+#include <vector>
+
+
+#if GTEST_CAN_STREAM_RESULTS_
+# include <arpa/inet.h>  // NOLINT
+# include <netdb.h>  // NOLINT
+#endif
+
+#if GTEST_OS_WINDOWS
+# include <windows.h>  // NOLINT
+#endif  // GTEST_OS_WINDOWS
+
+
+namespace testing {
+
+// Declares the flags.
+//
+// We don't want the users to modify this flag in the code, but want
+// Google Test's own unit tests to be able to access it. Therefore we
+// declare it here as opposed to in gtest.h.
+GTEST_DECLARE_bool_(death_test_use_fork);
+
+namespace internal {
+
+// The value of GetTestTypeId() as seen from within the Google Test
+// library.  This is solely for testing GetTestTypeId().
+GTEST_API_ extern const TypeId kTestTypeIdInGoogleTest;
+
+// Names of the flags (needed for parsing Google Test flags).
+const char kAlsoRunDisabledTestsFlag[] = "also_run_disabled_tests";
+const char kBreakOnFailureFlag[] = "break_on_failure";
+const char kCatchExceptionsFlag[] = "catch_exceptions";
+const char kColorFlag[] = "color";
+const char kFilterFlag[] = "filter";
+const char kListTestsFlag[] = "list_tests";
+const char kOutputFlag[] = "output";
+const char kPrintTimeFlag[] = "print_time";
+const char kRandomSeedFlag[] = "random_seed";
+const char kRepeatFlag[] = "repeat";
+const char kShuffleFlag[] = "shuffle";
+const char kStackTraceDepthFlag[] = "stack_trace_depth";
+const char kStreamResultToFlag[] = "stream_result_to";
+const char kThrowOnFailureFlag[] = "throw_on_failure";
+
+// A valid random seed must be in [1, kMaxRandomSeed].
+const int kMaxRandomSeed = 99999;
+
+// g_help_flag is true iff the --help flag or an equivalent form is
+// specified on the command line.
+GTEST_API_ extern bool g_help_flag;
+
+// Returns the current time in milliseconds.
+GTEST_API_ TimeInMillis GetTimeInMillis();
+
+// Returns true iff Google Test should use colors in the output.
+GTEST_API_ bool ShouldUseColor(bool stdout_is_tty);
+
+// Formats the given time in milliseconds as seconds.
+GTEST_API_ std::string FormatTimeInMillisAsSeconds(TimeInMillis ms);
+
+// Converts the given time in milliseconds to a date string in the ISO 8601
+// format, without the timezone information.  N.B.: due to the use the
+// non-reentrant localtime() function, this function is not thread safe.  Do
+// not use it in any code that can be called from multiple threads.
+GTEST_API_ std::string FormatEpochTimeInMillisAsIso8601(TimeInMillis ms);
+
+// Parses a string for an Int32 flag, in the form of "--flag=value".
+//
+// On success, stores the value of the flag in *value, and returns
+// true.  On failure, returns false without changing *value.
+GTEST_API_ bool ParseInt32Flag(
+    const char* str, const char* flag, Int32* value);
+
+// Returns a random seed in range [1, kMaxRandomSeed] based on the
+// given --gtest_random_seed flag value.
+inline int GetRandomSeedFromFlag(Int32 random_seed_flag) {
+  const unsigned int raw_seed = (random_seed_flag == 0) ?
+      static_cast<unsigned int>(GetTimeInMillis()) :
+      static_cast<unsigned int>(random_seed_flag);
+
+  // Normalizes the actual seed to range [1, kMaxRandomSeed] such that
+  // it's easy to type.
+  const int normalized_seed =
+      static_cast<int>((raw_seed - 1U) %
+                       static_cast<unsigned int>(kMaxRandomSeed)) + 1;
+  return normalized_seed;
+}
+
+// Returns the first valid random seed after 'seed'.  The behavior is
+// undefined if 'seed' is invalid.  The seed after kMaxRandomSeed is
+// considered to be 1.
+inline int GetNextRandomSeed(int seed) {
+  GTEST_CHECK_(1 <= seed && seed <= kMaxRandomSeed)
+      << "Invalid random seed " << seed << " - must be in [1, "
+      << kMaxRandomSeed << "].";
+  const int next_seed = seed + 1;
+  return (next_seed > kMaxRandomSeed) ? 1 : next_seed;
+}
+
+// This class saves the values of all Google Test flags in its c'tor, and
+// restores them in its d'tor.
+class GTestFlagSaver {
+ public:
+  // The c'tor.
+  GTestFlagSaver() {
+    also_run_disabled_tests_ = GTEST_FLAG(also_run_disabled_tests);
+    break_on_failure_ = GTEST_FLAG(break_on_failure);
+    catch_exceptions_ = GTEST_FLAG(catch_exceptions);
+    color_ = GTEST_FLAG(color);
+    death_test_style_ = GTEST_FLAG(death_test_style);
+    death_test_use_fork_ = GTEST_FLAG(death_test_use_fork);
+    filter_ = GTEST_FLAG(filter);
+    internal_run_death_test_ = GTEST_FLAG(internal_run_death_test);
+    list_tests_ = GTEST_FLAG(list_tests);
+    output_ = GTEST_FLAG(output);
+    print_time_ = GTEST_FLAG(print_time);
+    random_seed_ = GTEST_FLAG(random_seed);
+    repeat_ = GTEST_FLAG(repeat);
+    shuffle_ = GTEST_FLAG(shuffle);
+    stack_trace_depth_ = GTEST_FLAG(stack_trace_depth);
+    stream_result_to_ = GTEST_FLAG(stream_result_to);
+    throw_on_failure_ = GTEST_FLAG(throw_on_failure);
+  }
+
+  // The d'tor is not virtual.  DO NOT INHERIT FROM THIS CLASS.
+  ~GTestFlagSaver() {
+    GTEST_FLAG(also_run_disabled_tests) = also_run_disabled_tests_;
+    GTEST_FLAG(break_on_failure) = break_on_failure_;
+    GTEST_FLAG(catch_exceptions) = catch_exceptions_;
+    GTEST_FLAG(color) = color_;
+    GTEST_FLAG(death_test_style) = death_test_style_;
+    GTEST_FLAG(death_test_use_fork) = death_test_use_fork_;
+    GTEST_FLAG(filter) = filter_;
+    GTEST_FLAG(internal_run_death_test) = internal_run_death_test_;
+    GTEST_FLAG(list_tests) = list_tests_;
+    GTEST_FLAG(output) = output_;
+    GTEST_FLAG(print_time) = print_time_;
+    GTEST_FLAG(random_seed) = random_seed_;
+    GTEST_FLAG(repeat) = repeat_;
+    GTEST_FLAG(shuffle) = shuffle_;
+    GTEST_FLAG(stack_trace_depth) = stack_trace_depth_;
+    GTEST_FLAG(stream_result_to) = stream_result_to_;
+    GTEST_FLAG(throw_on_failure) = throw_on_failure_;
+  }
+
+ private:
+  // Fields for saving the original values of flags.
+  bool also_run_disabled_tests_;
+  bool break_on_failure_;
+  bool catch_exceptions_;
+  std::string color_;
+  std::string death_test_style_;
+  bool death_test_use_fork_;
+  std::string filter_;
+  std::string internal_run_death_test_;
+  bool list_tests_;
+  std::string output_;
+  bool print_time_;
+  internal::Int32 random_seed_;
+  internal::Int32 repeat_;
+  bool shuffle_;
+  internal::Int32 stack_trace_depth_;
+  std::string stream_result_to_;
+  bool throw_on_failure_;
+} GTEST_ATTRIBUTE_UNUSED_;
+
+// Converts a Unicode code point to a narrow string in UTF-8 encoding.
+// code_point parameter is of type UInt32 because wchar_t may not be
+// wide enough to contain a code point.
+// If the code_point is not a valid Unicode code point
+// (i.e. outside of Unicode range U+0 to U+10FFFF) it will be converted
+// to "(Invalid Unicode 0xXXXXXXXX)".
+GTEST_API_ std::string CodePointToUtf8(UInt32 code_point);
+
+// Converts a wide string to a narrow string in UTF-8 encoding.
+// The wide string is assumed to have the following encoding:
+//   UTF-16 if sizeof(wchar_t) == 2 (on Windows, Cygwin, Symbian OS)
+//   UTF-32 if sizeof(wchar_t) == 4 (on Linux)
+// Parameter str points to a null-terminated wide string.
+// Parameter num_chars may additionally limit the number
+// of wchar_t characters processed. -1 is used when the entire string
+// should be processed.
+// If the string contains code points that are not valid Unicode code points
+// (i.e. outside of Unicode range U+0 to U+10FFFF) they will be output
+// as '(Invalid Unicode 0xXXXXXXXX)'. If the string is in UTF16 encoding
+// and contains invalid UTF-16 surrogate pairs, values in those pairs
+// will be encoded as individual Unicode characters from Basic Normal Plane.
+GTEST_API_ std::string WideStringToUtf8(const wchar_t* str, int num_chars);
+
+// Reads the GTEST_SHARD_STATUS_FILE environment variable, and creates the file
+// if the variable is present. If a file already exists at this location, this
+// function will write over it. If the variable is present, but the file cannot
+// be created, prints an error and exits.
+void WriteToShardStatusFileIfNeeded();
+
+// Checks whether sharding is enabled by examining the relevant
+// environment variable values. If the variables are present,
+// but inconsistent (e.g., shard_index >= total_shards), prints
+// an error and exits. If in_subprocess_for_death_test, sharding is
+// disabled because it must only be applied to the original test
+// process. Otherwise, we could filter out death tests we intended to execute.
+GTEST_API_ bool ShouldShard(const char* total_shards_str,
+                            const char* shard_index_str,
+                            bool in_subprocess_for_death_test);
+
+// Parses the environment variable var as an Int32. If it is unset,
+// returns default_val. If it is not an Int32, prints an error and
+// and aborts.
+GTEST_API_ Int32 Int32FromEnvOrDie(const char* env_var, Int32 default_val);
+
+// Given the total number of shards, the shard index, and the test id,
+// returns true iff the test should be run on this shard. The test id is
+// some arbitrary but unique non-negative integer assigned to each test
+// method. Assumes that 0 <= shard_index < total_shards.
+GTEST_API_ bool ShouldRunTestOnShard(
+    int total_shards, int shard_index, int test_id);
+
+// STL container utilities.
+
+// Returns the number of elements in the given container that satisfy
+// the given predicate.
+template <class Container, typename Predicate>
+inline int CountIf(const Container& c, Predicate predicate) {
+  // Implemented as an explicit loop since std::count_if() in libCstd on
+  // Solaris has a non-standard signature.
+  int count = 0;
+  for (typename Container::const_iterator it = c.begin(); it != c.end(); ++it) {
+    if (predicate(*it))
+      ++count;
+  }
+  return count;
+}
+
+// Applies a function/functor to each element in the container.
+template <class Container, typename Functor>
+void ForEach(const Container& c, Functor functor) {
+  std::for_each(c.begin(), c.end(), functor);
+}
+
+// Returns the i-th element of the vector, or default_value if i is not
+// in range [0, v.size()).
+template <typename E>
+inline E GetElementOr(const std::vector<E>& v, int i, E default_value) {
+  return (i < 0 || i >= static_cast<int>(v.size())) ? default_value : v[i];
+}
+
+// Performs an in-place shuffle of a range of the vector's elements.
+// 'begin' and 'end' are element indices as an STL-style range;
+// i.e. [begin, end) are shuffled, where 'end' == size() means to
+// shuffle to the end of the vector.
+template <typename E>
+void ShuffleRange(internal::Random* random, int begin, int end,
+                  std::vector<E>* v) {
+  const int size = static_cast<int>(v->size());
+  GTEST_CHECK_(0 <= begin && begin <= size)
+      << "Invalid shuffle range start " << begin << ": must be in range [0, "
+      << size << "].";
+  GTEST_CHECK_(begin <= end && end <= size)
+      << "Invalid shuffle range finish " << end << ": must be in range ["
+      << begin << ", " << size << "].";
+
+  // Fisher-Yates shuffle, from
+  // http://en.wikipedia.org/wiki/Fisher-Yates_shuffle
+  for (int range_width = end - begin; range_width >= 2; range_width--) {
+    const int last_in_range = begin + range_width - 1;
+    const int selected = begin + random->Generate(range_width);
+    std::swap((*v)[selected], (*v)[last_in_range]);
+  }
+}
+
+// Performs an in-place shuffle of the vector's elements.
+template <typename E>
+inline void Shuffle(internal::Random* random, std::vector<E>* v) {
+  ShuffleRange(random, 0, static_cast<int>(v->size()), v);
+}
+
+// A function for deleting an object.  Handy for being used as a
+// functor.
+template <typename T>
+static void Delete(T* x) {
+  delete x;
+}
+
+// A predicate that checks the key of a TestProperty against a known key.
+//
+// TestPropertyKeyIs is copyable.
+class TestPropertyKeyIs {
+ public:
+  // Constructor.
+  //
+  // TestPropertyKeyIs has NO default constructor.
+  explicit TestPropertyKeyIs(const std::string& key) : key_(key) {}
+
+  // Returns true iff the test name of test property matches on key_.
+  bool operator()(const TestProperty& test_property) const {
+    return test_property.key() == key_;
+  }
+
+ private:
+  std::string key_;
+};
+
+// Class UnitTestOptions.
+//
+// This class contains functions for processing options the user
+// specifies when running the tests.  It has only static members.
+//
+// In most cases, the user can specify an option using either an
+// environment variable or a command line flag.  E.g. you can set the
+// test filter using either GTEST_FILTER or --gtest_filter.  If both
+// the variable and the flag are present, the latter overrides the
+// former.
+class GTEST_API_ UnitTestOptions {
+ public:
+  // Functions for processing the gtest_output flag.
+
+  // Returns the output format, or "" for normal printed output.
+  static std::string GetOutputFormat();
+
+  // Returns the absolute path of the requested output file, or the
+  // default (test_detail.xml in the original working directory) if
+  // none was explicitly specified.
+  static std::string GetAbsolutePathToOutputFile();
+
+  // Functions for processing the gtest_filter flag.
+
+  // Returns true iff the wildcard pattern matches the string.  The
+  // first ':' or '\0' character in pattern marks the end of it.
+  //
+  // This recursive algorithm isn't very efficient, but is clear and
+  // works well enough for matching test names, which are short.
+  static bool PatternMatchesString(const char *pattern, const char *str);
+
+  // Returns true iff the user-specified filter matches the test case
+  // name and the test name.
+  static bool FilterMatchesTest(const std::string &test_case_name,
+                                const std::string &test_name);
+
+#if GTEST_OS_WINDOWS
+  // Function for supporting the gtest_catch_exception flag.
+
+  // Returns EXCEPTION_EXECUTE_HANDLER if Google Test should handle the
+  // given SEH exception, or EXCEPTION_CONTINUE_SEARCH otherwise.
+  // This function is useful as an __except condition.
+  static int GTestShouldProcessSEH(DWORD exception_code);
+#endif  // GTEST_OS_WINDOWS
+
+  // Returns true if "name" matches the ':' separated list of glob-style
+  // filters in "filter".
+  static bool MatchesFilter(const std::string& name, const char* filter);
+};
+
+// Returns the current application's name, removing directory path if that
+// is present.  Used by UnitTestOptions::GetOutputFile.
+GTEST_API_ FilePath GetCurrentExecutableName();
+
+// The role interface for getting the OS stack trace as a string.
+class OsStackTraceGetterInterface {
+ public:
+  OsStackTraceGetterInterface() {}
+  virtual ~OsStackTraceGetterInterface() {}
+
+  // Returns the current OS stack trace as an std::string.  Parameters:
+  //
+  //   max_depth  - the maximum number of stack frames to be included
+  //                in the trace.
+  //   skip_count - the number of top frames to be skipped; doesn't count
+  //                against max_depth.
+  virtual string CurrentStackTrace(int max_depth, int skip_count) = 0;
+
+  // UponLeavingGTest() should be called immediately before Google Test calls
+  // user code. It saves some information about the current stack that
+  // CurrentStackTrace() will use to find and hide Google Test stack frames.
+  virtual void UponLeavingGTest() = 0;
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(OsStackTraceGetterInterface);
+};
+
+// A working implementation of the OsStackTraceGetterInterface interface.
+class OsStackTraceGetter : public OsStackTraceGetterInterface {
+ public:
+  OsStackTraceGetter() : caller_frame_(NULL) {}
+
+  virtual string CurrentStackTrace(int max_depth, int skip_count)
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  virtual void UponLeavingGTest() GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // This string is inserted in place of stack frames that are part of
+  // Google Test's implementation.
+  static const char* const kElidedFramesMarker;
+
+ private:
+  Mutex mutex_;  // protects all internal state
+
+  // We save the stack frame below the frame that calls user code.
+  // We do this because the address of the frame immediately below
+  // the user code changes between the call to UponLeavingGTest()
+  // and any calls to CurrentStackTrace() from within the user code.
+  void* caller_frame_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(OsStackTraceGetter);
+};
+
+// Information about a Google Test trace point.
+struct TraceInfo {
+  const char* file;
+  int line;
+  std::string message;
+};
+
+// This is the default global test part result reporter used in UnitTestImpl.
+// This class should only be used by UnitTestImpl.
+class DefaultGlobalTestPartResultReporter
+  : public TestPartResultReporterInterface {
+ public:
+  explicit DefaultGlobalTestPartResultReporter(UnitTestImpl* unit_test);
+  // Implements the TestPartResultReporterInterface. Reports the test part
+  // result in the current test.
+  virtual void ReportTestPartResult(const TestPartResult& result);
+
+ private:
+  UnitTestImpl* const unit_test_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(DefaultGlobalTestPartResultReporter);
+};
+
+// This is the default per thread test part result reporter used in
+// UnitTestImpl. This class should only be used by UnitTestImpl.
+class DefaultPerThreadTestPartResultReporter
+    : public TestPartResultReporterInterface {
+ public:
+  explicit DefaultPerThreadTestPartResultReporter(UnitTestImpl* unit_test);
+  // Implements the TestPartResultReporterInterface. The implementation just
+  // delegates to the current global test part result reporter of *unit_test_.
+  virtual void ReportTestPartResult(const TestPartResult& result);
+
+ private:
+  UnitTestImpl* const unit_test_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(DefaultPerThreadTestPartResultReporter);
+};
+
+// The private implementation of the UnitTest class.  We don't protect
+// the methods under a mutex, as this class is not accessible by a
+// user and the UnitTest class that delegates work to this class does
+// proper locking.
+class GTEST_API_ UnitTestImpl {
+ public:
+  explicit UnitTestImpl(UnitTest* parent);
+  virtual ~UnitTestImpl();
+
+  // There are two different ways to register your own TestPartResultReporter.
+  // You can register your own repoter to listen either only for test results
+  // from the current thread or for results from all threads.
+  // By default, each per-thread test result repoter just passes a new
+  // TestPartResult to the global test result reporter, which registers the
+  // test part result for the currently running test.
+
+  // Returns the global test part result reporter.
+  TestPartResultReporterInterface* GetGlobalTestPartResultReporter();
+
+  // Sets the global test part result reporter.
+  void SetGlobalTestPartResultReporter(
+      TestPartResultReporterInterface* reporter);
+
+  // Returns the test part result reporter for the current thread.
+  TestPartResultReporterInterface* GetTestPartResultReporterForCurrentThread();
+
+  // Sets the test part result reporter for the current thread.
+  void SetTestPartResultReporterForCurrentThread(
+      TestPartResultReporterInterface* reporter);
+
+  // Gets the number of successful test cases.
+  int successful_test_case_count() const;
+
+  // Gets the number of failed test cases.
+  int failed_test_case_count() const;
+
+  // Gets the number of all test cases.
+  int total_test_case_count() const;
+
+  // Gets the number of all test cases that contain at least one test
+  // that should run.
+  int test_case_to_run_count() const;
+
+  // Gets the number of successful tests.
+  int successful_test_count() const;
+
+  // Gets the number of failed tests.
+  int failed_test_count() const;
+
+  // Gets the number of disabled tests that will be reported in the XML report.
+  int reportable_disabled_test_count() const;
+
+  // Gets the number of disabled tests.
+  int disabled_test_count() const;
+
+  // Gets the number of tests to be printed in the XML report.
+  int reportable_test_count() const;
+
+  // Gets the number of all tests.
+  int total_test_count() const;
+
+  // Gets the number of tests that should run.
+  int test_to_run_count() const;
+
+  // Gets the time of the test program start, in ms from the start of the
+  // UNIX epoch.
+  TimeInMillis start_timestamp() const { return start_timestamp_; }
+
+  // Gets the elapsed time, in milliseconds.
+  TimeInMillis elapsed_time() const { return elapsed_time_; }
+
+  // Returns true iff the unit test passed (i.e. all test cases passed).
+  bool Passed() const { return !Failed(); }
+
+  // Returns true iff the unit test failed (i.e. some test case failed
+  // or something outside of all tests failed).
+  bool Failed() const {
+    return failed_test_case_count() > 0 || ad_hoc_test_result()->Failed();
+  }
+
+  // Gets the i-th test case among all the test cases. i can range from 0 to
+  // total_test_case_count() - 1. If i is not in that range, returns NULL.
+  const TestCase* GetTestCase(int i) const {
+    const int index = GetElementOr(test_case_indices_, i, -1);
+    return index < 0 ? NULL : test_cases_[i];
+  }
+
+  // Gets the i-th test case among all the test cases. i can range from 0 to
+  // total_test_case_count() - 1. If i is not in that range, returns NULL.
+  TestCase* GetMutableTestCase(int i) {
+    const int index = GetElementOr(test_case_indices_, i, -1);
+    return index < 0 ? NULL : test_cases_[index];
+  }
+
+  // Provides access to the event listener list.
+  TestEventListeners* listeners() { return &listeners_; }
+
+  // Returns the TestResult for the test that's currently running, or
+  // the TestResult for the ad hoc test if no test is running.
+  TestResult* current_test_result();
+
+  // Returns the TestResult for the ad hoc test.
+  const TestResult* ad_hoc_test_result() const { return &ad_hoc_test_result_; }
+
+  // Sets the OS stack trace getter.
+  //
+  // Does nothing if the input and the current OS stack trace getter
+  // are the same; otherwise, deletes the old getter and makes the
+  // input the current getter.
+  void set_os_stack_trace_getter(OsStackTraceGetterInterface* getter);
+
+  // Returns the current OS stack trace getter if it is not NULL;
+  // otherwise, creates an OsStackTraceGetter, makes it the current
+  // getter, and returns it.
+  OsStackTraceGetterInterface* os_stack_trace_getter();
+
+  // Returns the current OS stack trace as an std::string.
+  //
+  // The maximum number of stack frames to be included is specified by
+  // the gtest_stack_trace_depth flag.  The skip_count parameter
+  // specifies the number of top frames to be skipped, which doesn't
+  // count against the number of frames to be included.
+  //
+  // For example, if Foo() calls Bar(), which in turn calls
+  // CurrentOsStackTraceExceptTop(1), Foo() will be included in the
+  // trace but Bar() and CurrentOsStackTraceExceptTop() won't.
+  std::string CurrentOsStackTraceExceptTop(int skip_count) GTEST_NO_INLINE_;
+
+  // Finds and returns a TestCase with the given name.  If one doesn't
+  // exist, creates one and returns it.
+  //
+  // Arguments:
+  //
+  //   test_case_name: name of the test case
+  //   type_param:     the name of the test's type parameter, or NULL if
+  //                   this is not a typed or a type-parameterized test.
+  //   set_up_tc:      pointer to the function that sets up the test case
+  //   tear_down_tc:   pointer to the function that tears down the test case
+  TestCase* GetTestCase(const char* test_case_name,
+                        const char* type_param,
+                        Test::SetUpTestCaseFunc set_up_tc,
+                        Test::TearDownTestCaseFunc tear_down_tc);
+
+  // Adds a TestInfo to the unit test.
+  //
+  // Arguments:
+  //
+  //   set_up_tc:    pointer to the function that sets up the test case
+  //   tear_down_tc: pointer to the function that tears down the test case
+  //   test_info:    the TestInfo object
+  void AddTestInfo(Test::SetUpTestCaseFunc set_up_tc,
+                   Test::TearDownTestCaseFunc tear_down_tc,
+                   TestInfo* test_info) {
+    // In order to support thread-safe death tests, we need to
+    // remember the original working directory when the test program
+    // was first invoked.  We cannot do this in RUN_ALL_TESTS(), as
+    // the user may have changed the current directory before calling
+    // RUN_ALL_TESTS().  Therefore we capture the current directory in
+    // AddTestInfo(), which is called to register a TEST or TEST_F
+    // before main() is reached.
+    if (original_working_dir_.IsEmpty()) {
+      original_working_dir_.Set(FilePath::GetCurrentDir());
+      GTEST_CHECK_(!original_working_dir_.IsEmpty())
+          << "Failed to get the current working directory.";
+    }
+
+    GetTestCase(test_info->test_case_name(),
+                test_info->type_param(),
+                set_up_tc,
+                tear_down_tc)->AddTestInfo(test_info);
+  }
+
+#if GTEST_HAS_PARAM_TEST
+  // Returns ParameterizedTestCaseRegistry object used to keep track of
+  // value-parameterized tests and instantiate and register them.
+  internal::ParameterizedTestCaseRegistry& parameterized_test_registry() {
+    return parameterized_test_registry_;
+  }
+#endif  // GTEST_HAS_PARAM_TEST
+
+  // Sets the TestCase object for the test that's currently running.
+  void set_current_test_case(TestCase* a_current_test_case) {
+    current_test_case_ = a_current_test_case;
+  }
+
+  // Sets the TestInfo object for the test that's currently running.  If
+  // current_test_info is NULL, the assertion results will be stored in
+  // ad_hoc_test_result_.
+  void set_current_test_info(TestInfo* a_current_test_info) {
+    current_test_info_ = a_current_test_info;
+  }
+
+  // Registers all parameterized tests defined using TEST_P and
+  // INSTANTIATE_TEST_CASE_P, creating regular tests for each test/parameter
+  // combination. This method can be called more then once; it has guards
+  // protecting from registering the tests more then once.  If
+  // value-parameterized tests are disabled, RegisterParameterizedTests is
+  // present but does nothing.
+  void RegisterParameterizedTests();
+
+  // Runs all tests in this UnitTest object, prints the result, and
+  // returns true if all tests are successful.  If any exception is
+  // thrown during a test, this test is considered to be failed, but
+  // the rest of the tests will still be run.
+  bool RunAllTests();
+
+  // Clears the results of all tests, except the ad hoc tests.
+  void ClearNonAdHocTestResult() {
+    ForEach(test_cases_, TestCase::ClearTestCaseResult);
+  }
+
+  // Clears the results of ad-hoc test assertions.
+  void ClearAdHocTestResult() {
+    ad_hoc_test_result_.Clear();
+  }
+
+  // Adds a TestProperty to the current TestResult object when invoked in a
+  // context of a test or a test case, or to the global property set. If the
+  // result already contains a property with the same key, the value will be
+  // updated.
+  void RecordProperty(const TestProperty& test_property);
+
+  enum ReactionToSharding {
+    HONOR_SHARDING_PROTOCOL,
+    IGNORE_SHARDING_PROTOCOL
+  };
+
+  // Matches the full name of each test against the user-specified
+  // filter to decide whether the test should run, then records the
+  // result in each TestCase and TestInfo object.
+  // If shard_tests == HONOR_SHARDING_PROTOCOL, further filters tests
+  // based on sharding variables in the environment.
+  // Returns the number of tests that should run.
+  int FilterTests(ReactionToSharding shard_tests);
+
+  // Prints the names of the tests matching the user-specified filter flag.
+  void ListTestsMatchingFilter();
+
+  const TestCase* current_test_case() const { return current_test_case_; }
+  TestInfo* current_test_info() { return current_test_info_; }
+  const TestInfo* current_test_info() const { return current_test_info_; }
+
+  // Returns the vector of environments that need to be set-up/torn-down
+  // before/after the tests are run.
+  std::vector<Environment*>& environments() { return environments_; }
+
+  // Getters for the per-thread Google Test trace stack.
+  std::vector<TraceInfo>& gtest_trace_stack() {
+    return *(gtest_trace_stack_.pointer());
+  }
+  const std::vector<TraceInfo>& gtest_trace_stack() const {
+    return gtest_trace_stack_.get();
+  }
+
+#if GTEST_HAS_DEATH_TEST
+  void InitDeathTestSubprocessControlInfo() {
+    internal_run_death_test_flag_.reset(ParseInternalRunDeathTestFlag());
+  }
+  // Returns a pointer to the parsed --gtest_internal_run_death_test
+  // flag, or NULL if that flag was not specified.
+  // This information is useful only in a death test child process.
+  // Must not be called before a call to InitGoogleTest.
+  const InternalRunDeathTestFlag* internal_run_death_test_flag() const {
+    return internal_run_death_test_flag_.get();
+  }
+
+  // Returns a pointer to the current death test factory.
+  internal::DeathTestFactory* death_test_factory() {
+    return death_test_factory_.get();
+  }
+
+  void SuppressTestEventsIfInSubprocess();
+
+  friend class ReplaceDeathTestFactory;
+#endif  // GTEST_HAS_DEATH_TEST
+
+  // Initializes the event listener performing XML output as specified by
+  // UnitTestOptions. Must not be called before InitGoogleTest.
+  void ConfigureXmlOutput();
+
+#if GTEST_CAN_STREAM_RESULTS_
+  // Initializes the event listener for streaming test results to a socket.
+  // Must not be called before InitGoogleTest.
+  void ConfigureStreamingOutput();
+#endif
+
+  // Performs initialization dependent upon flag values obtained in
+  // ParseGoogleTestFlagsOnly.  Is called from InitGoogleTest after the call to
+  // ParseGoogleTestFlagsOnly.  In case a user neglects to call InitGoogleTest
+  // this function is also called from RunAllTests.  Since this function can be
+  // called more than once, it has to be idempotent.
+  void PostFlagParsingInit();
+
+  // Gets the random seed used at the start of the current test iteration.
+  int random_seed() const { return random_seed_; }
+
+  // Gets the random number generator.
+  internal::Random* random() { return &random_; }
+
+  // Shuffles all test cases, and the tests within each test case,
+  // making sure that death tests are still run first.
+  void ShuffleTests();
+
+  // Restores the test cases and tests to their order before the first shuffle.
+  void UnshuffleTests();
+
+  // Returns the value of GTEST_FLAG(catch_exceptions) at the moment
+  // UnitTest::Run() starts.
+  bool catch_exceptions() const { return catch_exceptions_; }
+
+ private:
+  friend class ::testing::UnitTest;
+
+  // Used by UnitTest::Run() to capture the state of
+  // GTEST_FLAG(catch_exceptions) at the moment it starts.
+  void set_catch_exceptions(bool value) { catch_exceptions_ = value; }
+
+  // The UnitTest object that owns this implementation object.
+  UnitTest* const parent_;
+
+  // The working directory when the first TEST() or TEST_F() was
+  // executed.
+  internal::FilePath original_working_dir_;
+
+  // The default test part result reporters.
+  DefaultGlobalTestPartResultReporter default_global_test_part_result_reporter_;
+  DefaultPerThreadTestPartResultReporter
+      default_per_thread_test_part_result_reporter_;
+
+  // Points to (but doesn't own) the global test part result reporter.
+  TestPartResultReporterInterface* global_test_part_result_repoter_;
+
+  // Protects read and write access to global_test_part_result_reporter_.
+  internal::Mutex global_test_part_result_reporter_mutex_;
+
+  // Points to (but doesn't own) the per-thread test part result reporter.
+  internal::ThreadLocal<TestPartResultReporterInterface*>
+      per_thread_test_part_result_reporter_;
+
+  // The vector of environments that need to be set-up/torn-down
+  // before/after the tests are run.
+  std::vector<Environment*> environments_;
+
+  // The vector of TestCases in their original order.  It owns the
+  // elements in the vector.
+  std::vector<TestCase*> test_cases_;
+
+  // Provides a level of indirection for the test case list to allow
+  // easy shuffling and restoring the test case order.  The i-th
+  // element of this vector is the index of the i-th test case in the
+  // shuffled order.
+  std::vector<int> test_case_indices_;
+
+#if GTEST_HAS_PARAM_TEST
+  // ParameterizedTestRegistry object used to register value-parameterized
+  // tests.
+  internal::ParameterizedTestCaseRegistry parameterized_test_registry_;
+
+  // Indicates whether RegisterParameterizedTests() has been called already.
+  bool parameterized_tests_registered_;
+#endif  // GTEST_HAS_PARAM_TEST
+
+  // Index of the last death test case registered.  Initially -1.
+  int last_death_test_case_;
+
+  // This points to the TestCase for the currently running test.  It
+  // changes as Google Test goes through one test case after another.
+  // When no test is running, this is set to NULL and Google Test
+  // stores assertion results in ad_hoc_test_result_.  Initially NULL.
+  TestCase* current_test_case_;
+
+  // This points to the TestInfo for the currently running test.  It
+  // changes as Google Test goes through one test after another.  When
+  // no test is running, this is set to NULL and Google Test stores
+  // assertion results in ad_hoc_test_result_.  Initially NULL.
+  TestInfo* current_test_info_;
+
+  // Normally, a user only writes assertions inside a TEST or TEST_F,
+  // or inside a function called by a TEST or TEST_F.  Since Google
+  // Test keeps track of which test is current running, it can
+  // associate such an assertion with the test it belongs to.
+  //
+  // If an assertion is encountered when no TEST or TEST_F is running,
+  // Google Test attributes the assertion result to an imaginary "ad hoc"
+  // test, and records the result in ad_hoc_test_result_.
+  TestResult ad_hoc_test_result_;
+
+  // The list of event listeners that can be used to track events inside
+  // Google Test.
+  TestEventListeners listeners_;
+
+  // The OS stack trace getter.  Will be deleted when the UnitTest
+  // object is destructed.  By default, an OsStackTraceGetter is used,
+  // but the user can set this field to use a custom getter if that is
+  // desired.
+  OsStackTraceGetterInterface* os_stack_trace_getter_;
+
+  // True iff PostFlagParsingInit() has been called.
+  bool post_flag_parse_init_performed_;
+
+  // The random number seed used at the beginning of the test run.
+  int random_seed_;
+
+  // Our random number generator.
+  internal::Random random_;
+
+  // The time of the test program start, in ms from the start of the
+  // UNIX epoch.
+  TimeInMillis start_timestamp_;
+
+  // How long the test took to run, in milliseconds.
+  TimeInMillis elapsed_time_;
+
+#if GTEST_HAS_DEATH_TEST
+  // The decomposed components of the gtest_internal_run_death_test flag,
+  // parsed when RUN_ALL_TESTS is called.
+  internal::scoped_ptr<InternalRunDeathTestFlag> internal_run_death_test_flag_;
+  internal::scoped_ptr<internal::DeathTestFactory> death_test_factory_;
+#endif  // GTEST_HAS_DEATH_TEST
+
+  // A per-thread stack of traces created by the SCOPED_TRACE() macro.
+  internal::ThreadLocal<std::vector<TraceInfo> > gtest_trace_stack_;
+
+  // The value of GTEST_FLAG(catch_exceptions) at the moment RunAllTests()
+  // starts.
+  bool catch_exceptions_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(UnitTestImpl);
+};  // class UnitTestImpl
+
+// Convenience function for accessing the global UnitTest
+// implementation object.
+inline UnitTestImpl* GetUnitTestImpl() {
+  return UnitTest::GetInstance()->impl();
+}
+
+#if GTEST_USES_SIMPLE_RE
+
+// Internal helper functions for implementing the simple regular
+// expression matcher.
+GTEST_API_ bool IsInSet(char ch, const char* str);
+GTEST_API_ bool IsAsciiDigit(char ch);
+GTEST_API_ bool IsAsciiPunct(char ch);
+GTEST_API_ bool IsRepeat(char ch);
+GTEST_API_ bool IsAsciiWhiteSpace(char ch);
+GTEST_API_ bool IsAsciiWordChar(char ch);
+GTEST_API_ bool IsValidEscape(char ch);
+GTEST_API_ bool AtomMatchesChar(bool escaped, char pattern, char ch);
+GTEST_API_ bool ValidateRegex(const char* regex);
+GTEST_API_ bool MatchRegexAtHead(const char* regex, const char* str);
+GTEST_API_ bool MatchRepetitionAndRegexAtHead(
+    bool escaped, char ch, char repeat, const char* regex, const char* str);
+GTEST_API_ bool MatchRegexAnywhere(const char* regex, const char* str);
+
+#endif  // GTEST_USES_SIMPLE_RE
+
+// Parses the command line for Google Test flags, without initializing
+// other parts of Google Test.
+GTEST_API_ void ParseGoogleTestFlagsOnly(int* argc, char** argv);
+GTEST_API_ void ParseGoogleTestFlagsOnly(int* argc, wchar_t** argv);
+
+#if GTEST_HAS_DEATH_TEST
+
+// Returns the message describing the last system error, regardless of the
+// platform.
+GTEST_API_ std::string GetLastErrnoDescription();
+
+# if GTEST_OS_WINDOWS
+// Provides leak-safe Windows kernel handle ownership.
+class AutoHandle {
+ public:
+  AutoHandle() : handle_(INVALID_HANDLE_VALUE) {}
+  explicit AutoHandle(HANDLE handle) : handle_(handle) {}
+
+  ~AutoHandle() { Reset(); }
+
+  HANDLE Get() const { return handle_; }
+  void Reset() { Reset(INVALID_HANDLE_VALUE); }
+  void Reset(HANDLE handle) {
+    if (handle != handle_) {
+      if (handle_ != INVALID_HANDLE_VALUE)
+        ::CloseHandle(handle_);
+      handle_ = handle;
+    }
+  }
+
+ private:
+  HANDLE handle_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(AutoHandle);
+};
+# endif  // GTEST_OS_WINDOWS
+
+// Attempts to parse a string into a positive integer pointed to by the
+// number parameter.  Returns true if that is possible.
+// GTEST_HAS_DEATH_TEST implies that we have ::std::string, so we can use
+// it here.
+template <typename Integer>
+bool ParseNaturalNumber(const ::std::string& str, Integer* number) {
+  // Fail fast if the given string does not begin with a digit;
+  // this bypasses strtoXXX's "optional leading whitespace and plus
+  // or minus sign" semantics, which are undesirable here.
+  if (str.empty() || !IsDigit(str[0])) {
+    return false;
+  }
+  errno = 0;
+
+  char* end;
+  // BiggestConvertible is the largest integer type that system-provided
+  // string-to-number conversion routines can return.
+
+# if GTEST_OS_WINDOWS && !defined(__GNUC__)
+
+  // MSVC and C++ Builder define __int64 instead of the standard long long.
+  typedef unsigned __int64 BiggestConvertible;
+  const BiggestConvertible parsed = _strtoui64(str.c_str(), &end, 10);
+
+# else
+
+  typedef unsigned long long BiggestConvertible;  // NOLINT
+  const BiggestConvertible parsed = strtoull(str.c_str(), &end, 10);
+
+# endif  // GTEST_OS_WINDOWS && !defined(__GNUC__)
+
+  const bool parse_success = *end == '\0' && errno == 0;
+
+  // TODO(vladl@google.com): Convert this to compile time assertion when it is
+  // available.
+  GTEST_CHECK_(sizeof(Integer) <= sizeof(parsed));
+
+  const Integer result = static_cast<Integer>(parsed);
+  if (parse_success && static_cast<BiggestConvertible>(result) == parsed) {
+    *number = result;
+    return true;
+  }
+  return false;
+}
+#endif  // GTEST_HAS_DEATH_TEST
+
+// TestResult contains some private methods that should be hidden from
+// Google Test user but are required for testing. This class allow our tests
+// to access them.
+//
+// This class is supplied only for the purpose of testing Google Test's own
+// constructs. Do not use it in user tests, either directly or indirectly.
+class TestResultAccessor {
+ public:
+  static void RecordProperty(TestResult* test_result,
+                             const std::string& xml_element,
+                             const TestProperty& property) {
+    test_result->RecordProperty(xml_element, property);
+  }
+
+  static void ClearTestPartResults(TestResult* test_result) {
+    test_result->ClearTestPartResults();
+  }
+
+  static const std::vector<testing::TestPartResult>& test_part_results(
+      const TestResult& test_result) {
+    return test_result.test_part_results();
+  }
+};
+
+#if GTEST_CAN_STREAM_RESULTS_
+
+// Streams test results to the given port on the given host machine.
+class StreamingListener : public EmptyTestEventListener {
+ public:
+  // Abstract base class for writing strings to a socket.
+  class AbstractSocketWriter {
+   public:
+    virtual ~AbstractSocketWriter() {}
+
+    // Sends a string to the socket.
+    virtual void Send(const string& message) = 0;
+
+    // Closes the socket.
+    virtual void CloseConnection() {}
+
+    // Sends a string and a newline to the socket.
+    void SendLn(const string& message) {
+      Send(message + "\n");
+    }
+  };
+
+  // Concrete class for actually writing strings to a socket.
+  class SocketWriter : public AbstractSocketWriter {
+   public:
+    SocketWriter(const string& host, const string& port)
+        : sockfd_(-1), host_name_(host), port_num_(port) {
+      MakeConnection();
+    }
+
+    virtual ~SocketWriter() {
+      if (sockfd_ != -1)
+        CloseConnection();
+    }
+
+    // Sends a string to the socket.
+    virtual void Send(const string& message) {
+      GTEST_CHECK_(sockfd_ != -1)
+          << "Send() can be called only when there is a connection.";
+
+      const int len = static_cast<int>(message.length());
+      if (write(sockfd_, message.c_str(), len) != len) {
+        GTEST_LOG_(WARNING)
+            << "stream_result_to: failed to stream to "
+            << host_name_ << ":" << port_num_;
+      }
+    }
+
+   private:
+    // Creates a client socket and connects to the server.
+    void MakeConnection();
+
+    // Closes the socket.
+    void CloseConnection() {
+      GTEST_CHECK_(sockfd_ != -1)
+          << "CloseConnection() can be called only when there is a connection.";
+
+      close(sockfd_);
+      sockfd_ = -1;
+    }
+
+    int sockfd_;  // socket file descriptor
+    const string host_name_;
+    const string port_num_;
+
+    GTEST_DISALLOW_COPY_AND_ASSIGN_(SocketWriter);
+  };  // class SocketWriter
+
+  // Escapes '=', '&', '%', and '\n' characters in str as "%xx".
+  static string UrlEncode(const char* str);
+
+  StreamingListener(const string& host, const string& port)
+      : socket_writer_(new SocketWriter(host, port)) { Start(); }
+
+  explicit StreamingListener(AbstractSocketWriter* socket_writer)
+      : socket_writer_(socket_writer) { Start(); }
+
+  void OnTestProgramStart(const UnitTest& /* unit_test */) {
+    SendLn("event=TestProgramStart");
+  }
+
+  void OnTestProgramEnd(const UnitTest& unit_test) {
+    // Note that Google Test current only report elapsed time for each
+    // test iteration, not for the entire test program.
+    SendLn("event=TestProgramEnd&passed=" + FormatBool(unit_test.Passed()));
+
+    // Notify the streaming server to stop.
+    socket_writer_->CloseConnection();
+  }
+
+  void OnTestIterationStart(const UnitTest& /* unit_test */, int iteration) {
+    SendLn("event=TestIterationStart&iteration=" +
+           StreamableToString(iteration));
+  }
+
+  void OnTestIterationEnd(const UnitTest& unit_test, int /* iteration */) {
+    SendLn("event=TestIterationEnd&passed=" +
+           FormatBool(unit_test.Passed()) + "&elapsed_time=" +
+           StreamableToString(unit_test.elapsed_time()) + "ms");
+  }
+
+  void OnTestCaseStart(const TestCase& test_case) {
+    SendLn(std::string("event=TestCaseStart&name=") + test_case.name());
+  }
+
+  void OnTestCaseEnd(const TestCase& test_case) {
+    SendLn("event=TestCaseEnd&passed=" + FormatBool(test_case.Passed())
+           + "&elapsed_time=" + StreamableToString(test_case.elapsed_time())
+           + "ms");
+  }
+
+  void OnTestStart(const TestInfo& test_info) {
+    SendLn(std::string("event=TestStart&name=") + test_info.name());
+  }
+
+  void OnTestEnd(const TestInfo& test_info) {
+    SendLn("event=TestEnd&passed=" +
+           FormatBool((test_info.result())->Passed()) +
+           "&elapsed_time=" +
+           StreamableToString((test_info.result())->elapsed_time()) + "ms");
+  }
+
+  void OnTestPartResult(const TestPartResult& test_part_result) {
+    const char* file_name = test_part_result.file_name();
+    if (file_name == NULL)
+      file_name = "";
+    SendLn("event=TestPartResult&file=" + UrlEncode(file_name) +
+           "&line=" + StreamableToString(test_part_result.line_number()) +
+           "&message=" + UrlEncode(test_part_result.message()));
+  }
+
+ private:
+  // Sends the given message and a newline to the socket.
+  void SendLn(const string& message) { socket_writer_->SendLn(message); }
+
+  // Called at the start of streaming to notify the receiver what
+  // protocol we are using.
+  void Start() { SendLn("gtest_streaming_protocol_version=1.0"); }
+
+  string FormatBool(bool value) { return value ? "1" : "0"; }
+
+  const scoped_ptr<AbstractSocketWriter> socket_writer_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(StreamingListener);
+};  // class StreamingListener
+
+#endif  // GTEST_CAN_STREAM_RESULTS_
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_SRC_GTEST_INTERNAL_INL_H_
+#undef GTEST_IMPLEMENTATION_
+
+#if GTEST_OS_WINDOWS
+# define vsnprintf _vsnprintf
+#endif  // GTEST_OS_WINDOWS
+
+namespace testing {
+
+using internal::CountIf;
+using internal::ForEach;
+using internal::GetElementOr;
+using internal::Shuffle;
+
+// Constants.
+
+// A test whose test case name or test name matches this filter is
+// disabled and not run.
+static const char kDisableTestFilter[] = "DISABLED_*:*/DISABLED_*";
+
+// A test case whose name matches this filter is considered a death
+// test case and will be run before test cases whose name doesn't
+// match this filter.
+static const char kDeathTestCaseFilter[] = "*DeathTest:*DeathTest/*";
+
+// A test filter that matches everything.
+static const char kUniversalFilter[] = "*";
+
+// The default output file for XML output.
+static const char kDefaultOutputFile[] = "test_detail.xml";
+
+// The environment variable name for the test shard index.
+static const char kTestShardIndex[] = "GTEST_SHARD_INDEX";
+// The environment variable name for the total number of test shards.
+static const char kTestTotalShards[] = "GTEST_TOTAL_SHARDS";
+// The environment variable name for the test shard status file.
+static const char kTestShardStatusFile[] = "GTEST_SHARD_STATUS_FILE";
+
+namespace internal {
+
+// The text used in failure messages to indicate the start of the
+// stack trace.
+const char kStackTraceMarker[] = "\nStack trace:\n";
+
+// g_help_flag is true iff the --help flag or an equivalent form is
+// specified on the command line.
+bool g_help_flag = false;
+
+}  // namespace internal
+
+static const char* GetDefaultFilter() {
+  return kUniversalFilter;
+}
+
+GTEST_DEFINE_bool_(
+    also_run_disabled_tests,
+    internal::BoolFromGTestEnv("also_run_disabled_tests", false),
+    "Run disabled tests too, in addition to the tests normally being run.");
+
+GTEST_DEFINE_bool_(
+    break_on_failure,
+    internal::BoolFromGTestEnv("break_on_failure", false),
+    "True iff a failed assertion should be a debugger break-point.");
+
+GTEST_DEFINE_bool_(
+    catch_exceptions,
+    internal::BoolFromGTestEnv("catch_exceptions", true),
+    "True iff " GTEST_NAME_
+    " should catch exceptions and treat them as test failures.");
+
+GTEST_DEFINE_string_(
+    color,
+    internal::StringFromGTestEnv("color", "auto"),
+    "Whether to use colors in the output.  Valid values: yes, no, "
+    "and auto.  'auto' means to use colors if the output is "
+    "being sent to a terminal and the TERM environment variable "
+    "is set to a terminal type that supports colors.");
+
+GTEST_DEFINE_string_(
+    filter,
+    internal::StringFromGTestEnv("filter", GetDefaultFilter()),
+    "A colon-separated list of glob (not regex) patterns "
+    "for filtering the tests to run, optionally followed by a "
+    "'-' and a : separated list of negative patterns (tests to "
+    "exclude).  A test is run if it matches one of the positive "
+    "patterns and does not match any of the negative patterns.");
+
+GTEST_DEFINE_bool_(list_tests, false,
+                   "List all tests without running them.");
+
+GTEST_DEFINE_string_(
+    output,
+    internal::StringFromGTestEnv("output", ""),
+    "A format (currently must be \"xml\"), optionally followed "
+    "by a colon and an output file name or directory. A directory "
+    "is indicated by a trailing pathname separator. "
+    "Examples: \"xml:filename.xml\", \"xml::directoryname/\". "
+    "If a directory is specified, output files will be created "
+    "within that directory, with file-names based on the test "
+    "executable's name and, if necessary, made unique by adding "
+    "digits.");
+
+GTEST_DEFINE_bool_(
+    print_time,
+    internal::BoolFromGTestEnv("print_time", true),
+    "True iff " GTEST_NAME_
+    " should display elapsed time in text output.");
+
+GTEST_DEFINE_int32_(
+    random_seed,
+    internal::Int32FromGTestEnv("random_seed", 0),
+    "Random number seed to use when shuffling test orders.  Must be in range "
+    "[1, 99999], or 0 to use a seed based on the current time.");
+
+GTEST_DEFINE_int32_(
+    repeat,
+    internal::Int32FromGTestEnv("repeat", 1),
+    "How many times to repeat each test.  Specify a negative number "
+    "for repeating forever.  Useful for shaking out flaky tests.");
+
+GTEST_DEFINE_bool_(
+    show_internal_stack_frames, false,
+    "True iff " GTEST_NAME_ " should include internal stack frames when "
+    "printing test failure stack traces.");
+
+GTEST_DEFINE_bool_(
+    shuffle,
+    internal::BoolFromGTestEnv("shuffle", false),
+    "True iff " GTEST_NAME_
+    " should randomize tests' order on every run.");
+
+GTEST_DEFINE_int32_(
+    stack_trace_depth,
+    internal::Int32FromGTestEnv("stack_trace_depth", kMaxStackTraceDepth),
+    "The maximum number of stack frames to print when an "
+    "assertion fails.  The valid range is 0 through 100, inclusive.");
+
+GTEST_DEFINE_string_(
+    stream_result_to,
+    internal::StringFromGTestEnv("stream_result_to", ""),
+    "This flag specifies the host name and the port number on which to stream "
+    "test results. Example: \"localhost:555\". The flag is effective only on "
+    "Linux.");
+
+GTEST_DEFINE_bool_(
+    throw_on_failure,
+    internal::BoolFromGTestEnv("throw_on_failure", false),
+    "When this flag is specified, a failed assertion will throw an exception "
+    "if exceptions are enabled or exit the program with a non-zero code "
+    "otherwise.");
+
+namespace internal {
+
+// Generates a random number from [0, range), using a Linear
+// Congruential Generator (LCG).  Crashes if 'range' is 0 or greater
+// than kMaxRange.
+UInt32 Random::Generate(UInt32 range) {
+  // These constants are the same as are used in glibc's rand(3).
+  state_ = (1103515245U*state_ + 12345U) % kMaxRange;
+
+  GTEST_CHECK_(range > 0)
+      << "Cannot generate a number in the range [0, 0).";
+  GTEST_CHECK_(range <= kMaxRange)
+      << "Generation of a number in [0, " << range << ") was requested, "
+      << "but this can only generate numbers in [0, " << kMaxRange << ").";
+
+  // Converting via modulus introduces a bit of downward bias, but
+  // it's simple, and a linear congruential generator isn't too good
+  // to begin with.
+  return state_ % range;
+}
+
+// GTestIsInitialized() returns true iff the user has initialized
+// Google Test.  Useful for catching the user mistake of not initializing
+// Google Test before calling RUN_ALL_TESTS().
+//
+// A user must call testing::InitGoogleTest() to initialize Google
+// Test.  g_init_gtest_count is set to the number of times
+// InitGoogleTest() has been called.  We don't protect this variable
+// under a mutex as it is only accessed in the main thread.
+GTEST_API_ int g_init_gtest_count = 0;
+static bool GTestIsInitialized() { return g_init_gtest_count != 0; }
+
+// Iterates over a vector of TestCases, keeping a running sum of the
+// results of calling a given int-returning method on each.
+// Returns the sum.
+static int SumOverTestCaseList(const std::vector<TestCase*>& case_list,
+                               int (TestCase::*method)() const) {
+  int sum = 0;
+  for (size_t i = 0; i < case_list.size(); i++) {
+    sum += (case_list[i]->*method)();
+  }
+  return sum;
+}
+
+// Returns true iff the test case passed.
+static bool TestCasePassed(const TestCase* test_case) {
+  return test_case->should_run() && test_case->Passed();
+}
+
+// Returns true iff the test case failed.
+static bool TestCaseFailed(const TestCase* test_case) {
+  return test_case->should_run() && test_case->Failed();
+}
+
+// Returns true iff test_case contains at least one test that should
+// run.
+static bool ShouldRunTestCase(const TestCase* test_case) {
+  return test_case->should_run();
+}
+
+// AssertHelper constructor.
+AssertHelper::AssertHelper(TestPartResult::Type type,
+                           const char* file,
+                           int line,
+                           const char* message)
+    : data_(new AssertHelperData(type, file, line, message)) {
+}
+
+AssertHelper::~AssertHelper() {
+  delete data_;
+}
+
+// Message assignment, for assertion streaming support.
+void AssertHelper::operator=(const Message& message) const {
+  UnitTest::GetInstance()->
+    AddTestPartResult(data_->type, data_->file, data_->line,
+                      AppendUserMessage(data_->message, message),
+                      UnitTest::GetInstance()->impl()
+                      ->CurrentOsStackTraceExceptTop(1)
+                      // Skips the stack frame for this function itself.
+                      );  // NOLINT
+}
+
+// Mutex for linked pointers.
+GTEST_API_ GTEST_DEFINE_STATIC_MUTEX_(g_linked_ptr_mutex);
+
+// Application pathname gotten in InitGoogleTest.
+std::string g_executable_path;
+
+// Returns the current application's name, removing directory path if that
+// is present.
+FilePath GetCurrentExecutableName() {
+  FilePath result;
+
+#if GTEST_OS_WINDOWS
+  result.Set(FilePath(g_executable_path).RemoveExtension("exe"));
+#else
+  result.Set(FilePath(g_executable_path));
+#endif  // GTEST_OS_WINDOWS
+
+  return result.RemoveDirectoryName();
+}
+
+// Functions for processing the gtest_output flag.
+
+// Returns the output format, or "" for normal printed output.
+std::string UnitTestOptions::GetOutputFormat() {
+  const char* const gtest_output_flag = GTEST_FLAG(output).c_str();
+  if (gtest_output_flag == NULL) return std::string("");
+
+  const char* const colon = strchr(gtest_output_flag, ':');
+  return (colon == NULL) ?
+      std::string(gtest_output_flag) :
+      std::string(gtest_output_flag, colon - gtest_output_flag);
+}
+
+// Returns the name of the requested output file, or the default if none
+// was explicitly specified.
+std::string UnitTestOptions::GetAbsolutePathToOutputFile() {
+  const char* const gtest_output_flag = GTEST_FLAG(output).c_str();
+  if (gtest_output_flag == NULL)
+    return "";
+
+  const char* const colon = strchr(gtest_output_flag, ':');
+  if (colon == NULL)
+    return internal::FilePath::ConcatPaths(
+        internal::FilePath(
+            UnitTest::GetInstance()->original_working_dir()),
+        internal::FilePath(kDefaultOutputFile)).string();
+
+  internal::FilePath output_name(colon + 1);
+  if (!output_name.IsAbsolutePath())
+    // TODO(wan@google.com): on Windows \some\path is not an absolute
+    // path (as its meaning depends on the current drive), yet the
+    // following logic for turning it into an absolute path is wrong.
+    // Fix it.
+    output_name = internal::FilePath::ConcatPaths(
+        internal::FilePath(UnitTest::GetInstance()->original_working_dir()),
+        internal::FilePath(colon + 1));
+
+  if (!output_name.IsDirectory())
+    return output_name.string();
+
+  internal::FilePath result(internal::FilePath::GenerateUniqueFileName(
+      output_name, internal::GetCurrentExecutableName(),
+      GetOutputFormat().c_str()));
+  return result.string();
+}
+
+// Returns true iff the wildcard pattern matches the string.  The
+// first ':' or '\0' character in pattern marks the end of it.
+//
+// This recursive algorithm isn't very efficient, but is clear and
+// works well enough for matching test names, which are short.
+bool UnitTestOptions::PatternMatchesString(const char *pattern,
+                                           const char *str) {
+  switch (*pattern) {
+    case '\0':
+    case ':':  // Either ':' or '\0' marks the end of the pattern.
+      return *str == '\0';
+    case '?':  // Matches any single character.
+      return *str != '\0' && PatternMatchesString(pattern + 1, str + 1);
+    case '*':  // Matches any string (possibly empty) of characters.
+      return (*str != '\0' && PatternMatchesString(pattern, str + 1)) ||
+          PatternMatchesString(pattern + 1, str);
+    default:  // Non-special character.  Matches itself.
+      return *pattern == *str &&
+          PatternMatchesString(pattern + 1, str + 1);
+  }
+}
+
+bool UnitTestOptions::MatchesFilter(
+    const std::string& name, const char* filter) {
+  const char *cur_pattern = filter;
+  for (;;) {
+    if (PatternMatchesString(cur_pattern, name.c_str())) {
+      return true;
+    }
+
+    // Finds the next pattern in the filter.
+    cur_pattern = strchr(cur_pattern, ':');
+
+    // Returns if no more pattern can be found.
+    if (cur_pattern == NULL) {
+      return false;
+    }
+
+    // Skips the pattern separater (the ':' character).
+    cur_pattern++;
+  }
+}
+
+// Returns true iff the user-specified filter matches the test case
+// name and the test name.
+bool UnitTestOptions::FilterMatchesTest(const std::string &test_case_name,
+                                        const std::string &test_name) {
+  const std::string& full_name = test_case_name + "." + test_name.c_str();
+
+  // Split --gtest_filter at '-', if there is one, to separate into
+  // positive filter and negative filter portions
+  const char* const p = GTEST_FLAG(filter).c_str();
+  const char* const dash = strchr(p, '-');
+  std::string positive;
+  std::string negative;
+  if (dash == NULL) {
+    positive = GTEST_FLAG(filter).c_str();  // Whole string is a positive filter
+    negative = "";
+  } else {
+    positive = std::string(p, dash);   // Everything up to the dash
+    negative = std::string(dash + 1);  // Everything after the dash
+    if (positive.empty()) {
+      // Treat '-test1' as the same as '*-test1'
+      positive = kUniversalFilter;
+    }
+  }
+
+  // A filter is a colon-separated list of patterns.  It matches a
+  // test if any pattern in it matches the test.
+  return (MatchesFilter(full_name, positive.c_str()) &&
+          !MatchesFilter(full_name, negative.c_str()));
+}
+
+#if GTEST_HAS_SEH
+// Returns EXCEPTION_EXECUTE_HANDLER if Google Test should handle the
+// given SEH exception, or EXCEPTION_CONTINUE_SEARCH otherwise.
+// This function is useful as an __except condition.
+int UnitTestOptions::GTestShouldProcessSEH(DWORD exception_code) {
+  // Google Test should handle a SEH exception if:
+  //   1. the user wants it to, AND
+  //   2. this is not a breakpoint exception, AND
+  //   3. this is not a C++ exception (VC++ implements them via SEH,
+  //      apparently).
+  //
+  // SEH exception code for C++ exceptions.
+  // (see http://support.microsoft.com/kb/185294 for more information).
+  const DWORD kCxxExceptionCode = 0xe06d7363;
+
+  bool should_handle = true;
+
+  if (!GTEST_FLAG(catch_exceptions))
+    should_handle = false;
+  else if (exception_code == EXCEPTION_BREAKPOINT)
+    should_handle = false;
+  else if (exception_code == kCxxExceptionCode)
+    should_handle = false;
+
+  return should_handle ? EXCEPTION_EXECUTE_HANDLER : EXCEPTION_CONTINUE_SEARCH;
+}
+#endif  // GTEST_HAS_SEH
+
+}  // namespace internal
+
+// The c'tor sets this object as the test part result reporter used by
+// Google Test.  The 'result' parameter specifies where to report the
+// results. Intercepts only failures from the current thread.
+ScopedFakeTestPartResultReporter::ScopedFakeTestPartResultReporter(
+    TestPartResultArray* result)
+    : intercept_mode_(INTERCEPT_ONLY_CURRENT_THREAD),
+      result_(result) {
+  Init();
+}
+
+// The c'tor sets this object as the test part result reporter used by
+// Google Test.  The 'result' parameter specifies where to report the
+// results.
+ScopedFakeTestPartResultReporter::ScopedFakeTestPartResultReporter(
+    InterceptMode intercept_mode, TestPartResultArray* result)
+    : intercept_mode_(intercept_mode),
+      result_(result) {
+  Init();
+}
+
+void ScopedFakeTestPartResultReporter::Init() {
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  if (intercept_mode_ == INTERCEPT_ALL_THREADS) {
+    old_reporter_ = impl->GetGlobalTestPartResultReporter();
+    impl->SetGlobalTestPartResultReporter(this);
+  } else {
+    old_reporter_ = impl->GetTestPartResultReporterForCurrentThread();
+    impl->SetTestPartResultReporterForCurrentThread(this);
+  }
+}
+
+// The d'tor restores the test part result reporter used by Google Test
+// before.
+ScopedFakeTestPartResultReporter::~ScopedFakeTestPartResultReporter() {
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  if (intercept_mode_ == INTERCEPT_ALL_THREADS) {
+    impl->SetGlobalTestPartResultReporter(old_reporter_);
+  } else {
+    impl->SetTestPartResultReporterForCurrentThread(old_reporter_);
+  }
+}
+
+// Increments the test part result count and remembers the result.
+// This method is from the TestPartResultReporterInterface interface.
+void ScopedFakeTestPartResultReporter::ReportTestPartResult(
+    const TestPartResult& result) {
+  result_->Append(result);
+}
+
+namespace internal {
+
+// Returns the type ID of ::testing::Test.  We should always call this
+// instead of GetTypeId< ::testing::Test>() to get the type ID of
+// testing::Test.  This is to work around a suspected linker bug when
+// using Google Test as a framework on Mac OS X.  The bug causes
+// GetTypeId< ::testing::Test>() to return different values depending
+// on whether the call is from the Google Test framework itself or
+// from user test code.  GetTestTypeId() is guaranteed to always
+// return the same value, as it always calls GetTypeId<>() from the
+// gtest.cc, which is within the Google Test framework.
+TypeId GetTestTypeId() {
+  return GetTypeId<Test>();
+}
+
+// The value of GetTestTypeId() as seen from within the Google Test
+// library.  This is solely for testing GetTestTypeId().
+extern const TypeId kTestTypeIdInGoogleTest = GetTestTypeId();
+
+// This predicate-formatter checks that 'results' contains a test part
+// failure of the given type and that the failure message contains the
+// given substring.
+AssertionResult HasOneFailure(const char* /* results_expr */,
+                              const char* /* type_expr */,
+                              const char* /* substr_expr */,
+                              const TestPartResultArray& results,
+                              TestPartResult::Type type,
+                              const string& substr) {
+  const std::string expected(type == TestPartResult::kFatalFailure ?
+                        "1 fatal failure" :
+                        "1 non-fatal failure");
+  Message msg;
+  if (results.size() != 1) {
+    msg << "Expected: " << expected << "\n"
+        << "  Actual: " << results.size() << " failures";
+    for (int i = 0; i < results.size(); i++) {
+      msg << "\n" << results.GetTestPartResult(i);
+    }
+    return AssertionFailure() << msg;
+  }
+
+  const TestPartResult& r = results.GetTestPartResult(0);
+  if (r.type() != type) {
+    return AssertionFailure() << "Expected: " << expected << "\n"
+                              << "  Actual:\n"
+                              << r;
+  }
+
+  if (strstr(r.message(), substr.c_str()) == NULL) {
+    return AssertionFailure() << "Expected: " << expected << " containing \""
+                              << substr << "\"\n"
+                              << "  Actual:\n"
+                              << r;
+  }
+
+  return AssertionSuccess();
+}
+
+// The constructor of SingleFailureChecker remembers where to look up
+// test part results, what type of failure we expect, and what
+// substring the failure message should contain.
+SingleFailureChecker:: SingleFailureChecker(
+    const TestPartResultArray* results,
+    TestPartResult::Type type,
+    const string& substr)
+    : results_(results),
+      type_(type),
+      substr_(substr) {}
+
+// The destructor of SingleFailureChecker verifies that the given
+// TestPartResultArray contains exactly one failure that has the given
+// type and contains the given substring.  If that's not the case, a
+// non-fatal failure will be generated.
+SingleFailureChecker::~SingleFailureChecker() {
+  EXPECT_PRED_FORMAT3(HasOneFailure, *results_, type_, substr_);
+}
+
+DefaultGlobalTestPartResultReporter::DefaultGlobalTestPartResultReporter(
+    UnitTestImpl* unit_test) : unit_test_(unit_test) {}
+
+void DefaultGlobalTestPartResultReporter::ReportTestPartResult(
+    const TestPartResult& result) {
+  unit_test_->current_test_result()->AddTestPartResult(result);
+  unit_test_->listeners()->repeater()->OnTestPartResult(result);
+}
+
+DefaultPerThreadTestPartResultReporter::DefaultPerThreadTestPartResultReporter(
+    UnitTestImpl* unit_test) : unit_test_(unit_test) {}
+
+void DefaultPerThreadTestPartResultReporter::ReportTestPartResult(
+    const TestPartResult& result) {
+  unit_test_->GetGlobalTestPartResultReporter()->ReportTestPartResult(result);
+}
+
+// Returns the global test part result reporter.
+TestPartResultReporterInterface*
+UnitTestImpl::GetGlobalTestPartResultReporter() {
+  internal::MutexLock lock(&global_test_part_result_reporter_mutex_);
+  return global_test_part_result_repoter_;
+}
+
+// Sets the global test part result reporter.
+void UnitTestImpl::SetGlobalTestPartResultReporter(
+    TestPartResultReporterInterface* reporter) {
+  internal::MutexLock lock(&global_test_part_result_reporter_mutex_);
+  global_test_part_result_repoter_ = reporter;
+}
+
+// Returns the test part result reporter for the current thread.
+TestPartResultReporterInterface*
+UnitTestImpl::GetTestPartResultReporterForCurrentThread() {
+  return per_thread_test_part_result_reporter_.get();
+}
+
+// Sets the test part result reporter for the current thread.
+void UnitTestImpl::SetTestPartResultReporterForCurrentThread(
+    TestPartResultReporterInterface* reporter) {
+  per_thread_test_part_result_reporter_.set(reporter);
+}
+
+// Gets the number of successful test cases.
+int UnitTestImpl::successful_test_case_count() const {
+  return CountIf(test_cases_, TestCasePassed);
+}
+
+// Gets the number of failed test cases.
+int UnitTestImpl::failed_test_case_count() const {
+  return CountIf(test_cases_, TestCaseFailed);
+}
+
+// Gets the number of all test cases.
+int UnitTestImpl::total_test_case_count() const {
+  return static_cast<int>(test_cases_.size());
+}
+
+// Gets the number of all test cases that contain at least one test
+// that should run.
+int UnitTestImpl::test_case_to_run_count() const {
+  return CountIf(test_cases_, ShouldRunTestCase);
+}
+
+// Gets the number of successful tests.
+int UnitTestImpl::successful_test_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::successful_test_count);
+}
+
+// Gets the number of failed tests.
+int UnitTestImpl::failed_test_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::failed_test_count);
+}
+
+// Gets the number of disabled tests that will be reported in the XML report.
+int UnitTestImpl::reportable_disabled_test_count() const {
+  return SumOverTestCaseList(test_cases_,
+                             &TestCase::reportable_disabled_test_count);
+}
+
+// Gets the number of disabled tests.
+int UnitTestImpl::disabled_test_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::disabled_test_count);
+}
+
+// Gets the number of tests to be printed in the XML report.
+int UnitTestImpl::reportable_test_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::reportable_test_count);
+}
+
+// Gets the number of all tests.
+int UnitTestImpl::total_test_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::total_test_count);
+}
+
+// Gets the number of tests that should run.
+int UnitTestImpl::test_to_run_count() const {
+  return SumOverTestCaseList(test_cases_, &TestCase::test_to_run_count);
+}
+
+// Returns the current OS stack trace as an std::string.
+//
+// The maximum number of stack frames to be included is specified by
+// the gtest_stack_trace_depth flag.  The skip_count parameter
+// specifies the number of top frames to be skipped, which doesn't
+// count against the number of frames to be included.
+//
+// For example, if Foo() calls Bar(), which in turn calls
+// CurrentOsStackTraceExceptTop(1), Foo() will be included in the
+// trace but Bar() and CurrentOsStackTraceExceptTop() won't.
+std::string UnitTestImpl::CurrentOsStackTraceExceptTop(int skip_count) {
+  (void)skip_count;
+  return "";
+}
+
+// Returns the current time in milliseconds.
+TimeInMillis GetTimeInMillis() {
+#if GTEST_OS_WINDOWS_MOBILE || defined(__BORLANDC__)
+  // Difference between 1970-01-01 and 1601-01-01 in milliseconds.
+  // http://analogous.blogspot.com/2005/04/epoch.html
+  const TimeInMillis kJavaEpochToWinFileTimeDelta =
+    static_cast<TimeInMillis>(116444736UL) * 100000UL;
+  const DWORD kTenthMicrosInMilliSecond = 10000;
+
+  SYSTEMTIME now_systime;
+  FILETIME now_filetime;
+  ULARGE_INTEGER now_int64;
+  // TODO(kenton@google.com): Shouldn't this just use
+  //   GetSystemTimeAsFileTime()?
+  GetSystemTime(&now_systime);
+  if (SystemTimeToFileTime(&now_systime, &now_filetime)) {
+    now_int64.LowPart = now_filetime.dwLowDateTime;
+    now_int64.HighPart = now_filetime.dwHighDateTime;
+    now_int64.QuadPart = (now_int64.QuadPart / kTenthMicrosInMilliSecond) -
+      kJavaEpochToWinFileTimeDelta;
+    return now_int64.QuadPart;
+  }
+  return 0;
+#elif GTEST_OS_WINDOWS && !GTEST_HAS_GETTIMEOFDAY_
+  __timeb64 now;
+
+# ifdef _MSC_VER
+
+  // MSVC 8 deprecates _ftime64(), so we want to suppress warning 4996
+  // (deprecated function) there.
+  // TODO(kenton@google.com): Use GetTickCount()?  Or use
+  //   SystemTimeToFileTime()
+#  pragma warning(push)          // Saves the current warning state.
+#  pragma warning(disable:4996)  // Temporarily disables warning 4996.
+  _ftime64(&now);
+#  pragma warning(pop)           // Restores the warning state.
+# else
+
+  _ftime64(&now);
+
+# endif  // _MSC_VER
+
+  return static_cast<TimeInMillis>(now.time) * 1000 + now.millitm;
+#elif GTEST_HAS_GETTIMEOFDAY_
+  struct timeval now;
+  gettimeofday(&now, NULL);
+  return static_cast<TimeInMillis>(now.tv_sec) * 1000 + now.tv_usec / 1000;
+#else
+# error "Don't know how to get the current time on your system."
+#endif
+}
+
+// Utilities
+
+// class String.
+
+#if GTEST_OS_WINDOWS_MOBILE
+// Creates a UTF-16 wide string from the given ANSI string, allocating
+// memory using new. The caller is responsible for deleting the return
+// value using delete[]. Returns the wide string, or NULL if the
+// input is NULL.
+LPCWSTR String::AnsiToUtf16(const char* ansi) {
+  if (!ansi) return NULL;
+  const int length = strlen(ansi);
+  const int unicode_length =
+      MultiByteToWideChar(CP_ACP, 0, ansi, length,
+                          NULL, 0);
+  WCHAR* unicode = new WCHAR[unicode_length + 1];
+  MultiByteToWideChar(CP_ACP, 0, ansi, length,
+                      unicode, unicode_length);
+  unicode[unicode_length] = 0;
+  return unicode;
+}
+
+// Creates an ANSI string from the given wide string, allocating
+// memory using new. The caller is responsible for deleting the return
+// value using delete[]. Returns the ANSI string, or NULL if the
+// input is NULL.
+const char* String::Utf16ToAnsi(LPCWSTR utf16_str)  {
+  if (!utf16_str) return NULL;
+  const int ansi_length =
+      WideCharToMultiByte(CP_ACP, 0, utf16_str, -1,
+                          NULL, 0, NULL, NULL);
+  char* ansi = new char[ansi_length + 1];
+  WideCharToMultiByte(CP_ACP, 0, utf16_str, -1,
+                      ansi, ansi_length, NULL, NULL);
+  ansi[ansi_length] = 0;
+  return ansi;
+}
+
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+// Compares two C strings.  Returns true iff they have the same content.
+//
+// Unlike strcmp(), this function can handle NULL argument(s).  A NULL
+// C string is considered different to any non-NULL C string,
+// including the empty string.
+bool String::CStringEquals(const char * lhs, const char * rhs) {
+  if ( lhs == NULL ) return rhs == NULL;
+
+  if ( rhs == NULL ) return false;
+
+  return strcmp(lhs, rhs) == 0;
+}
+
+#if GTEST_HAS_STD_WSTRING || GTEST_HAS_GLOBAL_WSTRING
+
+// Converts an array of wide chars to a narrow string using the UTF-8
+// encoding, and streams the result to the given Message object.
+static void StreamWideCharsToMessage(const wchar_t* wstr, size_t length,
+                                     Message* msg) {
+  for (size_t i = 0; i != length; ) {  // NOLINT
+    if (wstr[i] != L'\0') {
+      *msg << WideStringToUtf8(wstr + i, static_cast<int>(length - i));
+      while (i != length && wstr[i] != L'\0')
+        i++;
+    } else {
+      *msg << '\0';
+      i++;
+    }
+  }
+}
+
+#endif  // GTEST_HAS_STD_WSTRING || GTEST_HAS_GLOBAL_WSTRING
+
+}  // namespace internal
+
+// Constructs an empty Message.
+// We allocate the stringstream separately because otherwise each use of
+// ASSERT/EXPECT in a procedure adds over 200 bytes to the procedure's
+// stack frame leading to huge stack frames in some cases; gcc does not reuse
+// the stack space.
+Message::Message() : ss_(new ::std::stringstream) {
+  // By default, we want there to be enough precision when printing
+  // a double to a Message.
+  *ss_ << std::setprecision(std::numeric_limits<double>::digits10 + 2);
+}
+
+// These two overloads allow streaming a wide C string to a Message
+// using the UTF-8 encoding.
+Message& Message::operator <<(const wchar_t* wide_c_str) {
+  return *this << internal::String::ShowWideCString(wide_c_str);
+}
+Message& Message::operator <<(wchar_t* wide_c_str) {
+  return *this << internal::String::ShowWideCString(wide_c_str);
+}
+
+#if GTEST_HAS_STD_WSTRING
+// Converts the given wide string to a narrow string using the UTF-8
+// encoding, and streams the result to this Message object.
+Message& Message::operator <<(const ::std::wstring& wstr) {
+  internal::StreamWideCharsToMessage(wstr.c_str(), wstr.length(), this);
+  return *this;
+}
+#endif  // GTEST_HAS_STD_WSTRING
+
+#if GTEST_HAS_GLOBAL_WSTRING
+// Converts the given wide string to a narrow string using the UTF-8
+// encoding, and streams the result to this Message object.
+Message& Message::operator <<(const ::wstring& wstr) {
+  internal::StreamWideCharsToMessage(wstr.c_str(), wstr.length(), this);
+  return *this;
+}
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+// Gets the text streamed to this object so far as an std::string.
+// Each '\0' character in the buffer is replaced with "\\0".
+std::string Message::GetString() const {
+  return internal::StringStreamToString(ss_.get());
+}
+
+// AssertionResult constructors.
+// Used in EXPECT_TRUE/FALSE(assertion_result).
+AssertionResult::AssertionResult(const AssertionResult& other)
+    : success_(other.success_),
+      message_(other.message_.get() != NULL ?
+               new ::std::string(*other.message_) :
+               static_cast< ::std::string*>(NULL)) {
+}
+
+// Returns the assertion's negation. Used with EXPECT/ASSERT_FALSE.
+AssertionResult AssertionResult::operator!() const {
+  AssertionResult negation(!success_);
+  if (message_.get() != NULL)
+    negation << *message_;
+  return negation;
+}
+
+// Makes a successful assertion result.
+AssertionResult AssertionSuccess() {
+  return AssertionResult(true);
+}
+
+// Makes a failed assertion result.
+AssertionResult AssertionFailure() {
+  return AssertionResult(false);
+}
+
+// Makes a failed assertion result with the given failure message.
+// Deprecated; use AssertionFailure() << message.
+AssertionResult AssertionFailure(const Message& message) {
+  return AssertionFailure() << message;
+}
+
+namespace internal {
+
+// Constructs and returns the message for an equality assertion
+// (e.g. ASSERT_EQ, EXPECT_STREQ, etc) failure.
+//
+// The first four parameters are the expressions used in the assertion
+// and their values, as strings.  For example, for ASSERT_EQ(foo, bar)
+// where foo is 5 and bar is 6, we have:
+//
+//   expected_expression: "foo"
+//   actual_expression:   "bar"
+//   expected_value:      "5"
+//   actual_value:        "6"
+//
+// The ignoring_case parameter is true iff the assertion is a
+// *_STRCASEEQ*.  When it's true, the string " (ignoring case)" will
+// be inserted into the message.
+AssertionResult EqFailure(const char* expected_expression,
+                          const char* actual_expression,
+                          const std::string& expected_value,
+                          const std::string& actual_value,
+                          bool ignoring_case) {
+  Message msg;
+  msg << "Value of: " << actual_expression;
+  if (actual_value != actual_expression) {
+    msg << "\n  Actual: " << actual_value;
+  }
+
+  msg << "\nExpected: " << expected_expression;
+  if (ignoring_case) {
+    msg << " (ignoring case)";
+  }
+  if (expected_value != expected_expression) {
+    msg << "\nWhich is: " << expected_value;
+  }
+
+  return AssertionFailure() << msg;
+}
+
+// Constructs a failure message for Boolean assertions such as EXPECT_TRUE.
+std::string GetBoolAssertionFailureMessage(
+    const AssertionResult& assertion_result,
+    const char* expression_text,
+    const char* actual_predicate_value,
+    const char* expected_predicate_value) {
+  const char* actual_message = assertion_result.message();
+  Message msg;
+  msg << "Value of: " << expression_text
+      << "\n  Actual: " << actual_predicate_value;
+  if (actual_message[0] != '\0')
+    msg << " (" << actual_message << ")";
+  msg << "\nExpected: " << expected_predicate_value;
+  return msg.GetString();
+}
+
+// Helper function for implementing ASSERT_NEAR.
+AssertionResult DoubleNearPredFormat(const char* expr1,
+                                     const char* expr2,
+                                     const char* abs_error_expr,
+                                     double val1,
+                                     double val2,
+                                     double abs_error) {
+  const double diff = fabs(val1 - val2);
+  if (diff <= abs_error) return AssertionSuccess();
+
+  // TODO(wan): do not print the value of an expression if it's
+  // already a literal.
+  return AssertionFailure()
+      << "The difference between " << expr1 << " and " << expr2
+      << " is " << diff << ", which exceeds " << abs_error_expr << ", where\n"
+      << expr1 << " evaluates to " << val1 << ",\n"
+      << expr2 << " evaluates to " << val2 << ", and\n"
+      << abs_error_expr << " evaluates to " << abs_error << ".";
+}
+
+
+// Helper template for implementing FloatLE() and DoubleLE().
+template <typename RawType>
+AssertionResult FloatingPointLE(const char* expr1,
+                                const char* expr2,
+                                RawType val1,
+                                RawType val2) {
+  // Returns success if val1 is less than val2,
+  if (val1 < val2) {
+    return AssertionSuccess();
+  }
+
+  // or if val1 is almost equal to val2.
+  const FloatingPoint<RawType> lhs(val1), rhs(val2);
+  if (lhs.AlmostEquals(rhs)) {
+    return AssertionSuccess();
+  }
+
+  // Note that the above two checks will both fail if either val1 or
+  // val2 is NaN, as the IEEE floating-point standard requires that
+  // any predicate involving a NaN must return false.
+
+  ::std::stringstream val1_ss;
+  val1_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
+          << val1;
+
+  ::std::stringstream val2_ss;
+  val2_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
+          << val2;
+
+  return AssertionFailure()
+      << "Expected: (" << expr1 << ") <= (" << expr2 << ")\n"
+      << "  Actual: " << StringStreamToString(&val1_ss) << " vs "
+      << StringStreamToString(&val2_ss);
+}
+
+}  // namespace internal
+
+// Asserts that val1 is less than, or almost equal to, val2.  Fails
+// otherwise.  In particular, it fails if either val1 or val2 is NaN.
+AssertionResult FloatLE(const char* expr1, const char* expr2,
+                        float val1, float val2) {
+  return internal::FloatingPointLE<float>(expr1, expr2, val1, val2);
+}
+
+// Asserts that val1 is less than, or almost equal to, val2.  Fails
+// otherwise.  In particular, it fails if either val1 or val2 is NaN.
+AssertionResult DoubleLE(const char* expr1, const char* expr2,
+                         double val1, double val2) {
+  return internal::FloatingPointLE<double>(expr1, expr2, val1, val2);
+}
+
+namespace internal {
+
+// The helper function for {ASSERT|EXPECT}_EQ with int or enum
+// arguments.
+AssertionResult CmpHelperEQ(const char* expected_expression,
+                            const char* actual_expression,
+                            BiggestInt expected,
+                            BiggestInt actual) {
+  if (expected == actual) {
+    return AssertionSuccess();
+  }
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   FormatForComparisonFailureMessage(expected, actual),
+                   FormatForComparisonFailureMessage(actual, expected),
+                   false);
+}
+
+// A macro for implementing the helper functions needed to implement
+// ASSERT_?? and EXPECT_?? with integer or enum arguments.  It is here
+// just to avoid copy-and-paste of similar code.
+#define GTEST_IMPL_CMP_HELPER_(op_name, op)\
+AssertionResult CmpHelper##op_name(const char* expr1, const char* expr2, \
+                                   BiggestInt val1, BiggestInt val2) {\
+  if (val1 op val2) {\
+    return AssertionSuccess();\
+  } else {\
+    return AssertionFailure() \
+        << "Expected: (" << expr1 << ") " #op " (" << expr2\
+        << "), actual: " << FormatForComparisonFailureMessage(val1, val2)\
+        << " vs " << FormatForComparisonFailureMessage(val2, val1);\
+  }\
+}
+
+// Implements the helper function for {ASSERT|EXPECT}_NE with int or
+// enum arguments.
+GTEST_IMPL_CMP_HELPER_(NE, !=)
+// Implements the helper function for {ASSERT|EXPECT}_LE with int or
+// enum arguments.
+GTEST_IMPL_CMP_HELPER_(LE, <=)
+// Implements the helper function for {ASSERT|EXPECT}_LT with int or
+// enum arguments.
+GTEST_IMPL_CMP_HELPER_(LT, < )
+// Implements the helper function for {ASSERT|EXPECT}_GE with int or
+// enum arguments.
+GTEST_IMPL_CMP_HELPER_(GE, >=)
+// Implements the helper function for {ASSERT|EXPECT}_GT with int or
+// enum arguments.
+GTEST_IMPL_CMP_HELPER_(GT, > )
+
+#undef GTEST_IMPL_CMP_HELPER_
+
+// The helper function for {ASSERT|EXPECT}_STREQ.
+AssertionResult CmpHelperSTREQ(const char* expected_expression,
+                               const char* actual_expression,
+                               const char* expected,
+                               const char* actual) {
+  if (String::CStringEquals(expected, actual)) {
+    return AssertionSuccess();
+  }
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   PrintToString(expected),
+                   PrintToString(actual),
+                   false);
+}
+
+// The helper function for {ASSERT|EXPECT}_STRCASEEQ.
+AssertionResult CmpHelperSTRCASEEQ(const char* expected_expression,
+                                   const char* actual_expression,
+                                   const char* expected,
+                                   const char* actual) {
+  if (String::CaseInsensitiveCStringEquals(expected, actual)) {
+    return AssertionSuccess();
+  }
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   PrintToString(expected),
+                   PrintToString(actual),
+                   true);
+}
+
+// The helper function for {ASSERT|EXPECT}_STRNE.
+AssertionResult CmpHelperSTRNE(const char* s1_expression,
+                               const char* s2_expression,
+                               const char* s1,
+                               const char* s2) {
+  if (!String::CStringEquals(s1, s2)) {
+    return AssertionSuccess();
+  } else {
+    return AssertionFailure() << "Expected: (" << s1_expression << ") != ("
+                              << s2_expression << "), actual: \""
+                              << s1 << "\" vs \"" << s2 << "\"";
+  }
+}
+
+// The helper function for {ASSERT|EXPECT}_STRCASENE.
+AssertionResult CmpHelperSTRCASENE(const char* s1_expression,
+                                   const char* s2_expression,
+                                   const char* s1,
+                                   const char* s2) {
+  if (!String::CaseInsensitiveCStringEquals(s1, s2)) {
+    return AssertionSuccess();
+  } else {
+    return AssertionFailure()
+        << "Expected: (" << s1_expression << ") != ("
+        << s2_expression << ") (ignoring case), actual: \""
+        << s1 << "\" vs \"" << s2 << "\"";
+  }
+}
+
+}  // namespace internal
+
+namespace {
+
+// Helper functions for implementing IsSubString() and IsNotSubstring().
+
+// This group of overloaded functions return true iff needle is a
+// substring of haystack.  NULL is considered a substring of itself
+// only.
+
+bool IsSubstringPred(const char* needle, const char* haystack) {
+  if (needle == NULL || haystack == NULL)
+    return needle == haystack;
+
+  return strstr(haystack, needle) != NULL;
+}
+
+bool IsSubstringPred(const wchar_t* needle, const wchar_t* haystack) {
+  if (needle == NULL || haystack == NULL)
+    return needle == haystack;
+
+  return wcsstr(haystack, needle) != NULL;
+}
+
+// StringType here can be either ::std::string or ::std::wstring.
+template <typename StringType>
+bool IsSubstringPred(const StringType& needle,
+                     const StringType& haystack) {
+  return haystack.find(needle) != StringType::npos;
+}
+
+// This function implements either IsSubstring() or IsNotSubstring(),
+// depending on the value of the expected_to_be_substring parameter.
+// StringType here can be const char*, const wchar_t*, ::std::string,
+// or ::std::wstring.
+template <typename StringType>
+AssertionResult IsSubstringImpl(
+    bool expected_to_be_substring,
+    const char* needle_expr, const char* haystack_expr,
+    const StringType& needle, const StringType& haystack) {
+  if (IsSubstringPred(needle, haystack) == expected_to_be_substring)
+    return AssertionSuccess();
+
+  const bool is_wide_string = sizeof(needle[0]) > 1;
+  const char* const begin_string_quote = is_wide_string ? "L\"" : "\"";
+  return AssertionFailure()
+      << "Value of: " << needle_expr << "\n"
+      << "  Actual: " << begin_string_quote << needle << "\"\n"
+      << "Expected: " << (expected_to_be_substring ? "" : "not ")
+      << "a substring of " << haystack_expr << "\n"
+      << "Which is: " << begin_string_quote << haystack << "\"";
+}
+
+}  // namespace
+
+// IsSubstring() and IsNotSubstring() check whether needle is a
+// substring of haystack (NULL is considered a substring of itself
+// only), and return an appropriate error message when they fail.
+
+AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const char* needle, const char* haystack) {
+  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const wchar_t* needle, const wchar_t* haystack) {
+  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const char* needle, const char* haystack) {
+  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const wchar_t* needle, const wchar_t* haystack) {
+  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::string& needle, const ::std::string& haystack) {
+  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::string& needle, const ::std::string& haystack) {
+  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
+}
+
+#if GTEST_HAS_STD_WSTRING
+AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::wstring& needle, const ::std::wstring& haystack) {
+  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
+}
+
+AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::wstring& needle, const ::std::wstring& haystack) {
+  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
+}
+#endif  // GTEST_HAS_STD_WSTRING
+
+namespace internal {
+
+#if GTEST_OS_WINDOWS
+
+namespace {
+
+// Helper function for IsHRESULT{SuccessFailure} predicates
+AssertionResult HRESULTFailureHelper(const char* expr,
+                                     const char* expected,
+                                     long hr) {  // NOLINT
+# if GTEST_OS_WINDOWS_MOBILE
+
+  // Windows CE doesn't support FormatMessage.
+  const char error_text[] = "";
+
+# else
+
+  // Looks up the human-readable system message for the HRESULT code
+  // and since we're not passing any params to FormatMessage, we don't
+  // want inserts expanded.
+  const DWORD kFlags = FORMAT_MESSAGE_FROM_SYSTEM |
+                       FORMAT_MESSAGE_IGNORE_INSERTS;
+  const DWORD kBufSize = 4096;
+  // Gets the system's human readable message string for this HRESULT.
+  char error_text[kBufSize] = { '\0' };
+  DWORD message_length = ::FormatMessageA(kFlags,
+                                          0,  // no source, we're asking system
+                                          hr,  // the error
+                                          0,  // no line width restrictions
+                                          error_text,  // output buffer
+                                          kBufSize,  // buf size
+                                          NULL);  // no arguments for inserts
+  // Trims tailing white space (FormatMessage leaves a trailing CR-LF)
+  for (; message_length && IsSpace(error_text[message_length - 1]);
+          --message_length) {
+    error_text[message_length - 1] = '\0';
+  }
+
+# endif  // GTEST_OS_WINDOWS_MOBILE
+
+  const std::string error_hex("0x" + String::FormatHexInt(hr));
+  return ::testing::AssertionFailure()
+      << "Expected: " << expr << " " << expected << ".\n"
+      << "  Actual: " << error_hex << " " << error_text << "\n";
+}
+
+}  // namespace
+
+AssertionResult IsHRESULTSuccess(const char* expr, long hr) {  // NOLINT
+  if (SUCCEEDED(hr)) {
+    return AssertionSuccess();
+  }
+  return HRESULTFailureHelper(expr, "succeeds", hr);
+}
+
+AssertionResult IsHRESULTFailure(const char* expr, long hr) {  // NOLINT
+  if (FAILED(hr)) {
+    return AssertionSuccess();
+  }
+  return HRESULTFailureHelper(expr, "fails", hr);
+}
+
+#endif  // GTEST_OS_WINDOWS
+
+// Utility functions for encoding Unicode text (wide strings) in
+// UTF-8.
+
+// A Unicode code-point can have upto 21 bits, and is encoded in UTF-8
+// like this:
+//
+// Code-point length   Encoding
+//   0 -  7 bits       0xxxxxxx
+//   8 - 11 bits       110xxxxx 10xxxxxx
+//  12 - 16 bits       1110xxxx 10xxxxxx 10xxxxxx
+//  17 - 21 bits       11110xxx 10xxxxxx 10xxxxxx 10xxxxxx
+
+// The maximum code-point a one-byte UTF-8 sequence can represent.
+const UInt32 kMaxCodePoint1 = (static_cast<UInt32>(1) <<  7) - 1;
+
+// The maximum code-point a two-byte UTF-8 sequence can represent.
+const UInt32 kMaxCodePoint2 = (static_cast<UInt32>(1) << (5 + 6)) - 1;
+
+// The maximum code-point a three-byte UTF-8 sequence can represent.
+const UInt32 kMaxCodePoint3 = (static_cast<UInt32>(1) << (4 + 2*6)) - 1;
+
+// The maximum code-point a four-byte UTF-8 sequence can represent.
+const UInt32 kMaxCodePoint4 = (static_cast<UInt32>(1) << (3 + 3*6)) - 1;
+
+// Chops off the n lowest bits from a bit pattern.  Returns the n
+// lowest bits.  As a side effect, the original bit pattern will be
+// shifted to the right by n bits.
+inline UInt32 ChopLowBits(UInt32* bits, int n) {
+  const UInt32 low_bits = *bits & ((static_cast<UInt32>(1) << n) - 1);
+  *bits >>= n;
+  return low_bits;
+}
+
+// Converts a Unicode code point to a narrow string in UTF-8 encoding.
+// code_point parameter is of type UInt32 because wchar_t may not be
+// wide enough to contain a code point.
+// If the code_point is not a valid Unicode code point
+// (i.e. outside of Unicode range U+0 to U+10FFFF) it will be converted
+// to "(Invalid Unicode 0xXXXXXXXX)".
+std::string CodePointToUtf8(UInt32 code_point) {
+  if (code_point > kMaxCodePoint4) {
+    return "(Invalid Unicode 0x" + String::FormatHexInt(code_point) + ")";
+  }
+
+  char str[5];  // Big enough for the largest valid code point.
+  if (code_point <= kMaxCodePoint1) {
+    str[1] = '\0';
+    str[0] = static_cast<char>(code_point);                          // 0xxxxxxx
+  } else if (code_point <= kMaxCodePoint2) {
+    str[2] = '\0';
+    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[0] = static_cast<char>(0xC0 | code_point);                   // 110xxxxx
+  } else if (code_point <= kMaxCodePoint3) {
+    str[3] = '\0';
+    str[2] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[0] = static_cast<char>(0xE0 | code_point);                   // 1110xxxx
+  } else {  // code_point <= kMaxCodePoint4
+    str[4] = '\0';
+    str[3] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[2] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
+    str[0] = static_cast<char>(0xF0 | code_point);                   // 11110xxx
+  }
+  return str;
+}
+
+// The following two functions only make sense if the the system
+// uses UTF-16 for wide string encoding. All supported systems
+// with 16 bit wchar_t (Windows, Cygwin, Symbian OS) do use UTF-16.
+
+// Determines if the arguments constitute UTF-16 surrogate pair
+// and thus should be combined into a single Unicode code point
+// using CreateCodePointFromUtf16SurrogatePair.
+inline bool IsUtf16SurrogatePair(wchar_t first, wchar_t second) {
+  return sizeof(wchar_t) == 2 &&
+      (first & 0xFC00) == 0xD800 && (second & 0xFC00) == 0xDC00;
+}
+
+// Creates a Unicode code point from UTF16 surrogate pair.
+inline UInt32 CreateCodePointFromUtf16SurrogatePair(wchar_t first,
+                                                    wchar_t second) {
+  const UInt32 mask = (1 << 10) - 1;
+  return (sizeof(wchar_t) == 2) ?
+      (((first & mask) << 10) | (second & mask)) + 0x10000 :
+      // This function should not be called when the condition is
+      // false, but we provide a sensible default in case it is.
+      static_cast<UInt32>(first);
+}
+
+// Converts a wide string to a narrow string in UTF-8 encoding.
+// The wide string is assumed to have the following encoding:
+//   UTF-16 if sizeof(wchar_t) == 2 (on Windows, Cygwin, Symbian OS)
+//   UTF-32 if sizeof(wchar_t) == 4 (on Linux)
+// Parameter str points to a null-terminated wide string.
+// Parameter num_chars may additionally limit the number
+// of wchar_t characters processed. -1 is used when the entire string
+// should be processed.
+// If the string contains code points that are not valid Unicode code points
+// (i.e. outside of Unicode range U+0 to U+10FFFF) they will be output
+// as '(Invalid Unicode 0xXXXXXXXX)'. If the string is in UTF16 encoding
+// and contains invalid UTF-16 surrogate pairs, values in those pairs
+// will be encoded as individual Unicode characters from Basic Normal Plane.
+std::string WideStringToUtf8(const wchar_t* str, int num_chars) {
+  if (num_chars == -1)
+    num_chars = static_cast<int>(wcslen(str));
+
+  ::std::stringstream stream;
+  for (int i = 0; i < num_chars; ++i) {
+    UInt32 unicode_code_point;
+
+    if (str[i] == L'\0') {
+      break;
+    } else if (i + 1 < num_chars && IsUtf16SurrogatePair(str[i], str[i + 1])) {
+      unicode_code_point = CreateCodePointFromUtf16SurrogatePair(str[i],
+                                                                 str[i + 1]);
+      i++;
+    } else {
+      unicode_code_point = static_cast<UInt32>(str[i]);
+    }
+
+    stream << CodePointToUtf8(unicode_code_point);
+  }
+  return StringStreamToString(&stream);
+}
+
+// Converts a wide C string to an std::string using the UTF-8 encoding.
+// NULL will be converted to "(null)".
+std::string String::ShowWideCString(const wchar_t * wide_c_str) {
+  if (wide_c_str == NULL)  return "(null)";
+
+  return internal::WideStringToUtf8(wide_c_str, -1);
+}
+
+// Compares two wide C strings.  Returns true iff they have the same
+// content.
+//
+// Unlike wcscmp(), this function can handle NULL argument(s).  A NULL
+// C string is considered different to any non-NULL C string,
+// including the empty string.
+bool String::WideCStringEquals(const wchar_t * lhs, const wchar_t * rhs) {
+  if (lhs == NULL) return rhs == NULL;
+
+  if (rhs == NULL) return false;
+
+  return wcscmp(lhs, rhs) == 0;
+}
+
+// Helper function for *_STREQ on wide strings.
+AssertionResult CmpHelperSTREQ(const char* expected_expression,
+                               const char* actual_expression,
+                               const wchar_t* expected,
+                               const wchar_t* actual) {
+  if (String::WideCStringEquals(expected, actual)) {
+    return AssertionSuccess();
+  }
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   PrintToString(expected),
+                   PrintToString(actual),
+                   false);
+}
+
+// Helper function for *_STRNE on wide strings.
+AssertionResult CmpHelperSTRNE(const char* s1_expression,
+                               const char* s2_expression,
+                               const wchar_t* s1,
+                               const wchar_t* s2) {
+  if (!String::WideCStringEquals(s1, s2)) {
+    return AssertionSuccess();
+  }
+
+  return AssertionFailure() << "Expected: (" << s1_expression << ") != ("
+                            << s2_expression << "), actual: "
+                            << PrintToString(s1)
+                            << " vs " << PrintToString(s2);
+}
+
+// Compares two C strings, ignoring case.  Returns true iff they have
+// the same content.
+//
+// Unlike strcasecmp(), this function can handle NULL argument(s).  A
+// NULL C string is considered different to any non-NULL C string,
+// including the empty string.
+bool String::CaseInsensitiveCStringEquals(const char * lhs, const char * rhs) {
+  if (lhs == NULL)
+    return rhs == NULL;
+  if (rhs == NULL)
+    return false;
+  return posix::StrCaseCmp(lhs, rhs) == 0;
+}
+
+  // Compares two wide C strings, ignoring case.  Returns true iff they
+  // have the same content.
+  //
+  // Unlike wcscasecmp(), this function can handle NULL argument(s).
+  // A NULL C string is considered different to any non-NULL wide C string,
+  // including the empty string.
+  // NB: The implementations on different platforms slightly differ.
+  // On windows, this method uses _wcsicmp which compares according to LC_CTYPE
+  // environment variable. On GNU platform this method uses wcscasecmp
+  // which compares according to LC_CTYPE category of the current locale.
+  // On MacOS X, it uses towlower, which also uses LC_CTYPE category of the
+  // current locale.
+bool String::CaseInsensitiveWideCStringEquals(const wchar_t* lhs,
+                                              const wchar_t* rhs) {
+  if (lhs == NULL) return rhs == NULL;
+
+  if (rhs == NULL) return false;
+
+#if GTEST_OS_WINDOWS
+  return _wcsicmp(lhs, rhs) == 0;
+#elif GTEST_OS_LINUX && !GTEST_OS_LINUX_ANDROID
+  return wcscasecmp(lhs, rhs) == 0;
+#else
+  // Android, Mac OS X and Cygwin don't define wcscasecmp.
+  // Other unknown OSes may not define it either.
+  wint_t left, right;
+  do {
+    left = towlower(*lhs++);
+    right = towlower(*rhs++);
+  } while (left && left == right);
+  return left == right;
+#endif  // OS selector
+}
+
+// Returns true iff str ends with the given suffix, ignoring case.
+// Any string is considered to end with an empty suffix.
+bool String::EndsWithCaseInsensitive(
+    const std::string& str, const std::string& suffix) {
+  const size_t str_len = str.length();
+  const size_t suffix_len = suffix.length();
+  return (str_len >= suffix_len) &&
+         CaseInsensitiveCStringEquals(str.c_str() + str_len - suffix_len,
+                                      suffix.c_str());
+}
+
+// Formats an int value as "%02d".
+std::string String::FormatIntWidth2(int value) {
+  std::stringstream ss;
+  ss << std::setfill('0') << std::setw(2) << value;
+  return ss.str();
+}
+
+// Formats an int value as "%X".
+std::string String::FormatHexInt(int value) {
+  std::stringstream ss;
+  ss << std::hex << std::uppercase << value;
+  return ss.str();
+}
+
+// Formats a byte as "%02X".
+std::string String::FormatByte(unsigned char value) {
+  std::stringstream ss;
+  ss << std::setfill('0') << std::setw(2) << std::hex << std::uppercase
+     << static_cast<unsigned int>(value);
+  return ss.str();
+}
+
+// Converts the buffer in a stringstream to an std::string, converting NUL
+// bytes to "\\0" along the way.
+std::string StringStreamToString(::std::stringstream* ss) {
+  const ::std::string& str = ss->str();
+  const char* const start = str.c_str();
+  const char* const end = start + str.length();
+
+  std::string result;
+  result.reserve(2 * (end - start));
+  for (const char* ch = start; ch != end; ++ch) {
+    if (*ch == '\0') {
+      result += "\\0";  // Replaces NUL with "\\0";
+    } else {
+      result += *ch;
+    }
+  }
+
+  return result;
+}
+
+// Appends the user-supplied message to the Google-Test-generated message.
+std::string AppendUserMessage(const std::string& gtest_msg,
+                              const Message& user_msg) {
+  // Appends the user message if it's non-empty.
+  const std::string user_msg_string = user_msg.GetString();
+  if (user_msg_string.empty()) {
+    return gtest_msg;
+  }
+
+  return gtest_msg + "\n" + user_msg_string;
+}
+
+}  // namespace internal
+
+// class TestResult
+
+// Creates an empty TestResult.
+TestResult::TestResult()
+    : death_test_count_(0),
+      elapsed_time_(0) {
+}
+
+// D'tor.
+TestResult::~TestResult() {
+}
+
+// Returns the i-th test part result among all the results. i can
+// range from 0 to total_part_count() - 1. If i is not in that range,
+// aborts the program.
+const TestPartResult& TestResult::GetTestPartResult(int i) const {
+  if (i < 0 || i >= total_part_count())
+    internal::posix::Abort();
+  return test_part_results_.at(i);
+}
+
+// Returns the i-th test property. i can range from 0 to
+// test_property_count() - 1. If i is not in that range, aborts the
+// program.
+const TestProperty& TestResult::GetTestProperty(int i) const {
+  if (i < 0 || i >= test_property_count())
+    internal::posix::Abort();
+  return test_properties_.at(i);
+}
+
+// Clears the test part results.
+void TestResult::ClearTestPartResults() {
+  test_part_results_.clear();
+}
+
+// Adds a test part result to the list.
+void TestResult::AddTestPartResult(const TestPartResult& test_part_result) {
+  test_part_results_.push_back(test_part_result);
+}
+
+// Adds a test property to the list. If a property with the same key as the
+// supplied property is already represented, the value of this test_property
+// replaces the old value for that key.
+void TestResult::RecordProperty(const std::string& xml_element,
+                                const TestProperty& test_property) {
+  if (!ValidateTestProperty(xml_element, test_property)) {
+    return;
+  }
+  internal::MutexLock lock(&test_properites_mutex_);
+  const std::vector<TestProperty>::iterator property_with_matching_key =
+      std::find_if(test_properties_.begin(), test_properties_.end(),
+                   internal::TestPropertyKeyIs(test_property.key()));
+  if (property_with_matching_key == test_properties_.end()) {
+    test_properties_.push_back(test_property);
+    return;
+  }
+  property_with_matching_key->SetValue(test_property.value());
+}
+
+// The list of reserved attributes used in the <testsuites> element of XML
+// output.
+static const char* const kReservedTestSuitesAttributes[] = {
+  "disabled",
+  "errors",
+  "failures",
+  "name",
+  "random_seed",
+  "tests",
+  "time",
+  "timestamp"
+};
+
+// The list of reserved attributes used in the <testsuite> element of XML
+// output.
+static const char* const kReservedTestSuiteAttributes[] = {
+  "disabled",
+  "errors",
+  "failures",
+  "name",
+  "tests",
+  "time"
+};
+
+// The list of reserved attributes used in the <testcase> element of XML output.
+static const char* const kReservedTestCaseAttributes[] = {
+  "classname",
+  "name",
+  "status",
+  "time",
+  "type_param",
+  "value_param"
+};
+
+template <int kSize>
+std::vector<std::string> ArrayAsVector(const char* const (&array)[kSize]) {
+  return std::vector<std::string>(array, array + kSize);
+}
+
+static std::vector<std::string> GetReservedAttributesForElement(
+    const std::string& xml_element) {
+  if (xml_element == "testsuites") {
+    return ArrayAsVector(kReservedTestSuitesAttributes);
+  } else if (xml_element == "testsuite") {
+    return ArrayAsVector(kReservedTestSuiteAttributes);
+  } else if (xml_element == "testcase") {
+    return ArrayAsVector(kReservedTestCaseAttributes);
+  } else {
+    GTEST_CHECK_(false) << "Unrecognized xml_element provided: " << xml_element;
+  }
+  // This code is unreachable but some compilers may not realizes that.
+  return std::vector<std::string>();
+}
+
+static std::string FormatWordList(const std::vector<std::string>& words) {
+  Message word_list;
+  for (size_t i = 0; i < words.size(); ++i) {
+    if (i > 0 && words.size() > 2) {
+      word_list << ", ";
+    }
+    if (i == words.size() - 1) {
+      word_list << "and ";
+    }
+    word_list << "'" << words[i] << "'";
+  }
+  return word_list.GetString();
+}
+
+bool ValidateTestPropertyName(const std::string& property_name,
+                              const std::vector<std::string>& reserved_names) {
+  if (std::find(reserved_names.begin(), reserved_names.end(), property_name) !=
+          reserved_names.end()) {
+    ADD_FAILURE() << "Reserved key used in RecordProperty(): " << property_name
+                  << " (" << FormatWordList(reserved_names)
+                  << " are reserved by " << GTEST_NAME_ << ")";
+    return false;
+  }
+  return true;
+}
+
+// Adds a failure if the key is a reserved attribute of the element named
+// xml_element.  Returns true if the property is valid.
+bool TestResult::ValidateTestProperty(const std::string& xml_element,
+                                      const TestProperty& test_property) {
+  return ValidateTestPropertyName(test_property.key(),
+                                  GetReservedAttributesForElement(xml_element));
+}
+
+// Clears the object.
+void TestResult::Clear() {
+  test_part_results_.clear();
+  test_properties_.clear();
+  death_test_count_ = 0;
+  elapsed_time_ = 0;
+}
+
+// Returns true iff the test failed.
+bool TestResult::Failed() const {
+  for (int i = 0; i < total_part_count(); ++i) {
+    if (GetTestPartResult(i).failed())
+      return true;
+  }
+  return false;
+}
+
+// Returns true iff the test part fatally failed.
+static bool TestPartFatallyFailed(const TestPartResult& result) {
+  return result.fatally_failed();
+}
+
+// Returns true iff the test fatally failed.
+bool TestResult::HasFatalFailure() const {
+  return CountIf(test_part_results_, TestPartFatallyFailed) > 0;
+}
+
+// Returns true iff the test part non-fatally failed.
+static bool TestPartNonfatallyFailed(const TestPartResult& result) {
+  return result.nonfatally_failed();
+}
+
+// Returns true iff the test has a non-fatal failure.
+bool TestResult::HasNonfatalFailure() const {
+  return CountIf(test_part_results_, TestPartNonfatallyFailed) > 0;
+}
+
+// Gets the number of all test parts.  This is the sum of the number
+// of successful test parts and the number of failed test parts.
+int TestResult::total_part_count() const {
+  return static_cast<int>(test_part_results_.size());
+}
+
+// Returns the number of the test properties.
+int TestResult::test_property_count() const {
+  return static_cast<int>(test_properties_.size());
+}
+
+// class Test
+
+// Creates a Test object.
+
+// The c'tor saves the values of all Google Test flags.
+Test::Test()
+    : gtest_flag_saver_(new internal::GTestFlagSaver) {
+}
+
+// The d'tor restores the values of all Google Test flags.
+Test::~Test() {
+  delete gtest_flag_saver_;
+}
+
+// Sets up the test fixture.
+//
+// A sub-class may override this.
+void Test::SetUp() {
+}
+
+// Tears down the test fixture.
+//
+// A sub-class may override this.
+void Test::TearDown() {
+}
+
+// Allows user supplied key value pairs to be recorded for later output.
+void Test::RecordProperty(const std::string& key, const std::string& value) {
+  UnitTest::GetInstance()->RecordProperty(key, value);
+}
+
+// Allows user supplied key value pairs to be recorded for later output.
+void Test::RecordProperty(const std::string& key, int value) {
+  Message value_message;
+  value_message << value;
+  RecordProperty(key, value_message.GetString().c_str());
+}
+
+namespace internal {
+
+void ReportFailureInUnknownLocation(TestPartResult::Type result_type,
+                                    const std::string& message) {
+  // This function is a friend of UnitTest and as such has access to
+  // AddTestPartResult.
+  UnitTest::GetInstance()->AddTestPartResult(
+      result_type,
+      NULL,  // No info about the source file where the exception occurred.
+      -1,    // We have no info on which line caused the exception.
+      message,
+      "");   // No stack trace, either.
+}
+
+}  // namespace internal
+
+// Google Test requires all tests in the same test case to use the same test
+// fixture class.  This function checks if the current test has the
+// same fixture class as the first test in the current test case.  If
+// yes, it returns true; otherwise it generates a Google Test failure and
+// returns false.
+bool Test::HasSameFixtureClass() {
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  const TestCase* const test_case = impl->current_test_case();
+
+  // Info about the first test in the current test case.
+  const TestInfo* const first_test_info = test_case->test_info_list()[0];
+  const internal::TypeId first_fixture_id = first_test_info->fixture_class_id_;
+  const char* const first_test_name = first_test_info->name();
+
+  // Info about the current test.
+  const TestInfo* const this_test_info = impl->current_test_info();
+  const internal::TypeId this_fixture_id = this_test_info->fixture_class_id_;
+  const char* const this_test_name = this_test_info->name();
+
+  if (this_fixture_id != first_fixture_id) {
+    // Is the first test defined using TEST?
+    const bool first_is_TEST = first_fixture_id == internal::GetTestTypeId();
+    // Is this test defined using TEST?
+    const bool this_is_TEST = this_fixture_id == internal::GetTestTypeId();
+
+    if (first_is_TEST || this_is_TEST) {
+      // The user mixed TEST and TEST_F in this test case - we'll tell
+      // him/her how to fix it.
+
+      // Gets the name of the TEST and the name of the TEST_F.  Note
+      // that first_is_TEST and this_is_TEST cannot both be true, as
+      // the fixture IDs are different for the two tests.
+      const char* const TEST_name =
+          first_is_TEST ? first_test_name : this_test_name;
+      const char* const TEST_F_name =
+          first_is_TEST ? this_test_name : first_test_name;
+
+      ADD_FAILURE()
+          << "All tests in the same test case must use the same test fixture\n"
+          << "class, so mixing TEST_F and TEST in the same test case is\n"
+          << "illegal.  In test case " << this_test_info->test_case_name()
+          << ",\n"
+          << "test " << TEST_F_name << " is defined using TEST_F but\n"
+          << "test " << TEST_name << " is defined using TEST.  You probably\n"
+          << "want to change the TEST to TEST_F or move it to another test\n"
+          << "case.";
+    } else {
+      // The user defined two fixture classes with the same name in
+      // two namespaces - we'll tell him/her how to fix it.
+      ADD_FAILURE()
+          << "All tests in the same test case must use the same test fixture\n"
+          << "class.  However, in test case "
+          << this_test_info->test_case_name() << ",\n"
+          << "you defined test " << first_test_name
+          << " and test " << this_test_name << "\n"
+          << "using two different test fixture classes.  This can happen if\n"
+          << "the two classes are from different namespaces or translation\n"
+          << "units and have the same name.  You should probably rename one\n"
+          << "of the classes to put the tests into different test cases.";
+    }
+    return false;
+  }
+
+  return true;
+}
+
+#if GTEST_HAS_SEH
+
+// Adds an "exception thrown" fatal failure to the current test.  This
+// function returns its result via an output parameter pointer because VC++
+// prohibits creation of objects with destructors on stack in functions
+// using __try (see error C2712).
+static std::string* FormatSehExceptionMessage(DWORD exception_code,
+                                              const char* location) {
+  Message message;
+  message << "SEH exception with code 0x" << std::setbase(16) <<
+    exception_code << std::setbase(10) << " thrown in " << location << ".";
+
+  return new std::string(message.GetString());
+}
+
+#endif  // GTEST_HAS_SEH
+
+namespace internal {
+
+#if GTEST_HAS_EXCEPTIONS
+
+// Adds an "exception thrown" fatal failure to the current test.
+static std::string FormatCxxExceptionMessage(const char* description,
+                                             const char* location) {
+  Message message;
+  if (description != NULL) {
+    message << "C++ exception with description \"" << description << "\"";
+  } else {
+    message << "Unknown C++ exception";
+  }
+  message << " thrown in " << location << ".";
+
+  return message.GetString();
+}
+
+static std::string PrintTestPartResultToString(
+    const TestPartResult& test_part_result);
+
+GoogleTestFailureException::GoogleTestFailureException(
+    const TestPartResult& failure)
+    : ::std::runtime_error(PrintTestPartResultToString(failure).c_str()) {}
+
+#endif  // GTEST_HAS_EXCEPTIONS
+
+// We put these helper functions in the internal namespace as IBM's xlC
+// compiler rejects the code if they were declared static.
+
+// Runs the given method and handles SEH exceptions it throws, when
+// SEH is supported; returns the 0-value for type Result in case of an
+// SEH exception.  (Microsoft compilers cannot handle SEH and C++
+// exceptions in the same function.  Therefore, we provide a separate
+// wrapper function for handling SEH exceptions.)
+template <class T, typename Result>
+Result HandleSehExceptionsInMethodIfSupported(
+    T* object, Result (T::*method)(), const char* location) {
+#if GTEST_HAS_SEH
+  __try {
+    return (object->*method)();
+  } __except (internal::UnitTestOptions::GTestShouldProcessSEH(  // NOLINT
+      GetExceptionCode())) {
+    // We create the exception message on the heap because VC++ prohibits
+    // creation of objects with destructors on stack in functions using __try
+    // (see error C2712).
+    std::string* exception_message = FormatSehExceptionMessage(
+        GetExceptionCode(), location);
+    internal::ReportFailureInUnknownLocation(TestPartResult::kFatalFailure,
+                                             *exception_message);
+    delete exception_message;
+    return static_cast<Result>(0);
+  }
+#else
+  (void)location;
+  return (object->*method)();
+#endif  // GTEST_HAS_SEH
+}
+
+// Runs the given method and catches and reports C++ and/or SEH-style
+// exceptions, if they are supported; returns the 0-value for type
+// Result in case of an SEH exception.
+template <class T, typename Result>
+Result HandleExceptionsInMethodIfSupported(
+    T* object, Result (T::*method)(), const char* location) {
+  // NOTE: The user code can affect the way in which Google Test handles
+  // exceptions by setting GTEST_FLAG(catch_exceptions), but only before
+  // RUN_ALL_TESTS() starts. It is technically possible to check the flag
+  // after the exception is caught and either report or re-throw the
+  // exception based on the flag's value:
+  //
+  // try {
+  //   // Perform the test method.
+  // } catch (...) {
+  //   if (GTEST_FLAG(catch_exceptions))
+  //     // Report the exception as failure.
+  //   else
+  //     throw;  // Re-throws the original exception.
+  // }
+  //
+  // However, the purpose of this flag is to allow the program to drop into
+  // the debugger when the exception is thrown. On most platforms, once the
+  // control enters the catch block, the exception origin information is
+  // lost and the debugger will stop the program at the point of the
+  // re-throw in this function -- instead of at the point of the original
+  // throw statement in the code under test.  For this reason, we perform
+  // the check early, sacrificing the ability to affect Google Test's
+  // exception handling in the method where the exception is thrown.
+  if (internal::GetUnitTestImpl()->catch_exceptions()) {
+#if GTEST_HAS_EXCEPTIONS
+    try {
+      return HandleSehExceptionsInMethodIfSupported(object, method, location);
+    } catch (const internal::GoogleTestFailureException&) {  // NOLINT
+      // This exception type can only be thrown by a failed Google
+      // Test assertion with the intention of letting another testing
+      // framework catch it.  Therefore we just re-throw it.
+      throw;
+    } catch (const std::exception& e) {  // NOLINT
+      internal::ReportFailureInUnknownLocation(
+          TestPartResult::kFatalFailure,
+          FormatCxxExceptionMessage(e.what(), location));
+    } catch (...) {  // NOLINT
+      internal::ReportFailureInUnknownLocation(
+          TestPartResult::kFatalFailure,
+          FormatCxxExceptionMessage(NULL, location));
+    }
+    return static_cast<Result>(0);
+#else
+    return HandleSehExceptionsInMethodIfSupported(object, method, location);
+#endif  // GTEST_HAS_EXCEPTIONS
+  } else {
+    return (object->*method)();
+  }
+}
+
+}  // namespace internal
+
+// Runs the test and updates the test result.
+void Test::Run() {
+  if (!HasSameFixtureClass()) return;
+
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+  internal::HandleExceptionsInMethodIfSupported(this, &Test::SetUp, "SetUp()");
+  // We will run the test only if SetUp() was successful.
+  if (!HasFatalFailure()) {
+    impl->os_stack_trace_getter()->UponLeavingGTest();
+    internal::HandleExceptionsInMethodIfSupported(
+        this, &Test::TestBody, "the test body");
+  }
+
+  // However, we want to clean up as much as possible.  Hence we will
+  // always call TearDown(), even if SetUp() or the test body has
+  // failed.
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+  internal::HandleExceptionsInMethodIfSupported(
+      this, &Test::TearDown, "TearDown()");
+}
+
+// Returns true iff the current test has a fatal failure.
+bool Test::HasFatalFailure() {
+  return internal::GetUnitTestImpl()->current_test_result()->HasFatalFailure();
+}
+
+// Returns true iff the current test has a non-fatal failure.
+bool Test::HasNonfatalFailure() {
+  return internal::GetUnitTestImpl()->current_test_result()->
+      HasNonfatalFailure();
+}
+
+// class TestInfo
+
+// Constructs a TestInfo object. It assumes ownership of the test factory
+// object.
+TestInfo::TestInfo(const std::string& a_test_case_name,
+                   const std::string& a_name,
+                   const char* a_type_param,
+                   const char* a_value_param,
+                   internal::TypeId fixture_class_id,
+                   internal::TestFactoryBase* factory)
+    : test_case_name_(a_test_case_name),
+      name_(a_name),
+      type_param_(a_type_param ? new std::string(a_type_param) : NULL),
+      value_param_(a_value_param ? new std::string(a_value_param) : NULL),
+      fixture_class_id_(fixture_class_id),
+      should_run_(false),
+      is_disabled_(false),
+      matches_filter_(false),
+      factory_(factory),
+      result_() {}
+
+// Destructs a TestInfo object.
+TestInfo::~TestInfo() { delete factory_; }
+
+namespace internal {
+
+// Creates a new TestInfo object and registers it with Google Test;
+// returns the created object.
+//
+// Arguments:
+//
+//   test_case_name:   name of the test case
+//   name:             name of the test
+//   type_param:       the name of the test's type parameter, or NULL if
+//                     this is not a typed or a type-parameterized test.
+//   value_param:      text representation of the test's value parameter,
+//                     or NULL if this is not a value-parameterized test.
+//   fixture_class_id: ID of the test fixture class
+//   set_up_tc:        pointer to the function that sets up the test case
+//   tear_down_tc:     pointer to the function that tears down the test case
+//   factory:          pointer to the factory that creates a test object.
+//                     The newly created TestInfo instance will assume
+//                     ownership of the factory object.
+TestInfo* MakeAndRegisterTestInfo(
+    const char* test_case_name,
+    const char* name,
+    const char* type_param,
+    const char* value_param,
+    TypeId fixture_class_id,
+    SetUpTestCaseFunc set_up_tc,
+    TearDownTestCaseFunc tear_down_tc,
+    TestFactoryBase* factory) {
+  TestInfo* const test_info =
+      new TestInfo(test_case_name, name, type_param, value_param,
+                   fixture_class_id, factory);
+  GetUnitTestImpl()->AddTestInfo(set_up_tc, tear_down_tc, test_info);
+  return test_info;
+}
+
+#if GTEST_HAS_PARAM_TEST
+void ReportInvalidTestCaseType(const char* test_case_name,
+                               const char* file, int line) {
+  Message errors;
+  errors
+      << "Attempted redefinition of test case " << test_case_name << ".\n"
+      << "All tests in the same test case must use the same test fixture\n"
+      << "class.  However, in test case " << test_case_name << ", you tried\n"
+      << "to define a test using a fixture class different from the one\n"
+      << "used earlier. This can happen if the two fixture classes are\n"
+      << "from different namespaces and have the same name. You should\n"
+      << "probably rename one of the classes to put the tests into different\n"
+      << "test cases.";
+
+  fprintf(stderr, "%s %s", FormatFileLocation(file, line).c_str(),
+          errors.GetString().c_str());
+}
+#endif  // GTEST_HAS_PARAM_TEST
+
+}  // namespace internal
+
+namespace {
+
+// A predicate that checks the test name of a TestInfo against a known
+// value.
+//
+// This is used for implementation of the TestCase class only.  We put
+// it in the anonymous namespace to prevent polluting the outer
+// namespace.
+//
+// TestNameIs is copyable.
+
+//Commenting out this class since its not used and wherefor produces warnings
+// class TestNameIs {
+// public:
+//  // Constructor.
+//  //
+//  // TestNameIs has NO default constructor.
+//  explicit TestNameIs(const char* name)
+//      : name_(name) {}
+//
+//  // Returns true iff the test name of test_info matches name_.
+//  bool operator()(const TestInfo * test_info) const {
+//    return test_info && test_info->name() == name_;
+//  }
+//
+// private:
+//  std::string name_;
+//};
+
+}  // namespace
+
+namespace internal {
+
+// This method expands all parameterized tests registered with macros TEST_P
+// and INSTANTIATE_TEST_CASE_P into regular tests and registers those.
+// This will be done just once during the program runtime.
+void UnitTestImpl::RegisterParameterizedTests() {
+#if GTEST_HAS_PARAM_TEST
+  if (!parameterized_tests_registered_) {
+    parameterized_test_registry_.RegisterTests();
+    parameterized_tests_registered_ = true;
+  }
+#endif
+}
+
+}  // namespace internal
+
+// Creates the test object, runs it, records its result, and then
+// deletes it.
+void TestInfo::Run() {
+  if (!should_run_) return;
+
+  // Tells UnitTest where to store test result.
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  impl->set_current_test_info(this);
+
+  TestEventListener* repeater = UnitTest::GetInstance()->listeners().repeater();
+
+  // Notifies the unit test event listeners that a test is about to start.
+  repeater->OnTestStart(*this);
+
+  const TimeInMillis start = internal::GetTimeInMillis();
+
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+
+  // Creates the test object.
+  Test* const test = internal::HandleExceptionsInMethodIfSupported(
+      factory_, &internal::TestFactoryBase::CreateTest,
+      "the test fixture's constructor");
+
+  // Runs the test only if the test object was created and its
+  // constructor didn't generate a fatal failure.
+  if ((test != NULL) && !Test::HasFatalFailure()) {
+    // This doesn't throw as all user code that can throw are wrapped into
+    // exception handling code.
+    test->Run();
+  }
+
+  // Deletes the test object.
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+  internal::HandleExceptionsInMethodIfSupported(
+      test, &Test::DeleteSelf_, "the test fixture's destructor");
+
+  result_.set_elapsed_time(internal::GetTimeInMillis() - start);
+
+  // Notifies the unit test event listener that a test has just finished.
+  repeater->OnTestEnd(*this);
+
+  // Tells UnitTest to stop associating assertion results to this
+  // test.
+  impl->set_current_test_info(NULL);
+}
+
+// class TestCase
+
+// Gets the number of successful tests in this test case.
+int TestCase::successful_test_count() const {
+  return CountIf(test_info_list_, TestPassed);
+}
+
+// Gets the number of failed tests in this test case.
+int TestCase::failed_test_count() const {
+  return CountIf(test_info_list_, TestFailed);
+}
+
+// Gets the number of disabled tests that will be reported in the XML report.
+int TestCase::reportable_disabled_test_count() const {
+  return CountIf(test_info_list_, TestReportableDisabled);
+}
+
+// Gets the number of disabled tests in this test case.
+int TestCase::disabled_test_count() const {
+  return CountIf(test_info_list_, TestDisabled);
+}
+
+// Gets the number of tests to be printed in the XML report.
+int TestCase::reportable_test_count() const {
+  return CountIf(test_info_list_, TestReportable);
+}
+
+// Get the number of tests in this test case that should run.
+int TestCase::test_to_run_count() const {
+  return CountIf(test_info_list_, ShouldRunTest);
+}
+
+// Gets the number of all tests.
+int TestCase::total_test_count() const {
+  return static_cast<int>(test_info_list_.size());
+}
+
+// Creates a TestCase with the given name.
+//
+// Arguments:
+//
+//   name:         name of the test case
+//   a_type_param: the name of the test case's type parameter, or NULL if
+//                 this is not a typed or a type-parameterized test case.
+//   set_up_tc:    pointer to the function that sets up the test case
+//   tear_down_tc: pointer to the function that tears down the test case
+TestCase::TestCase(const char* a_name, const char* a_type_param,
+                   Test::SetUpTestCaseFunc set_up_tc,
+                   Test::TearDownTestCaseFunc tear_down_tc)
+    : name_(a_name),
+      type_param_(a_type_param ? new std::string(a_type_param) : NULL),
+      set_up_tc_(set_up_tc),
+      tear_down_tc_(tear_down_tc),
+      should_run_(false),
+      elapsed_time_(0) {
+}
+
+// Destructor of TestCase.
+TestCase::~TestCase() {
+  // Deletes every Test in the collection.
+  ForEach(test_info_list_, internal::Delete<TestInfo>);
+}
+
+// Returns the i-th test among all the tests. i can range from 0 to
+// total_test_count() - 1. If i is not in that range, returns NULL.
+const TestInfo* TestCase::GetTestInfo(int i) const {
+  const int index = GetElementOr(test_indices_, i, -1);
+  return index < 0 ? NULL : test_info_list_[index];
+}
+
+// Returns the i-th test among all the tests. i can range from 0 to
+// total_test_count() - 1. If i is not in that range, returns NULL.
+TestInfo* TestCase::GetMutableTestInfo(int i) {
+  const int index = GetElementOr(test_indices_, i, -1);
+  return index < 0 ? NULL : test_info_list_[index];
+}
+
+// Adds a test to this test case.  Will delete the test upon
+// destruction of the TestCase object.
+void TestCase::AddTestInfo(TestInfo * test_info) {
+  test_info_list_.push_back(test_info);
+  test_indices_.push_back(static_cast<int>(test_indices_.size()));
+}
+
+// Runs every test in this TestCase.
+void TestCase::Run() {
+  if (!should_run_) return;
+
+  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
+  impl->set_current_test_case(this);
+
+  TestEventListener* repeater = UnitTest::GetInstance()->listeners().repeater();
+
+  repeater->OnTestCaseStart(*this);
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+  internal::HandleExceptionsInMethodIfSupported(
+      this, &TestCase::RunSetUpTestCase, "SetUpTestCase()");
+
+  const internal::TimeInMillis start = internal::GetTimeInMillis();
+  for (int i = 0; i < total_test_count(); i++) {
+    GetMutableTestInfo(i)->Run();
+  }
+  elapsed_time_ = internal::GetTimeInMillis() - start;
+
+  impl->os_stack_trace_getter()->UponLeavingGTest();
+  internal::HandleExceptionsInMethodIfSupported(
+      this, &TestCase::RunTearDownTestCase, "TearDownTestCase()");
+
+  repeater->OnTestCaseEnd(*this);
+  impl->set_current_test_case(NULL);
+}
+
+// Clears the results of all tests in this test case.
+void TestCase::ClearResult() {
+  ad_hoc_test_result_.Clear();
+  ForEach(test_info_list_, TestInfo::ClearTestResult);
+}
+
+// Shuffles the tests in this test case.
+void TestCase::ShuffleTests(internal::Random* random) {
+  Shuffle(random, &test_indices_);
+}
+
+// Restores the test order to before the first shuffle.
+void TestCase::UnshuffleTests() {
+  for (size_t i = 0; i < test_indices_.size(); i++) {
+    test_indices_[i] = static_cast<int>(i);
+  }
+}
+
+// Formats a countable noun.  Depending on its quantity, either the
+// singular form or the plural form is used. e.g.
+//
+// FormatCountableNoun(1, "formula", "formuli") returns "1 formula".
+// FormatCountableNoun(5, "book", "books") returns "5 books".
+static std::string FormatCountableNoun(int count,
+                                       const char * singular_form,
+                                       const char * plural_form) {
+  return internal::StreamableToString(count) + " " +
+      (count == 1 ? singular_form : plural_form);
+}
+
+// Formats the count of tests.
+static std::string FormatTestCount(int test_count) {
+  return FormatCountableNoun(test_count, "test", "tests");
+}
+
+// Formats the count of test cases.
+static std::string FormatTestCaseCount(int test_case_count) {
+  return FormatCountableNoun(test_case_count, "test case", "test cases");
+}
+
+// Converts a TestPartResult::Type enum to human-friendly string
+// representation.  Both kNonFatalFailure and kFatalFailure are translated
+// to "Failure", as the user usually doesn't care about the difference
+// between the two when viewing the test result.
+static const char * TestPartResultTypeToString(TestPartResult::Type type) {
+  switch (type) {
+    case TestPartResult::kSuccess:
+      return "Success";
+
+    case TestPartResult::kNonFatalFailure:
+    case TestPartResult::kFatalFailure:
+#ifdef _MSC_VER
+      return "error: ";
+#else
+      return "Failure\n";
+#endif
+    default:
+      return "Unknown result type";
+  }
+}
+
+namespace internal {
+
+// Prints a TestPartResult to an std::string.
+static std::string PrintTestPartResultToString(
+    const TestPartResult& test_part_result) {
+  return (Message()
+          << internal::FormatFileLocation(test_part_result.file_name(),
+                                          test_part_result.line_number())
+          << " " << TestPartResultTypeToString(test_part_result.type())
+          << test_part_result.message()).GetString();
+}
+
+// Prints a TestPartResult.
+static void PrintTestPartResult(const TestPartResult& test_part_result) {
+  const std::string& result =
+      PrintTestPartResultToString(test_part_result);
+  printf("%s\n", result.c_str());
+  fflush(stdout);
+  // If the test program runs in Visual Studio or a debugger, the
+  // following statements add the test part result message to the Output
+  // window such that the user can double-click on it to jump to the
+  // corresponding source code location; otherwise they do nothing.
+#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
+  // We don't call OutputDebugString*() on Windows Mobile, as printing
+  // to stdout is done by OutputDebugString() there already - we don't
+  // want the same message printed twice.
+  ::OutputDebugStringA(result.c_str());
+  ::OutputDebugStringA("\n");
+#endif
+}
+
+// class PrettyUnitTestResultPrinter
+
+enum GTestColor {
+  COLOR_DEFAULT,
+  COLOR_RED,
+  COLOR_GREEN,
+  COLOR_YELLOW
+};
+
+#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
+
+// Returns the character attribute for the given color.
+WORD GetColorAttribute(GTestColor color) {
+  switch (color) {
+    case COLOR_RED:    return FOREGROUND_RED;
+    case COLOR_GREEN:  return FOREGROUND_GREEN;
+    case COLOR_YELLOW: return FOREGROUND_RED | FOREGROUND_GREEN;
+    default:           return 0;
+  }
+}
+
+#else
+
+// Returns the ANSI color code for the given color.  COLOR_DEFAULT is
+// an invalid input.
+const char* GetAnsiColorCode(GTestColor color) {
+  switch (color) {
+    case COLOR_RED:     return "1";
+    case COLOR_GREEN:   return "2";
+    case COLOR_YELLOW:  return "3";
+    default:            return NULL;
+  };
+}
+
+#endif  // GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
+
+// Returns true iff Google Test should use colors in the output.
+bool ShouldUseColor(bool stdout_is_tty) {
+  const char* const gtest_color = GTEST_FLAG(color).c_str();
+
+  if (String::CaseInsensitiveCStringEquals(gtest_color, "auto")) {
+#if GTEST_OS_WINDOWS
+    // On Windows the TERM variable is usually not set, but the
+    // console there does support colors.
+    return stdout_is_tty;
+#else
+    // On non-Windows platforms, we rely on the TERM variable.
+    const char* const term = posix::GetEnv("TERM");
+    const bool term_supports_color =
+        String::CStringEquals(term, "xterm") ||
+        String::CStringEquals(term, "xterm-color") ||
+        String::CStringEquals(term, "xterm-256color") ||
+        String::CStringEquals(term, "screen") ||
+        String::CStringEquals(term, "screen-256color") ||
+        String::CStringEquals(term, "linux") ||
+        String::CStringEquals(term, "cygwin");
+    return stdout_is_tty && term_supports_color;
+#endif  // GTEST_OS_WINDOWS
+  }
+
+  return String::CaseInsensitiveCStringEquals(gtest_color, "yes") ||
+      String::CaseInsensitiveCStringEquals(gtest_color, "true") ||
+      String::CaseInsensitiveCStringEquals(gtest_color, "t") ||
+      String::CStringEquals(gtest_color, "1");
+  // We take "yes", "true", "t", and "1" as meaning "yes".  If the
+  // value is neither one of these nor "auto", we treat it as "no" to
+  // be conservative.
+}
+
+// Helpers for printing colored strings to stdout. Note that on Windows, we
+// cannot simply emit special characters and have the terminal change colors.
+// This routine must actually emit the characters rather than return a string
+// that would be colored when printed, as can be done on Linux.
+void ColoredPrintf(GTestColor color, const char* fmt, ...) {
+  va_list args;
+  va_start(args, fmt);
+
+#if GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN || GTEST_OS_ZOS || GTEST_OS_IOS
+  const bool use_color = false;
+#else
+  static const bool in_color_mode =
+      ShouldUseColor(posix::IsATTY(posix::FileNo(stdout)) != 0);
+  const bool use_color = in_color_mode && (color != COLOR_DEFAULT);
+#endif  // GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN || GTEST_OS_ZOS
+  // The '!= 0' comparison is necessary to satisfy MSVC 7.1.
+
+  if (!use_color) {
+    vprintf(fmt, args);
+    va_end(args);
+    return;
+  }
+
+#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
+  const HANDLE stdout_handle = GetStdHandle(STD_OUTPUT_HANDLE);
+
+  // Gets the current text color.
+  CONSOLE_SCREEN_BUFFER_INFO buffer_info;
+  GetConsoleScreenBufferInfo(stdout_handle, &buffer_info);
+  const WORD old_color_attrs = buffer_info.wAttributes;
+
+  // We need to flush the stream buffers into the console before each
+  // SetConsoleTextAttribute call lest it affect the text that is already
+  // printed but has not yet reached the console.
+  fflush(stdout);
+  SetConsoleTextAttribute(stdout_handle,
+                          GetColorAttribute(color) | FOREGROUND_INTENSITY);
+  vprintf(fmt, args);
+
+  fflush(stdout);
+  // Restores the text color.
+  SetConsoleTextAttribute(stdout_handle, old_color_attrs);
+#else
+  printf("\033[0;3%sm", GetAnsiColorCode(color));
+  vprintf(fmt, args);
+  printf("\033[m");  // Resets the terminal to default.
+#endif  // GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
+  va_end(args);
+}
+
+// Text printed in Google Test's text output and --gunit_list_tests
+// output to label the type parameter and value parameter for a test.
+static const char kTypeParamLabel[] = "TypeParam";
+static const char kValueParamLabel[] = "GetParam()";
+
+void PrintFullTestCommentIfPresent(const TestInfo& test_info) {
+  const char* const type_param = test_info.type_param();
+  const char* const value_param = test_info.value_param();
+
+  if (type_param != NULL || value_param != NULL) {
+    printf(", where ");
+    if (type_param != NULL) {
+      printf("%s = %s", kTypeParamLabel, type_param);
+      if (value_param != NULL)
+        printf(" and ");
+    }
+    if (value_param != NULL) {
+      printf("%s = %s", kValueParamLabel, value_param);
+    }
+  }
+}
+
+// This class implements the TestEventListener interface.
+//
+// Class PrettyUnitTestResultPrinter is copyable.
+class PrettyUnitTestResultPrinter : public TestEventListener {
+ public:
+  PrettyUnitTestResultPrinter() {}
+  static void PrintTestName(const char * test_case, const char * test) {
+    printf("%s.%s", test_case, test);
+  }
+
+  // The following methods override what's in the TestEventListener class.
+  virtual void OnTestProgramStart(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestIterationStart(const UnitTest& unit_test, int iteration);
+  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test);
+  virtual void OnEnvironmentsSetUpEnd(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestCaseStart(const TestCase& test_case);
+  virtual void OnTestStart(const TestInfo& test_info);
+  virtual void OnTestPartResult(const TestPartResult& result);
+  virtual void OnTestEnd(const TestInfo& test_info);
+  virtual void OnTestCaseEnd(const TestCase& test_case);
+  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test);
+  virtual void OnEnvironmentsTearDownEnd(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
+  virtual void OnTestProgramEnd(const UnitTest& /*unit_test*/) {}
+
+ private:
+  static void PrintFailedTests(const UnitTest& unit_test);
+};
+
+  // Fired before each iteration of tests starts.
+void PrettyUnitTestResultPrinter::OnTestIterationStart(
+    const UnitTest& unit_test, int iteration) {
+  if (GTEST_FLAG(repeat) != 1)
+    printf("\nRepeating all tests (iteration %d) . . .\n\n", iteration + 1);
+
+  const char* const filter = GTEST_FLAG(filter).c_str();
+
+  // Prints the filter if it's not *.  This reminds the user that some
+  // tests may be skipped.
+  if (!String::CStringEquals(filter, kUniversalFilter)) {
+    ColoredPrintf(COLOR_YELLOW,
+                  "Note: %s filter = %s\n", GTEST_NAME_, filter);
+  }
+
+  if (internal::ShouldShard(kTestTotalShards, kTestShardIndex, false)) {
+    const Int32 shard_index = Int32FromEnvOrDie(kTestShardIndex, -1);
+    ColoredPrintf(COLOR_YELLOW,
+                  "Note: This is test shard %d of %s.\n",
+                  static_cast<int>(shard_index) + 1,
+                  internal::posix::GetEnv(kTestTotalShards));
+  }
+
+  if (GTEST_FLAG(shuffle)) {
+    ColoredPrintf(COLOR_YELLOW,
+                  "Note: Randomizing tests' orders with a seed of %d .\n",
+                  unit_test.random_seed());
+  }
+
+  ColoredPrintf(COLOR_GREEN,  "[==========] ");
+  printf("Running %s from %s.\n",
+         FormatTestCount(unit_test.test_to_run_count()).c_str(),
+         FormatTestCaseCount(unit_test.test_case_to_run_count()).c_str());
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnEnvironmentsSetUpStart(
+    const UnitTest& /*unit_test*/) {
+  ColoredPrintf(COLOR_GREEN,  "[----------] ");
+  printf("Global test environment set-up.\n");
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnTestCaseStart(const TestCase& test_case) {
+  const std::string counts =
+      FormatCountableNoun(test_case.test_to_run_count(), "test", "tests");
+  ColoredPrintf(COLOR_GREEN, "[----------] ");
+  printf("%s from %s", counts.c_str(), test_case.name());
+  if (test_case.type_param() == NULL) {
+    printf("\n");
+  } else {
+    printf(", where %s = %s\n", kTypeParamLabel, test_case.type_param());
+  }
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnTestStart(const TestInfo& test_info) {
+  ColoredPrintf(COLOR_GREEN,  "[ RUN      ] ");
+  PrintTestName(test_info.test_case_name(), test_info.name());
+  printf("\n");
+  fflush(stdout);
+}
+
+// Called after an assertion failure.
+void PrettyUnitTestResultPrinter::OnTestPartResult(
+    const TestPartResult& result) {
+  // If the test part succeeded, we don't need to do anything.
+  if (result.type() == TestPartResult::kSuccess)
+    return;
+
+  // Print failure message from the assertion (e.g. expected this and got that).
+  PrintTestPartResult(result);
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnTestEnd(const TestInfo& test_info) {
+  if (test_info.result()->Passed()) {
+    ColoredPrintf(COLOR_GREEN, "[       OK ] ");
+  } else {
+    ColoredPrintf(COLOR_RED, "[  FAILED  ] ");
+  }
+  PrintTestName(test_info.test_case_name(), test_info.name());
+  if (test_info.result()->Failed())
+    PrintFullTestCommentIfPresent(test_info);
+
+  if (GTEST_FLAG(print_time)) {
+    printf(" (%s ms)\n", internal::StreamableToString(
+           test_info.result()->elapsed_time()).c_str());
+  } else {
+    printf("\n");
+  }
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnTestCaseEnd(const TestCase& test_case) {
+  if (!GTEST_FLAG(print_time)) return;
+
+  const std::string counts =
+      FormatCountableNoun(test_case.test_to_run_count(), "test", "tests");
+  ColoredPrintf(COLOR_GREEN, "[----------] ");
+  printf("%s from %s (%s ms total)\n\n",
+         counts.c_str(), test_case.name(),
+         internal::StreamableToString(test_case.elapsed_time()).c_str());
+  fflush(stdout);
+}
+
+void PrettyUnitTestResultPrinter::OnEnvironmentsTearDownStart(
+    const UnitTest& /*unit_test*/) {
+  ColoredPrintf(COLOR_GREEN,  "[----------] ");
+  printf("Global test environment tear-down\n");
+  fflush(stdout);
+}
+
+// Internal helper for printing the list of failed tests.
+void PrettyUnitTestResultPrinter::PrintFailedTests(const UnitTest& unit_test) {
+  const int failed_test_count = unit_test.failed_test_count();
+  if (failed_test_count == 0) {
+    return;
+  }
+
+  for (int i = 0; i < unit_test.total_test_case_count(); ++i) {
+    const TestCase& test_case = *unit_test.GetTestCase(i);
+    if (!test_case.should_run() || (test_case.failed_test_count() == 0)) {
+      continue;
+    }
+    for (int j = 0; j < test_case.total_test_count(); ++j) {
+      const TestInfo& test_info = *test_case.GetTestInfo(j);
+      if (!test_info.should_run() || test_info.result()->Passed()) {
+        continue;
+      }
+      ColoredPrintf(COLOR_RED, "[  FAILED  ] ");
+      printf("%s.%s", test_case.name(), test_info.name());
+      PrintFullTestCommentIfPresent(test_info);
+      printf("\n");
+    }
+  }
+}
+
+void PrettyUnitTestResultPrinter::OnTestIterationEnd(const UnitTest& unit_test,
+                                                     int /*iteration*/) {
+  ColoredPrintf(COLOR_GREEN,  "[==========] ");
+  printf("%s from %s ran.",
+         FormatTestCount(unit_test.test_to_run_count()).c_str(),
+         FormatTestCaseCount(unit_test.test_case_to_run_count()).c_str());
+  if (GTEST_FLAG(print_time)) {
+    printf(" (%s ms total)",
+           internal::StreamableToString(unit_test.elapsed_time()).c_str());
+  }
+  printf("\n");
+  ColoredPrintf(COLOR_GREEN,  "[  PASSED  ] ");
+  printf("%s.\n", FormatTestCount(unit_test.successful_test_count()).c_str());
+
+  int num_failures = unit_test.failed_test_count();
+  if (!unit_test.Passed()) {
+    const int failed_test_count = unit_test.failed_test_count();
+    ColoredPrintf(COLOR_RED,  "[  FAILED  ] ");
+    printf("%s, listed below:\n", FormatTestCount(failed_test_count).c_str());
+    PrintFailedTests(unit_test);
+    printf("\n%2d FAILED %s\n", num_failures,
+                        num_failures == 1 ? "TEST" : "TESTS");
+  }
+
+  int num_disabled = unit_test.reportable_disabled_test_count();
+  if (num_disabled && !GTEST_FLAG(also_run_disabled_tests)) {
+    if (!num_failures) {
+      printf("\n");  // Add a spacer if no FAILURE banner is displayed.
+    }
+    ColoredPrintf(COLOR_YELLOW,
+                  "  YOU HAVE %d DISABLED %s\n\n",
+                  num_disabled,
+                  num_disabled == 1 ? "TEST" : "TESTS");
+  }
+  // Ensure that Google Test output is printed before, e.g., heapchecker output.
+  fflush(stdout);
+}
+
+// End PrettyUnitTestResultPrinter
+
+// class TestEventRepeater
+//
+// This class forwards events to other event listeners.
+class TestEventRepeater : public TestEventListener {
+ public:
+  TestEventRepeater() : forwarding_enabled_(true) {}
+  virtual ~TestEventRepeater();
+  void Append(TestEventListener *listener);
+  TestEventListener* Release(TestEventListener* listener);
+
+  // Controls whether events will be forwarded to listeners_. Set to false
+  // in death test child processes.
+  bool forwarding_enabled() const { return forwarding_enabled_; }
+  void set_forwarding_enabled(bool enable) { forwarding_enabled_ = enable; }
+
+  virtual void OnTestProgramStart(const UnitTest& unit_test);
+  virtual void OnTestIterationStart(const UnitTest& unit_test, int iteration);
+  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test);
+  virtual void OnEnvironmentsSetUpEnd(const UnitTest& unit_test);
+  virtual void OnTestCaseStart(const TestCase& test_case);
+  virtual void OnTestStart(const TestInfo& test_info);
+  virtual void OnTestPartResult(const TestPartResult& result);
+  virtual void OnTestEnd(const TestInfo& test_info);
+  virtual void OnTestCaseEnd(const TestCase& test_case);
+  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test);
+  virtual void OnEnvironmentsTearDownEnd(const UnitTest& unit_test);
+  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
+  virtual void OnTestProgramEnd(const UnitTest& unit_test);
+
+ private:
+  // Controls whether events will be forwarded to listeners_. Set to false
+  // in death test child processes.
+  bool forwarding_enabled_;
+  // The list of listeners that receive events.
+  std::vector<TestEventListener*> listeners_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestEventRepeater);
+};
+
+TestEventRepeater::~TestEventRepeater() {
+  ForEach(listeners_, Delete<TestEventListener>);
+}
+
+void TestEventRepeater::Append(TestEventListener *listener) {
+  listeners_.push_back(listener);
+}
+
+// TODO(vladl@google.com): Factor the search functionality into Vector::Find.
+TestEventListener* TestEventRepeater::Release(TestEventListener *listener) {
+  for (size_t i = 0; i < listeners_.size(); ++i) {
+    if (listeners_[i] == listener) {
+      listeners_.erase(listeners_.begin() + i);
+      return listener;
+    }
+  }
+
+  return NULL;
+}
+
+// Since most methods are very similar, use macros to reduce boilerplate.
+// This defines a member that forwards the call to all listeners.
+#define GTEST_REPEATER_METHOD_(Name, Type) \
+void TestEventRepeater::Name(const Type& parameter) { \
+  if (forwarding_enabled_) { \
+    for (size_t i = 0; i < listeners_.size(); i++) { \
+      listeners_[i]->Name(parameter); \
+    } \
+  } \
+}
+// This defines a member that forwards the call to all listeners in reverse
+// order.
+#define GTEST_REVERSE_REPEATER_METHOD_(Name, Type) \
+void TestEventRepeater::Name(const Type& parameter) { \
+  if (forwarding_enabled_) { \
+    for (int i = static_cast<int>(listeners_.size()) - 1; i >= 0; i--) { \
+      listeners_[i]->Name(parameter); \
+    } \
+  } \
+}
+
+GTEST_REPEATER_METHOD_(OnTestProgramStart, UnitTest)
+GTEST_REPEATER_METHOD_(OnEnvironmentsSetUpStart, UnitTest)
+GTEST_REPEATER_METHOD_(OnTestCaseStart, TestCase)
+GTEST_REPEATER_METHOD_(OnTestStart, TestInfo)
+GTEST_REPEATER_METHOD_(OnTestPartResult, TestPartResult)
+GTEST_REPEATER_METHOD_(OnEnvironmentsTearDownStart, UnitTest)
+GTEST_REVERSE_REPEATER_METHOD_(OnEnvironmentsSetUpEnd, UnitTest)
+GTEST_REVERSE_REPEATER_METHOD_(OnEnvironmentsTearDownEnd, UnitTest)
+GTEST_REVERSE_REPEATER_METHOD_(OnTestEnd, TestInfo)
+GTEST_REVERSE_REPEATER_METHOD_(OnTestCaseEnd, TestCase)
+GTEST_REVERSE_REPEATER_METHOD_(OnTestProgramEnd, UnitTest)
+
+#undef GTEST_REPEATER_METHOD_
+#undef GTEST_REVERSE_REPEATER_METHOD_
+
+void TestEventRepeater::OnTestIterationStart(const UnitTest& unit_test,
+                                             int iteration) {
+  if (forwarding_enabled_) {
+    for (size_t i = 0; i < listeners_.size(); i++) {
+      listeners_[i]->OnTestIterationStart(unit_test, iteration);
+    }
+  }
+}
+
+void TestEventRepeater::OnTestIterationEnd(const UnitTest& unit_test,
+                                           int iteration) {
+  if (forwarding_enabled_) {
+    for (int i = static_cast<int>(listeners_.size()) - 1; i >= 0; i--) {
+      listeners_[i]->OnTestIterationEnd(unit_test, iteration);
+    }
+  }
+}
+
+// End TestEventRepeater
+
+// This class generates an XML output file.
+class XmlUnitTestResultPrinter : public EmptyTestEventListener {
+ public:
+  explicit XmlUnitTestResultPrinter(const char* output_file);
+
+  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
+
+ private:
+  // Is c a whitespace character that is normalized to a space character
+  // when it appears in an XML attribute value?
+  static bool IsNormalizableWhitespace(char c) {
+    return c == 0x9 || c == 0xA || c == 0xD;
+  }
+
+  // May c appear in a well-formed XML document?
+  static bool IsValidXmlCharacter(char c) {
+    return IsNormalizableWhitespace(c) || c >= 0x20;
+  }
+
+  // Returns an XML-escaped copy of the input string str.  If
+  // is_attribute is true, the text is meant to appear as an attribute
+  // value, and normalizable whitespace is preserved by replacing it
+  // with character references.
+  static std::string EscapeXml(const std::string& str, bool is_attribute);
+
+  // Returns the given string with all characters invalid in XML removed.
+  static std::string RemoveInvalidXmlCharacters(const std::string& str);
+
+  // Convenience wrapper around EscapeXml when str is an attribute value.
+  static std::string EscapeXmlAttribute(const std::string& str) {
+    return EscapeXml(str, true);
+  }
+
+  // Convenience wrapper around EscapeXml when str is not an attribute value.
+  static std::string EscapeXmlText(const char* str) {
+    return EscapeXml(str, false);
+  }
+
+  // Verifies that the given attribute belongs to the given element and
+  // streams the attribute as XML.
+  static void OutputXmlAttribute(std::ostream* stream,
+                                 const std::string& element_name,
+                                 const std::string& name,
+                                 const std::string& value);
+
+  // Streams an XML CDATA section, escaping invalid CDATA sequences as needed.
+  static void OutputXmlCDataSection(::std::ostream* stream, const char* data);
+
+  // Streams an XML representation of a TestInfo object.
+  static void OutputXmlTestInfo(::std::ostream* stream,
+                                const char* test_case_name,
+                                const TestInfo& test_info);
+
+  // Prints an XML representation of a TestCase object
+  static void PrintXmlTestCase(::std::ostream* stream,
+                               const TestCase& test_case);
+
+  // Prints an XML summary of unit_test to output stream out.
+  static void PrintXmlUnitTest(::std::ostream* stream,
+                               const UnitTest& unit_test);
+
+  // Produces a string representing the test properties in a result as space
+  // delimited XML attributes based on the property key="value" pairs.
+  // When the std::string is not empty, it includes a space at the beginning,
+  // to delimit this attribute from prior attributes.
+  static std::string TestPropertiesAsXmlAttributes(const TestResult& result);
+
+  // The output file.
+  const std::string output_file_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(XmlUnitTestResultPrinter);
+};
+
+// Creates a new XmlUnitTestResultPrinter.
+XmlUnitTestResultPrinter::XmlUnitTestResultPrinter(const char* output_file)
+    : output_file_(output_file) {
+  if (output_file_.c_str() == NULL || output_file_.empty()) {
+    fprintf(stderr, "XML output file may not be null\n");
+    fflush(stderr);
+    exit(EXIT_FAILURE);
+  }
+}
+
+// Called after the unit test ends.
+void XmlUnitTestResultPrinter::OnTestIterationEnd(const UnitTest& unit_test,
+                                                  int /*iteration*/) {
+  FILE* xmlout = NULL;
+  FilePath output_file(output_file_);
+  FilePath output_dir(output_file.RemoveFileName());
+
+  if (output_dir.CreateDirectoriesRecursively()) {
+    xmlout = posix::FOpen(output_file_.c_str(), "w");
+  }
+  if (xmlout == NULL) {
+    // TODO(wan): report the reason of the failure.
+    //
+    // We don't do it for now as:
+    //
+    //   1. There is no urgent need for it.
+    //   2. It's a bit involved to make the errno variable thread-safe on
+    //      all three operating systems (Linux, Windows, and Mac OS).
+    //   3. To interpret the meaning of errno in a thread-safe way,
+    //      we need the strerror_r() function, which is not available on
+    //      Windows.
+    fprintf(stderr,
+            "Unable to open file \"%s\"\n",
+            output_file_.c_str());
+    fflush(stderr);
+    exit(EXIT_FAILURE);
+  }
+  std::stringstream stream;
+  PrintXmlUnitTest(&stream, unit_test);
+  fprintf(xmlout, "%s", StringStreamToString(&stream).c_str());
+  fclose(xmlout);
+}
+
+// Returns an XML-escaped copy of the input string str.  If is_attribute
+// is true, the text is meant to appear as an attribute value, and
+// normalizable whitespace is preserved by replacing it with character
+// references.
+//
+// Invalid XML characters in str, if any, are stripped from the output.
+// It is expected that most, if not all, of the text processed by this
+// module will consist of ordinary English text.
+// If this module is ever modified to produce version 1.1 XML output,
+// most invalid characters can be retained using character references.
+// TODO(wan): It might be nice to have a minimally invasive, human-readable
+// escaping scheme for invalid characters, rather than dropping them.
+std::string XmlUnitTestResultPrinter::EscapeXml(
+    const std::string& str, bool is_attribute) {
+  Message m;
+
+  for (size_t i = 0; i < str.size(); ++i) {
+    const char ch = str[i];
+    switch (ch) {
+      case '<':
+        m << "&lt;";
+        break;
+      case '>':
+        m << "&gt;";
+        break;
+      case '&':
+        m << "&amp;";
+        break;
+      case '\'':
+        if (is_attribute)
+          m << "&apos;";
+        else
+          m << '\'';
+        break;
+      case '"':
+        if (is_attribute)
+          m << "&quot;";
+        else
+          m << '"';
+        break;
+      default:
+        if (IsValidXmlCharacter(ch)) {
+          if (is_attribute && IsNormalizableWhitespace(ch))
+            m << "&#x" << String::FormatByte(static_cast<unsigned char>(ch))
+              << ";";
+          else
+            m << ch;
+        }
+        break;
+    }
+  }
+
+  return m.GetString();
+}
+
+// Returns the given string with all characters invalid in XML removed.
+// Currently invalid characters are dropped from the string. An
+// alternative is to replace them with certain characters such as . or ?.
+std::string XmlUnitTestResultPrinter::RemoveInvalidXmlCharacters(
+    const std::string& str) {
+  std::string output;
+  output.reserve(str.size());
+  for (std::string::const_iterator it = str.begin(); it != str.end(); ++it)
+    if (IsValidXmlCharacter(*it))
+      output.push_back(*it);
+
+  return output;
+}
+
+// The following routines generate an XML representation of a UnitTest
+// object.
+//
+// This is how Google Test concepts map to the DTD:
+//
+// <testsuites name="AllTests">        <-- corresponds to a UnitTest object
+//   <testsuite name="testcase-name">  <-- corresponds to a TestCase object
+//     <testcase name="test-name">     <-- corresponds to a TestInfo object
+//       <failure message="...">...</failure>
+//       <failure message="...">...</failure>
+//       <failure message="...">...</failure>
+//                                     <-- individual assertion failures
+//     </testcase>
+//   </testsuite>
+// </testsuites>
+
+// Formats the given time in milliseconds as seconds.
+std::string FormatTimeInMillisAsSeconds(TimeInMillis ms) {
+  ::std::stringstream ss;
+  ss << ms/1000.0;
+  return ss.str();
+}
+
+// Converts the given epoch time in milliseconds to a date string in the ISO
+// 8601 format, without the timezone information.
+std::string FormatEpochTimeInMillisAsIso8601(TimeInMillis ms) {
+  // Using non-reentrant version as localtime_r is not portable.
+  time_t seconds = static_cast<time_t>(ms / 1000);
+#ifdef _MSC_VER
+# pragma warning(push)          // Saves the current warning state.
+# pragma warning(disable:4996)  // Temporarily disables warning 4996
+                                // (function or variable may be unsafe).
+  const struct tm* const time_struct = localtime(&seconds);  // NOLINT
+# pragma warning(pop)           // Restores the warning state again.
+#else
+  const struct tm* const time_struct = localtime(&seconds);  // NOLINT
+#endif
+  if (time_struct == NULL)
+    return "";  // Invalid ms value
+
+  // YYYY-MM-DDThh:mm:ss
+  return StreamableToString(time_struct->tm_year + 1900) + "-" +
+      String::FormatIntWidth2(time_struct->tm_mon + 1) + "-" +
+      String::FormatIntWidth2(time_struct->tm_mday) + "T" +
+      String::FormatIntWidth2(time_struct->tm_hour) + ":" +
+      String::FormatIntWidth2(time_struct->tm_min) + ":" +
+      String::FormatIntWidth2(time_struct->tm_sec);
+}
+
+// Streams an XML CDATA section, escaping invalid CDATA sequences as needed.
+void XmlUnitTestResultPrinter::OutputXmlCDataSection(::std::ostream* stream,
+                                                     const char* data) {
+  const char* segment = data;
+  *stream << "<![CDATA[";
+  for (;;) {
+    const char* const next_segment = strstr(segment, "]]>");
+    if (next_segment != NULL) {
+      stream->write(
+          segment, static_cast<std::streamsize>(next_segment - segment));
+      *stream << "]]>]]&gt;<![CDATA[";
+      segment = next_segment + strlen("]]>");
+    } else {
+      *stream << segment;
+      break;
+    }
+  }
+  *stream << "]]>";
+}
+
+void XmlUnitTestResultPrinter::OutputXmlAttribute(
+    std::ostream* stream,
+    const std::string& element_name,
+    const std::string& name,
+    const std::string& value) {
+  const std::vector<std::string>& allowed_names =
+      GetReservedAttributesForElement(element_name);
+
+  GTEST_CHECK_(std::find(allowed_names.begin(), allowed_names.end(), name) !=
+                   allowed_names.end())
+      << "Attribute " << name << " is not allowed for element <" << element_name
+      << ">.";
+
+  *stream << " " << name << "=\"" << EscapeXmlAttribute(value) << "\"";
+}
+
+// Prints an XML representation of a TestInfo object.
+// TODO(wan): There is also value in printing properties with the plain printer.
+void XmlUnitTestResultPrinter::OutputXmlTestInfo(::std::ostream* stream,
+                                                 const char* test_case_name,
+                                                 const TestInfo& test_info) {
+  const TestResult& result = *test_info.result();
+  const std::string kTestcase = "testcase";
+
+  *stream << "    <testcase";
+  OutputXmlAttribute(stream, kTestcase, "name", test_info.name());
+
+  if (test_info.value_param() != NULL) {
+    OutputXmlAttribute(stream, kTestcase, "value_param",
+                       test_info.value_param());
+  }
+  if (test_info.type_param() != NULL) {
+    OutputXmlAttribute(stream, kTestcase, "type_param", test_info.type_param());
+  }
+
+  OutputXmlAttribute(stream, kTestcase, "status",
+                     test_info.should_run() ? "run" : "notrun");
+  OutputXmlAttribute(stream, kTestcase, "time",
+                     FormatTimeInMillisAsSeconds(result.elapsed_time()));
+  OutputXmlAttribute(stream, kTestcase, "classname", test_case_name);
+  *stream << TestPropertiesAsXmlAttributes(result);
+
+  int failures = 0;
+  for (int i = 0; i < result.total_part_count(); ++i) {
+    const TestPartResult& part = result.GetTestPartResult(i);
+    if (part.failed()) {
+      if (++failures == 1) {
+        *stream << ">\n";
+      }
+      const string location = internal::FormatCompilerIndependentFileLocation(
+          part.file_name(), part.line_number());
+      const string summary = location + "\n" + part.summary();
+      *stream << "      <failure message=\""
+              << EscapeXmlAttribute(summary.c_str())
+              << "\" type=\"\">";
+      const string detail = location + "\n" + part.message();
+      OutputXmlCDataSection(stream, RemoveInvalidXmlCharacters(detail).c_str());
+      *stream << "</failure>\n";
+    }
+  }
+
+  if (failures == 0)
+    *stream << " />\n";
+  else
+    *stream << "    </testcase>\n";
+}
+
+// Prints an XML representation of a TestCase object
+void XmlUnitTestResultPrinter::PrintXmlTestCase(std::ostream* stream,
+                                                const TestCase& test_case) {
+  const std::string kTestsuite = "testsuite";
+  *stream << "  <" << kTestsuite;
+  OutputXmlAttribute(stream, kTestsuite, "name", test_case.name());
+  OutputXmlAttribute(stream, kTestsuite, "tests",
+                     StreamableToString(test_case.reportable_test_count()));
+  OutputXmlAttribute(stream, kTestsuite, "failures",
+                     StreamableToString(test_case.failed_test_count()));
+  OutputXmlAttribute(
+      stream, kTestsuite, "disabled",
+      StreamableToString(test_case.reportable_disabled_test_count()));
+  OutputXmlAttribute(stream, kTestsuite, "errors", "0");
+  OutputXmlAttribute(stream, kTestsuite, "time",
+                     FormatTimeInMillisAsSeconds(test_case.elapsed_time()));
+  *stream << TestPropertiesAsXmlAttributes(test_case.ad_hoc_test_result())
+          << ">\n";
+
+  for (int i = 0; i < test_case.total_test_count(); ++i) {
+    if (test_case.GetTestInfo(i)->is_reportable())
+      OutputXmlTestInfo(stream, test_case.name(), *test_case.GetTestInfo(i));
+  }
+  *stream << "  </" << kTestsuite << ">\n";
+}
+
+// Prints an XML summary of unit_test to output stream out.
+void XmlUnitTestResultPrinter::PrintXmlUnitTest(std::ostream* stream,
+                                                const UnitTest& unit_test) {
+  const std::string kTestsuites = "testsuites";
+
+  *stream << "<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n";
+  *stream << "<" << kTestsuites;
+
+  OutputXmlAttribute(stream, kTestsuites, "tests",
+                     StreamableToString(unit_test.reportable_test_count()));
+  OutputXmlAttribute(stream, kTestsuites, "failures",
+                     StreamableToString(unit_test.failed_test_count()));
+  OutputXmlAttribute(
+      stream, kTestsuites, "disabled",
+      StreamableToString(unit_test.reportable_disabled_test_count()));
+  OutputXmlAttribute(stream, kTestsuites, "errors", "0");
+  OutputXmlAttribute(
+      stream, kTestsuites, "timestamp",
+      FormatEpochTimeInMillisAsIso8601(unit_test.start_timestamp()));
+  OutputXmlAttribute(stream, kTestsuites, "time",
+                     FormatTimeInMillisAsSeconds(unit_test.elapsed_time()));
+
+  if (GTEST_FLAG(shuffle)) {
+    OutputXmlAttribute(stream, kTestsuites, "random_seed",
+                       StreamableToString(unit_test.random_seed()));
+  }
+
+  *stream << TestPropertiesAsXmlAttributes(unit_test.ad_hoc_test_result());
+
+  OutputXmlAttribute(stream, kTestsuites, "name", "AllTests");
+  *stream << ">\n";
+
+  for (int i = 0; i < unit_test.total_test_case_count(); ++i) {
+    if (unit_test.GetTestCase(i)->reportable_test_count() > 0)
+      PrintXmlTestCase(stream, *unit_test.GetTestCase(i));
+  }
+  *stream << "</" << kTestsuites << ">\n";
+}
+
+// Produces a string representing the test properties in a result as space
+// delimited XML attributes based on the property key="value" pairs.
+std::string XmlUnitTestResultPrinter::TestPropertiesAsXmlAttributes(
+    const TestResult& result) {
+  Message attributes;
+  for (int i = 0; i < result.test_property_count(); ++i) {
+    const TestProperty& property = result.GetTestProperty(i);
+    attributes << " " << property.key() << "="
+        << "\"" << EscapeXmlAttribute(property.value()) << "\"";
+  }
+  return attributes.GetString();
+}
+
+// End XmlUnitTestResultPrinter
+
+#if GTEST_CAN_STREAM_RESULTS_
+
+// Checks if str contains '=', '&', '%' or '\n' characters. If yes,
+// replaces them by "%xx" where xx is their hexadecimal value. For
+// example, replaces "=" with "%3D".  This algorithm is O(strlen(str))
+// in both time and space -- important as the input str may contain an
+// arbitrarily long test failure message and stack trace.
+string StreamingListener::UrlEncode(const char* str) {
+  string result;
+  result.reserve(strlen(str) + 1);
+  for (char ch = *str; ch != '\0'; ch = *++str) {
+    switch (ch) {
+      case '%':
+      case '=':
+      case '&':
+      case '\n':
+        result.append("%" + String::FormatByte(static_cast<unsigned char>(ch)));
+        break;
+      default:
+        result.push_back(ch);
+        break;
+    }
+  }
+  return result;
+}
+
+void StreamingListener::SocketWriter::MakeConnection() {
+  GTEST_CHECK_(sockfd_ == -1)
+      << "MakeConnection() can't be called when there is already a connection.";
+
+  addrinfo hints;
+  memset(&hints, 0, sizeof(hints));
+  hints.ai_family = AF_UNSPEC;    // To allow both IPv4 and IPv6 addresses.
+  hints.ai_socktype = SOCK_STREAM;
+  addrinfo* servinfo = NULL;
+
+  // Use the getaddrinfo() to get a linked list of IP addresses for
+  // the given host name.
+  const int error_num = getaddrinfo(
+      host_name_.c_str(), port_num_.c_str(), &hints, &servinfo);
+  if (error_num != 0) {
+    GTEST_LOG_(WARNING) << "stream_result_to: getaddrinfo() failed: "
+                        << gai_strerror(error_num);
+  }
+
+  // Loop through all the results and connect to the first we can.
+  for (addrinfo* cur_addr = servinfo; sockfd_ == -1 && cur_addr != NULL;
+       cur_addr = cur_addr->ai_next) {
+    sockfd_ = socket(
+        cur_addr->ai_family, cur_addr->ai_socktype, cur_addr->ai_protocol);
+    if (sockfd_ != -1) {
+      // Connect the client socket to the server socket.
+      if (connect(sockfd_, cur_addr->ai_addr, cur_addr->ai_addrlen) == -1) {
+        close(sockfd_);
+        sockfd_ = -1;
+      }
+    }
+  }
+
+  freeaddrinfo(servinfo);  // all done with this structure
+
+  if (sockfd_ == -1) {
+    GTEST_LOG_(WARNING) << "stream_result_to: failed to connect to "
+                        << host_name_ << ":" << port_num_;
+  }
+}
+
+// End of class Streaming Listener
+#endif  // GTEST_CAN_STREAM_RESULTS__
+
+// Class ScopedTrace
+
+// Pushes the given source file location and message onto a per-thread
+// trace stack maintained by Google Test.
+ScopedTrace::ScopedTrace(const char* file, int line, const Message& message)
+    GTEST_LOCK_EXCLUDED_(&UnitTest::mutex_) {
+  TraceInfo trace;
+  trace.file = file;
+  trace.line = line;
+  trace.message = message.GetString();
+
+  UnitTest::GetInstance()->PushGTestTrace(trace);
+}
+
+// Pops the info pushed by the c'tor.
+ScopedTrace::~ScopedTrace()
+    GTEST_LOCK_EXCLUDED_(&UnitTest::mutex_) {
+  UnitTest::GetInstance()->PopGTestTrace();
+}
+
+
+// class OsStackTraceGetter
+
+// Returns the current OS stack trace as an std::string.  Parameters:
+//
+//   max_depth  - the maximum number of stack frames to be included
+//                in the trace.
+//   skip_count - the number of top frames to be skipped; doesn't count
+//                against max_depth.
+//
+string OsStackTraceGetter::CurrentStackTrace(int /* max_depth */,
+                                             int /* skip_count */)
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+  return "";
+}
+
+void OsStackTraceGetter::UponLeavingGTest()
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+}
+
+const char* const
+OsStackTraceGetter::kElidedFramesMarker =
+    "... " GTEST_NAME_ " internal frames ...";
+
+// A helper class that creates the premature-exit file in its
+// constructor and deletes the file in its destructor.
+class ScopedPrematureExitFile {
+ public:
+  explicit ScopedPrematureExitFile(const char* premature_exit_filepath)
+      : premature_exit_filepath_(premature_exit_filepath) {
+    // If a path to the premature-exit file is specified...
+    if (premature_exit_filepath != NULL && *premature_exit_filepath != '\0') {
+      // create the file with a single "0" character in it.  I/O
+      // errors are ignored as there's nothing better we can do and we
+      // don't want to fail the test because of this.
+      FILE* pfile = posix::FOpen(premature_exit_filepath, "w");
+      fwrite("0", 1, 1, pfile);
+      fclose(pfile);
+    }
+  }
+
+  ~ScopedPrematureExitFile() {
+    if (premature_exit_filepath_ != NULL && *premature_exit_filepath_ != '\0') {
+      remove(premature_exit_filepath_);
+    }
+  }
+
+ private:
+  const char* const premature_exit_filepath_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedPrematureExitFile);
+};
+
+}  // namespace internal
+
+// class TestEventListeners
+
+TestEventListeners::TestEventListeners()
+    : repeater_(new internal::TestEventRepeater()),
+      default_result_printer_(NULL),
+      default_xml_generator_(NULL) {
+}
+
+TestEventListeners::~TestEventListeners() { delete repeater_; }
+
+// Returns the standard listener responsible for the default console
+// output.  Can be removed from the listeners list to shut down default
+// console output.  Note that removing this object from the listener list
+// with Release transfers its ownership to the user.
+void TestEventListeners::Append(TestEventListener* listener) {
+  repeater_->Append(listener);
+}
+
+// Removes the given event listener from the list and returns it.  It then
+// becomes the caller's responsibility to delete the listener. Returns
+// NULL if the listener is not found in the list.
+TestEventListener* TestEventListeners::Release(TestEventListener* listener) {
+  if (listener == default_result_printer_)
+    default_result_printer_ = NULL;
+  else if (listener == default_xml_generator_)
+    default_xml_generator_ = NULL;
+  return repeater_->Release(listener);
+}
+
+// Returns repeater that broadcasts the TestEventListener events to all
+// subscribers.
+TestEventListener* TestEventListeners::repeater() { return repeater_; }
+
+// Sets the default_result_printer attribute to the provided listener.
+// The listener is also added to the listener list and previous
+// default_result_printer is removed from it and deleted. The listener can
+// also be NULL in which case it will not be added to the list. Does
+// nothing if the previous and the current listener objects are the same.
+void TestEventListeners::SetDefaultResultPrinter(TestEventListener* listener) {
+  if (default_result_printer_ != listener) {
+    // It is an error to pass this method a listener that is already in the
+    // list.
+    delete Release(default_result_printer_);
+    default_result_printer_ = listener;
+    if (listener != NULL)
+      Append(listener);
+  }
+}
+
+// Sets the default_xml_generator attribute to the provided listener.  The
+// listener is also added to the listener list and previous
+// default_xml_generator is removed from it and deleted. The listener can
+// also be NULL in which case it will not be added to the list. Does
+// nothing if the previous and the current listener objects are the same.
+void TestEventListeners::SetDefaultXmlGenerator(TestEventListener* listener) {
+  if (default_xml_generator_ != listener) {
+    // It is an error to pass this method a listener that is already in the
+    // list.
+    delete Release(default_xml_generator_);
+    default_xml_generator_ = listener;
+    if (listener != NULL)
+      Append(listener);
+  }
+}
+
+// Controls whether events will be forwarded by the repeater to the
+// listeners in the list.
+bool TestEventListeners::EventForwardingEnabled() const {
+  return repeater_->forwarding_enabled();
+}
+
+void TestEventListeners::SuppressEventForwarding() {
+  repeater_->set_forwarding_enabled(false);
+}
+
+// class UnitTest
+
+// Gets the singleton UnitTest object.  The first time this method is
+// called, a UnitTest object is constructed and returned.  Consecutive
+// calls will return the same object.
+//
+// We don't protect this under mutex_ as a user is not supposed to
+// call this before main() starts, from which point on the return
+// value will never change.
+UnitTest* UnitTest::GetInstance() {
+  // When compiled with MSVC 7.1 in optimized mode, destroying the
+  // UnitTest object upon exiting the program messes up the exit code,
+  // causing successful tests to appear failed.  We have to use a
+  // different implementation in this case to bypass the compiler bug.
+  // This implementation makes the compiler happy, at the cost of
+  // leaking the UnitTest object.
+
+  // CodeGear C++Builder insists on a public destructor for the
+  // default implementation.  Use this implementation to keep good OO
+  // design with private destructor.
+
+#if (_MSC_VER == 1310 && !defined(_DEBUG)) || defined(__BORLANDC__)
+  static UnitTest* const instance = new UnitTest;
+  return instance;
+#else
+  static UnitTest instance;
+  return &instance;
+#endif  // (_MSC_VER == 1310 && !defined(_DEBUG)) || defined(__BORLANDC__)
+}
+
+// Gets the number of successful test cases.
+int UnitTest::successful_test_case_count() const {
+  return impl()->successful_test_case_count();
+}
+
+// Gets the number of failed test cases.
+int UnitTest::failed_test_case_count() const {
+  return impl()->failed_test_case_count();
+}
+
+// Gets the number of all test cases.
+int UnitTest::total_test_case_count() const {
+  return impl()->total_test_case_count();
+}
+
+// Gets the number of all test cases that contain at least one test
+// that should run.
+int UnitTest::test_case_to_run_count() const {
+  return impl()->test_case_to_run_count();
+}
+
+// Gets the number of successful tests.
+int UnitTest::successful_test_count() const {
+  return impl()->successful_test_count();
+}
+
+// Gets the number of failed tests.
+int UnitTest::failed_test_count() const { return impl()->failed_test_count(); }
+
+// Gets the number of disabled tests that will be reported in the XML report.
+int UnitTest::reportable_disabled_test_count() const {
+  return impl()->reportable_disabled_test_count();
+}
+
+// Gets the number of disabled tests.
+int UnitTest::disabled_test_count() const {
+  return impl()->disabled_test_count();
+}
+
+// Gets the number of tests to be printed in the XML report.
+int UnitTest::reportable_test_count() const {
+  return impl()->reportable_test_count();
+}
+
+// Gets the number of all tests.
+int UnitTest::total_test_count() const { return impl()->total_test_count(); }
+
+// Gets the number of tests that should run.
+int UnitTest::test_to_run_count() const { return impl()->test_to_run_count(); }
+
+// Gets the time of the test program start, in ms from the start of the
+// UNIX epoch.
+internal::TimeInMillis UnitTest::start_timestamp() const {
+    return impl()->start_timestamp();
+}
+
+// Gets the elapsed time, in milliseconds.
+internal::TimeInMillis UnitTest::elapsed_time() const {
+  return impl()->elapsed_time();
+}
+
+// Returns true iff the unit test passed (i.e. all test cases passed).
+bool UnitTest::Passed() const { return impl()->Passed(); }
+
+// Returns true iff the unit test failed (i.e. some test case failed
+// or something outside of all tests failed).
+bool UnitTest::Failed() const { return impl()->Failed(); }
+
+// Gets the i-th test case among all the test cases. i can range from 0 to
+// total_test_case_count() - 1. If i is not in that range, returns NULL.
+const TestCase* UnitTest::GetTestCase(int i) const {
+  return impl()->GetTestCase(i);
+}
+
+// Returns the TestResult containing information on test failures and
+// properties logged outside of individual test cases.
+const TestResult& UnitTest::ad_hoc_test_result() const {
+  return *impl()->ad_hoc_test_result();
+}
+
+// Gets the i-th test case among all the test cases. i can range from 0 to
+// total_test_case_count() - 1. If i is not in that range, returns NULL.
+TestCase* UnitTest::GetMutableTestCase(int i) {
+  return impl()->GetMutableTestCase(i);
+}
+
+// Returns the list of event listeners that can be used to track events
+// inside Google Test.
+TestEventListeners& UnitTest::listeners() {
+  return *impl()->listeners();
+}
+
+// Registers and returns a global test environment.  When a test
+// program is run, all global test environments will be set-up in the
+// order they were registered.  After all tests in the program have
+// finished, all global test environments will be torn-down in the
+// *reverse* order they were registered.
+//
+// The UnitTest object takes ownership of the given environment.
+//
+// We don't protect this under mutex_, as we only support calling it
+// from the main thread.
+Environment* UnitTest::AddEnvironment(Environment* env) {
+  if (env == NULL) {
+    return NULL;
+  }
+
+  impl_->environments().push_back(env);
+  return env;
+}
+
+// Adds a TestPartResult to the current TestResult object.  All Google Test
+// assertion macros (e.g. ASSERT_TRUE, EXPECT_EQ, etc) eventually call
+// this to report their results.  The user code should use the
+// assertion macros instead of calling this directly.
+void UnitTest::AddTestPartResult(
+    TestPartResult::Type result_type,
+    const char* file_name,
+    int line_number,
+    const std::string& message,
+    const std::string& os_stack_trace) GTEST_LOCK_EXCLUDED_(mutex_) {
+  Message msg;
+  msg << message;
+
+  internal::MutexLock lock(&mutex_);
+  if (impl_->gtest_trace_stack().size() > 0) {
+    msg << "\n" << GTEST_NAME_ << " trace:";
+
+    for (int i = static_cast<int>(impl_->gtest_trace_stack().size());
+         i > 0; --i) {
+      const internal::TraceInfo& trace = impl_->gtest_trace_stack()[i - 1];
+      msg << "\n" << internal::FormatFileLocation(trace.file, trace.line)
+          << " " << trace.message;
+    }
+  }
+
+  if (os_stack_trace.c_str() != NULL && !os_stack_trace.empty()) {
+    msg << internal::kStackTraceMarker << os_stack_trace;
+  }
+
+  const TestPartResult result =
+    TestPartResult(result_type, file_name, line_number,
+                   msg.GetString().c_str());
+  impl_->GetTestPartResultReporterForCurrentThread()->
+      ReportTestPartResult(result);
+
+  if (result_type != TestPartResult::kSuccess) {
+    // gtest_break_on_failure takes precedence over
+    // gtest_throw_on_failure.  This allows a user to set the latter
+    // in the code (perhaps in order to use Google Test assertions
+    // with another testing framework) and specify the former on the
+    // command line for debugging.
+    if (GTEST_FLAG(break_on_failure)) {
+#if GTEST_OS_WINDOWS
+      // Using DebugBreak on Windows allows gtest to still break into a debugger
+      // when a failure happens and both the --gtest_break_on_failure and
+      // the --gtest_catch_exceptions flags are specified.
+      DebugBreak();
+#else
+      // Dereference NULL through a volatile pointer to prevent the compiler
+      // from removing. We use this rather than abort() or __builtin_trap() for
+      // portability: Symbian doesn't implement abort() well, and some debuggers
+      // don't correctly trap abort().
+      *static_cast<volatile int*>(NULL) = 1;
+#endif  // GTEST_OS_WINDOWS
+    } else if (GTEST_FLAG(throw_on_failure)) {
+#if GTEST_HAS_EXCEPTIONS
+      throw internal::GoogleTestFailureException(result);
+#else
+      // We cannot call abort() as it generates a pop-up in debug mode
+      // that cannot be suppressed in VC 7.1 or below.
+      exit(1);
+#endif
+    }
+  }
+}
+
+// Adds a TestProperty to the current TestResult object when invoked from
+// inside a test, to current TestCase's ad_hoc_test_result_ when invoked
+// from SetUpTestCase or TearDownTestCase, or to the global property set
+// when invoked elsewhere.  If the result already contains a property with
+// the same key, the value will be updated.
+void UnitTest::RecordProperty(const std::string& key,
+                              const std::string& value) {
+  impl_->RecordProperty(TestProperty(key, value));
+}
+
+// Runs all tests in this UnitTest object and prints the result.
+// Returns 0 if successful, or 1 otherwise.
+//
+// We don't protect this under mutex_, as we only support calling it
+// from the main thread.
+int UnitTest::Run() {
+  const bool in_death_test_child_process =
+      internal::GTEST_FLAG(internal_run_death_test).length() > 0;
+
+  // Google Test implements this protocol for catching that a test
+  // program exits before returning control to Google Test:
+  //
+  //   1. Upon start, Google Test creates a file whose absolute path
+  //      is specified by the environment variable
+  //      TEST_PREMATURE_EXIT_FILE.
+  //   2. When Google Test has finished its work, it deletes the file.
+  //
+  // This allows a test runner to set TEST_PREMATURE_EXIT_FILE before
+  // running a Google-Test-based test program and check the existence
+  // of the file at the end of the test execution to see if it has
+  // exited prematurely.
+
+  // If we are in the child process of a death test, don't
+  // create/delete the premature exit file, as doing so is unnecessary
+  // and will confuse the parent process.  Otherwise, create/delete
+  // the file upon entering/leaving this function.  If the program
+  // somehow exits before this function has a chance to return, the
+  // premature-exit file will be left undeleted, causing a test runner
+  // that understands the premature-exit-file protocol to report the
+  // test as having failed.
+  const internal::ScopedPrematureExitFile premature_exit_file(
+      in_death_test_child_process ?
+      NULL : internal::posix::GetEnv("TEST_PREMATURE_EXIT_FILE"));
+
+  // Captures the value of GTEST_FLAG(catch_exceptions).  This value will be
+  // used for the duration of the program.
+  impl()->set_catch_exceptions(GTEST_FLAG(catch_exceptions));
+
+#if GTEST_HAS_SEH
+  // Either the user wants Google Test to catch exceptions thrown by the
+  // tests or this is executing in the context of death test child
+  // process. In either case the user does not want to see pop-up dialogs
+  // about crashes - they are expected.
+  if (impl()->catch_exceptions() || in_death_test_child_process) {
+# if !GTEST_OS_WINDOWS_MOBILE
+    // SetErrorMode doesn't exist on CE.
+    SetErrorMode(SEM_FAILCRITICALERRORS | SEM_NOALIGNMENTFAULTEXCEPT |
+                 SEM_NOGPFAULTERRORBOX | SEM_NOOPENFILEERRORBOX);
+# endif  // !GTEST_OS_WINDOWS_MOBILE
+
+# if (defined(_MSC_VER) || GTEST_OS_WINDOWS_MINGW) && !GTEST_OS_WINDOWS_MOBILE
+    // Death test children can be terminated with _abort().  On Windows,
+    // _abort() can show a dialog with a warning message.  This forces the
+    // abort message to go to stderr instead.
+    _set_error_mode(_OUT_TO_STDERR);
+# endif
+
+# if _MSC_VER >= 1400 && !GTEST_OS_WINDOWS_MOBILE
+    // In the debug version, Visual Studio pops up a separate dialog
+    // offering a choice to debug the aborted program. We need to suppress
+    // this dialog or it will pop up for every EXPECT/ASSERT_DEATH statement
+    // executed. Google Test will notify the user of any unexpected
+    // failure via stderr.
+    //
+    // VC++ doesn't define _set_abort_behavior() prior to the version 8.0.
+    // Users of prior VC versions shall suffer the agony and pain of
+    // clicking through the countless debug dialogs.
+    // TODO(vladl@google.com): find a way to suppress the abort dialog() in the
+    // debug mode when compiled with VC 7.1 or lower.
+    if (!GTEST_FLAG(break_on_failure))
+      _set_abort_behavior(
+          0x0,                                    // Clear the following flags:
+          _WRITE_ABORT_MSG | _CALL_REPORTFAULT);  // pop-up window, core dump.
+# endif
+  }
+#endif  // GTEST_HAS_SEH
+
+  return internal::HandleExceptionsInMethodIfSupported(
+      impl(),
+      &internal::UnitTestImpl::RunAllTests,
+      "auxiliary test code (environments or event listeners)") ? 0 : 1;
+}
+
+// Returns the working directory when the first TEST() or TEST_F() was
+// executed.
+const char* UnitTest::original_working_dir() const {
+  return impl_->original_working_dir_.c_str();
+}
+
+// Returns the TestCase object for the test that's currently running,
+// or NULL if no test is running.
+const TestCase* UnitTest::current_test_case() const
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+  internal::MutexLock lock(&mutex_);
+  return impl_->current_test_case();
+}
+
+// Returns the TestInfo object for the test that's currently running,
+// or NULL if no test is running.
+const TestInfo* UnitTest::current_test_info() const
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+  internal::MutexLock lock(&mutex_);
+  return impl_->current_test_info();
+}
+
+// Returns the random seed used at the start of the current test run.
+int UnitTest::random_seed() const { return impl_->random_seed(); }
+
+#if GTEST_HAS_PARAM_TEST
+// Returns ParameterizedTestCaseRegistry object used to keep track of
+// value-parameterized tests and instantiate and register them.
+internal::ParameterizedTestCaseRegistry&
+    UnitTest::parameterized_test_registry()
+        GTEST_LOCK_EXCLUDED_(mutex_) {
+  return impl_->parameterized_test_registry();
+}
+#endif  // GTEST_HAS_PARAM_TEST
+
+// Creates an empty UnitTest.
+UnitTest::UnitTest() {
+  impl_ = new internal::UnitTestImpl(this);
+}
+
+// Destructor of UnitTest.
+UnitTest::~UnitTest() {
+  delete impl_;
+}
+
+// Pushes a trace defined by SCOPED_TRACE() on to the per-thread
+// Google Test trace stack.
+void UnitTest::PushGTestTrace(const internal::TraceInfo& trace)
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+  internal::MutexLock lock(&mutex_);
+  impl_->gtest_trace_stack().push_back(trace);
+}
+
+// Pops a trace from the per-thread Google Test trace stack.
+void UnitTest::PopGTestTrace()
+    GTEST_LOCK_EXCLUDED_(mutex_) {
+  internal::MutexLock lock(&mutex_);
+  impl_->gtest_trace_stack().pop_back();
+}
+
+namespace internal {
+
+UnitTestImpl::UnitTestImpl(UnitTest* parent)
+    : parent_(parent),
+#ifdef _MSC_VER
+# pragma warning(push)                    // Saves the current warning state.
+# pragma warning(disable:4355)            // Temporarily disables warning 4355
+                                         // (using this in initializer).
+      default_global_test_part_result_reporter_(this),
+      default_per_thread_test_part_result_reporter_(this),
+# pragma warning(pop)                     // Restores the warning state again.
+#else
+      default_global_test_part_result_reporter_(this),
+      default_per_thread_test_part_result_reporter_(this),
+#endif  // _MSC_VER
+      global_test_part_result_repoter_(
+          &default_global_test_part_result_reporter_),
+      per_thread_test_part_result_reporter_(
+          &default_per_thread_test_part_result_reporter_),
+#if GTEST_HAS_PARAM_TEST
+      parameterized_test_registry_(),
+      parameterized_tests_registered_(false),
+#endif  // GTEST_HAS_PARAM_TEST
+      last_death_test_case_(-1),
+      current_test_case_(NULL),
+      current_test_info_(NULL),
+      ad_hoc_test_result_(),
+      os_stack_trace_getter_(NULL),
+      post_flag_parse_init_performed_(false),
+      random_seed_(0),  // Will be overridden by the flag before first use.
+      random_(0),  // Will be reseeded before first use.
+      start_timestamp_(0),
+      elapsed_time_(0),
+#if GTEST_HAS_DEATH_TEST
+      death_test_factory_(new DefaultDeathTestFactory),
+#endif
+      // Will be overridden by the flag before first use.
+      catch_exceptions_(false) {
+  listeners()->SetDefaultResultPrinter(new PrettyUnitTestResultPrinter);
+}
+
+UnitTestImpl::~UnitTestImpl() {
+  // Deletes every TestCase.
+  ForEach(test_cases_, internal::Delete<TestCase>);
+
+  // Deletes every Environment.
+  ForEach(environments_, internal::Delete<Environment>);
+
+  delete os_stack_trace_getter_;
+}
+
+// Adds a TestProperty to the current TestResult object when invoked in a
+// context of a test, to current test case's ad_hoc_test_result when invoke
+// from SetUpTestCase/TearDownTestCase, or to the global property set
+// otherwise.  If the result already contains a property with the same key,
+// the value will be updated.
+void UnitTestImpl::RecordProperty(const TestProperty& test_property) {
+  std::string xml_element;
+  TestResult* test_result;  // TestResult appropriate for property recording.
+
+  if (current_test_info_ != NULL) {
+    xml_element = "testcase";
+    test_result = &(current_test_info_->result_);
+  } else if (current_test_case_ != NULL) {
+    xml_element = "testsuite";
+    test_result = &(current_test_case_->ad_hoc_test_result_);
+  } else {
+    xml_element = "testsuites";
+    test_result = &ad_hoc_test_result_;
+  }
+  test_result->RecordProperty(xml_element, test_property);
+}
+
+#if GTEST_HAS_DEATH_TEST
+// Disables event forwarding if the control is currently in a death test
+// subprocess. Must not be called before InitGoogleTest.
+void UnitTestImpl::SuppressTestEventsIfInSubprocess() {
+  if (internal_run_death_test_flag_.get() != NULL)
+    listeners()->SuppressEventForwarding();
+}
+#endif  // GTEST_HAS_DEATH_TEST
+
+// Initializes event listeners performing XML output as specified by
+// UnitTestOptions. Must not be called before InitGoogleTest.
+void UnitTestImpl::ConfigureXmlOutput() {
+  const std::string& output_format = UnitTestOptions::GetOutputFormat();
+  if (output_format == "xml") {
+    listeners()->SetDefaultXmlGenerator(new XmlUnitTestResultPrinter(
+        UnitTestOptions::GetAbsolutePathToOutputFile().c_str()));
+  } else if (output_format != "") {
+    printf("WARNING: unrecognized output format \"%s\" ignored.\n",
+           output_format.c_str());
+    fflush(stdout);
+  }
+}
+
+#if GTEST_CAN_STREAM_RESULTS_
+// Initializes event listeners for streaming test results in string form.
+// Must not be called before InitGoogleTest.
+void UnitTestImpl::ConfigureStreamingOutput() {
+  const std::string& target = GTEST_FLAG(stream_result_to);
+  if (!target.empty()) {
+    const size_t pos = target.find(':');
+    if (pos != std::string::npos) {
+      listeners()->Append(new StreamingListener(target.substr(0, pos),
+                                                target.substr(pos+1)));
+    } else {
+      printf("WARNING: unrecognized streaming target \"%s\" ignored.\n",
+             target.c_str());
+      fflush(stdout);
+    }
+  }
+}
+#endif  // GTEST_CAN_STREAM_RESULTS_
+
+// Performs initialization dependent upon flag values obtained in
+// ParseGoogleTestFlagsOnly.  Is called from InitGoogleTest after the call to
+// ParseGoogleTestFlagsOnly.  In case a user neglects to call InitGoogleTest
+// this function is also called from RunAllTests.  Since this function can be
+// called more than once, it has to be idempotent.
+void UnitTestImpl::PostFlagParsingInit() {
+  // Ensures that this function does not execute more than once.
+  if (!post_flag_parse_init_performed_) {
+    post_flag_parse_init_performed_ = true;
+
+#if GTEST_HAS_DEATH_TEST
+    InitDeathTestSubprocessControlInfo();
+    SuppressTestEventsIfInSubprocess();
+#endif  // GTEST_HAS_DEATH_TEST
+
+    // Registers parameterized tests. This makes parameterized tests
+    // available to the UnitTest reflection API without running
+    // RUN_ALL_TESTS.
+    RegisterParameterizedTests();
+
+    // Configures listeners for XML output. This makes it possible for users
+    // to shut down the default XML output before invoking RUN_ALL_TESTS.
+    ConfigureXmlOutput();
+
+#if GTEST_CAN_STREAM_RESULTS_
+    // Configures listeners for streaming test results to the specified server.
+    ConfigureStreamingOutput();
+#endif  // GTEST_CAN_STREAM_RESULTS_
+  }
+}
+
+// A predicate that checks the name of a TestCase against a known
+// value.
+//
+// This is used for implementation of the UnitTest class only.  We put
+// it in the anonymous namespace to prevent polluting the outer
+// namespace.
+//
+// TestCaseNameIs is copyable.
+class TestCaseNameIs {
+ public:
+  // Constructor.
+  explicit TestCaseNameIs(const std::string& name)
+      : name_(name) {}
+
+  // Returns true iff the name of test_case matches name_.
+  bool operator()(const TestCase* test_case) const {
+    return test_case != NULL && strcmp(test_case->name(), name_.c_str()) == 0;
+  }
+
+ private:
+  std::string name_;
+};
+
+// Finds and returns a TestCase with the given name.  If one doesn't
+// exist, creates one and returns it.  It's the CALLER'S
+// RESPONSIBILITY to ensure that this function is only called WHEN THE
+// TESTS ARE NOT SHUFFLED.
+//
+// Arguments:
+//
+//   test_case_name: name of the test case
+//   type_param:     the name of the test case's type parameter, or NULL if
+//                   this is not a typed or a type-parameterized test case.
+//   set_up_tc:      pointer to the function that sets up the test case
+//   tear_down_tc:   pointer to the function that tears down the test case
+TestCase* UnitTestImpl::GetTestCase(const char* test_case_name,
+                                    const char* type_param,
+                                    Test::SetUpTestCaseFunc set_up_tc,
+                                    Test::TearDownTestCaseFunc tear_down_tc) {
+  // Can we find a TestCase with the given name?
+  const std::vector<TestCase*>::const_iterator test_case =
+      std::find_if(test_cases_.begin(), test_cases_.end(),
+                   TestCaseNameIs(test_case_name));
+
+  if (test_case != test_cases_.end())
+    return *test_case;
+
+  // No.  Let's create one.
+  TestCase* const new_test_case =
+      new TestCase(test_case_name, type_param, set_up_tc, tear_down_tc);
+
+  // Is this a death test case?
+  if (internal::UnitTestOptions::MatchesFilter(test_case_name,
+                                               kDeathTestCaseFilter)) {
+    // Yes.  Inserts the test case after the last death test case
+    // defined so far.  This only works when the test cases haven't
+    // been shuffled.  Otherwise we may end up running a death test
+    // after a non-death test.
+    ++last_death_test_case_;
+    test_cases_.insert(test_cases_.begin() + last_death_test_case_,
+                       new_test_case);
+  } else {
+    // No.  Appends to the end of the list.
+    test_cases_.push_back(new_test_case);
+  }
+
+  test_case_indices_.push_back(static_cast<int>(test_case_indices_.size()));
+  return new_test_case;
+}
+
+// Helpers for setting up / tearing down the given environment.  They
+// are for use in the ForEach() function.
+static void SetUpEnvironment(Environment* env) { env->SetUp(); }
+static void TearDownEnvironment(Environment* env) { env->TearDown(); }
+
+// Runs all tests in this UnitTest object, prints the result, and
+// returns true if all tests are successful.  If any exception is
+// thrown during a test, the test is considered to be failed, but the
+// rest of the tests will still be run.
+//
+// When parameterized tests are enabled, it expands and registers
+// parameterized tests first in RegisterParameterizedTests().
+// All other functions called from RunAllTests() may safely assume that
+// parameterized tests are ready to be counted and run.
+bool UnitTestImpl::RunAllTests() {
+  // Makes sure InitGoogleTest() was called.
+  if (!GTestIsInitialized()) {
+    printf("%s",
+           "\nThis test program did NOT call ::testing::InitGoogleTest "
+           "before calling RUN_ALL_TESTS().  Please fix it.\n");
+    return false;
+  }
+
+  // Do not run any test if the --help flag was specified.
+  if (g_help_flag)
+    return true;
+
+  // Repeats the call to the post-flag parsing initialization in case the
+  // user didn't call InitGoogleTest.
+  PostFlagParsingInit();
+
+  // Even if sharding is not on, test runners may want to use the
+  // GTEST_SHARD_STATUS_FILE to query whether the test supports the sharding
+  // protocol.
+  internal::WriteToShardStatusFileIfNeeded();
+
+  // True iff we are in a subprocess for running a thread-safe-style
+  // death test.
+  bool in_subprocess_for_death_test = false;
+
+#if GTEST_HAS_DEATH_TEST
+  in_subprocess_for_death_test = (internal_run_death_test_flag_.get() != NULL);
+#endif  // GTEST_HAS_DEATH_TEST
+
+  const bool should_shard = ShouldShard(kTestTotalShards, kTestShardIndex,
+                                        in_subprocess_for_death_test);
+
+  // Compares the full test names with the filter to decide which
+  // tests to run.
+  const bool has_tests_to_run = FilterTests(should_shard
+                                              ? HONOR_SHARDING_PROTOCOL
+                                              : IGNORE_SHARDING_PROTOCOL) > 0;
+
+  // Lists the tests and exits if the --gtest_list_tests flag was specified.
+  if (GTEST_FLAG(list_tests)) {
+    // This must be called *after* FilterTests() has been called.
+    ListTestsMatchingFilter();
+    return true;
+  }
+
+  random_seed_ = GTEST_FLAG(shuffle) ?
+      GetRandomSeedFromFlag(GTEST_FLAG(random_seed)) : 0;
+
+  // True iff at least one test has failed.
+  bool failed = false;
+
+  TestEventListener* repeater = listeners()->repeater();
+
+  start_timestamp_ = GetTimeInMillis();
+  repeater->OnTestProgramStart(*parent_);
+
+  // How many times to repeat the tests?  We don't want to repeat them
+  // when we are inside the subprocess of a death test.
+  const int repeat = in_subprocess_for_death_test ? 1 : GTEST_FLAG(repeat);
+  // Repeats forever if the repeat count is negative.
+  const bool forever = repeat < 0;
+  for (int i = 0; forever || i != repeat; i++) {
+    // We want to preserve failures generated by ad-hoc test
+    // assertions executed before RUN_ALL_TESTS().
+    ClearNonAdHocTestResult();
+
+    const TimeInMillis start = GetTimeInMillis();
+
+    // Shuffles test cases and tests if requested.
+    if (has_tests_to_run && GTEST_FLAG(shuffle)) {
+      random()->Reseed(random_seed_);
+      // This should be done before calling OnTestIterationStart(),
+      // such that a test event listener can see the actual test order
+      // in the event.
+      ShuffleTests();
+    }
+
+    // Tells the unit test event listeners that the tests are about to start.
+    repeater->OnTestIterationStart(*parent_, i);
+
+    // Runs each test case if there is at least one test to run.
+    if (has_tests_to_run) {
+      // Sets up all environments beforehand.
+      repeater->OnEnvironmentsSetUpStart(*parent_);
+      ForEach(environments_, SetUpEnvironment);
+      repeater->OnEnvironmentsSetUpEnd(*parent_);
+
+      // Runs the tests only if there was no fatal failure during global
+      // set-up.
+      if (!Test::HasFatalFailure()) {
+        for (int test_index = 0; test_index < total_test_case_count();
+             test_index++) {
+          GetMutableTestCase(test_index)->Run();
+        }
+      }
+
+      // Tears down all environments in reverse order afterwards.
+      repeater->OnEnvironmentsTearDownStart(*parent_);
+      std::for_each(environments_.rbegin(), environments_.rend(),
+                    TearDownEnvironment);
+      repeater->OnEnvironmentsTearDownEnd(*parent_);
+    }
+
+    elapsed_time_ = GetTimeInMillis() - start;
+
+    // Tells the unit test event listener that the tests have just finished.
+    repeater->OnTestIterationEnd(*parent_, i);
+
+    // Gets the result and clears it.
+    if (!Passed()) {
+      failed = true;
+    }
+
+    // Restores the original test order after the iteration.  This
+    // allows the user to quickly repro a failure that happens in the
+    // N-th iteration without repeating the first (N - 1) iterations.
+    // This is not enclosed in "if (GTEST_FLAG(shuffle)) { ... }", in
+    // case the user somehow changes the value of the flag somewhere
+    // (it's always safe to unshuffle the tests).
+    UnshuffleTests();
+
+    if (GTEST_FLAG(shuffle)) {
+      // Picks a new random seed for each iteration.
+      random_seed_ = GetNextRandomSeed(random_seed_);
+    }
+  }
+
+  repeater->OnTestProgramEnd(*parent_);
+
+  return !failed;
+}
+
+// Reads the GTEST_SHARD_STATUS_FILE environment variable, and creates the file
+// if the variable is present. If a file already exists at this location, this
+// function will write over it. If the variable is present, but the file cannot
+// be created, prints an error and exits.
+void WriteToShardStatusFileIfNeeded() {
+  const char* const test_shard_file = posix::GetEnv(kTestShardStatusFile);
+  if (test_shard_file != NULL) {
+    FILE* const file = posix::FOpen(test_shard_file, "w");
+    if (file == NULL) {
+      ColoredPrintf(COLOR_RED,
+                    "Could not write to the test shard status file \"%s\" "
+                    "specified by the %s environment variable.\n",
+                    test_shard_file, kTestShardStatusFile);
+      fflush(stdout);
+      exit(EXIT_FAILURE);
+    }
+    fclose(file);
+  }
+}
+
+// Checks whether sharding is enabled by examining the relevant
+// environment variable values. If the variables are present,
+// but inconsistent (i.e., shard_index >= total_shards), prints
+// an error and exits. If in_subprocess_for_death_test, sharding is
+// disabled because it must only be applied to the original test
+// process. Otherwise, we could filter out death tests we intended to execute.
+bool ShouldShard(const char* total_shards_env,
+                 const char* shard_index_env,
+                 bool in_subprocess_for_death_test) {
+  if (in_subprocess_for_death_test) {
+    return false;
+  }
+
+  const Int32 total_shards = Int32FromEnvOrDie(total_shards_env, -1);
+  const Int32 shard_index = Int32FromEnvOrDie(shard_index_env, -1);
+
+  if (total_shards == -1 && shard_index == -1) {
+    return false;
+  } else if (total_shards == -1 && shard_index != -1) {
+    const Message msg = Message()
+      << "Invalid environment variables: you have "
+      << kTestShardIndex << " = " << shard_index
+      << ", but have left " << kTestTotalShards << " unset.\n";
+    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
+    fflush(stdout);
+    exit(EXIT_FAILURE);
+  } else if (total_shards != -1 && shard_index == -1) {
+    const Message msg = Message()
+      << "Invalid environment variables: you have "
+      << kTestTotalShards << " = " << total_shards
+      << ", but have left " << kTestShardIndex << " unset.\n";
+    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
+    fflush(stdout);
+    exit(EXIT_FAILURE);
+  } else if (shard_index < 0 || shard_index >= total_shards) {
+    const Message msg = Message()
+      << "Invalid environment variables: we require 0 <= "
+      << kTestShardIndex << " < " << kTestTotalShards
+      << ", but you have " << kTestShardIndex << "=" << shard_index
+      << ", " << kTestTotalShards << "=" << total_shards << ".\n";
+    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
+    fflush(stdout);
+    exit(EXIT_FAILURE);
+  }
+
+  return total_shards > 1;
+}
+
+// Parses the environment variable var as an Int32. If it is unset,
+// returns default_val. If it is not an Int32, prints an error
+// and aborts.
+Int32 Int32FromEnvOrDie(const char* var, Int32 default_val) {
+  const char* str_val = posix::GetEnv(var);
+  if (str_val == NULL) {
+    return default_val;
+  }
+
+  Int32 result;
+  if (!ParseInt32(Message() << "The value of environment variable " << var,
+                  str_val, &result)) {
+    exit(EXIT_FAILURE);
+  }
+  return result;
+}
+
+// Given the total number of shards, the shard index, and the test id,
+// returns true iff the test should be run on this shard. The test id is
+// some arbitrary but unique non-negative integer assigned to each test
+// method. Assumes that 0 <= shard_index < total_shards.
+bool ShouldRunTestOnShard(int total_shards, int shard_index, int test_id) {
+  return (test_id % total_shards) == shard_index;
+}
+
+// Compares the name of each test with the user-specified filter to
+// decide whether the test should be run, then records the result in
+// each TestCase and TestInfo object.
+// If shard_tests == true, further filters tests based on sharding
+// variables in the environment - see
+// http://code.google.com/p/googletest/wiki/GoogleTestAdvancedGuide.
+// Returns the number of tests that should run.
+int UnitTestImpl::FilterTests(ReactionToSharding shard_tests) {
+  const Int32 total_shards = shard_tests == HONOR_SHARDING_PROTOCOL ?
+      Int32FromEnvOrDie(kTestTotalShards, -1) : -1;
+  const Int32 shard_index = shard_tests == HONOR_SHARDING_PROTOCOL ?
+      Int32FromEnvOrDie(kTestShardIndex, -1) : -1;
+
+  // num_runnable_tests are the number of tests that will
+  // run across all shards (i.e., match filter and are not disabled).
+  // num_selected_tests are the number of tests to be run on
+  // this shard.
+  int num_runnable_tests = 0;
+  int num_selected_tests = 0;
+  for (size_t i = 0; i < test_cases_.size(); i++) {
+    TestCase* const test_case = test_cases_[i];
+    const std::string &test_case_name = test_case->name();
+    test_case->set_should_run(false);
+
+    for (size_t j = 0; j < test_case->test_info_list().size(); j++) {
+      TestInfo* const test_info = test_case->test_info_list()[j];
+      const std::string test_name(test_info->name());
+      // A test is disabled if test case name or test name matches
+      // kDisableTestFilter.
+      const bool is_disabled =
+          internal::UnitTestOptions::MatchesFilter(test_case_name,
+                                                   kDisableTestFilter) ||
+          internal::UnitTestOptions::MatchesFilter(test_name,
+                                                   kDisableTestFilter);
+      test_info->is_disabled_ = is_disabled;
+
+      const bool matches_filter =
+          internal::UnitTestOptions::FilterMatchesTest(test_case_name,
+                                                       test_name);
+      test_info->matches_filter_ = matches_filter;
+
+      const bool is_runnable =
+          (GTEST_FLAG(also_run_disabled_tests) || !is_disabled) &&
+          matches_filter;
+
+      const bool is_selected = is_runnable &&
+          (shard_tests == IGNORE_SHARDING_PROTOCOL ||
+           ShouldRunTestOnShard(total_shards, shard_index,
+                                num_runnable_tests));
+
+      num_runnable_tests += is_runnable;
+      num_selected_tests += is_selected;
+
+      test_info->should_run_ = is_selected;
+      test_case->set_should_run(test_case->should_run() || is_selected);
+    }
+  }
+  return num_selected_tests;
+}
+
+// Prints the given C-string on a single line by replacing all '\n'
+// characters with string "\\n".  If the output takes more than
+// max_length characters, only prints the first max_length characters
+// and "...".
+static void PrintOnOneLine(const char* str, int max_length) {
+  if (str != NULL) {
+    for (int i = 0; *str != '\0'; ++str) {
+      if (i >= max_length) {
+        printf("...");
+        break;
+      }
+      if (*str == '\n') {
+        printf("\\n");
+        i += 2;
+      } else {
+        printf("%c", *str);
+        ++i;
+      }
+    }
+  }
+}
+
+// Prints the names of the tests matching the user-specified filter flag.
+void UnitTestImpl::ListTestsMatchingFilter() {
+  // Print at most this many characters for each type/value parameter.
+  const int kMaxParamLength = 250;
+
+  for (size_t i = 0; i < test_cases_.size(); i++) {
+    const TestCase* const test_case = test_cases_[i];
+    bool printed_test_case_name = false;
+
+    for (size_t j = 0; j < test_case->test_info_list().size(); j++) {
+      const TestInfo* const test_info =
+          test_case->test_info_list()[j];
+      if (test_info->matches_filter_) {
+        if (!printed_test_case_name) {
+          printed_test_case_name = true;
+          printf("%s.", test_case->name());
+          if (test_case->type_param() != NULL) {
+            printf("  # %s = ", kTypeParamLabel);
+            // We print the type parameter on a single line to make
+            // the output easy to parse by a program.
+            PrintOnOneLine(test_case->type_param(), kMaxParamLength);
+          }
+          printf("\n");
+        }
+        printf("  %s", test_info->name());
+        if (test_info->value_param() != NULL) {
+          printf("  # %s = ", kValueParamLabel);
+          // We print the value parameter on a single line to make the
+          // output easy to parse by a program.
+          PrintOnOneLine(test_info->value_param(), kMaxParamLength);
+        }
+        printf("\n");
+      }
+    }
+  }
+  fflush(stdout);
+}
+
+// Sets the OS stack trace getter.
+//
+// Does nothing if the input and the current OS stack trace getter are
+// the same; otherwise, deletes the old getter and makes the input the
+// current getter.
+void UnitTestImpl::set_os_stack_trace_getter(
+    OsStackTraceGetterInterface* getter) {
+  if (os_stack_trace_getter_ != getter) {
+    delete os_stack_trace_getter_;
+    os_stack_trace_getter_ = getter;
+  }
+}
+
+// Returns the current OS stack trace getter if it is not NULL;
+// otherwise, creates an OsStackTraceGetter, makes it the current
+// getter, and returns it.
+OsStackTraceGetterInterface* UnitTestImpl::os_stack_trace_getter() {
+  if (os_stack_trace_getter_ == NULL) {
+    os_stack_trace_getter_ = new OsStackTraceGetter;
+  }
+
+  return os_stack_trace_getter_;
+}
+
+// Returns the TestResult for the test that's currently running, or
+// the TestResult for the ad hoc test if no test is running.
+TestResult* UnitTestImpl::current_test_result() {
+  return current_test_info_ ?
+      &(current_test_info_->result_) : &ad_hoc_test_result_;
+}
+
+// Shuffles all test cases, and the tests within each test case,
+// making sure that death tests are still run first.
+void UnitTestImpl::ShuffleTests() {
+  // Shuffles the death test cases.
+  ShuffleRange(random(), 0, last_death_test_case_ + 1, &test_case_indices_);
+
+  // Shuffles the non-death test cases.
+  ShuffleRange(random(), last_death_test_case_ + 1,
+               static_cast<int>(test_cases_.size()), &test_case_indices_);
+
+  // Shuffles the tests inside each test case.
+  for (size_t i = 0; i < test_cases_.size(); i++) {
+    test_cases_[i]->ShuffleTests(random());
+  }
+}
+
+// Restores the test cases and tests to their order before the first shuffle.
+void UnitTestImpl::UnshuffleTests() {
+  for (size_t i = 0; i < test_cases_.size(); i++) {
+    // Unshuffles the tests in each test case.
+    test_cases_[i]->UnshuffleTests();
+    // Resets the index of each test case.
+    test_case_indices_[i] = static_cast<int>(i);
+  }
+}
+
+// Returns the current OS stack trace as an std::string.
+//
+// The maximum number of stack frames to be included is specified by
+// the gtest_stack_trace_depth flag.  The skip_count parameter
+// specifies the number of top frames to be skipped, which doesn't
+// count against the number of frames to be included.
+//
+// For example, if Foo() calls Bar(), which in turn calls
+// GetCurrentOsStackTraceExceptTop(..., 1), Foo() will be included in
+// the trace but Bar() and GetCurrentOsStackTraceExceptTop() won't.
+std::string GetCurrentOsStackTraceExceptTop(UnitTest* /*unit_test*/,
+                                            int skip_count) {
+  // We pass skip_count + 1 to skip this wrapper function in addition
+  // to what the user really wants to skip.
+  return GetUnitTestImpl()->CurrentOsStackTraceExceptTop(skip_count + 1);
+}
+
+// Used by the GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_ macro to
+// suppress unreachable code warnings.
+namespace {
+class ClassUniqueToAlwaysTrue {};
+}
+
+bool IsTrue(bool condition) { return condition; }
+
+bool AlwaysTrue() {
+#if GTEST_HAS_EXCEPTIONS
+  // This condition is always false so AlwaysTrue() never actually throws,
+  // but it makes the compiler think that it may throw.
+  if (IsTrue(false))
+    throw ClassUniqueToAlwaysTrue();
+#endif  // GTEST_HAS_EXCEPTIONS
+  return true;
+}
+
+// If *pstr starts with the given prefix, modifies *pstr to be right
+// past the prefix and returns true; otherwise leaves *pstr unchanged
+// and returns false.  None of pstr, *pstr, and prefix can be NULL.
+bool SkipPrefix(const char* prefix, const char** pstr) {
+  const size_t prefix_len = strlen(prefix);
+  if (strncmp(*pstr, prefix, prefix_len) == 0) {
+    *pstr += prefix_len;
+    return true;
+  }
+  return false;
+}
+
+// Parses a string as a command line flag.  The string should have
+// the format "--flag=value".  When def_optional is true, the "=value"
+// part can be omitted.
+//
+// Returns the value of the flag, or NULL if the parsing failed.
+const char* ParseFlagValue(const char* str,
+                           const char* flag,
+                           bool def_optional) {
+  // str and flag must not be NULL.
+  if (str == NULL || flag == NULL) return NULL;
+
+  // The flag must start with "--" followed by GTEST_FLAG_PREFIX_.
+  const std::string flag_str = std::string("--") + GTEST_FLAG_PREFIX_ + flag;
+  const size_t flag_len = flag_str.length();
+  if (strncmp(str, flag_str.c_str(), flag_len) != 0) return NULL;
+
+  // Skips the flag name.
+  const char* flag_end = str + flag_len;
+
+  // When def_optional is true, it's OK to not have a "=value" part.
+  if (def_optional && (flag_end[0] == '\0')) {
+    return flag_end;
+  }
+
+  // If def_optional is true and there are more characters after the
+  // flag name, or if def_optional is false, there must be a '=' after
+  // the flag name.
+  if (flag_end[0] != '=') return NULL;
+
+  // Returns the string after "=".
+  return flag_end + 1;
+}
+
+// Parses a string for a bool flag, in the form of either
+// "--flag=value" or "--flag".
+//
+// In the former case, the value is taken as true as long as it does
+// not start with '0', 'f', or 'F'.
+//
+// In the latter case, the value is taken as true.
+//
+// On success, stores the value of the flag in *value, and returns
+// true.  On failure, returns false without changing *value.
+bool ParseBoolFlag(const char* str, const char* flag, bool* value) {
+  // Gets the value of the flag as a string.
+  const char* const value_str = ParseFlagValue(str, flag, true);
+
+  // Aborts if the parsing failed.
+  if (value_str == NULL) return false;
+
+  // Converts the string value to a bool.
+  *value = !(*value_str == '0' || *value_str == 'f' || *value_str == 'F');
+  return true;
+}
+
+// Parses a string for an Int32 flag, in the form of
+// "--flag=value".
+//
+// On success, stores the value of the flag in *value, and returns
+// true.  On failure, returns false without changing *value.
+bool ParseInt32Flag(const char* str, const char* flag, Int32* value) {
+  // Gets the value of the flag as a string.
+  const char* const value_str = ParseFlagValue(str, flag, false);
+
+  // Aborts if the parsing failed.
+  if (value_str == NULL) return false;
+
+  // Sets *value to the value of the flag.
+  return ParseInt32(Message() << "The value of flag --" << flag,
+                    value_str, value);
+}
+
+// Parses a string for a string flag, in the form of
+// "--flag=value".
+//
+// On success, stores the value of the flag in *value, and returns
+// true.  On failure, returns false without changing *value.
+bool ParseStringFlag(const char* str, const char* flag, std::string* value) {
+  // Gets the value of the flag as a string.
+  const char* const value_str = ParseFlagValue(str, flag, false);
+
+  // Aborts if the parsing failed.
+  if (value_str == NULL) return false;
+
+  // Sets *value to the value of the flag.
+  *value = value_str;
+  return true;
+}
+
+// Determines whether a string has a prefix that Google Test uses for its
+// flags, i.e., starts with GTEST_FLAG_PREFIX_ or GTEST_FLAG_PREFIX_DASH_.
+// If Google Test detects that a command line flag has its prefix but is not
+// recognized, it will print its help message. Flags starting with
+// GTEST_INTERNAL_PREFIX_ followed by "internal_" are considered Google Test
+// internal flags and do not trigger the help message.
+static bool HasGoogleTestFlagPrefix(const char* str) {
+  return (SkipPrefix("--", &str) ||
+          SkipPrefix("-", &str) ||
+          SkipPrefix("/", &str)) &&
+         !SkipPrefix(GTEST_FLAG_PREFIX_ "internal_", &str) &&
+         (SkipPrefix(GTEST_FLAG_PREFIX_, &str) ||
+          SkipPrefix(GTEST_FLAG_PREFIX_DASH_, &str));
+}
+
+// Prints a string containing code-encoded text.  The following escape
+// sequences can be used in the string to control the text color:
+//
+//   @@    prints a single '@' character.
+//   @R    changes the color to red.
+//   @G    changes the color to green.
+//   @Y    changes the color to yellow.
+//   @D    changes to the default terminal text color.
+//
+// TODO(wan@google.com): Write tests for this once we add stdout
+// capturing to Google Test.
+static void PrintColorEncoded(const char* str) {
+  GTestColor color = COLOR_DEFAULT;  // The current color.
+
+  // Conceptually, we split the string into segments divided by escape
+  // sequences.  Then we print one segment at a time.  At the end of
+  // each iteration, the str pointer advances to the beginning of the
+  // next segment.
+  for (;;) {
+    const char* p = strchr(str, '@');
+    if (p == NULL) {
+      ColoredPrintf(color, "%s", str);
+      return;
+    }
+
+    ColoredPrintf(color, "%s", std::string(str, p).c_str());
+
+    const char ch = p[1];
+    str = p + 2;
+    if (ch == '@') {
+      ColoredPrintf(color, "@");
+    } else if (ch == 'D') {
+      color = COLOR_DEFAULT;
+    } else if (ch == 'R') {
+      color = COLOR_RED;
+    } else if (ch == 'G') {
+      color = COLOR_GREEN;
+    } else if (ch == 'Y') {
+      color = COLOR_YELLOW;
+    } else {
+      --str;
+    }
+  }
+}
+
+static const char kColorEncodedHelpMessage[] =
+"This program contains tests written using " GTEST_NAME_ ". You can use the\n"
+"following command line flags to control its behavior:\n"
+"\n"
+"Test Selection:\n"
+"  @G--" GTEST_FLAG_PREFIX_ "list_tests@D\n"
+"      List the names of all tests instead of running them. The name of\n"
+"      TEST(Foo, Bar) is \"Foo.Bar\".\n"
+"  @G--" GTEST_FLAG_PREFIX_ "filter=@YPOSTIVE_PATTERNS"
+    "[@G-@YNEGATIVE_PATTERNS]@D\n"
+"      Run only the tests whose name matches one of the positive patterns but\n"
+"      none of the negative patterns. '?' matches any single character; '*'\n"
+"      matches any substring; ':' separates two patterns.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "also_run_disabled_tests@D\n"
+"      Run all disabled tests too.\n"
+"\n"
+"Test Execution:\n"
+"  @G--" GTEST_FLAG_PREFIX_ "repeat=@Y[COUNT]@D\n"
+"      Run the tests repeatedly; use a negative count to repeat forever.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "shuffle@D\n"
+"      Randomize tests' orders on every iteration.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "random_seed=@Y[NUMBER]@D\n"
+"      Random number seed to use for shuffling test orders (between 1 and\n"
+"      99999, or 0 to use a seed based on the current time).\n"
+"\n"
+"Test Output:\n"
+"  @G--" GTEST_FLAG_PREFIX_ "color=@Y(@Gyes@Y|@Gno@Y|@Gauto@Y)@D\n"
+"      Enable/disable colored output. The default is @Gauto@D.\n"
+"  -@G-" GTEST_FLAG_PREFIX_ "print_time=0@D\n"
+"      Don't print the elapsed time of each test.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "output=xml@Y[@G:@YDIRECTORY_PATH@G"
+    GTEST_PATH_SEP_ "@Y|@G:@YFILE_PATH]@D\n"
+"      Generate an XML report in the given directory or with the given file\n"
+"      name. @YFILE_PATH@D defaults to @Gtest_details.xml@D.\n"
+#if GTEST_CAN_STREAM_RESULTS_
+"  @G--" GTEST_FLAG_PREFIX_ "stream_result_to=@YHOST@G:@YPORT@D\n"
+"      Stream test results to the given server.\n"
+#endif  // GTEST_CAN_STREAM_RESULTS_
+"\n"
+"Assertion Behavior:\n"
+#if GTEST_HAS_DEATH_TEST && !GTEST_OS_WINDOWS
+"  @G--" GTEST_FLAG_PREFIX_ "death_test_style=@Y(@Gfast@Y|@Gthreadsafe@Y)@D\n"
+"      Set the default death test style.\n"
+#endif  // GTEST_HAS_DEATH_TEST && !GTEST_OS_WINDOWS
+"  @G--" GTEST_FLAG_PREFIX_ "break_on_failure@D\n"
+"      Turn assertion failures into debugger break-points.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "throw_on_failure@D\n"
+"      Turn assertion failures into C++ exceptions.\n"
+"  @G--" GTEST_FLAG_PREFIX_ "catch_exceptions=0@D\n"
+"      Do not report exceptions as test failures. Instead, allow them\n"
+"      to crash the program or throw a pop-up (on Windows).\n"
+"\n"
+"Except for @G--" GTEST_FLAG_PREFIX_ "list_tests@D, you can alternatively set "
+    "the corresponding\n"
+"environment variable of a flag (all letters in upper-case). For example, to\n"
+"disable colored text output, you can either specify @G--" GTEST_FLAG_PREFIX_
+    "color=no@D or set\n"
+"the @G" GTEST_FLAG_PREFIX_UPPER_ "COLOR@D environment variable to @Gno@D.\n"
+"\n"
+"For more information, please read the " GTEST_NAME_ " documentation at\n"
+"@G" GTEST_PROJECT_URL_ "@D. If you find a bug in " GTEST_NAME_ "\n"
+"(not one in your own code or tests), please report it to\n"
+"@G<" GTEST_DEV_EMAIL_ ">@D.\n";
+
+// Parses the command line for Google Test flags, without initializing
+// other parts of Google Test.  The type parameter CharType can be
+// instantiated to either char or wchar_t.
+template <typename CharType>
+void ParseGoogleTestFlagsOnlyImpl(int* argc, CharType** argv) {
+  for (int i = 1; i < *argc; i++) {
+    const std::string arg_string = StreamableToString(argv[i]);
+    const char* const arg = arg_string.c_str();
+
+    using internal::ParseBoolFlag;
+    using internal::ParseInt32Flag;
+    using internal::ParseStringFlag;
+
+    // Do we see a Google Test flag?
+    if (ParseBoolFlag(arg, kAlsoRunDisabledTestsFlag,
+                      &GTEST_FLAG(also_run_disabled_tests)) ||
+        ParseBoolFlag(arg, kBreakOnFailureFlag,
+                      &GTEST_FLAG(break_on_failure)) ||
+        ParseBoolFlag(arg, kCatchExceptionsFlag,
+                      &GTEST_FLAG(catch_exceptions)) ||
+        ParseStringFlag(arg, kColorFlag, &GTEST_FLAG(color)) ||
+        ParseStringFlag(arg, kDeathTestStyleFlag,
+                        &GTEST_FLAG(death_test_style)) ||
+        ParseBoolFlag(arg, kDeathTestUseFork,
+                      &GTEST_FLAG(death_test_use_fork)) ||
+        ParseStringFlag(arg, kFilterFlag, &GTEST_FLAG(filter)) ||
+        ParseStringFlag(arg, kInternalRunDeathTestFlag,
+                        &GTEST_FLAG(internal_run_death_test)) ||
+        ParseBoolFlag(arg, kListTestsFlag, &GTEST_FLAG(list_tests)) ||
+        ParseStringFlag(arg, kOutputFlag, &GTEST_FLAG(output)) ||
+        ParseBoolFlag(arg, kPrintTimeFlag, &GTEST_FLAG(print_time)) ||
+        ParseInt32Flag(arg, kRandomSeedFlag, &GTEST_FLAG(random_seed)) ||
+        ParseInt32Flag(arg, kRepeatFlag, &GTEST_FLAG(repeat)) ||
+        ParseBoolFlag(arg, kShuffleFlag, &GTEST_FLAG(shuffle)) ||
+        ParseInt32Flag(arg, kStackTraceDepthFlag,
+                       &GTEST_FLAG(stack_trace_depth)) ||
+        ParseStringFlag(arg, kStreamResultToFlag,
+                        &GTEST_FLAG(stream_result_to)) ||
+        ParseBoolFlag(arg, kThrowOnFailureFlag,
+                      &GTEST_FLAG(throw_on_failure))
+        ) {
+      // Yes.  Shift the remainder of the argv list left by one.  Note
+      // that argv has (*argc + 1) elements, the last one always being
+      // NULL.  The following loop moves the trailing NULL element as
+      // well.
+      for (int j = i; j != *argc; j++) {
+        argv[j] = argv[j + 1];
+      }
+
+      // Decrements the argument count.
+      (*argc)--;
+
+      // We also need to decrement the iterator as we just removed
+      // an element.
+      i--;
+    } else if (arg_string == "--help" || arg_string == "-h" ||
+               arg_string == "-?" || arg_string == "/?" ||
+               HasGoogleTestFlagPrefix(arg)) {
+      // Both help flag and unrecognized Google Test flags (excluding
+      // internal ones) trigger help display.
+      g_help_flag = true;
+    }
+  }
+
+  if (g_help_flag) {
+    // We print the help here instead of in RUN_ALL_TESTS(), as the
+    // latter may not be called at all if the user is using Google
+    // Test with another testing framework.
+    PrintColorEncoded(kColorEncodedHelpMessage);
+  }
+}
+
+// Parses the command line for Google Test flags, without initializing
+// other parts of Google Test.
+void ParseGoogleTestFlagsOnly(int* argc, char** argv) {
+  ParseGoogleTestFlagsOnlyImpl(argc, argv);
+}
+void ParseGoogleTestFlagsOnly(int* argc, wchar_t** argv) {
+  ParseGoogleTestFlagsOnlyImpl(argc, argv);
+}
+
+// The internal implementation of InitGoogleTest().
+//
+// The type parameter CharType can be instantiated to either char or
+// wchar_t.
+template <typename CharType>
+void InitGoogleTestImpl(int* argc, CharType** argv) {
+  g_init_gtest_count++;
+
+  // We don't want to run the initialization code twice.
+  if (g_init_gtest_count != 1) return;
+
+  if (*argc <= 0) return;
+
+  internal::g_executable_path = internal::StreamableToString(argv[0]);
+
+#if GTEST_HAS_DEATH_TEST
+
+  g_argvs.clear();
+  for (int i = 0; i != *argc; i++) {
+    g_argvs.push_back(StreamableToString(argv[i]));
+  }
+
+#endif  // GTEST_HAS_DEATH_TEST
+
+  ParseGoogleTestFlagsOnly(argc, argv);
+  GetUnitTestImpl()->PostFlagParsingInit();
+}
+
+}  // namespace internal
+
+// Initializes Google Test.  This must be called before calling
+// RUN_ALL_TESTS().  In particular, it parses a command line for the
+// flags that Google Test recognizes.  Whenever a Google Test flag is
+// seen, it is removed from argv, and *argc is decremented.
+//
+// No value is returned.  Instead, the Google Test flag variables are
+// updated.
+//
+// Calling the function for the second time has no user-visible effect.
+void InitGoogleTest(int* argc, char** argv) {
+  internal::InitGoogleTestImpl(argc, argv);
+}
+
+// This overloaded version can be used in Windows programs compiled in
+// UNICODE mode.
+void InitGoogleTest(int* argc, wchar_t** argv) {
+  internal::InitGoogleTestImpl(argc, argv);
+}
+
+}  // namespace testing
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan), vladl@google.com (Vlad Losev)
+//
+// This file implements death tests.
+
+
+#if GTEST_HAS_DEATH_TEST
+
+# if GTEST_OS_MAC
+#  include <crt_externs.h>
+# endif  // GTEST_OS_MAC
+
+# include <errno.h>
+# include <fcntl.h>
+# include <limits.h>
+
+# if GTEST_OS_LINUX
+#  include <signal.h>
+# endif  // GTEST_OS_LINUX
+
+# include <stdarg.h>
+
+# if GTEST_OS_WINDOWS
+#  include <windows.h>
+# else
+#  include <sys/mman.h>
+#  include <sys/wait.h>
+# endif  // GTEST_OS_WINDOWS
+
+# if GTEST_OS_QNX
+#  include <spawn.h>
+# endif  // GTEST_OS_QNX
+
+#endif  // GTEST_HAS_DEATH_TEST
+
+
+// Indicates that this translation unit is part of Google Test's
+// implementation.  It must come before gtest-internal-inl.h is
+// included, or there will be a compiler error.  This trick is to
+// prevent a user from accidentally including gtest-internal-inl.h in
+// his code.
+#define GTEST_IMPLEMENTATION_ 1
+#undef GTEST_IMPLEMENTATION_
+
+namespace testing {
+
+// Constants.
+
+// The default death test style.
+static const char kDefaultDeathTestStyle[] = "fast";
+
+GTEST_DEFINE_string_(
+    death_test_style,
+    internal::StringFromGTestEnv("death_test_style", kDefaultDeathTestStyle),
+    "Indicates how to run a death test in a forked child process: "
+    "\"threadsafe\" (child process re-executes the test binary "
+    "from the beginning, running only the specific death test) or "
+    "\"fast\" (child process runs the death test immediately "
+    "after forking).");
+
+GTEST_DEFINE_bool_(
+    death_test_use_fork,
+    internal::BoolFromGTestEnv("death_test_use_fork", false),
+    "Instructs to use fork()/_exit() instead of clone() in death tests. "
+    "Ignored and always uses fork() on POSIX systems where clone() is not "
+    "implemented. Useful when running under valgrind or similar tools if "
+    "those do not support clone(). Valgrind 3.3.1 will just fail if "
+    "it sees an unsupported combination of clone() flags. "
+    "It is not recommended to use this flag w/o valgrind though it will "
+    "work in 99% of the cases. Once valgrind is fixed, this flag will "
+    "most likely be removed.");
+
+namespace internal {
+GTEST_DEFINE_string_(
+    internal_run_death_test, "",
+    "Indicates the file, line number, temporal index of "
+    "the single death test to run, and a file descriptor to "
+    "which a success code may be sent, all separated by "
+    "the '|' characters.  This flag is specified if and only if the current "
+    "process is a sub-process launched for running a thread-safe "
+    "death test.  FOR INTERNAL USE ONLY.");
+}  // namespace internal
+
+#if GTEST_HAS_DEATH_TEST
+
+namespace internal {
+
+// Valid only for fast death tests. Indicates the code is running in the
+// child process of a fast style death test.
+static bool g_in_fast_death_test_child = false;
+
+// Returns a Boolean value indicating whether the caller is currently
+// executing in the context of the death test child process.  Tools such as
+// Valgrind heap checkers may need this to modify their behavior in death
+// tests.  IMPORTANT: This is an internal utility.  Using it may break the
+// implementation of death tests.  User code MUST NOT use it.
+bool InDeathTestChild() {
+# if GTEST_OS_WINDOWS
+
+  // On Windows, death tests are thread-safe regardless of the value of the
+  // death_test_style flag.
+  return !GTEST_FLAG(internal_run_death_test).empty();
+
+# else
+
+  if (GTEST_FLAG(death_test_style) == "threadsafe")
+    return !GTEST_FLAG(internal_run_death_test).empty();
+  else
+    return g_in_fast_death_test_child;
+#endif
+}
+
+}  // namespace internal
+
+// ExitedWithCode constructor.
+ExitedWithCode::ExitedWithCode(int exit_code) : exit_code_(exit_code) {
+}
+
+// ExitedWithCode function-call operator.
+bool ExitedWithCode::operator()(int exit_status) const {
+# if GTEST_OS_WINDOWS
+
+  return exit_status == exit_code_;
+
+# else
+
+  return WIFEXITED(exit_status) && WEXITSTATUS(exit_status) == exit_code_;
+
+# endif  // GTEST_OS_WINDOWS
+}
+
+# if !GTEST_OS_WINDOWS
+// KilledBySignal constructor.
+KilledBySignal::KilledBySignal(int signum) : signum_(signum) {
+}
+
+// KilledBySignal function-call operator.
+bool KilledBySignal::operator()(int exit_status) const {
+  return WIFSIGNALED(exit_status) && WTERMSIG(exit_status) == signum_;
+}
+# endif  // !GTEST_OS_WINDOWS
+
+namespace internal {
+
+// Utilities needed for death tests.
+
+// Generates a textual description of a given exit code, in the format
+// specified by wait(2).
+static std::string ExitSummary(int exit_code) {
+  Message m;
+
+# if GTEST_OS_WINDOWS
+
+  m << "Exited with exit status " << exit_code;
+
+# else
+
+  if (WIFEXITED(exit_code)) {
+    m << "Exited with exit status " << WEXITSTATUS(exit_code);
+  } else if (WIFSIGNALED(exit_code)) {
+    m << "Terminated by signal " << WTERMSIG(exit_code);
+  }
+#  ifdef WCOREDUMP
+  if (WCOREDUMP(exit_code)) {
+    m << " (core dumped)";
+  }
+#  endif
+# endif  // GTEST_OS_WINDOWS
+
+  return m.GetString();
+}
+
+// Returns true if exit_status describes a process that was terminated
+// by a signal, or exited normally with a nonzero exit code.
+bool ExitedUnsuccessfully(int exit_status) {
+  return !ExitedWithCode(0)(exit_status);
+}
+
+# if !GTEST_OS_WINDOWS
+// Generates a textual failure message when a death test finds more than
+// one thread running, or cannot determine the number of threads, prior
+// to executing the given statement.  It is the responsibility of the
+// caller not to pass a thread_count of 1.
+static std::string DeathTestThreadWarning(size_t thread_count) {
+  Message msg;
+  msg << "Death tests use fork(), which is unsafe particularly"
+      << " in a threaded context. For this test, " << GTEST_NAME_ << " ";
+  if (thread_count == 0)
+    msg << "couldn't detect the number of threads.";
+  else
+    msg << "detected " << thread_count << " threads.";
+  return msg.GetString();
+}
+# endif  // !GTEST_OS_WINDOWS
+
+// Flag characters for reporting a death test that did not die.
+static const char kDeathTestLived = 'L';
+static const char kDeathTestReturned = 'R';
+static const char kDeathTestThrew = 'T';
+static const char kDeathTestInternalError = 'I';
+
+// An enumeration describing all of the possible ways that a death test can
+// conclude.  DIED means that the process died while executing the test
+// code; LIVED means that process lived beyond the end of the test code;
+// RETURNED means that the test statement attempted to execute a return
+// statement, which is not allowed; THREW means that the test statement
+// returned control by throwing an exception.  IN_PROGRESS means the test
+// has not yet concluded.
+// TODO(vladl@google.com): Unify names and possibly values for
+// AbortReason, DeathTestOutcome, and flag characters above.
+enum DeathTestOutcome { IN_PROGRESS, DIED, LIVED, RETURNED, THREW };
+
+// Routine for aborting the program which is safe to call from an
+// exec-style death test child process, in which case the error
+// message is propagated back to the parent process.  Otherwise, the
+// message is simply printed to stderr.  In either case, the program
+// then exits with status 1.
+void DeathTestAbort(const std::string& message) {
+  // On a POSIX system, this function may be called from a threadsafe-style
+  // death test child process, which operates on a very small stack.  Use
+  // the heap for any additional non-minuscule memory requirements.
+  const InternalRunDeathTestFlag* const flag =
+      GetUnitTestImpl()->internal_run_death_test_flag();
+  if (flag != NULL) {
+    FILE* parent = posix::FDOpen(flag->write_fd(), "w");
+    fputc(kDeathTestInternalError, parent);
+    fprintf(parent, "%s", message.c_str());
+    fflush(parent);
+    _exit(1);
+  } else {
+    fprintf(stderr, "%s", message.c_str());
+    fflush(stderr);
+    posix::Abort();
+  }
+}
+
+// A replacement for CHECK that calls DeathTestAbort if the assertion
+// fails.
+# define GTEST_DEATH_TEST_CHECK_(expression) \
+  do { \
+    if (!::testing::internal::IsTrue(expression)) { \
+      DeathTestAbort( \
+          ::std::string("CHECK failed: File ") + __FILE__ +  ", line " \
+          + ::testing::internal::StreamableToString(__LINE__) + ": " \
+          + #expression); \
+    } \
+  } while (::testing::internal::AlwaysFalse())
+
+// This macro is similar to GTEST_DEATH_TEST_CHECK_, but it is meant for
+// evaluating any system call that fulfills two conditions: it must return
+// -1 on failure, and set errno to EINTR when it is interrupted and
+// should be tried again.  The macro expands to a loop that repeatedly
+// evaluates the expression as long as it evaluates to -1 and sets
+// errno to EINTR.  If the expression evaluates to -1 but errno is
+// something other than EINTR, DeathTestAbort is called.
+# define GTEST_DEATH_TEST_CHECK_SYSCALL_(expression) \
+  do { \
+    int gtest_retval; \
+    do { \
+      gtest_retval = (expression); \
+    } while (gtest_retval == -1 && errno == EINTR); \
+    if (gtest_retval == -1) { \
+      DeathTestAbort( \
+          ::std::string("CHECK failed: File ") + __FILE__ + ", line " \
+          + ::testing::internal::StreamableToString(__LINE__) + ": " \
+          + #expression + " != -1"); \
+    } \
+  } while (::testing::internal::AlwaysFalse())
+
+// Returns the message describing the last system error in errno.
+std::string GetLastErrnoDescription() {
+    return errno == 0 ? "" : posix::StrError(errno);
+}
+
+// This is called from a death test parent process to read a failure
+// message from the death test child process and log it with the FATAL
+// severity. On Windows, the message is read from a pipe handle. On other
+// platforms, it is read from a file descriptor.
+static void FailFromInternalError(int fd) {
+  Message error;
+  char buffer[256];
+  int num_read;
+
+  do {
+    while ((num_read = posix::Read(fd, buffer, 255)) > 0) {
+      buffer[num_read] = '\0';
+      error << buffer;
+    }
+  } while (num_read == -1 && errno == EINTR);
+
+  if (num_read == 0) {
+    GTEST_LOG_(FATAL) << error.GetString();
+  } else {
+    const int last_error = errno;
+    GTEST_LOG_(FATAL) << "Error while reading death test internal: "
+                      << GetLastErrnoDescription() << " [" << last_error << "]";
+  }
+}
+
+// Death test constructor.  Increments the running death test count
+// for the current test.
+DeathTest::DeathTest() {
+  TestInfo* const info = GetUnitTestImpl()->current_test_info();
+  if (info == NULL) {
+    DeathTestAbort("Cannot run a death test outside of a TEST or "
+                   "TEST_F construct");
+  }
+}
+
+// Creates and returns a death test by dispatching to the current
+// death test factory.
+bool DeathTest::Create(const char* statement, const RE* regex,
+                       const char* file, int line, DeathTest** test) {
+  return GetUnitTestImpl()->death_test_factory()->Create(
+      statement, regex, file, line, test);
+}
+
+const char* DeathTest::LastMessage() {
+  return last_death_test_message_.c_str();
+}
+
+void DeathTest::set_last_death_test_message(const std::string& message) {
+  last_death_test_message_ = message;
+}
+
+std::string DeathTest::last_death_test_message_;
+
+// Provides cross platform implementation for some death functionality.
+class DeathTestImpl : public DeathTest {
+ protected:
+  DeathTestImpl(const char* a_statement, const RE* a_regex)
+      : statement_(a_statement),
+        regex_(a_regex),
+        spawned_(false),
+        status_(-1),
+        outcome_(IN_PROGRESS),
+        read_fd_(-1),
+        write_fd_(-1) {}
+
+  // read_fd_ is expected to be closed and cleared by a derived class.
+  ~DeathTestImpl() { GTEST_DEATH_TEST_CHECK_(read_fd_ == -1); }
+
+  void Abort(AbortReason reason);
+  virtual bool Passed(bool status_ok);
+
+  const char* statement() const { return statement_; }
+  const RE* regex() const { return regex_; }
+  bool spawned() const { return spawned_; }
+  void set_spawned(bool is_spawned) { spawned_ = is_spawned; }
+  int status() const { return status_; }
+  void set_status(int a_status) { status_ = a_status; }
+  DeathTestOutcome outcome() const { return outcome_; }
+  void set_outcome(DeathTestOutcome an_outcome) { outcome_ = an_outcome; }
+  int read_fd() const { return read_fd_; }
+  void set_read_fd(int fd) { read_fd_ = fd; }
+  int write_fd() const { return write_fd_; }
+  void set_write_fd(int fd) { write_fd_ = fd; }
+
+  // Called in the parent process only. Reads the result code of the death
+  // test child process via a pipe, interprets it to set the outcome_
+  // member, and closes read_fd_.  Outputs diagnostics and terminates in
+  // case of unexpected codes.
+  void ReadAndInterpretStatusByte();
+
+ private:
+  // The textual content of the code this object is testing.  This class
+  // doesn't own this string and should not attempt to delete it.
+  const char* const statement_;
+  // The regular expression which test output must match.  DeathTestImpl
+  // doesn't own this object and should not attempt to delete it.
+  const RE* const regex_;
+  // True if the death test child process has been successfully spawned.
+  bool spawned_;
+  // The exit status of the child process.
+  int status_;
+  // How the death test concluded.
+  DeathTestOutcome outcome_;
+  // Descriptor to the read end of the pipe to the child process.  It is
+  // always -1 in the child process.  The child keeps its write end of the
+  // pipe in write_fd_.
+  int read_fd_;
+  // Descriptor to the child's write end of the pipe to the parent process.
+  // It is always -1 in the parent process.  The parent keeps its end of the
+  // pipe in read_fd_.
+  int write_fd_;
+};
+
+// Called in the parent process only. Reads the result code of the death
+// test child process via a pipe, interprets it to set the outcome_
+// member, and closes read_fd_.  Outputs diagnostics and terminates in
+// case of unexpected codes.
+void DeathTestImpl::ReadAndInterpretStatusByte() {
+  char flag;
+  int bytes_read;
+
+  // The read() here blocks until data is available (signifying the
+  // failure of the death test) or until the pipe is closed (signifying
+  // its success), so it's okay to call this in the parent before
+  // the child process has exited.
+  do {
+    bytes_read = posix::Read(read_fd(), &flag, 1);
+  } while (bytes_read == -1 && errno == EINTR);
+
+  if (bytes_read == 0) {
+    set_outcome(DIED);
+  } else if (bytes_read == 1) {
+    switch (flag) {
+      case kDeathTestReturned:
+        set_outcome(RETURNED);
+        break;
+      case kDeathTestThrew:
+        set_outcome(THREW);
+        break;
+      case kDeathTestLived:
+        set_outcome(LIVED);
+        break;
+      case kDeathTestInternalError:
+        FailFromInternalError(read_fd());  // Does not return.
+        break;
+      default:
+        GTEST_LOG_(FATAL) << "Death test child process reported "
+                          << "unexpected status byte ("
+                          << static_cast<unsigned int>(flag) << ")";
+    }
+  } else {
+    GTEST_LOG_(FATAL) << "Read from death test child process failed: "
+                      << GetLastErrnoDescription();
+  }
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(posix::Close(read_fd()));
+  set_read_fd(-1);
+}
+
+// Signals that the death test code which should have exited, didn't.
+// Should be called only in a death test child process.
+// Writes a status byte to the child's status file descriptor, then
+// calls _exit(1).
+void DeathTestImpl::Abort(AbortReason reason) {
+  // The parent process considers the death test to be a failure if
+  // it finds any data in our pipe.  So, here we write a single flag byte
+  // to the pipe, then exit.
+  const char status_ch =
+      reason == TEST_DID_NOT_DIE ? kDeathTestLived :
+      reason == TEST_THREW_EXCEPTION ? kDeathTestThrew : kDeathTestReturned;
+
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(posix::Write(write_fd(), &status_ch, 1));
+  // We are leaking the descriptor here because on some platforms (i.e.,
+  // when built as Windows DLL), destructors of global objects will still
+  // run after calling _exit(). On such systems, write_fd_ will be
+  // indirectly closed from the destructor of UnitTestImpl, causing double
+  // close if it is also closed here. On debug configurations, double close
+  // may assert. As there are no in-process buffers to flush here, we are
+  // relying on the OS to close the descriptor after the process terminates
+  // when the destructors are not run.
+  _exit(1);  // Exits w/o any normal exit hooks (we were supposed to crash)
+}
+
+// Returns an indented copy of stderr output for a death test.
+// This makes distinguishing death test output lines from regular log lines
+// much easier.
+static ::std::string FormatDeathTestOutput(const ::std::string& output) {
+  ::std::string ret;
+  for (size_t at = 0; ; ) {
+    const size_t line_end = output.find('\n', at);
+    ret += "[  DEATH   ] ";
+    if (line_end == ::std::string::npos) {
+      ret += output.substr(at);
+      break;
+    }
+    ret += output.substr(at, line_end + 1 - at);
+    at = line_end + 1;
+  }
+  return ret;
+}
+
+// Assesses the success or failure of a death test, using both private
+// members which have previously been set, and one argument:
+//
+// Private data members:
+//   outcome:  An enumeration describing how the death test
+//             concluded: DIED, LIVED, THREW, or RETURNED.  The death test
+//             fails in the latter three cases.
+//   status:   The exit status of the child process. On *nix, it is in the
+//             in the format specified by wait(2). On Windows, this is the
+//             value supplied to the ExitProcess() API or a numeric code
+//             of the exception that terminated the program.
+//   regex:    A regular expression object to be applied to
+//             the test's captured standard error output; the death test
+//             fails if it does not match.
+//
+// Argument:
+//   status_ok: true if exit_status is acceptable in the context of
+//              this particular death test, which fails if it is false
+//
+// Returns true iff all of the above conditions are met.  Otherwise, the
+// first failing condition, in the order given above, is the one that is
+// reported. Also sets the last death test message string.
+bool DeathTestImpl::Passed(bool status_ok) {
+  if (!spawned())
+    return false;
+
+  const std::string error_message = GetCapturedStderr();
+
+  bool success = false;
+  Message buffer;
+
+  buffer << "Death test: " << statement() << "\n";
+  switch (outcome()) {
+    case LIVED:
+      buffer << "    Result: failed to die.\n"
+             << " Error msg:\n" << FormatDeathTestOutput(error_message);
+      break;
+    case THREW:
+      buffer << "    Result: threw an exception.\n"
+             << " Error msg:\n" << FormatDeathTestOutput(error_message);
+      break;
+    case RETURNED:
+      buffer << "    Result: illegal return in test statement.\n"
+             << " Error msg:\n" << FormatDeathTestOutput(error_message);
+      break;
+    case DIED:
+      if (status_ok) {
+        const bool matched = RE::PartialMatch(error_message.c_str(), *regex());
+        if (matched) {
+          success = true;
+        } else {
+          buffer << "    Result: died but not with expected error.\n"
+                 << "  Expected: " << regex()->pattern() << "\n"
+                 << "Actual msg:\n" << FormatDeathTestOutput(error_message);
+        }
+      } else {
+        buffer << "    Result: died but not with expected exit code:\n"
+               << "            " << ExitSummary(status()) << "\n"
+               << "Actual msg:\n" << FormatDeathTestOutput(error_message);
+      }
+      break;
+    case IN_PROGRESS:
+    default:
+      GTEST_LOG_(FATAL)
+          << "DeathTest::Passed somehow called before conclusion of test";
+  }
+
+  DeathTest::set_last_death_test_message(buffer.GetString());
+  return success;
+}
+
+# if GTEST_OS_WINDOWS
+// WindowsDeathTest implements death tests on Windows. Due to the
+// specifics of starting new processes on Windows, death tests there are
+// always threadsafe, and Google Test considers the
+// --gtest_death_test_style=fast setting to be equivalent to
+// --gtest_death_test_style=threadsafe there.
+//
+// A few implementation notes:  Like the Linux version, the Windows
+// implementation uses pipes for child-to-parent communication. But due to
+// the specifics of pipes on Windows, some extra steps are required:
+//
+// 1. The parent creates a communication pipe and stores handles to both
+//    ends of it.
+// 2. The parent starts the child and provides it with the information
+//    necessary to acquire the handle to the write end of the pipe.
+// 3. The child acquires the write end of the pipe and signals the parent
+//    using a Windows event.
+// 4. Now the parent can release the write end of the pipe on its side. If
+//    this is done before step 3, the object's reference count goes down to
+//    0 and it is destroyed, preventing the child from acquiring it. The
+//    parent now has to release it, or read operations on the read end of
+//    the pipe will not return when the child terminates.
+// 5. The parent reads child's output through the pipe (outcome code and
+//    any possible error messages) from the pipe, and its stderr and then
+//    determines whether to fail the test.
+//
+// Note: to distinguish Win32 API calls from the local method and function
+// calls, the former are explicitly resolved in the global namespace.
+//
+class WindowsDeathTest : public DeathTestImpl {
+ public:
+  WindowsDeathTest(const char* a_statement,
+                   const RE* a_regex,
+                   const char* file,
+                   int line)
+      : DeathTestImpl(a_statement, a_regex), file_(file), line_(line) {}
+
+  // All of these virtual functions are inherited from DeathTest.
+  virtual int Wait();
+  virtual TestRole AssumeRole();
+
+ private:
+  // The name of the file in which the death test is located.
+  const char* const file_;
+  // The line number on which the death test is located.
+  const int line_;
+  // Handle to the write end of the pipe to the child process.
+  AutoHandle write_handle_;
+  // Child process handle.
+  AutoHandle child_handle_;
+  // Event the child process uses to signal the parent that it has
+  // acquired the handle to the write end of the pipe. After seeing this
+  // event the parent can release its own handles to make sure its
+  // ReadFile() calls return when the child terminates.
+  AutoHandle event_handle_;
+};
+
+// Waits for the child in a death test to exit, returning its exit
+// status, or 0 if no child process exists.  As a side effect, sets the
+// outcome data member.
+int WindowsDeathTest::Wait() {
+  if (!spawned())
+    return 0;
+
+  // Wait until the child either signals that it has acquired the write end
+  // of the pipe or it dies.
+  const HANDLE wait_handles[2] = { child_handle_.Get(), event_handle_.Get() };
+  switch (::WaitForMultipleObjects(2,
+                                   wait_handles,
+                                   FALSE,  // Waits for any of the handles.
+                                   INFINITE)) {
+    case WAIT_OBJECT_0:
+    case WAIT_OBJECT_0 + 1:
+      break;
+    default:
+      GTEST_DEATH_TEST_CHECK_(false);  // Should not get here.
+  }
+
+  // The child has acquired the write end of the pipe or exited.
+  // We release the handle on our side and continue.
+  write_handle_.Reset();
+  event_handle_.Reset();
+
+  ReadAndInterpretStatusByte();
+
+  // Waits for the child process to exit if it haven't already. This
+  // returns immediately if the child has already exited, regardless of
+  // whether previous calls to WaitForMultipleObjects synchronized on this
+  // handle or not.
+  GTEST_DEATH_TEST_CHECK_(
+      WAIT_OBJECT_0 == ::WaitForSingleObject(child_handle_.Get(),
+                                             INFINITE));
+  DWORD status_code;
+  GTEST_DEATH_TEST_CHECK_(
+      ::GetExitCodeProcess(child_handle_.Get(), &status_code) != FALSE);
+  child_handle_.Reset();
+  set_status(static_cast<int>(status_code));
+  return status();
+}
+
+// The AssumeRole process for a Windows death test.  It creates a child
+// process with the same executable as the current process to run the
+// death test.  The child process is given the --gtest_filter and
+// --gtest_internal_run_death_test flags such that it knows to run the
+// current death test only.
+DeathTest::TestRole WindowsDeathTest::AssumeRole() {
+  const UnitTestImpl* const impl = GetUnitTestImpl();
+  const InternalRunDeathTestFlag* const flag =
+      impl->internal_run_death_test_flag();
+  const TestInfo* const info = impl->current_test_info();
+  const int death_test_index = info->result()->death_test_count();
+
+  if (flag != NULL) {
+    // ParseInternalRunDeathTestFlag() has performed all the necessary
+    // processing.
+    set_write_fd(flag->write_fd());
+    return EXECUTE_TEST;
+  }
+
+  // WindowsDeathTest uses an anonymous pipe to communicate results of
+  // a death test.
+  SECURITY_ATTRIBUTES handles_are_inheritable = {
+    sizeof(SECURITY_ATTRIBUTES), NULL, TRUE };
+  HANDLE read_handle, write_handle;
+  GTEST_DEATH_TEST_CHECK_(
+      ::CreatePipe(&read_handle, &write_handle, &handles_are_inheritable,
+                   0)  // Default buffer size.
+      != FALSE);
+  set_read_fd(::_open_osfhandle(reinterpret_cast<intptr_t>(read_handle),
+                                O_RDONLY));
+  write_handle_.Reset(write_handle);
+  event_handle_.Reset(::CreateEvent(
+      &handles_are_inheritable,
+      TRUE,    // The event will automatically reset to non-signaled state.
+      FALSE,   // The initial state is non-signalled.
+      NULL));  // The even is unnamed.
+  GTEST_DEATH_TEST_CHECK_(event_handle_.Get() != NULL);
+  const std::string filter_flag =
+      std::string("--") + GTEST_FLAG_PREFIX_ + kFilterFlag + "=" +
+      info->test_case_name() + "." + info->name();
+  const std::string internal_flag =
+      std::string("--") + GTEST_FLAG_PREFIX_ + kInternalRunDeathTestFlag +
+      "=" + file_ + "|" + StreamableToString(line_) + "|" +
+      StreamableToString(death_test_index) + "|" +
+      StreamableToString(static_cast<unsigned int>(::GetCurrentProcessId())) +
+      // size_t has the same width as pointers on both 32-bit and 64-bit
+      // Windows platforms.
+      // See http://msdn.microsoft.com/en-us/library/tcxf1dw6.aspx.
+      "|" + StreamableToString(reinterpret_cast<size_t>(write_handle)) +
+      "|" + StreamableToString(reinterpret_cast<size_t>(event_handle_.Get()));
+
+  char executable_path[_MAX_PATH + 1];  // NOLINT
+  GTEST_DEATH_TEST_CHECK_(
+      _MAX_PATH + 1 != ::GetModuleFileNameA(NULL,
+                                            executable_path,
+                                            _MAX_PATH));
+
+  std::string command_line =
+      std::string(::GetCommandLineA()) + " " + filter_flag + " \"" +
+      internal_flag + "\"";
+
+  DeathTest::set_last_death_test_message("");
+
+  CaptureStderr();
+  // Flush the log buffers since the log streams are shared with the child.
+  FlushInfoLog();
+
+  // The child process will share the standard handles with the parent.
+  STARTUPINFOA startup_info;
+  memset(&startup_info, 0, sizeof(STARTUPINFO));
+  startup_info.dwFlags = STARTF_USESTDHANDLES;
+  startup_info.hStdInput = ::GetStdHandle(STD_INPUT_HANDLE);
+  startup_info.hStdOutput = ::GetStdHandle(STD_OUTPUT_HANDLE);
+  startup_info.hStdError = ::GetStdHandle(STD_ERROR_HANDLE);
+
+  PROCESS_INFORMATION process_info;
+  GTEST_DEATH_TEST_CHECK_(::CreateProcessA(
+      executable_path,
+      const_cast<char*>(command_line.c_str()),
+      NULL,   // Retuned process handle is not inheritable.
+      NULL,   // Retuned thread handle is not inheritable.
+      TRUE,   // Child inherits all inheritable handles (for write_handle_).
+      0x0,    // Default creation flags.
+      NULL,   // Inherit the parent's environment.
+      UnitTest::GetInstance()->original_working_dir(),
+      &startup_info,
+      &process_info) != FALSE);
+  child_handle_.Reset(process_info.hProcess);
+  ::CloseHandle(process_info.hThread);
+  set_spawned(true);
+  return OVERSEE_TEST;
+}
+# else  // We are not on Windows.
+
+// ForkingDeathTest provides implementations for most of the abstract
+// methods of the DeathTest interface.  Only the AssumeRole method is
+// left undefined.
+class ForkingDeathTest : public DeathTestImpl {
+ public:
+  ForkingDeathTest(const char* statement, const RE* regex);
+
+  // All of these virtual functions are inherited from DeathTest.
+  virtual int Wait();
+
+ protected:
+  void set_child_pid(pid_t child_pid) { child_pid_ = child_pid; }
+
+ private:
+  // PID of child process during death test; 0 in the child process itself.
+  pid_t child_pid_;
+};
+
+// Constructs a ForkingDeathTest.
+ForkingDeathTest::ForkingDeathTest(const char* a_statement, const RE* a_regex)
+    : DeathTestImpl(a_statement, a_regex),
+      child_pid_(-1) {}
+
+// Waits for the child in a death test to exit, returning its exit
+// status, or 0 if no child process exists.  As a side effect, sets the
+// outcome data member.
+int ForkingDeathTest::Wait() {
+  if (!spawned())
+    return 0;
+
+  ReadAndInterpretStatusByte();
+
+  int status_value;
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(waitpid(child_pid_, &status_value, 0));
+  set_status(status_value);
+  return status_value;
+}
+
+// A concrete death test class that forks, then immediately runs the test
+// in the child process.
+class NoExecDeathTest : public ForkingDeathTest {
+ public:
+  NoExecDeathTest(const char* a_statement, const RE* a_regex) :
+      ForkingDeathTest(a_statement, a_regex) { }
+  virtual TestRole AssumeRole();
+};
+
+// The AssumeRole process for a fork-and-run death test.  It implements a
+// straightforward fork, with a simple pipe to transmit the status byte.
+DeathTest::TestRole NoExecDeathTest::AssumeRole() {
+  const size_t thread_count = GetThreadCount();
+  if (thread_count != 1) {
+    GTEST_LOG_(WARNING) << DeathTestThreadWarning(thread_count);
+  }
+
+  int pipe_fd[2];
+  GTEST_DEATH_TEST_CHECK_(pipe(pipe_fd) != -1);
+
+  DeathTest::set_last_death_test_message("");
+  CaptureStderr();
+  // When we fork the process below, the log file buffers are copied, but the
+  // file descriptors are shared.  We flush all log files here so that closing
+  // the file descriptors in the child process doesn't throw off the
+  // synchronization between descriptors and buffers in the parent process.
+  // This is as close to the fork as possible to avoid a race condition in case
+  // there are multiple threads running before the death test, and another
+  // thread writes to the log file.
+  FlushInfoLog();
+
+  const pid_t child_pid = fork();
+  GTEST_DEATH_TEST_CHECK_(child_pid != -1);
+  set_child_pid(child_pid);
+  if (child_pid == 0) {
+    GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[0]));
+    set_write_fd(pipe_fd[1]);
+    // Redirects all logging to stderr in the child process to prevent
+    // concurrent writes to the log files.  We capture stderr in the parent
+    // process and append the child process' output to a log.
+    LogToStderr();
+    // Event forwarding to the listeners of event listener API mush be shut
+    // down in death test subprocesses.
+    GetUnitTestImpl()->listeners()->SuppressEventForwarding();
+    g_in_fast_death_test_child = true;
+    return EXECUTE_TEST;
+  } else {
+    GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[1]));
+    set_read_fd(pipe_fd[0]);
+    set_spawned(true);
+    return OVERSEE_TEST;
+  }
+}
+
+// A concrete death test class that forks and re-executes the main
+// program from the beginning, with command-line flags set that cause
+// only this specific death test to be run.
+class ExecDeathTest : public ForkingDeathTest {
+ public:
+  ExecDeathTest(const char* a_statement, const RE* a_regex,
+                const char* file, int line) :
+      ForkingDeathTest(a_statement, a_regex), file_(file), line_(line) { }
+  virtual TestRole AssumeRole();
+ private:
+  static ::std::vector<testing::internal::string>
+  GetArgvsForDeathTestChildProcess() {
+    ::std::vector<testing::internal::string> args = GetInjectableArgvs();
+    return args;
+  }
+  // The name of the file in which the death test is located.
+  const char* const file_;
+  // The line number on which the death test is located.
+  const int line_;
+};
+
+// Utility class for accumulating command-line arguments.
+class Arguments {
+ public:
+  Arguments() {
+    args_.push_back(NULL);
+  }
+
+  ~Arguments() {
+    for (std::vector<char*>::iterator i = args_.begin(); i != args_.end();
+         ++i) {
+      free(*i);
+    }
+  }
+  void AddArgument(const char* argument) {
+    args_.insert(args_.end() - 1, posix::StrDup(argument));
+  }
+
+  template <typename Str>
+  void AddArguments(const ::std::vector<Str>& arguments) {
+    for (typename ::std::vector<Str>::const_iterator i = arguments.begin();
+         i != arguments.end();
+         ++i) {
+      args_.insert(args_.end() - 1, posix::StrDup(i->c_str()));
+    }
+  }
+  char* const* Argv() {
+    return &args_[0];
+  }
+
+ private:
+  std::vector<char*> args_;
+};
+
+// A struct that encompasses the arguments to the child process of a
+// threadsafe-style death test process.
+struct ExecDeathTestArgs {
+  char* const* argv;  // Command-line arguments for the child's call to exec
+  int close_fd;       // File descriptor to close; the read end of a pipe
+};
+
+#  if GTEST_OS_MAC
+inline char** GetEnviron() {
+  // When Google Test is built as a framework on MacOS X, the environ variable
+  // is unavailable. Apple's documentation (man environ) recommends using
+  // _NSGetEnviron() instead.
+  return *_NSGetEnviron();
+}
+#  else
+// Some POSIX platforms expect you to declare environ. extern "C" makes
+// it reside in the global namespace.
+extern "C" char** environ;
+inline char** GetEnviron() { return environ; }
+#  endif  // GTEST_OS_MAC
+
+#  if !GTEST_OS_QNX
+// The main function for a threadsafe-style death test child process.
+// This function is called in a clone()-ed process and thus must avoid
+// any potentially unsafe operations like malloc or libc functions.
+static int ExecDeathTestChildMain(void* child_arg) {
+  ExecDeathTestArgs* const args = static_cast<ExecDeathTestArgs*>(child_arg);
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(args->close_fd));
+
+  // We need to execute the test program in the same environment where
+  // it was originally invoked.  Therefore we change to the original
+  // working directory first.
+  const char* const original_dir =
+      UnitTest::GetInstance()->original_working_dir();
+  // We can safely call chdir() as it's a direct system call.
+  if (chdir(original_dir) != 0) {
+    DeathTestAbort(std::string("chdir(\"") + original_dir + "\") failed: " +
+                   GetLastErrnoDescription());
+    return EXIT_FAILURE;
+  }
+
+  // We can safely call execve() as it's a direct system call.  We
+  // cannot use execvp() as it's a libc function and thus potentially
+  // unsafe.  Since execve() doesn't search the PATH, the user must
+  // invoke the test program via a valid path that contains at least
+  // one path separator.
+  execve(args->argv[0], args->argv, GetEnviron());
+  DeathTestAbort(std::string("execve(") + args->argv[0] + ", ...) in " +
+                 original_dir + " failed: " +
+                 GetLastErrnoDescription());
+  return EXIT_FAILURE;
+}
+#  endif  // !GTEST_OS_QNX
+
+// Two utility routines that together determine the direction the stack
+// grows.
+// This could be accomplished more elegantly by a single recursive
+// function, but we want to guard against the unlikely possibility of
+// a smart compiler optimizing the recursion away.
+//
+// GTEST_NO_INLINE_ is required to prevent GCC 4.6 from inlining
+// StackLowerThanAddress into StackGrowsDown, which then doesn't give
+// correct answer.
+void StackLowerThanAddress(const void* ptr, bool* result) GTEST_NO_INLINE_;
+void StackLowerThanAddress(const void* ptr, bool* result) {
+  int dummy;
+  *result = (&dummy < ptr);
+}
+
+bool StackGrowsDown() {
+  int dummy;
+  bool result;
+  StackLowerThanAddress(&dummy, &result);
+  return result;
+}
+
+// Spawns a child process with the same executable as the current process in
+// a thread-safe manner and instructs it to run the death test.  The
+// implementation uses fork(2) + exec.  On systems where clone(2) is
+// available, it is used instead, being slightly more thread-safe.  On QNX,
+// fork supports only single-threaded environments, so this function uses
+// spawn(2) there instead.  The function dies with an error message if
+// anything goes wrong.
+static pid_t ExecDeathTestSpawnChild(char* const* argv, int close_fd) {
+  ExecDeathTestArgs args = { argv, close_fd };
+  pid_t child_pid = -1;
+
+#  if GTEST_OS_QNX
+  // Obtains the current directory and sets it to be closed in the child
+  // process.
+  const int cwd_fd = open(".", O_RDONLY);
+  GTEST_DEATH_TEST_CHECK_(cwd_fd != -1);
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(fcntl(cwd_fd, F_SETFD, FD_CLOEXEC));
+  // We need to execute the test program in the same environment where
+  // it was originally invoked.  Therefore we change to the original
+  // working directory first.
+  const char* const original_dir =
+      UnitTest::GetInstance()->original_working_dir();
+  // We can safely call chdir() as it's a direct system call.
+  if (chdir(original_dir) != 0) {
+    DeathTestAbort(std::string("chdir(\"") + original_dir + "\") failed: " +
+                   GetLastErrnoDescription());
+    return EXIT_FAILURE;
+  }
+
+  int fd_flags;
+  // Set close_fd to be closed after spawn.
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(fd_flags = fcntl(close_fd, F_GETFD));
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(fcntl(close_fd, F_SETFD,
+                                        fd_flags | FD_CLOEXEC));
+  struct inheritance inherit = {0};
+  // spawn is a system call.
+  child_pid = spawn(args.argv[0], 0, NULL, &inherit, args.argv, GetEnviron());
+  // Restores the current working directory.
+  GTEST_DEATH_TEST_CHECK_(fchdir(cwd_fd) != -1);
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(cwd_fd));
+
+#  else   // GTEST_OS_QNX
+#   if GTEST_OS_LINUX
+  // When a SIGPROF signal is received while fork() or clone() are executing,
+  // the process may hang. To avoid this, we ignore SIGPROF here and re-enable
+  // it after the call to fork()/clone() is complete.
+  struct sigaction saved_sigprof_action;
+  struct sigaction ignore_sigprof_action;
+  memset(&ignore_sigprof_action, 0, sizeof(ignore_sigprof_action));
+  sigemptyset(&ignore_sigprof_action.sa_mask);
+  ignore_sigprof_action.sa_handler = SIG_IGN;
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(sigaction(
+      SIGPROF, &ignore_sigprof_action, &saved_sigprof_action));
+#   endif  // GTEST_OS_LINUX
+
+#   if GTEST_HAS_CLONE
+  const bool use_fork = GTEST_FLAG(death_test_use_fork);
+
+  if (!use_fork) {
+    static const bool stack_grows_down = StackGrowsDown();
+    const size_t stack_size = getpagesize();
+    // MMAP_ANONYMOUS is not defined on Mac, so we use MAP_ANON instead.
+    void* const stack = mmap(NULL, stack_size, PROT_READ | PROT_WRITE,
+                             MAP_ANON | MAP_PRIVATE, -1, 0);
+    GTEST_DEATH_TEST_CHECK_(stack != MAP_FAILED);
+
+    // Maximum stack alignment in bytes:  For a downward-growing stack, this
+    // amount is subtracted from size of the stack space to get an address
+    // that is within the stack space and is aligned on all systems we care
+    // about.  As far as I know there is no ABI with stack alignment greater
+    // than 64.  We assume stack and stack_size already have alignment of
+    // kMaxStackAlignment.
+    const size_t kMaxStackAlignment = 64;
+    void* const stack_top =
+        static_cast<char*>(stack) +
+            (stack_grows_down ? stack_size - kMaxStackAlignment : 0);
+    GTEST_DEATH_TEST_CHECK_(stack_size > kMaxStackAlignment &&
+        reinterpret_cast<intptr_t>(stack_top) % kMaxStackAlignment == 0);
+
+    child_pid = clone(&ExecDeathTestChildMain, stack_top, SIGCHLD, &args);
+
+    GTEST_DEATH_TEST_CHECK_(munmap(stack, stack_size) != -1);
+  }
+#   else
+  const bool use_fork = true;
+#   endif  // GTEST_HAS_CLONE
+
+  if (use_fork && (child_pid = fork()) == 0) {
+      ExecDeathTestChildMain(&args);
+      _exit(0);
+  }
+#  endif  // GTEST_OS_QNX
+#  if GTEST_OS_LINUX
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(
+      sigaction(SIGPROF, &saved_sigprof_action, NULL));
+#  endif  // GTEST_OS_LINUX
+
+  GTEST_DEATH_TEST_CHECK_(child_pid != -1);
+  return child_pid;
+}
+
+// The AssumeRole process for a fork-and-exec death test.  It re-executes the
+// main program from the beginning, setting the --gtest_filter
+// and --gtest_internal_run_death_test flags to cause only the current
+// death test to be re-run.
+DeathTest::TestRole ExecDeathTest::AssumeRole() {
+  const UnitTestImpl* const impl = GetUnitTestImpl();
+  const InternalRunDeathTestFlag* const flag =
+      impl->internal_run_death_test_flag();
+  const TestInfo* const info = impl->current_test_info();
+  const int death_test_index = info->result()->death_test_count();
+
+  if (flag != NULL) {
+    set_write_fd(flag->write_fd());
+    return EXECUTE_TEST;
+  }
+
+  int pipe_fd[2];
+  GTEST_DEATH_TEST_CHECK_(pipe(pipe_fd) != -1);
+  // Clear the close-on-exec flag on the write end of the pipe, lest
+  // it be closed when the child process does an exec:
+  GTEST_DEATH_TEST_CHECK_(fcntl(pipe_fd[1], F_SETFD, 0) != -1);
+
+  const std::string filter_flag =
+      std::string("--") + GTEST_FLAG_PREFIX_ + kFilterFlag + "="
+      + info->test_case_name() + "." + info->name();
+  const std::string internal_flag =
+      std::string("--") + GTEST_FLAG_PREFIX_ + kInternalRunDeathTestFlag + "="
+      + file_ + "|" + StreamableToString(line_) + "|"
+      + StreamableToString(death_test_index) + "|"
+      + StreamableToString(pipe_fd[1]);
+  Arguments args;
+  args.AddArguments(GetArgvsForDeathTestChildProcess());
+  args.AddArgument(filter_flag.c_str());
+  args.AddArgument(internal_flag.c_str());
+
+  DeathTest::set_last_death_test_message("");
+
+  CaptureStderr();
+  // See the comment in NoExecDeathTest::AssumeRole for why the next line
+  // is necessary.
+  FlushInfoLog();
+
+  const pid_t child_pid = ExecDeathTestSpawnChild(args.Argv(), pipe_fd[0]);
+  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[1]));
+  set_child_pid(child_pid);
+  set_read_fd(pipe_fd[0]);
+  set_spawned(true);
+  return OVERSEE_TEST;
+}
+
+# endif  // !GTEST_OS_WINDOWS
+
+// Creates a concrete DeathTest-derived class that depends on the
+// --gtest_death_test_style flag, and sets the pointer pointed to
+// by the "test" argument to its address.  If the test should be
+// skipped, sets that pointer to NULL.  Returns true, unless the
+// flag is set to an invalid value.
+bool DefaultDeathTestFactory::Create(const char* statement, const RE* regex,
+                                     const char* file, int line,
+                                     DeathTest** test) {
+  UnitTestImpl* const impl = GetUnitTestImpl();
+  const InternalRunDeathTestFlag* const flag =
+      impl->internal_run_death_test_flag();
+  const int death_test_index = impl->current_test_info()
+      ->increment_death_test_count();
+
+  if (flag != NULL) {
+    if (death_test_index > flag->index()) {
+      DeathTest::set_last_death_test_message(
+          "Death test count (" + StreamableToString(death_test_index)
+          + ") somehow exceeded expected maximum ("
+          + StreamableToString(flag->index()) + ")");
+      return false;
+    }
+
+    if (!(flag->file() == file && flag->line() == line &&
+          flag->index() == death_test_index)) {
+      *test = NULL;
+      return true;
+    }
+  }
+
+# if GTEST_OS_WINDOWS
+
+  if (GTEST_FLAG(death_test_style) == "threadsafe" ||
+      GTEST_FLAG(death_test_style) == "fast") {
+    *test = new WindowsDeathTest(statement, regex, file, line);
+  }
+
+# else
+
+  if (GTEST_FLAG(death_test_style) == "threadsafe") {
+    *test = new ExecDeathTest(statement, regex, file, line);
+  } else if (GTEST_FLAG(death_test_style) == "fast") {
+    *test = new NoExecDeathTest(statement, regex);
+  }
+
+# endif  // GTEST_OS_WINDOWS
+
+  else {  // NOLINT - this is more readable than unbalanced brackets inside #if.
+    DeathTest::set_last_death_test_message(
+        "Unknown death test style \"" + GTEST_FLAG(death_test_style)
+        + "\" encountered");
+    return false;
+  }
+
+  return true;
+}
+
+// Splits a given string on a given delimiter, populating a given
+// vector with the fields.  GTEST_HAS_DEATH_TEST implies that we have
+// ::std::string, so we can use it here.
+static void SplitString(const ::std::string& str, char delimiter,
+                        ::std::vector< ::std::string>* dest) {
+  ::std::vector< ::std::string> parsed;
+  ::std::string::size_type pos = 0;
+  while (::testing::internal::AlwaysTrue()) {
+    const ::std::string::size_type colon = str.find(delimiter, pos);
+    if (colon == ::std::string::npos) {
+      parsed.push_back(str.substr(pos));
+      break;
+    } else {
+      parsed.push_back(str.substr(pos, colon - pos));
+      pos = colon + 1;
+    }
+  }
+  dest->swap(parsed);
+}
+
+# if GTEST_OS_WINDOWS
+// Recreates the pipe and event handles from the provided parameters,
+// signals the event, and returns a file descriptor wrapped around the pipe
+// handle. This function is called in the child process only.
+int GetStatusFileDescriptor(unsigned int parent_process_id,
+                            size_t write_handle_as_size_t,
+                            size_t event_handle_as_size_t) {
+  AutoHandle parent_process_handle(::OpenProcess(PROCESS_DUP_HANDLE,
+                                                   FALSE,  // Non-inheritable.
+                                                   parent_process_id));
+  if (parent_process_handle.Get() == INVALID_HANDLE_VALUE) {
+    DeathTestAbort("Unable to open parent process " +
+                   StreamableToString(parent_process_id));
+  }
+
+  // TODO(vladl@google.com): Replace the following check with a
+  // compile-time assertion when available.
+  GTEST_CHECK_(sizeof(HANDLE) <= sizeof(size_t));
+
+  const HANDLE write_handle =
+      reinterpret_cast<HANDLE>(write_handle_as_size_t);
+  HANDLE dup_write_handle;
+
+  // The newly initialized handle is accessible only in in the parent
+  // process. To obtain one accessible within the child, we need to use
+  // DuplicateHandle.
+  if (!::DuplicateHandle(parent_process_handle.Get(), write_handle,
+                         ::GetCurrentProcess(), &dup_write_handle,
+                         0x0,    // Requested privileges ignored since
+                                 // DUPLICATE_SAME_ACCESS is used.
+                         FALSE,  // Request non-inheritable handler.
+                         DUPLICATE_SAME_ACCESS)) {
+    DeathTestAbort("Unable to duplicate the pipe handle " +
+                   StreamableToString(write_handle_as_size_t) +
+                   " from the parent process " +
+                   StreamableToString(parent_process_id));
+  }
+
+  const HANDLE event_handle = reinterpret_cast<HANDLE>(event_handle_as_size_t);
+  HANDLE dup_event_handle;
+
+  if (!::DuplicateHandle(parent_process_handle.Get(), event_handle,
+                         ::GetCurrentProcess(), &dup_event_handle,
+                         0x0,
+                         FALSE,
+                         DUPLICATE_SAME_ACCESS)) {
+    DeathTestAbort("Unable to duplicate the event handle " +
+                   StreamableToString(event_handle_as_size_t) +
+                   " from the parent process " +
+                   StreamableToString(parent_process_id));
+  }
+
+  const int write_fd =
+      ::_open_osfhandle(reinterpret_cast<intptr_t>(dup_write_handle), O_APPEND);
+  if (write_fd == -1) {
+    DeathTestAbort("Unable to convert pipe handle " +
+                   StreamableToString(write_handle_as_size_t) +
+                   " to a file descriptor");
+  }
+
+  // Signals the parent that the write end of the pipe has been acquired
+  // so the parent can release its own write end.
+  ::SetEvent(dup_event_handle);
+
+  return write_fd;
+}
+# endif  // GTEST_OS_WINDOWS
+
+// Returns a newly created InternalRunDeathTestFlag object with fields
+// initialized from the GTEST_FLAG(internal_run_death_test) flag if
+// the flag is specified; otherwise returns NULL.
+InternalRunDeathTestFlag* ParseInternalRunDeathTestFlag() {
+  if (GTEST_FLAG(internal_run_death_test) == "") return NULL;
+
+  // GTEST_HAS_DEATH_TEST implies that we have ::std::string, so we
+  // can use it here.
+  int line = -1;
+  int index = -1;
+  ::std::vector< ::std::string> fields;
+  SplitString(GTEST_FLAG(internal_run_death_test).c_str(), '|', &fields);
+  int write_fd = -1;
+
+# if GTEST_OS_WINDOWS
+
+  unsigned int parent_process_id = 0;
+  size_t write_handle_as_size_t = 0;
+  size_t event_handle_as_size_t = 0;
+
+  if (fields.size() != 6
+      || !ParseNaturalNumber(fields[1], &line)
+      || !ParseNaturalNumber(fields[2], &index)
+      || !ParseNaturalNumber(fields[3], &parent_process_id)
+      || !ParseNaturalNumber(fields[4], &write_handle_as_size_t)
+      || !ParseNaturalNumber(fields[5], &event_handle_as_size_t)) {
+    DeathTestAbort("Bad --gtest_internal_run_death_test flag: " +
+                   GTEST_FLAG(internal_run_death_test));
+  }
+  write_fd = GetStatusFileDescriptor(parent_process_id,
+                                     write_handle_as_size_t,
+                                     event_handle_as_size_t);
+# else
+
+  if (fields.size() != 4
+      || !ParseNaturalNumber(fields[1], &line)
+      || !ParseNaturalNumber(fields[2], &index)
+      || !ParseNaturalNumber(fields[3], &write_fd)) {
+    DeathTestAbort("Bad --gtest_internal_run_death_test flag: "
+        + GTEST_FLAG(internal_run_death_test));
+  }
+
+# endif  // GTEST_OS_WINDOWS
+
+  return new InternalRunDeathTestFlag(fields[0], line, index, write_fd);
+}
+
+}  // namespace internal
+
+#endif  // GTEST_HAS_DEATH_TEST
+
+}  // namespace testing
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: keith.ray@gmail.com (Keith Ray)
+
+
+#include <stdlib.h>
+
+#if GTEST_OS_WINDOWS_MOBILE
+# include <windows.h>
+#elif GTEST_OS_WINDOWS
+# include <direct.h>
+# include <io.h>
+#elif GTEST_OS_SYMBIAN
+// Symbian OpenC has PATH_MAX in sys/syslimits.h
+# include <sys/syslimits.h>
+#else
+# include <limits.h>
+# include <climits>  // Some Linux distributions define PATH_MAX here.
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+#if GTEST_OS_WINDOWS
+# define GTEST_PATH_MAX_ _MAX_PATH
+#elif defined(PATH_MAX)
+# define GTEST_PATH_MAX_ PATH_MAX
+#elif defined(_XOPEN_PATH_MAX)
+# define GTEST_PATH_MAX_ _XOPEN_PATH_MAX
+#else
+# define GTEST_PATH_MAX_ _POSIX_PATH_MAX
+#endif  // GTEST_OS_WINDOWS
+
+
+namespace testing {
+namespace internal {
+
+#if GTEST_OS_WINDOWS
+// On Windows, '\\' is the standard path separator, but many tools and the
+// Windows API also accept '/' as an alternate path separator. Unless otherwise
+// noted, a file path can contain either kind of path separators, or a mixture
+// of them.
+const char kPathSeparator = '\\';
+const char kAlternatePathSeparator = '/';
+//const char kPathSeparatorString[] = "\\";
+const char kAlternatePathSeparatorString[] = "/";
+# if GTEST_OS_WINDOWS_MOBILE
+// Windows CE doesn't have a current directory. You should not use
+// the current directory in tests on Windows CE, but this at least
+// provides a reasonable fallback.
+const char kCurrentDirectoryString[] = "\\";
+// Windows CE doesn't define INVALID_FILE_ATTRIBUTES
+const DWORD kInvalidFileAttributes = 0xffffffff;
+# else
+const char kCurrentDirectoryString[] = ".\\";
+# endif  // GTEST_OS_WINDOWS_MOBILE
+#else
+const char kPathSeparator = '/';
+//const char kPathSeparatorString[] = "/";
+const char kCurrentDirectoryString[] = "./";
+#endif  // GTEST_OS_WINDOWS
+
+// Returns whether the given character is a valid path separator.
+static bool IsPathSeparator(char c) {
+#if GTEST_HAS_ALT_PATH_SEP_
+  return (c == kPathSeparator) || (c == kAlternatePathSeparator);
+#else
+  return c == kPathSeparator;
+#endif
+}
+
+// Returns the current working directory, or "" if unsuccessful.
+FilePath FilePath::GetCurrentDir() {
+#if GTEST_OS_WINDOWS_MOBILE
+  // Windows CE doesn't have a current directory, so we just return
+  // something reasonable.
+  return FilePath(kCurrentDirectoryString);
+#elif GTEST_OS_WINDOWS
+  char cwd[GTEST_PATH_MAX_ + 1] = { '\0' };
+  return FilePath(_getcwd(cwd, sizeof(cwd)) == NULL ? "" : cwd);
+#else
+  char cwd[GTEST_PATH_MAX_ + 1] = { '\0' };
+  return FilePath(getcwd(cwd, sizeof(cwd)) == NULL ? "" : cwd);
+#endif  // GTEST_OS_WINDOWS_MOBILE
+}
+
+// Returns a copy of the FilePath with the case-insensitive extension removed.
+// Example: FilePath("dir/file.exe").RemoveExtension("EXE") returns
+// FilePath("dir/file"). If a case-insensitive extension is not
+// found, returns a copy of the original FilePath.
+FilePath FilePath::RemoveExtension(const char* extension) const {
+  const std::string dot_extension = std::string(".") + extension;
+  if (String::EndsWithCaseInsensitive(pathname_, dot_extension)) {
+    return FilePath(pathname_.substr(
+        0, pathname_.length() - dot_extension.length()));
+  }
+  return *this;
+}
+
+// Returns a pointer to the last occurrence of a valid path separator in
+// the FilePath. On Windows, for example, both '/' and '\' are valid path
+// separators. Returns NULL if no path separator was found.
+const char* FilePath::FindLastPathSeparator() const {
+  const char* const last_sep = strrchr(c_str(), kPathSeparator);
+#if GTEST_HAS_ALT_PATH_SEP_
+  const char* const last_alt_sep = strrchr(c_str(), kAlternatePathSeparator);
+  // Comparing two pointers of which only one is NULL is undefined.
+  if (last_alt_sep != NULL &&
+      (last_sep == NULL || last_alt_sep > last_sep)) {
+    return last_alt_sep;
+  }
+#endif
+  return last_sep;
+}
+
+// Returns a copy of the FilePath with the directory part removed.
+// Example: FilePath("path/to/file").RemoveDirectoryName() returns
+// FilePath("file"). If there is no directory part ("just_a_file"), it returns
+// the FilePath unmodified. If there is no file part ("just_a_dir/") it
+// returns an empty FilePath ("").
+// On Windows platform, '\' is the path separator, otherwise it is '/'.
+FilePath FilePath::RemoveDirectoryName() const {
+  const char* const last_sep = FindLastPathSeparator();
+  return last_sep ? FilePath(last_sep + 1) : *this;
+}
+
+// RemoveFileName returns the directory path with the filename removed.
+// Example: FilePath("path/to/file").RemoveFileName() returns "path/to/".
+// If the FilePath is "a_file" or "/a_file", RemoveFileName returns
+// FilePath("./") or, on Windows, FilePath(".\\"). If the filepath does
+// not have a file, like "just/a/dir/", it returns the FilePath unmodified.
+// On Windows platform, '\' is the path separator, otherwise it is '/'.
+FilePath FilePath::RemoveFileName() const {
+  const char* const last_sep = FindLastPathSeparator();
+  std::string dir;
+  if (last_sep) {
+    dir = std::string(c_str(), last_sep + 1 - c_str());
+  } else {
+    dir = kCurrentDirectoryString;
+  }
+  return FilePath(dir);
+}
+
+// Helper functions for naming files in a directory for xml output.
+
+// Given directory = "dir", base_name = "test", number = 0,
+// extension = "xml", returns "dir/test.xml". If number is greater
+// than zero (e.g., 12), returns "dir/test_12.xml".
+// On Windows platform, uses \ as the separator rather than /.
+FilePath FilePath::MakeFileName(const FilePath& directory,
+                                const FilePath& base_name,
+                                int number,
+                                const char* extension) {
+  std::string file;
+  if (number == 0) {
+    file = base_name.string() + "." + extension;
+  } else {
+    file = base_name.string() + "_" + StreamableToString(number)
+        + "." + extension;
+  }
+  return ConcatPaths(directory, FilePath(file));
+}
+
+// Given directory = "dir", relative_path = "test.xml", returns "dir/test.xml".
+// On Windows, uses \ as the separator rather than /.
+FilePath FilePath::ConcatPaths(const FilePath& directory,
+                               const FilePath& relative_path) {
+  if (directory.IsEmpty())
+    return relative_path;
+  const FilePath dir(directory.RemoveTrailingPathSeparator());
+  return FilePath(dir.string() + kPathSeparator + relative_path.string());
+}
+
+// Returns true if pathname describes something findable in the file-system,
+// either a file, directory, or whatever.
+bool FilePath::FileOrDirectoryExists() const {
+#if GTEST_OS_WINDOWS_MOBILE
+  LPCWSTR unicode = String::AnsiToUtf16(pathname_.c_str());
+  const DWORD attributes = GetFileAttributes(unicode);
+  delete [] unicode;
+  return attributes != kInvalidFileAttributes;
+#else
+  posix::StatStruct file_stat;
+  return posix::Stat(pathname_.c_str(), &file_stat) == 0;
+#endif  // GTEST_OS_WINDOWS_MOBILE
+}
+
+// Returns true if pathname describes a directory in the file-system
+// that exists.
+bool FilePath::DirectoryExists() const {
+  bool result = false;
+#if GTEST_OS_WINDOWS
+  // Don't strip off trailing separator if path is a root directory on
+  // Windows (like "C:\\").
+  const FilePath& path(IsRootDirectory() ? *this :
+                                           RemoveTrailingPathSeparator());
+#else
+  const FilePath& path(*this);
+#endif
+
+#if GTEST_OS_WINDOWS_MOBILE
+  LPCWSTR unicode = String::AnsiToUtf16(path.c_str());
+  const DWORD attributes = GetFileAttributes(unicode);
+  delete [] unicode;
+  if ((attributes != kInvalidFileAttributes) &&
+      (attributes & FILE_ATTRIBUTE_DIRECTORY)) {
+    result = true;
+  }
+#else
+  posix::StatStruct file_stat;
+  result = posix::Stat(path.c_str(), &file_stat) == 0 &&
+      posix::IsDir(file_stat);
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+  return result;
+}
+
+// Returns true if pathname describes a root directory. (Windows has one
+// root directory per disk drive.)
+bool FilePath::IsRootDirectory() const {
+#if GTEST_OS_WINDOWS
+  // TODO(wan@google.com): on Windows a network share like
+  // \\server\share can be a root directory, although it cannot be the
+  // current directory.  Handle this properly.
+  return pathname_.length() == 3 && IsAbsolutePath();
+#else
+  return pathname_.length() == 1 && IsPathSeparator(pathname_.c_str()[0]);
+#endif
+}
+
+// Returns true if pathname describes an absolute path.
+bool FilePath::IsAbsolutePath() const {
+  const char* const name = pathname_.c_str();
+#if GTEST_OS_WINDOWS
+  return pathname_.length() >= 3 &&
+     ((name[0] >= 'a' && name[0] <= 'z') ||
+      (name[0] >= 'A' && name[0] <= 'Z')) &&
+     name[1] == ':' &&
+     IsPathSeparator(name[2]);
+#else
+  return IsPathSeparator(name[0]);
+#endif
+}
+
+// Returns a pathname for a file that does not currently exist. The pathname
+// will be directory/base_name.extension or
+// directory/base_name_<number>.extension if directory/base_name.extension
+// already exists. The number will be incremented until a pathname is found
+// that does not already exist.
+// Examples: 'dir/foo_test.xml' or 'dir/foo_test_1.xml'.
+// There could be a race condition if two or more processes are calling this
+// function at the same time -- they could both pick the same filename.
+FilePath FilePath::GenerateUniqueFileName(const FilePath& directory,
+                                          const FilePath& base_name,
+                                          const char* extension) {
+  FilePath full_pathname;
+  int number = 0;
+  do {
+    full_pathname.Set(MakeFileName(directory, base_name, number++, extension));
+  } while (full_pathname.FileOrDirectoryExists());
+  return full_pathname;
+}
+
+// Returns true if FilePath ends with a path separator, which indicates that
+// it is intended to represent a directory. Returns false otherwise.
+// This does NOT check that a directory (or file) actually exists.
+bool FilePath::IsDirectory() const {
+  return !pathname_.empty() &&
+         IsPathSeparator(pathname_.c_str()[pathname_.length() - 1]);
+}
+
+// Create directories so that path exists. Returns true if successful or if
+// the directories already exist; returns false if unable to create directories
+// for any reason.
+bool FilePath::CreateDirectoriesRecursively() const {
+  if (!this->IsDirectory()) {
+    return false;
+  }
+
+  if (pathname_.length() == 0 || this->DirectoryExists()) {
+    return true;
+  }
+
+  const FilePath parent(this->RemoveTrailingPathSeparator().RemoveFileName());
+  return parent.CreateDirectoriesRecursively() && this->CreateFolder();
+}
+
+// Create the directory so that path exists. Returns true if successful or
+// if the directory already exists; returns false if unable to create the
+// directory for any reason, including if the parent directory does not
+// exist. Not named "CreateDirectory" because that's a macro on Windows.
+bool FilePath::CreateFolder() const {
+#if GTEST_OS_WINDOWS_MOBILE
+  FilePath removed_sep(this->RemoveTrailingPathSeparator());
+  LPCWSTR unicode = String::AnsiToUtf16(removed_sep.c_str());
+  int result = CreateDirectory(unicode, NULL) ? 0 : -1;
+  delete [] unicode;
+#elif GTEST_OS_WINDOWS
+  int result = _mkdir(pathname_.c_str());
+#else
+  int result = mkdir(pathname_.c_str(), 0777);
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+  if (result == -1) {
+    return this->DirectoryExists();  // An error is OK if the directory exists.
+  }
+  return true;  // No error.
+}
+
+// If input name has a trailing separator character, remove it and return the
+// name, otherwise return the name string unmodified.
+// On Windows platform, uses \ as the separator, other platforms use /.
+FilePath FilePath::RemoveTrailingPathSeparator() const {
+  return IsDirectory()
+      ? FilePath(pathname_.substr(0, pathname_.length() - 1))
+      : *this;
+}
+
+// Removes any redundant separators that might be in the pathname.
+// For example, "bar///foo" becomes "bar/foo". Does not eliminate other
+// redundancies that might be in a pathname involving "." or "..".
+// TODO(wan@google.com): handle Windows network shares (e.g. \\server\share).
+void FilePath::Normalize() {
+  if (pathname_.c_str() == NULL) {
+    pathname_ = "";
+    return;
+  }
+  const char* src = pathname_.c_str();
+  char* const dest = new char[pathname_.length() + 1];
+  char* dest_ptr = dest;
+  memset(dest_ptr, 0, pathname_.length() + 1);
+
+  while (*src != '\0') {
+    *dest_ptr = *src;
+    if (!IsPathSeparator(*src)) {
+      src++;
+    } else {
+#if GTEST_HAS_ALT_PATH_SEP_
+      if (*dest_ptr == kAlternatePathSeparator) {
+        *dest_ptr = kPathSeparator;
+      }
+#endif
+      while (IsPathSeparator(*src))
+        src++;
+    }
+    dest_ptr++;
+  }
+  *dest_ptr = '\0';
+  pathname_ = dest;
+  delete[] dest;
+}
+
+}  // namespace internal
+}  // namespace testing
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+
+#include <limits.h>
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
+
+#if GTEST_OS_WINDOWS_MOBILE
+# include <windows.h>  // For TerminateProcess()
+#elif GTEST_OS_WINDOWS
+# include <io.h>
+# include <sys/stat.h>
+#else
+# include <unistd.h>
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+#if GTEST_OS_MAC
+# include <mach/mach_init.h>
+# include <mach/task.h>
+# include <mach/vm_map.h>
+#endif  // GTEST_OS_MAC
+
+#if GTEST_OS_QNX
+# include <devctl.h>
+# include <sys/procfs.h>
+#endif  // GTEST_OS_QNX
+
+
+// Indicates that this translation unit is part of Google Test's
+// implementation.  It must come before gtest-internal-inl.h is
+// included, or there will be a compiler error.  This trick is to
+// prevent a user from accidentally including gtest-internal-inl.h in
+// his code.
+#define GTEST_IMPLEMENTATION_ 1
+#undef GTEST_IMPLEMENTATION_
+
+namespace testing {
+namespace internal {
+
+#if defined(_MSC_VER) || defined(__BORLANDC__)
+// MSVC and C++Builder do not provide a definition of STDERR_FILENO.
+const int kStdOutFileno = 1;
+const int kStdErrFileno = 2;
+#else
+const int kStdOutFileno = STDOUT_FILENO;
+const int kStdErrFileno = STDERR_FILENO;
+#endif  // _MSC_VER
+
+#if GTEST_OS_MAC
+
+// Returns the number of threads running in the process, or 0 to indicate that
+// we cannot detect it.
+size_t GetThreadCount() {
+  const task_t task = mach_task_self();
+  mach_msg_type_number_t thread_count;
+  thread_act_array_t thread_list;
+  const kern_return_t status = task_threads(task, &thread_list, &thread_count);
+  if (status == KERN_SUCCESS) {
+    // task_threads allocates resources in thread_list and we need to free them
+    // to avoid leaks.
+    vm_deallocate(task,
+                  reinterpret_cast<vm_address_t>(thread_list),
+                  sizeof(thread_t) * thread_count);
+    return static_cast<size_t>(thread_count);
+  } else {
+    return 0;
+  }
+}
+
+#elif GTEST_OS_QNX
+
+// Returns the number of threads running in the process, or 0 to indicate that
+// we cannot detect it.
+size_t GetThreadCount() {
+  const int fd = open("/proc/self/as", O_RDONLY);
+  if (fd < 0) {
+    return 0;
+  }
+  procfs_info process_info;
+  const int status =
+      devctl(fd, DCMD_PROC_INFO, &process_info, sizeof(process_info), NULL);
+  close(fd);
+  if (status == EOK) {
+    return static_cast<size_t>(process_info.num_threads);
+  } else {
+    return 0;
+  }
+}
+
+#else
+
+size_t GetThreadCount() {
+  // There's no portable way to detect the number of threads, so we just
+  // return 0 to indicate that we cannot detect it.
+  return 0;
+}
+
+#endif  // GTEST_OS_MAC
+
+#if GTEST_USES_POSIX_RE
+
+// Implements RE.  Currently only needed for death tests.
+
+RE::~RE() {
+  if (is_valid_) {
+    // regfree'ing an invalid regex might crash because the content
+    // of the regex is undefined. Since the regex's are essentially
+    // the same, one cannot be valid (or invalid) without the other
+    // being so too.
+    regfree(&partial_regex_);
+    regfree(&full_regex_);
+  }
+  free(const_cast<char*>(pattern_));
+}
+
+// Returns true iff regular expression re matches the entire str.
+bool RE::FullMatch(const char* str, const RE& re) {
+  if (!re.is_valid_) return false;
+
+  regmatch_t match;
+  return regexec(&re.full_regex_, str, 1, &match, 0) == 0;
+}
+
+// Returns true iff regular expression re matches a substring of str
+// (including str itself).
+bool RE::PartialMatch(const char* str, const RE& re) {
+  if (!re.is_valid_) return false;
+
+  regmatch_t match;
+  return regexec(&re.partial_regex_, str, 1, &match, 0) == 0;
+}
+
+// Initializes an RE from its string representation.
+void RE::Init(const char* regex) {
+  pattern_ = posix::StrDup(regex);
+
+  // Reserves enough bytes to hold the regular expression used for a
+  // full match.
+  const size_t full_regex_len = strlen(regex) + 10;
+  char* const full_pattern = new char[full_regex_len];
+
+  snprintf(full_pattern, full_regex_len, "^(%s)$", regex);
+  is_valid_ = regcomp(&full_regex_, full_pattern, REG_EXTENDED) == 0;
+  // We want to call regcomp(&partial_regex_, ...) even if the
+  // previous expression returns false.  Otherwise partial_regex_ may
+  // not be properly initialized can may cause trouble when it's
+  // freed.
+  //
+  // Some implementation of POSIX regex (e.g. on at least some
+  // versions of Cygwin) doesn't accept the empty string as a valid
+  // regex.  We change it to an equivalent form "()" to be safe.
+  if (is_valid_) {
+    const char* const partial_regex = (*regex == '\0') ? "()" : regex;
+    is_valid_ = regcomp(&partial_regex_, partial_regex, REG_EXTENDED) == 0;
+  }
+  EXPECT_TRUE(is_valid_)
+      << "Regular expression \"" << regex
+      << "\" is not a valid POSIX Extended regular expression.";
+
+  delete[] full_pattern;
+}
+
+#elif GTEST_USES_SIMPLE_RE
+
+// Returns true iff ch appears anywhere in str (excluding the
+// terminating '\0' character).
+bool IsInSet(char ch, const char* str) {
+  return ch != '\0' && strchr(str, ch) != NULL;
+}
+
+// Returns true iff ch belongs to the given classification.  Unlike
+// similar functions in <ctype.h>, these aren't affected by the
+// current locale.
+bool IsAsciiDigit(char ch) { return '0' <= ch && ch <= '9'; }
+bool IsAsciiPunct(char ch) {
+  return IsInSet(ch, "^-!\"#$%&'()*+,./:;<=>?@[\\]_`{|}~");
+}
+bool IsRepeat(char ch) { return IsInSet(ch, "?*+"); }
+bool IsAsciiWhiteSpace(char ch) { return IsInSet(ch, " \f\n\r\t\v"); }
+bool IsAsciiWordChar(char ch) {
+  return ('a' <= ch && ch <= 'z') || ('A' <= ch && ch <= 'Z') ||
+      ('0' <= ch && ch <= '9') || ch == '_';
+}
+
+// Returns true iff "\\c" is a supported escape sequence.
+bool IsValidEscape(char c) {
+  return (IsAsciiPunct(c) || IsInSet(c, "dDfnrsStvwW"));
+}
+
+// Returns true iff the given atom (specified by escaped and pattern)
+// matches ch.  The result is undefined if the atom is invalid.
+bool AtomMatchesChar(bool escaped, char pattern_char, char ch) {
+  if (escaped) {  // "\\p" where p is pattern_char.
+    switch (pattern_char) {
+      case 'd': return IsAsciiDigit(ch);
+      case 'D': return !IsAsciiDigit(ch);
+      case 'f': return ch == '\f';
+      case 'n': return ch == '\n';
+      case 'r': return ch == '\r';
+      case 's': return IsAsciiWhiteSpace(ch);
+      case 'S': return !IsAsciiWhiteSpace(ch);
+      case 't': return ch == '\t';
+      case 'v': return ch == '\v';
+      case 'w': return IsAsciiWordChar(ch);
+      case 'W': return !IsAsciiWordChar(ch);
+    }
+    return IsAsciiPunct(pattern_char) && pattern_char == ch;
+  }
+
+  return (pattern_char == '.' && ch != '\n') || pattern_char == ch;
+}
+
+// Helper function used by ValidateRegex() to format error messages.
+std::string FormatRegexSyntaxError(const char* regex, int index) {
+  return (Message() << "Syntax error at index " << index
+          << " in simple regular expression \"" << regex << "\": ").GetString();
+}
+
+// Generates non-fatal failures and returns false if regex is invalid;
+// otherwise returns true.
+bool ValidateRegex(const char* regex) {
+  if (regex == NULL) {
+    // TODO(wan@google.com): fix the source file location in the
+    // assertion failures to match where the regex is used in user
+    // code.
+    ADD_FAILURE() << "NULL is not a valid simple regular expression.";
+    return false;
+  }
+
+  bool is_valid = true;
+
+  // True iff ?, *, or + can follow the previous atom.
+  bool prev_repeatable = false;
+  for (int i = 0; regex[i]; i++) {
+    if (regex[i] == '\\') {  // An escape sequence
+      i++;
+      if (regex[i] == '\0') {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i - 1)
+                      << "'\\' cannot appear at the end.";
+        return false;
+      }
+
+      if (!IsValidEscape(regex[i])) {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i - 1)
+                      << "invalid escape sequence \"\\" << regex[i] << "\".";
+        is_valid = false;
+      }
+      prev_repeatable = true;
+    } else {  // Not an escape sequence.
+      const char ch = regex[i];
+
+      if (ch == '^' && i > 0) {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
+                      << "'^' can only appear at the beginning.";
+        is_valid = false;
+      } else if (ch == '$' && regex[i + 1] != '\0') {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
+                      << "'$' can only appear at the end.";
+        is_valid = false;
+      } else if (IsInSet(ch, "()[]{}|")) {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
+                      << "'" << ch << "' is unsupported.";
+        is_valid = false;
+      } else if (IsRepeat(ch) && !prev_repeatable) {
+        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
+                      << "'" << ch << "' can only follow a repeatable token.";
+        is_valid = false;
+      }
+
+      prev_repeatable = !IsInSet(ch, "^$?*+");
+    }
+  }
+
+  return is_valid;
+}
+
+// Matches a repeated regex atom followed by a valid simple regular
+// expression.  The regex atom is defined as c if escaped is false,
+// or \c otherwise.  repeat is the repetition meta character (?, *,
+// or +).  The behavior is undefined if str contains too many
+// characters to be indexable by size_t, in which case the test will
+// probably time out anyway.  We are fine with this limitation as
+// std::string has it too.
+bool MatchRepetitionAndRegexAtHead(
+    bool escaped, char c, char repeat, const char* regex,
+    const char* str) {
+  const size_t min_count = (repeat == '+') ? 1 : 0;
+  const size_t max_count = (repeat == '?') ? 1 :
+      static_cast<size_t>(-1) - 1;
+  // We cannot call numeric_limits::max() as it conflicts with the
+  // max() macro on Windows.
+
+  for (size_t i = 0; i <= max_count; ++i) {
+    // We know that the atom matches each of the first i characters in str.
+    if (i >= min_count && MatchRegexAtHead(regex, str + i)) {
+      // We have enough matches at the head, and the tail matches too.
+      // Since we only care about *whether* the pattern matches str
+      // (as opposed to *how* it matches), there is no need to find a
+      // greedy match.
+      return true;
+    }
+    if (str[i] == '\0' || !AtomMatchesChar(escaped, c, str[i]))
+      return false;
+  }
+  return false;
+}
+
+// Returns true iff regex matches a prefix of str.  regex must be a
+// valid simple regular expression and not start with "^", or the
+// result is undefined.
+bool MatchRegexAtHead(const char* regex, const char* str) {
+  if (*regex == '\0')  // An empty regex matches a prefix of anything.
+    return true;
+
+  // "$" only matches the end of a string.  Note that regex being
+  // valid guarantees that there's nothing after "$" in it.
+  if (*regex == '$')
+    return *str == '\0';
+
+  // Is the first thing in regex an escape sequence?
+  const bool escaped = *regex == '\\';
+  if (escaped)
+    ++regex;
+  if (IsRepeat(regex[1])) {
+    // MatchRepetitionAndRegexAtHead() calls MatchRegexAtHead(), so
+    // here's an indirect recursion.  It terminates as the regex gets
+    // shorter in each recursion.
+    return MatchRepetitionAndRegexAtHead(
+        escaped, regex[0], regex[1], regex + 2, str);
+  } else {
+    // regex isn't empty, isn't "$", and doesn't start with a
+    // repetition.  We match the first atom of regex with the first
+    // character of str and recurse.
+    return (*str != '\0') && AtomMatchesChar(escaped, *regex, *str) &&
+        MatchRegexAtHead(regex + 1, str + 1);
+  }
+}
+
+// Returns true iff regex matches any substring of str.  regex must be
+// a valid simple regular expression, or the result is undefined.
+//
+// The algorithm is recursive, but the recursion depth doesn't exceed
+// the regex length, so we won't need to worry about running out of
+// stack space normally.  In rare cases the time complexity can be
+// exponential with respect to the regex length + the string length,
+// but usually it's must faster (often close to linear).
+bool MatchRegexAnywhere(const char* regex, const char* str) {
+  if (regex == NULL || str == NULL)
+    return false;
+
+  if (*regex == '^')
+    return MatchRegexAtHead(regex + 1, str);
+
+  // A successful match can be anywhere in str.
+  do {
+    if (MatchRegexAtHead(regex, str))
+      return true;
+  } while (*str++ != '\0');
+  return false;
+}
+
+// Implements the RE class.
+
+RE::~RE() {
+  free(const_cast<char*>(pattern_));
+  free(const_cast<char*>(full_pattern_));
+}
+
+// Returns true iff regular expression re matches the entire str.
+bool RE::FullMatch(const char* str, const RE& re) {
+  return re.is_valid_ && MatchRegexAnywhere(re.full_pattern_, str);
+}
+
+// Returns true iff regular expression re matches a substring of str
+// (including str itself).
+bool RE::PartialMatch(const char* str, const RE& re) {
+  return re.is_valid_ && MatchRegexAnywhere(re.pattern_, str);
+}
+
+// Initializes an RE from its string representation.
+void RE::Init(const char* regex) {
+  pattern_ = full_pattern_ = NULL;
+  if (regex != NULL) {
+    pattern_ = posix::StrDup(regex);
+  }
+
+  is_valid_ = ValidateRegex(regex);
+  if (!is_valid_) {
+    // No need to calculate the full pattern when the regex is invalid.
+    return;
+  }
+
+  const size_t len = strlen(regex);
+  // Reserves enough bytes to hold the regular expression used for a
+  // full match: we need space to prepend a '^', append a '$', and
+  // terminate the string with '\0'.
+  char* buffer = static_cast<char*>(malloc(len + 3));
+  full_pattern_ = buffer;
+
+  if (*regex != '^')
+    *buffer++ = '^';  // Makes sure full_pattern_ starts with '^'.
+
+  // We don't use snprintf or strncpy, as they trigger a warning when
+  // compiled with VC++ 8.0.
+  memcpy(buffer, regex, len);
+  buffer += len;
+
+  if (len == 0 || regex[len - 1] != '$')
+    *buffer++ = '$';  // Makes sure full_pattern_ ends with '$'.
+
+  *buffer = '\0';
+}
+
+#endif  // GTEST_USES_POSIX_RE
+
+const char kUnknownFile[] = "unknown file";
+
+// Formats a source file path and a line number as they would appear
+// in an error message from the compiler used to compile this code.
+GTEST_API_ ::std::string FormatFileLocation(const char* file, int line) {
+  const std::string file_name(file == NULL ? kUnknownFile : file);
+
+  if (line < 0) {
+    return file_name + ":";
+  }
+#ifdef _MSC_VER
+  return file_name + "(" + StreamableToString(line) + "):";
+#else
+  return file_name + ":" + StreamableToString(line) + ":";
+#endif  // _MSC_VER
+}
+
+// Formats a file location for compiler-independent XML output.
+// Although this function is not platform dependent, we put it next to
+// FormatFileLocation in order to contrast the two functions.
+// Note that FormatCompilerIndependentFileLocation() does NOT append colon
+// to the file location it produces, unlike FormatFileLocation().
+GTEST_API_ ::std::string FormatCompilerIndependentFileLocation(
+    const char* file, int line) {
+  const std::string file_name(file == NULL ? kUnknownFile : file);
+
+  if (line < 0)
+    return file_name;
+  else
+    return file_name + ":" + StreamableToString(line);
+}
+
+
+GTestLog::GTestLog(GTestLogSeverity severity, const char* file, int line)
+    : severity_(severity) {
+  const char* const marker =
+      severity == GTEST_INFO ?    "[  INFO ]" :
+      severity == GTEST_WARNING ? "[WARNING]" :
+      severity == GTEST_ERROR ?   "[ ERROR ]" : "[ FATAL ]";
+  GetStream() << ::std::endl << marker << " "
+              << FormatFileLocation(file, line).c_str() << ": ";
+}
+
+// Flushes the buffers and, if severity is GTEST_FATAL, aborts the program.
+GTestLog::~GTestLog() {
+  GetStream() << ::std::endl;
+  if (severity_ == GTEST_FATAL) {
+    fflush(stderr);
+    posix::Abort();
+  }
+}
+// Disable Microsoft deprecation warnings for POSIX functions called from
+// this class (creat, dup, dup2, and close)
+#ifdef _MSC_VER
+# pragma warning(push)
+# pragma warning(disable: 4996)
+#endif  // _MSC_VER
+
+#if GTEST_HAS_STREAM_REDIRECTION
+
+// Object that captures an output stream (stdout/stderr).
+class CapturedStream {
+ public:
+  // The ctor redirects the stream to a temporary file.
+  explicit CapturedStream(int fd) : fd_(fd), uncaptured_fd_(dup(fd)) {
+# if GTEST_OS_WINDOWS
+    char temp_dir_path[MAX_PATH + 1] = { '\0' };  // NOLINT
+    char temp_file_path[MAX_PATH + 1] = { '\0' };  // NOLINT
+
+    ::GetTempPathA(sizeof(temp_dir_path), temp_dir_path);
+    const UINT success = ::GetTempFileNameA(temp_dir_path,
+                                            "gtest_redir",
+                                            0,  // Generate unique file name.
+                                            temp_file_path);
+    GTEST_CHECK_(success != 0)
+        << "Unable to create a temporary file in " << temp_dir_path;
+    const int captured_fd = creat(temp_file_path, _S_IREAD | _S_IWRITE);
+    GTEST_CHECK_(captured_fd != -1) << "Unable to open temporary file "
+                                    << temp_file_path;
+    filename_ = temp_file_path;
+# else
+    // There's no guarantee that a test has write access to the current
+    // directory, so we create the temporary file in the /tmp directory
+    // instead. We use /tmp on most systems, and /sdcard on Android.
+    // That's because Android doesn't have /tmp.
+#  if GTEST_OS_LINUX_ANDROID
+    // Note: Android applications are expected to call the framework's
+    // Context.getExternalStorageDirectory() method through JNI to get
+    // the location of the world-writable SD Card directory. However,
+    // this requires a Context handle, which cannot be retrieved
+    // globally from native code. Doing so also precludes running the
+    // code as part of a regular standalone executable, which doesn't
+    // run in a Dalvik process (e.g. when running it through 'adb shell').
+    //
+    // The location /sdcard is directly accessible from native code
+    // and is the only location (unofficially) supported by the Android
+    // team. It's generally a symlink to the real SD Card mount point
+    // which can be /mnt/sdcard, /mnt/sdcard0, /system/media/sdcard, or
+    // other OEM-customized locations. Never rely on these, and always
+    // use /sdcard.
+    char name_template[] = "/sdcard/gtest_captured_stream.XXXXXX";
+#  else
+    char name_template[] = "/tmp/captured_stream.XXXXXX";
+#  endif  // GTEST_OS_LINUX_ANDROID
+    const int captured_fd = mkstemp(name_template);
+    filename_ = name_template;
+# endif  // GTEST_OS_WINDOWS
+    fflush(NULL);
+    dup2(captured_fd, fd_);
+    close(captured_fd);
+  }
+
+  ~CapturedStream() {
+    remove(filename_.c_str());
+  }
+
+  std::string GetCapturedString() {
+    if (uncaptured_fd_ != -1) {
+      // Restores the original stream.
+      fflush(NULL);
+      dup2(uncaptured_fd_, fd_);
+      close(uncaptured_fd_);
+      uncaptured_fd_ = -1;
+    }
+
+    FILE* const file = posix::FOpen(filename_.c_str(), "r");
+    const std::string content = ReadEntireFile(file);
+    posix::FClose(file);
+    return content;
+  }
+
+ private:
+  // Reads the entire content of a file as an std::string.
+  static std::string ReadEntireFile(FILE* file);
+
+  // Returns the size (in bytes) of a file.
+  static size_t GetFileSize(FILE* file);
+
+  const int fd_;  // A stream to capture.
+  int uncaptured_fd_;
+  // Name of the temporary file holding the stderr output.
+  ::std::string filename_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(CapturedStream);
+};
+
+// Returns the size (in bytes) of a file.
+size_t CapturedStream::GetFileSize(FILE* file) {
+  fseek(file, 0, SEEK_END);
+  return static_cast<size_t>(ftell(file));
+}
+
+// Reads the entire content of a file as a string.
+std::string CapturedStream::ReadEntireFile(FILE* file) {
+  const size_t file_size = GetFileSize(file);
+  char* const buffer = new char[file_size];
+
+  size_t bytes_last_read = 0;  // # of bytes read in the last fread()
+  size_t bytes_read = 0;       // # of bytes read so far
+
+  fseek(file, 0, SEEK_SET);
+
+  // Keeps reading the file until we cannot read further or the
+  // pre-determined file size is reached.
+  do {
+    bytes_last_read = fread(buffer+bytes_read, 1, file_size-bytes_read, file);
+    bytes_read += bytes_last_read;
+  } while (bytes_last_read > 0 && bytes_read < file_size);
+
+  const std::string content(buffer, bytes_read);
+  delete[] buffer;
+
+  return content;
+}
+
+# ifdef _MSC_VER
+#  pragma warning(pop)
+# endif  // _MSC_VER
+
+static CapturedStream* g_captured_stderr = NULL;
+static CapturedStream* g_captured_stdout = NULL;
+
+// Starts capturing an output stream (stdout/stderr).
+void CaptureStream(int fd, const char* stream_name, CapturedStream** stream) {
+  if (*stream != NULL) {
+    GTEST_LOG_(FATAL) << "Only one " << stream_name
+                      << " capturer can exist at a time.";
+  }
+  *stream = new CapturedStream(fd);
+}
+
+// Stops capturing the output stream and returns the captured string.
+std::string GetCapturedStream(CapturedStream** captured_stream) {
+  const std::string content = (*captured_stream)->GetCapturedString();
+
+  delete *captured_stream;
+  *captured_stream = NULL;
+
+  return content;
+}
+
+// Starts capturing stdout.
+void CaptureStdout() {
+  CaptureStream(kStdOutFileno, "stdout", &g_captured_stdout);
+}
+
+// Starts capturing stderr.
+void CaptureStderr() {
+  CaptureStream(kStdErrFileno, "stderr", &g_captured_stderr);
+}
+
+// Stops capturing stdout and returns the captured string.
+std::string GetCapturedStdout() {
+  return GetCapturedStream(&g_captured_stdout);
+}
+
+// Stops capturing stderr and returns the captured string.
+std::string GetCapturedStderr() {
+  return GetCapturedStream(&g_captured_stderr);
+}
+
+#endif  // GTEST_HAS_STREAM_REDIRECTION
+
+#if GTEST_HAS_DEATH_TEST
+
+// A copy of all command line arguments.  Set by InitGoogleTest().
+::std::vector<testing::internal::string> g_argvs;
+
+static const ::std::vector<testing::internal::string>* g_injected_test_argvs =
+                                        NULL;  // Owned.
+
+void SetInjectableArgvs(const ::std::vector<testing::internal::string>* argvs) {
+  if (g_injected_test_argvs != argvs)
+    delete g_injected_test_argvs;
+  g_injected_test_argvs = argvs;
+}
+
+const ::std::vector<testing::internal::string>& GetInjectableArgvs() {
+  if (g_injected_test_argvs != NULL) {
+    return *g_injected_test_argvs;
+  }
+  return g_argvs;
+}
+#endif  // GTEST_HAS_DEATH_TEST
+
+#if GTEST_OS_WINDOWS_MOBILE
+namespace posix {
+void Abort() {
+  DebugBreak();
+  TerminateProcess(GetCurrentProcess(), 1);
+}
+}  // namespace posix
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+// Returns the name of the environment variable corresponding to the
+// given flag.  For example, FlagToEnvVar("foo") will return
+// "GTEST_FOO" in the open-source version.
+static std::string FlagToEnvVar(const char* flag) {
+  const std::string full_flag =
+      (Message() << GTEST_FLAG_PREFIX_ << flag).GetString();
+
+  Message env_var;
+  for (size_t i = 0; i != full_flag.length(); i++) {
+    env_var << ToUpper(full_flag.c_str()[i]);
+  }
+
+  return env_var.GetString();
+}
+
+// Parses 'str' for a 32-bit signed integer.  If successful, writes
+// the result to *value and returns true; otherwise leaves *value
+// unchanged and returns false.
+bool ParseInt32(const Message& src_text, const char* str, Int32* value) {
+  // Parses the environment variable as a decimal integer.
+  char* end = NULL;
+  const long long_value = strtol(str, &end, 10);  // NOLINT
+
+  // Has strtol() consumed all characters in the string?
+  if (*end != '\0') {
+    // No - an invalid character was encountered.
+    Message msg;
+    msg << "WARNING: " << src_text
+        << " is expected to be a 32-bit integer, but actually"
+        << " has value \"" << str << "\".\n";
+    printf("%s", msg.GetString().c_str());
+    fflush(stdout);
+    return false;
+  }
+
+  // Is the parsed value in the range of an Int32?
+  const Int32 result = static_cast<Int32>(long_value);
+  if (long_value == LONG_MAX || long_value == LONG_MIN ||
+      // The parsed value overflows as a long.  (strtol() returns
+      // LONG_MAX or LONG_MIN when the input overflows.)
+      result != long_value
+      // The parsed value overflows as an Int32.
+      ) {
+    Message msg;
+    msg << "WARNING: " << src_text
+        << " is expected to be a 32-bit integer, but actually"
+        << " has value " << str << ", which overflows.\n";
+    printf("%s", msg.GetString().c_str());
+    fflush(stdout);
+    return false;
+  }
+
+  *value = result;
+  return true;
+}
+
+// Reads and returns the Boolean environment variable corresponding to
+// the given flag; if it's not set, returns default_value.
+//
+// The value is considered true iff it's not "0".
+bool BoolFromGTestEnv(const char* flag, bool default_value) {
+  const std::string env_var = FlagToEnvVar(flag);
+  const char* const string_value = posix::GetEnv(env_var.c_str());
+  return string_value == NULL ?
+      default_value : strcmp(string_value, "0") != 0;
+}
+
+// Reads and returns a 32-bit integer stored in the environment
+// variable corresponding to the given flag; if it isn't set or
+// doesn't represent a valid 32-bit integer, returns default_value.
+Int32 Int32FromGTestEnv(const char* flag, Int32 default_value) {
+  const std::string env_var = FlagToEnvVar(flag);
+  const char* const string_value = posix::GetEnv(env_var.c_str());
+  if (string_value == NULL) {
+    // The environment variable is not set.
+    return default_value;
+  }
+
+  Int32 result = default_value;
+  if (!ParseInt32(Message() << "Environment variable " << env_var,
+                  string_value, &result)) {
+    printf("The default value %s is used.\n",
+           (Message() << default_value).GetString().c_str());
+    fflush(stdout);
+    return default_value;
+  }
+
+  return result;
+}
+
+// Reads and returns the string environment variable corresponding to
+// the given flag; if it's not set, returns default_value.
+const char* StringFromGTestEnv(const char* flag, const char* default_value) {
+  const std::string env_var = FlagToEnvVar(flag);
+  const char* const value = posix::GetEnv(env_var.c_str());
+  return value == NULL ? default_value : value;
+}
+
+}  // namespace internal
+}  // namespace testing
+// Copyright 2007, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+// Google Test - The Google C++ Testing Framework
+//
+// This file implements a universal value printer that can print a
+// value of any type T:
+//
+//   void ::testing::internal::UniversalPrinter<T>::Print(value, ostream_ptr);
+//
+// It uses the << operator when possible, and prints the bytes in the
+// object otherwise.  A user can override its behavior for a class
+// type Foo by defining either operator<<(::std::ostream&, const Foo&)
+// or void PrintTo(const Foo&, ::std::ostream*) in the namespace that
+// defines Foo.
+
+#include <ctype.h>
+#include <stdio.h>
+#include <ostream>  // NOLINT
+#include <string>
+
+namespace testing {
+
+namespace {
+
+using ::std::ostream;
+
+// Prints a segment of bytes in the given object.
+void PrintByteSegmentInObjectTo(const unsigned char* obj_bytes, size_t start,
+                                size_t count, ostream* os) {
+  char text[5] = "";
+  for (size_t i = 0; i != count; i++) {
+    const size_t j = start + i;
+    if (i != 0) {
+      // Organizes the bytes into groups of 2 for easy parsing by
+      // human.
+      if ((j % 2) == 0)
+        *os << ' ';
+      else
+        *os << '-';
+    }
+    GTEST_SNPRINTF_(text, sizeof(text), "%02X", obj_bytes[j]);
+    *os << text;
+  }
+}
+
+// Prints the bytes in the given value to the given ostream.
+void PrintBytesInObjectToImpl(const unsigned char* obj_bytes, size_t count,
+                              ostream* os) {
+  // Tells the user how big the object is.
+  *os << count << "-byte object <";
+
+  const size_t kThreshold = 132;
+  const size_t kChunkSize = 64;
+  // If the object size is bigger than kThreshold, we'll have to omit
+  // some details by printing only the first and the last kChunkSize
+  // bytes.
+  // TODO(wan): let the user control the threshold using a flag.
+  if (count < kThreshold) {
+    PrintByteSegmentInObjectTo(obj_bytes, 0, count, os);
+  } else {
+    PrintByteSegmentInObjectTo(obj_bytes, 0, kChunkSize, os);
+    *os << " ... ";
+    // Rounds up to 2-byte boundary.
+    const size_t resume_pos = (count - kChunkSize + 1)/2*2;
+    PrintByteSegmentInObjectTo(obj_bytes, resume_pos, count - resume_pos, os);
+  }
+  *os << ">";
+}
+
+}  // namespace
+
+namespace internal2 {
+
+// Delegates to PrintBytesInObjectToImpl() to print the bytes in the
+// given object.  The delegation simplifies the implementation, which
+// uses the << operator and thus is easier done outside of the
+// ::testing::internal namespace, which contains a << operator that
+// sometimes conflicts with the one in STL.
+void PrintBytesInObjectTo(const unsigned char* obj_bytes, size_t count,
+                          ostream* os) {
+  PrintBytesInObjectToImpl(obj_bytes, count, os);
+}
+
+}  // namespace internal2
+
+namespace internal {
+
+// Depending on the value of a char (or wchar_t), we print it in one
+// of three formats:
+//   - as is if it's a printable ASCII (e.g. 'a', '2', ' '),
+//   - as a hexidecimal escape sequence (e.g. '\x7F'), or
+//   - as a special escape sequence (e.g. '\r', '\n').
+enum CharFormat {
+  kAsIs,
+  kHexEscape,
+  kSpecialEscape
+};
+
+// Returns true if c is a printable ASCII character.  We test the
+// value of c directly instead of calling isprint(), which is buggy on
+// Windows Mobile.
+inline bool IsPrintableAscii(wchar_t c) {
+  return 0x20 <= c && c <= 0x7E;
+}
+
+// Prints a wide or narrow char c as a character literal without the
+// quotes, escaping it when necessary; returns how c was formatted.
+// The template argument UnsignedChar is the unsigned version of Char,
+// which is the type of c.
+template <typename UnsignedChar, typename Char>
+static CharFormat PrintAsCharLiteralTo(Char c, ostream* os) {
+  switch (static_cast<wchar_t>(c)) {
+    case L'\0':
+      *os << "\\0";
+      break;
+    case L'\'':
+      *os << "\\'";
+      break;
+    case L'\\':
+      *os << "\\\\";
+      break;
+    case L'\a':
+      *os << "\\a";
+      break;
+    case L'\b':
+      *os << "\\b";
+      break;
+    case L'\f':
+      *os << "\\f";
+      break;
+    case L'\n':
+      *os << "\\n";
+      break;
+    case L'\r':
+      *os << "\\r";
+      break;
+    case L'\t':
+      *os << "\\t";
+      break;
+    case L'\v':
+      *os << "\\v";
+      break;
+    default:
+      if (IsPrintableAscii(c)) {
+        *os << static_cast<char>(c);
+        return kAsIs;
+      } else {
+        *os << "\\x" + String::FormatHexInt(static_cast<UnsignedChar>(c));
+        return kHexEscape;
+      }
+  }
+  return kSpecialEscape;
+}
+
+// Prints a wchar_t c as if it's part of a string literal, escaping it when
+// necessary; returns how c was formatted.
+static CharFormat PrintAsStringLiteralTo(wchar_t c, ostream* os) {
+  switch (c) {
+    case L'\'':
+      *os << "'";
+      return kAsIs;
+    case L'"':
+      *os << "\\\"";
+      return kSpecialEscape;
+    default:
+      return PrintAsCharLiteralTo<wchar_t>(c, os);
+  }
+}
+
+// Prints a char c as if it's part of a string literal, escaping it when
+// necessary; returns how c was formatted.
+static CharFormat PrintAsStringLiteralTo(char c, ostream* os) {
+  return PrintAsStringLiteralTo(
+      static_cast<wchar_t>(static_cast<unsigned char>(c)), os);
+}
+
+// Prints a wide or narrow character c and its code.  '\0' is printed
+// as "'\\0'", other unprintable characters are also properly escaped
+// using the standard C++ escape sequence.  The template argument
+// UnsignedChar is the unsigned version of Char, which is the type of c.
+template <typename UnsignedChar, typename Char>
+void PrintCharAndCodeTo(Char c, ostream* os) {
+  // First, print c as a literal in the most readable form we can find.
+  *os << ((sizeof(c) > 1) ? "L'" : "'");
+  const CharFormat format = PrintAsCharLiteralTo<UnsignedChar>(c, os);
+  *os << "'";
+
+  // To aid user debugging, we also print c's code in decimal, unless
+  // it's 0 (in which case c was printed as '\\0', making the code
+  // obvious).
+  if (c == 0)
+    return;
+  *os << " (" << static_cast<int>(c);
+
+  // For more convenience, we print c's code again in hexidecimal,
+  // unless c was already printed in the form '\x##' or the code is in
+  // [1, 9].
+  if (format == kHexEscape || (1 <= c && c <= 9)) {
+    // Do nothing.
+  } else {
+    *os << ", 0x" << String::FormatHexInt(static_cast<UnsignedChar>(c));
+  }
+  *os << ")";
+}
+
+void PrintTo(unsigned char c, ::std::ostream* os) {
+  PrintCharAndCodeTo<unsigned char>(c, os);
+}
+void PrintTo(signed char c, ::std::ostream* os) {
+  PrintCharAndCodeTo<unsigned char>(c, os);
+}
+
+// Prints a wchar_t as a symbol if it is printable or as its internal
+// code otherwise and also as its code.  L'\0' is printed as "L'\\0'".
+void PrintTo(wchar_t wc, ostream* os) {
+  PrintCharAndCodeTo<wchar_t>(wc, os);
+}
+
+// Prints the given array of characters to the ostream.  CharType must be either
+// char or wchar_t.
+// The array starts at begin, the length is len, it may include '\0' characters
+// and may not be NUL-terminated.
+template <typename CharType>
+static void PrintCharsAsStringTo(
+    const CharType* begin, size_t len, ostream* os) {
+  const char* const kQuoteBegin = sizeof(CharType) == 1 ? "\"" : "L\"";
+  *os << kQuoteBegin;
+  bool is_previous_hex = false;
+  for (size_t index = 0; index < len; ++index) {
+    const CharType cur = begin[index];
+    if (is_previous_hex && IsXDigit(cur)) {
+      // Previous character is of '\x..' form and this character can be
+      // interpreted as another hexadecimal digit in its number. Break string to
+      // disambiguate.
+      *os << "\" " << kQuoteBegin;
+    }
+    is_previous_hex = PrintAsStringLiteralTo(cur, os) == kHexEscape;
+  }
+  *os << "\"";
+}
+
+// Prints a (const) char/wchar_t array of 'len' elements, starting at address
+// 'begin'.  CharType must be either char or wchar_t.
+template <typename CharType>
+static void UniversalPrintCharArray(
+    const CharType* begin, size_t len, ostream* os) {
+  // The code
+  //   const char kFoo[] = "foo";
+  // generates an array of 4, not 3, elements, with the last one being '\0'.
+  //
+  // Therefore when printing a char array, we don't print the last element if
+  // it's '\0', such that the output matches the string literal as it's
+  // written in the source code.
+  if (len > 0 && begin[len - 1] == '\0') {
+    PrintCharsAsStringTo(begin, len - 1, os);
+    return;
+  }
+
+  // If, however, the last element in the array is not '\0', e.g.
+  //    const char kFoo[] = { 'f', 'o', 'o' };
+  // we must print the entire array.  We also print a message to indicate
+  // that the array is not NUL-terminated.
+  PrintCharsAsStringTo(begin, len, os);
+  *os << " (no terminating NUL)";
+}
+
+// Prints a (const) char array of 'len' elements, starting at address 'begin'.
+void UniversalPrintArray(const char* begin, size_t len, ostream* os) {
+  UniversalPrintCharArray(begin, len, os);
+}
+
+// Prints a (const) wchar_t array of 'len' elements, starting at address
+// 'begin'.
+void UniversalPrintArray(const wchar_t* begin, size_t len, ostream* os) {
+  UniversalPrintCharArray(begin, len, os);
+}
+
+// Prints the given C string to the ostream.
+void PrintTo(const char* s, ostream* os) {
+  if (s == NULL) {
+    *os << "NULL";
+  } else {
+    *os << ImplicitCast_<const void*>(s) << " pointing to ";
+    PrintCharsAsStringTo(s, strlen(s), os);
+  }
+}
+
+// MSVC compiler can be configured to define whar_t as a typedef
+// of unsigned short. Defining an overload for const wchar_t* in that case
+// would cause pointers to unsigned shorts be printed as wide strings,
+// possibly accessing more memory than intended and causing invalid
+// memory accesses. MSVC defines _NATIVE_WCHAR_T_DEFINED symbol when
+// wchar_t is implemented as a native type.
+#if !defined(_MSC_VER) || defined(_NATIVE_WCHAR_T_DEFINED)
+// Prints the given wide C string to the ostream.
+void PrintTo(const wchar_t* s, ostream* os) {
+  if (s == NULL) {
+    *os << "NULL";
+  } else {
+    *os << ImplicitCast_<const void*>(s) << " pointing to ";
+    PrintCharsAsStringTo(s, wcslen(s), os);
+  }
+}
+#endif  // wchar_t is native
+
+// Prints a ::string object.
+#if GTEST_HAS_GLOBAL_STRING
+void PrintStringTo(const ::string& s, ostream* os) {
+  PrintCharsAsStringTo(s.data(), s.size(), os);
+}
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+void PrintStringTo(const ::std::string& s, ostream* os) {
+  PrintCharsAsStringTo(s.data(), s.size(), os);
+}
+
+// Prints a ::wstring object.
+#if GTEST_HAS_GLOBAL_WSTRING
+void PrintWideStringTo(const ::wstring& s, ostream* os) {
+  PrintCharsAsStringTo(s.data(), s.size(), os);
+}
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+#if GTEST_HAS_STD_WSTRING
+void PrintWideStringTo(const ::std::wstring& s, ostream* os) {
+  PrintCharsAsStringTo(s.data(), s.size(), os);
+}
+#endif  // GTEST_HAS_STD_WSTRING
+
+}  // namespace internal
+
+}  // namespace testing
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: mheule@google.com (Markus Heule)
+//
+// The Google C++ Testing Framework (Google Test)
+
+
+// Indicates that this translation unit is part of Google Test's
+// implementation.  It must come before gtest-internal-inl.h is
+// included, or there will be a compiler error.  This trick is to
+// prevent a user from accidentally including gtest-internal-inl.h in
+// his code.
+#define GTEST_IMPLEMENTATION_ 1
+#undef GTEST_IMPLEMENTATION_
+
+namespace testing {
+
+using internal::GetUnitTestImpl;
+
+// Gets the summary of the failure message by omitting the stack trace
+// in it.
+std::string TestPartResult::ExtractSummary(const char* message) {
+  const char* const stack_trace = strstr(message, internal::kStackTraceMarker);
+  return stack_trace == NULL ? message :
+      std::string(message, stack_trace);
+}
+
+// Prints a TestPartResult object.
+std::ostream& operator<<(std::ostream& os, const TestPartResult& result) {
+  return os
+      << result.file_name() << ":" << result.line_number() << ": "
+      << (result.type() == TestPartResult::kSuccess ? "Success" :
+          result.type() == TestPartResult::kFatalFailure ? "Fatal failure" :
+          "Non-fatal failure") << ":\n"
+      << result.message() << std::endl;
+}
+
+// Appends a TestPartResult to the array.
+void TestPartResultArray::Append(const TestPartResult& result) {
+  array_.push_back(result);
+}
+
+// Returns the TestPartResult at the given index (0-based).
+const TestPartResult& TestPartResultArray::GetTestPartResult(int index) const {
+  if (index < 0 || index >= size()) {
+    printf("\nInvalid index (%d) into TestPartResultArray.\n", index);
+    internal::posix::Abort();
+  }
+
+  return array_[index];
+}
+
+// Returns the number of TestPartResult objects in the array.
+int TestPartResultArray::size() const {
+  return static_cast<int>(array_.size());
+}
+
+namespace internal {
+
+HasNewFatalFailureHelper::HasNewFatalFailureHelper()
+    : has_new_fatal_failure_(false),
+      original_reporter_(GetUnitTestImpl()->
+                         GetTestPartResultReporterForCurrentThread()) {
+  GetUnitTestImpl()->SetTestPartResultReporterForCurrentThread(this);
+}
+
+HasNewFatalFailureHelper::~HasNewFatalFailureHelper() {
+  GetUnitTestImpl()->SetTestPartResultReporterForCurrentThread(
+      original_reporter_);
+}
+
+void HasNewFatalFailureHelper::ReportTestPartResult(
+    const TestPartResult& result) {
+  if (result.fatally_failed())
+    has_new_fatal_failure_ = true;
+  original_reporter_->ReportTestPartResult(result);
+}
+
+}  // namespace internal
+
+}  // namespace testing
+// Copyright 2008 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+
+namespace testing {
+namespace internal {
+
+#if GTEST_HAS_TYPED_TEST_P
+
+// Skips to the first non-space char in str. Returns an empty string if str
+// contains only whitespace characters.
+static const char* SkipSpaces(const char* str) {
+  while (IsSpace(*str))
+    str++;
+  return str;
+}
+
+// Verifies that registered_tests match the test names in
+// defined_test_names_; returns registered_tests if successful, or
+// aborts the program otherwise.
+const char* TypedTestCasePState::VerifyRegisteredTestNames(
+    const char* file, int line, const char* registered_tests) {
+  typedef ::std::set<const char*>::const_iterator DefinedTestIter;
+  registered_ = true;
+
+  // Skip initial whitespace in registered_tests since some
+  // preprocessors prefix stringizied literals with whitespace.
+  registered_tests = SkipSpaces(registered_tests);
+
+  Message errors;
+  ::std::set<std::string> tests;
+  for (const char* names = registered_tests; names != NULL;
+       names = SkipComma(names)) {
+    const std::string name = GetPrefixUntilComma(names);
+    if (tests.count(name) != 0) {
+      errors << "Test " << name << " is listed more than once.\n";
+      continue;
+    }
+
+    bool found = false;
+    for (DefinedTestIter it = defined_test_names_.begin();
+         it != defined_test_names_.end();
+         ++it) {
+      if (name == *it) {
+        found = true;
+        break;
+      }
+    }
+
+    if (found) {
+      tests.insert(name);
+    } else {
+      errors << "No test named " << name
+             << " can be found in this test case.\n";
+    }
+  }
+
+  for (DefinedTestIter it = defined_test_names_.begin();
+       it != defined_test_names_.end();
+       ++it) {
+    if (tests.count(*it) == 0) {
+      errors << "You forgot to list test " << *it << ".\n";
+    }
+  }
+
+  const std::string& errors_str = errors.GetString();
+  if (errors_str != "") {
+    fprintf(stderr, "%s %s", FormatFileLocation(file, line).c_str(),
+            errors_str.c_str());
+    fflush(stderr);
+    posix::Abort();
+  }
+
+  return registered_tests;
+}
+
+#endif  // GTEST_HAS_TYPED_TEST_P
+
+}  // namespace internal
+}  // namespace testing
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h b/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
new file mode 120000
index 0000000000..48d39090f1
--- /dev/null
+++ b/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
@@ -0,0 +1 @@
+gtest.h
\ No newline at end of file
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest.h b/lib/kokkos/tpls/gtest/gtest/gtest.h
new file mode 100644
index 0000000000..8f98f330ed
--- /dev/null
+++ b/lib/kokkos/tpls/gtest/gtest/gtest.h
@@ -0,0 +1,20065 @@
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file defines the public API for Google Test.  It should be
+// included by any test program that uses Google Test.
+//
+// IMPORTANT NOTE: Due to limitation of the C++ language, we have to
+// leave some internal implementation details in this header file.
+// They are clearly marked by comments like this:
+//
+//   // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+//
+// Such code is NOT meant to be used by a user directly, and is subject
+// to CHANGE WITHOUT NOTICE.  Therefore DO NOT DEPEND ON IT in a user
+// program!
+//
+// Acknowledgment: Google Test borrowed the idea of automatic test
+// registration from Barthelemy Dagenais' (barthelemy@prologique.com)
+// easyUnit framework.
+
+#ifdef __GNUC__
+#pragma GCC system_header
+#endif
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_H_
+#define GTEST_INCLUDE_GTEST_GTEST_H_
+
+#include <limits>
+#include <ostream>
+#include <vector>
+
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file declares functions and macros used internally by
+// Google Test.  They are subject to change without notice.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
+
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: wan@google.com (Zhanyong Wan)
+//
+// Low-level types and utilities for porting Google Test to various
+// platforms.  They are subject to change without notice.  DO NOT USE
+// THEM IN USER CODE.
+//
+// This file is fundamental to Google Test.  All other Google Test source
+// files are expected to #include this.  Therefore, it cannot #include
+// any other Google Test header.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
+
+// The user can define the following macros in the build script to
+// control Google Test's behavior.  If the user doesn't define a macro
+// in this list, Google Test will define it.
+//
+//   GTEST_HAS_CLONE          - Define it to 1/0 to indicate that clone(2)
+//                              is/isn't available.
+//   GTEST_HAS_EXCEPTIONS     - Define it to 1/0 to indicate that exceptions
+//                              are enabled.
+//   GTEST_HAS_GLOBAL_STRING  - Define it to 1/0 to indicate that ::string
+//                              is/isn't available (some systems define
+//                              ::string, which is different to std::string).
+//   GTEST_HAS_GLOBAL_WSTRING - Define it to 1/0 to indicate that ::string
+//                              is/isn't available (some systems define
+//                              ::wstring, which is different to std::wstring).
+//   GTEST_HAS_POSIX_RE       - Define it to 1/0 to indicate that POSIX regular
+//                              expressions are/aren't available.
+//   GTEST_HAS_PTHREAD        - Define it to 1/0 to indicate that <pthread.h>
+//                              is/isn't available.
+//   GTEST_HAS_RTTI           - Define it to 1/0 to indicate that RTTI is/isn't
+//                              enabled.
+//   GTEST_HAS_STD_WSTRING    - Define it to 1/0 to indicate that
+//                              std::wstring does/doesn't work (Google Test can
+//                              be used where std::wstring is unavailable).
+//   GTEST_HAS_TR1_TUPLE      - Define it to 1/0 to indicate tr1::tuple
+//                              is/isn't available.
+//   GTEST_HAS_SEH            - Define it to 1/0 to indicate whether the
+//                              compiler supports Microsoft's "Structured
+//                              Exception Handling".
+//   GTEST_HAS_STREAM_REDIRECTION
+//                            - Define it to 1/0 to indicate whether the
+//                              platform supports I/O stream redirection using
+//                              dup() and dup2().
+//   GTEST_USE_OWN_TR1_TUPLE  - Define it to 1/0 to indicate whether Google
+//                              Test's own tr1 tuple implementation should be
+//                              used.  Unused when the user sets
+//                              GTEST_HAS_TR1_TUPLE to 0.
+//   GTEST_LANG_CXX11         - Define it to 1/0 to indicate that Google Test
+//                              is building in C++11/C++98 mode.
+//   GTEST_LINKED_AS_SHARED_LIBRARY
+//                            - Define to 1 when compiling tests that use
+//                              Google Test as a shared library (known as
+//                              DLL on Windows).
+//   GTEST_CREATE_SHARED_LIBRARY
+//                            - Define to 1 when compiling Google Test itself
+//                              as a shared library.
+
+// This header defines the following utilities:
+//
+// Macros indicating the current platform (defined to 1 if compiled on
+// the given platform; otherwise undefined):
+//   GTEST_OS_AIX      - IBM AIX
+//   GTEST_OS_CYGWIN   - Cygwin
+//   GTEST_OS_HPUX     - HP-UX
+//   GTEST_OS_LINUX    - Linux
+//     GTEST_OS_LINUX_ANDROID - Google Android
+//   GTEST_OS_MAC      - Mac OS X
+//     GTEST_OS_IOS    - iOS
+//       GTEST_OS_IOS_SIMULATOR - iOS simulator
+//   GTEST_OS_NACL     - Google Native Client (NaCl)
+//   GTEST_OS_OPENBSD  - OpenBSD
+//   GTEST_OS_QNX      - QNX
+//   GTEST_OS_SOLARIS  - Sun Solaris
+//   GTEST_OS_SYMBIAN  - Symbian
+//   GTEST_OS_WINDOWS  - Windows (Desktop, MinGW, or Mobile)
+//     GTEST_OS_WINDOWS_DESKTOP  - Windows Desktop
+//     GTEST_OS_WINDOWS_MINGW    - MinGW
+//     GTEST_OS_WINDOWS_MOBILE   - Windows Mobile
+//   GTEST_OS_ZOS      - z/OS
+//
+// Among the platforms, Cygwin, Linux, Max OS X, and Windows have the
+// most stable support.  Since core members of the Google Test project
+// don't have access to other platforms, support for them may be less
+// stable.  If you notice any problems on your platform, please notify
+// googletestframework@googlegroups.com (patches for fixing them are
+// even more welcome!).
+//
+// Note that it is possible that none of the GTEST_OS_* macros are defined.
+//
+// Macros indicating available Google Test features (defined to 1 if
+// the corresponding feature is supported; otherwise undefined):
+//   GTEST_HAS_COMBINE      - the Combine() function (for value-parameterized
+//                            tests)
+//   GTEST_HAS_DEATH_TEST   - death tests
+//   GTEST_HAS_PARAM_TEST   - value-parameterized tests
+//   GTEST_HAS_TYPED_TEST   - typed tests
+//   GTEST_HAS_TYPED_TEST_P - type-parameterized tests
+//   GTEST_USES_POSIX_RE    - enhanced POSIX regex is used. Do not confuse with
+//                            GTEST_HAS_POSIX_RE (see above) which users can
+//                            define themselves.
+//   GTEST_USES_SIMPLE_RE   - our own simple regex is used;
+//                            the above two are mutually exclusive.
+//   GTEST_CAN_COMPARE_NULL - accepts untyped NULL in EXPECT_EQ().
+//
+// Macros for basic C++ coding:
+//   GTEST_AMBIGUOUS_ELSE_BLOCKER_ - for disabling a gcc warning.
+//   GTEST_ATTRIBUTE_UNUSED_  - declares that a class' instances or a
+//                              variable don't have to be used.
+//   GTEST_DISALLOW_ASSIGN_   - disables operator=.
+//   GTEST_DISALLOW_COPY_AND_ASSIGN_ - disables copy ctor and operator=.
+//   GTEST_MUST_USE_RESULT_   - declares that a function's result must be used.
+//
+// Synchronization:
+//   Mutex, MutexLock, ThreadLocal, GetThreadCount()
+//                  - synchronization primitives.
+//   GTEST_IS_THREADSAFE - defined to 1 to indicate that the above
+//                         synchronization primitives have real implementations
+//                         and Google Test is thread-safe; or 0 otherwise.
+//
+// Template meta programming:
+//   is_pointer     - as in TR1; needed on Symbian and IBM XL C/C++ only.
+//   IteratorTraits - partial implementation of std::iterator_traits, which
+//                    is not available in libCstd when compiled with Sun C++.
+//
+// Smart pointers:
+//   scoped_ptr     - as in TR2.
+//
+// Regular expressions:
+//   RE             - a simple regular expression class using the POSIX
+//                    Extended Regular Expression syntax on UNIX-like
+//                    platforms, or a reduced regular exception syntax on
+//                    other platforms, including Windows.
+//
+// Logging:
+//   GTEST_LOG_()   - logs messages at the specified severity level.
+//   LogToStderr()  - directs all log messages to stderr.
+//   FlushInfoLog() - flushes informational log messages.
+//
+// Stdout and stderr capturing:
+//   CaptureStdout()     - starts capturing stdout.
+//   GetCapturedStdout() - stops capturing stdout and returns the captured
+//                         string.
+//   CaptureStderr()     - starts capturing stderr.
+//   GetCapturedStderr() - stops capturing stderr and returns the captured
+//                         string.
+//
+// Integer types:
+//   TypeWithSize   - maps an integer to a int type.
+//   Int32, UInt32, Int64, UInt64, TimeInMillis
+//                  - integers of known sizes.
+//   BiggestInt     - the biggest signed integer type.
+//
+// Command-line utilities:
+//   GTEST_FLAG()       - references a flag.
+//   GTEST_DECLARE_*()  - declares a flag.
+//   GTEST_DEFINE_*()   - defines a flag.
+//   GetInjectableArgvs() - returns the command line as a vector of strings.
+//
+// Environment variable utilities:
+//   GetEnv()             - gets the value of an environment variable.
+//   BoolFromGTestEnv()   - parses a bool environment variable.
+//   Int32FromGTestEnv()  - parses an Int32 environment variable.
+//   StringFromGTestEnv() - parses a string environment variable.
+
+#include <ctype.h>   // for isspace, etc
+#include <stddef.h>  // for ptrdiff_t
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
+#ifndef _WIN32_WCE
+# include <sys/types.h>
+# include <sys/stat.h>
+#endif  // !_WIN32_WCE
+
+#if defined __APPLE__
+# include <AvailabilityMacros.h>
+# include <TargetConditionals.h>
+#endif
+
+#include <iostream>  // NOLINT
+#include <sstream>  // NOLINT
+#include <string>  // NOLINT
+
+#define GTEST_DEV_EMAIL_ "googletestframework@@googlegroups.com"
+#define GTEST_FLAG_PREFIX_ "gtest_"
+#define GTEST_FLAG_PREFIX_DASH_ "gtest-"
+#define GTEST_FLAG_PREFIX_UPPER_ "GTEST_"
+#define GTEST_NAME_ "Google Test"
+#define GTEST_PROJECT_URL_ "http://code.google.com/p/googletest/"
+
+// Determines the version of gcc that is used to compile this.
+#ifdef __GNUC__
+// 40302 means version 4.3.2.
+# define GTEST_GCC_VER_ \
+    (__GNUC__*10000 + __GNUC_MINOR__*100 + __GNUC_PATCHLEVEL__)
+#endif  // __GNUC__
+
+// Determines the platform on which Google Test is compiled.
+#ifdef __CYGWIN__
+# define GTEST_OS_CYGWIN 1
+#elif defined __SYMBIAN32__
+# define GTEST_OS_SYMBIAN 1
+#elif defined _WIN32
+# define GTEST_OS_WINDOWS 1
+# ifdef _WIN32_WCE
+#  define GTEST_OS_WINDOWS_MOBILE 1
+# elif defined(__MINGW__) || defined(__MINGW32__)
+#  define GTEST_OS_WINDOWS_MINGW 1
+# else
+#  define GTEST_OS_WINDOWS_DESKTOP 1
+# endif  // _WIN32_WCE
+#elif defined __APPLE__
+# define GTEST_OS_MAC 1
+# if TARGET_OS_IPHONE
+#  define GTEST_OS_IOS 1
+#  if TARGET_IPHONE_SIMULATOR
+#   define GTEST_OS_IOS_SIMULATOR 1
+#  endif
+# endif
+#elif defined __linux__
+# define GTEST_OS_LINUX 1
+# if defined __ANDROID__
+#  define GTEST_OS_LINUX_ANDROID 1
+# endif
+#elif defined __MVS__
+# define GTEST_OS_ZOS 1
+#elif defined(__sun) && defined(__SVR4)
+# define GTEST_OS_SOLARIS 1
+#elif defined(_AIX)
+# define GTEST_OS_AIX 1
+#elif defined(__hpux)
+# define GTEST_OS_HPUX 1
+#elif defined __native_client__
+# define GTEST_OS_NACL 1
+#elif defined __OpenBSD__
+# define GTEST_OS_OPENBSD 1
+#elif defined __QNX__
+# define GTEST_OS_QNX 1
+#endif  // __CYGWIN__
+
+#ifndef GTEST_LANG_CXX11
+// gcc and clang define __GXX_EXPERIMENTAL_CXX0X__ when
+// -std={c,gnu}++{0x,11} is passed.  The C++11 standard specifies a
+// value for __cplusplus, and recent versions of clang, gcc, and
+// probably other compilers set that too in C++11 mode.
+# if __GXX_EXPERIMENTAL_CXX0X__ || __cplusplus >= 201103L
+// Compiling in at least C++11 mode.
+#  define GTEST_LANG_CXX11 1
+# else
+#  define GTEST_LANG_CXX11 0
+# endif
+#endif
+
+// Brings in definitions for functions used in the testing::internal::posix
+// namespace (read, write, close, chdir, isatty, stat). We do not currently
+// use them on Windows Mobile.
+#if !GTEST_OS_WINDOWS
+// This assumes that non-Windows OSes provide unistd.h. For OSes where this
+// is not the case, we need to include headers that provide the functions
+// mentioned above.
+# include <unistd.h>
+# include <strings.h>
+#elif !GTEST_OS_WINDOWS_MOBILE
+# include <direct.h>
+# include <io.h>
+#endif
+
+#if GTEST_OS_LINUX_ANDROID
+// Used to define __ANDROID_API__ matching the target NDK API level.
+#  include <android/api-level.h>  // NOLINT
+#endif
+
+// Defines this to true iff Google Test can use POSIX regular expressions.
+#ifndef GTEST_HAS_POSIX_RE
+# if GTEST_OS_LINUX_ANDROID
+// On Android, <regex.h> is only available starting with Gingerbread.
+#  define GTEST_HAS_POSIX_RE (__ANDROID_API__ >= 9)
+# else
+#  define GTEST_HAS_POSIX_RE (!GTEST_OS_WINDOWS)
+# endif
+#endif
+
+#if GTEST_HAS_POSIX_RE
+
+// On some platforms, <regex.h> needs someone to define size_t, and
+// won't compile otherwise.  We can #include it here as we already
+// included <stdlib.h>, which is guaranteed to define size_t through
+// <stddef.h>.
+# include <regex.h>  // NOLINT
+
+# define GTEST_USES_POSIX_RE 1
+
+#elif GTEST_OS_WINDOWS
+
+// <regex.h> is not available on Windows.  Use our own simple regex
+// implementation instead.
+# define GTEST_USES_SIMPLE_RE 1
+
+#else
+
+// <regex.h> may not be available on this platform.  Use our own
+// simple regex implementation instead.
+# define GTEST_USES_SIMPLE_RE 1
+
+#endif  // GTEST_HAS_POSIX_RE
+
+#ifndef GTEST_HAS_EXCEPTIONS
+// The user didn't tell us whether exceptions are enabled, so we need
+// to figure it out.
+# if defined(_MSC_VER) || defined(__BORLANDC__)
+// MSVC's and C++Builder's implementations of the STL use the _HAS_EXCEPTIONS
+// macro to enable exceptions, so we'll do the same.
+// Assumes that exceptions are enabled by default.
+#  ifndef _HAS_EXCEPTIONS
+#   define _HAS_EXCEPTIONS 1
+#  endif  // _HAS_EXCEPTIONS
+#  define GTEST_HAS_EXCEPTIONS _HAS_EXCEPTIONS
+# elif defined(__GNUC__) && __EXCEPTIONS
+// gcc defines __EXCEPTIONS to 1 iff exceptions are enabled.
+#  define GTEST_HAS_EXCEPTIONS 1
+# elif defined(__SUNPRO_CC)
+// Sun Pro CC supports exceptions.  However, there is no compile-time way of
+// detecting whether they are enabled or not.  Therefore, we assume that
+// they are enabled unless the user tells us otherwise.
+#  define GTEST_HAS_EXCEPTIONS 1
+# elif defined(__IBMCPP__) && __EXCEPTIONS
+// xlC defines __EXCEPTIONS to 1 iff exceptions are enabled.
+#  define GTEST_HAS_EXCEPTIONS 1
+# elif defined(__HP_aCC)
+// Exception handling is in effect by default in HP aCC compiler. It has to
+// be turned of by +noeh compiler option if desired.
+#  define GTEST_HAS_EXCEPTIONS 1
+# else
+// For other compilers, we assume exceptions are disabled to be
+// conservative.
+#  define GTEST_HAS_EXCEPTIONS 0
+# endif  // defined(_MSC_VER) || defined(__BORLANDC__)
+#endif  // GTEST_HAS_EXCEPTIONS
+
+#if !defined(GTEST_HAS_STD_STRING)
+// Even though we don't use this macro any longer, we keep it in case
+// some clients still depend on it.
+# define GTEST_HAS_STD_STRING 1
+#elif !GTEST_HAS_STD_STRING
+// The user told us that ::std::string isn't available.
+# error "Google Test cannot be used where ::std::string isn't available."
+#endif  // !defined(GTEST_HAS_STD_STRING)
+
+#ifndef GTEST_HAS_GLOBAL_STRING
+// The user didn't tell us whether ::string is available, so we need
+// to figure it out.
+
+# define GTEST_HAS_GLOBAL_STRING 0
+
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+#ifndef GTEST_HAS_STD_WSTRING
+// The user didn't tell us whether ::std::wstring is available, so we need
+// to figure it out.
+// TODO(wan@google.com): uses autoconf to detect whether ::std::wstring
+//   is available.
+
+// Cygwin 1.7 and below doesn't support ::std::wstring.
+// Solaris' libc++ doesn't support it either.  Android has
+// no support for it at least as recent as Froyo (2.2).
+# define GTEST_HAS_STD_WSTRING \
+    (!(GTEST_OS_LINUX_ANDROID || GTEST_OS_CYGWIN || GTEST_OS_SOLARIS))
+
+#endif  // GTEST_HAS_STD_WSTRING
+
+#ifndef GTEST_HAS_GLOBAL_WSTRING
+// The user didn't tell us whether ::wstring is available, so we need
+// to figure it out.
+# define GTEST_HAS_GLOBAL_WSTRING \
+    (GTEST_HAS_STD_WSTRING && GTEST_HAS_GLOBAL_STRING)
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+// Determines whether RTTI is available.
+#ifndef GTEST_HAS_RTTI
+// The user didn't tell us whether RTTI is enabled, so we need to
+// figure it out.
+
+# ifdef _MSC_VER
+
+#  ifdef _CPPRTTI  // MSVC defines this macro iff RTTI is enabled.
+#   define GTEST_HAS_RTTI 1
+#  else
+#   define GTEST_HAS_RTTI 0
+#  endif
+
+// Starting with version 4.3.2, gcc defines __GXX_RTTI iff RTTI is enabled.
+# elif defined(__GNUC__) && (GTEST_GCC_VER_ >= 40302)
+
+#  ifdef __GXX_RTTI
+// When building against STLport with the Android NDK and with
+// -frtti -fno-exceptions, the build fails at link time with undefined
+// references to __cxa_bad_typeid. Note sure if STL or toolchain bug,
+// so disable RTTI when detected.
+#   if GTEST_OS_LINUX_ANDROID && defined(_STLPORT_MAJOR) && \
+       !defined(__EXCEPTIONS)
+#    define GTEST_HAS_RTTI 0
+#   else
+#    define GTEST_HAS_RTTI 1
+#   endif  // GTEST_OS_LINUX_ANDROID && __STLPORT_MAJOR && !__EXCEPTIONS
+#  else
+#   define GTEST_HAS_RTTI 0
+#  endif  // __GXX_RTTI
+
+// Clang defines __GXX_RTTI starting with version 3.0, but its manual recommends
+// using has_feature instead. has_feature(cxx_rtti) is supported since 2.7, the
+// first version with C++ support.
+# elif defined(__clang__)
+
+#  define GTEST_HAS_RTTI __has_feature(cxx_rtti)
+
+// Starting with version 9.0 IBM Visual Age defines __RTTI_ALL__ to 1 if
+// both the typeid and dynamic_cast features are present.
+# elif defined(__IBMCPP__) && (__IBMCPP__ >= 900)
+
+#  ifdef __RTTI_ALL__
+#   define GTEST_HAS_RTTI 1
+#  else
+#   define GTEST_HAS_RTTI 0
+#  endif
+
+# else
+
+// For all other compilers, we assume RTTI is enabled.
+#  define GTEST_HAS_RTTI 1
+
+# endif  // _MSC_VER
+
+#endif  // GTEST_HAS_RTTI
+
+// It's this header's responsibility to #include <typeinfo> when RTTI
+// is enabled.
+#if GTEST_HAS_RTTI
+# include <typeinfo>
+#endif
+
+// Determines whether Google Test can use the pthreads library.
+#ifndef GTEST_HAS_PTHREAD
+// The user didn't tell us explicitly, so we assume pthreads support is
+// available on Linux and Mac.
+//
+// To disable threading support in Google Test, add -DGTEST_HAS_PTHREAD=0
+// to your compiler flags.
+# define GTEST_HAS_PTHREAD (GTEST_OS_LINUX || GTEST_OS_MAC || GTEST_OS_HPUX \
+    || GTEST_OS_QNX)
+#endif  // GTEST_HAS_PTHREAD
+
+#if GTEST_HAS_PTHREAD
+// gtest-port.h guarantees to #include <pthread.h> when GTEST_HAS_PTHREAD is
+// true.
+# include <pthread.h>  // NOLINT
+
+// For timespec and nanosleep, used below.
+# include <time.h>  // NOLINT
+#endif
+
+// Determines whether Google Test can use tr1/tuple.  You can define
+// this macro to 0 to prevent Google Test from using tuple (any
+// feature depending on tuple with be disabled in this mode).
+#ifndef GTEST_HAS_TR1_TUPLE
+# if GTEST_OS_LINUX_ANDROID && defined(_STLPORT_MAJOR)
+// STLport, provided with the Android NDK, has neither <tr1/tuple> or <tuple>.
+#  define GTEST_HAS_TR1_TUPLE 0
+# else
+// The user didn't tell us not to do it, so we assume it's OK.
+#  define GTEST_HAS_TR1_TUPLE 1
+# endif
+#endif  // GTEST_HAS_TR1_TUPLE
+
+// Determines whether Google Test's own tr1 tuple implementation
+// should be used.
+#ifndef GTEST_USE_OWN_TR1_TUPLE
+// The user didn't tell us, so we need to figure it out.
+
+// We use our own TR1 tuple if we aren't sure the user has an
+// implementation of it already.  At this time, libstdc++ 4.0.0+ and
+// MSVC 2010 are the only mainstream standard libraries that come
+// with a TR1 tuple implementation.  NVIDIA's CUDA NVCC compiler
+// pretends to be GCC by defining __GNUC__ and friends, but cannot
+// compile GCC's tuple implementation.  MSVC 2008 (9.0) provides TR1
+// tuple in a 323 MB Feature Pack download, which we cannot assume the
+// user has.  QNX's QCC compiler is a modified GCC but it doesn't
+// support TR1 tuple.  libc++ only provides std::tuple, in C++11 mode,
+// and it can be used with some compilers that define __GNUC__.
+# if (defined(__GNUC__) && !defined(__CUDACC__) && (GTEST_GCC_VER_ >= 40000) \
+      && !GTEST_OS_QNX && !defined(_LIBCPP_VERSION)) || _MSC_VER >= 1600
+#  define GTEST_ENV_HAS_TR1_TUPLE_ 1
+# endif
+
+// C++11 specifies that <tuple> provides std::tuple. Use that if gtest is used
+// in C++11 mode and libstdc++ isn't very old (binaries targeting OS X 10.6
+// can build with clang but need to use gcc4.2's libstdc++).
+# if GTEST_LANG_CXX11 && (!defined(__GLIBCXX__) || __GLIBCXX__ > 20110325)
+#  define GTEST_ENV_HAS_STD_TUPLE_ 1
+# endif
+
+# if GTEST_ENV_HAS_TR1_TUPLE_ || GTEST_ENV_HAS_STD_TUPLE_
+#  define GTEST_USE_OWN_TR1_TUPLE 0
+# else
+#  define GTEST_USE_OWN_TR1_TUPLE 1
+# endif
+
+#endif  // GTEST_USE_OWN_TR1_TUPLE
+
+// To avoid conditional compilation everywhere, we make it
+// gtest-port.h's responsibility to #include the header implementing
+// tr1/tuple.
+#if GTEST_HAS_TR1_TUPLE
+
+# if GTEST_USE_OWN_TR1_TUPLE
+// This file was GENERATED by command:
+//     pump.py gtest-tuple.h.pump
+// DO NOT EDIT BY HAND!!!
+
+// Copyright 2009 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+// Implements a subset of TR1 tuple needed by Google Test and Google Mock.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
+
+#include <utility>  // For ::std::pair.
+
+// The compiler used in Symbian has a bug that prevents us from declaring the
+// tuple template as a friend (it complains that tuple is redefined).  This
+// hack bypasses the bug by declaring the members that should otherwise be
+// private as public.
+// Sun Studio versions < 12 also have the above bug.
+#if defined(__SYMBIAN32__) || (defined(__SUNPRO_CC) && __SUNPRO_CC < 0x590)
+# define GTEST_DECLARE_TUPLE_AS_FRIEND_ public:
+#else
+# define GTEST_DECLARE_TUPLE_AS_FRIEND_ \
+    template <GTEST_10_TYPENAMES_(U)> friend class tuple; \
+   private:
+#endif
+
+// GTEST_n_TUPLE_(T) is the type of an n-tuple.
+#define GTEST_0_TUPLE_(T) tuple<>
+#define GTEST_1_TUPLE_(T) tuple<T##0, void, void, void, void, void, void, \
+    void, void, void>
+#define GTEST_2_TUPLE_(T) tuple<T##0, T##1, void, void, void, void, void, \
+    void, void, void>
+#define GTEST_3_TUPLE_(T) tuple<T##0, T##1, T##2, void, void, void, void, \
+    void, void, void>
+#define GTEST_4_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, void, void, void, \
+    void, void, void>
+#define GTEST_5_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, void, void, \
+    void, void, void>
+#define GTEST_6_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, void, \
+    void, void, void>
+#define GTEST_7_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
+    void, void, void>
+#define GTEST_8_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
+    T##7, void, void>
+#define GTEST_9_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
+    T##7, T##8, void>
+#define GTEST_10_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
+    T##7, T##8, T##9>
+
+// GTEST_n_TYPENAMES_(T) declares a list of n typenames.
+#define GTEST_0_TYPENAMES_(T)
+#define GTEST_1_TYPENAMES_(T) typename T##0
+#define GTEST_2_TYPENAMES_(T) typename T##0, typename T##1
+#define GTEST_3_TYPENAMES_(T) typename T##0, typename T##1, typename T##2
+#define GTEST_4_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3
+#define GTEST_5_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4
+#define GTEST_6_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4, typename T##5
+#define GTEST_7_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4, typename T##5, typename T##6
+#define GTEST_8_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4, typename T##5, typename T##6, typename T##7
+#define GTEST_9_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4, typename T##5, typename T##6, \
+    typename T##7, typename T##8
+#define GTEST_10_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
+    typename T##3, typename T##4, typename T##5, typename T##6, \
+    typename T##7, typename T##8, typename T##9
+
+// In theory, defining stuff in the ::std namespace is undefined
+// behavior.  We can do this as we are playing the role of a standard
+// library vendor.
+namespace std {
+namespace tr1 {
+
+template <typename T0 = void, typename T1 = void, typename T2 = void,
+    typename T3 = void, typename T4 = void, typename T5 = void,
+    typename T6 = void, typename T7 = void, typename T8 = void,
+    typename T9 = void>
+class tuple;
+
+// Anything in namespace gtest_internal is Google Test's INTERNAL
+// IMPLEMENTATION DETAIL and MUST NOT BE USED DIRECTLY in user code.
+namespace gtest_internal {
+
+// ByRef<T>::type is T if T is a reference; otherwise it's const T&.
+template <typename T>
+struct ByRef { typedef const T& type; };  // NOLINT
+template <typename T>
+struct ByRef<T&> { typedef T& type; };  // NOLINT
+
+// A handy wrapper for ByRef.
+#define GTEST_BY_REF_(T) typename ::std::tr1::gtest_internal::ByRef<T>::type
+
+// AddRef<T>::type is T if T is a reference; otherwise it's T&.  This
+// is the same as tr1::add_reference<T>::type.
+template <typename T>
+struct AddRef { typedef T& type; };  // NOLINT
+template <typename T>
+struct AddRef<T&> { typedef T& type; };  // NOLINT
+
+// A handy wrapper for AddRef.
+#define GTEST_ADD_REF_(T) typename ::std::tr1::gtest_internal::AddRef<T>::type
+
+// A helper for implementing get<k>().
+template <int k> class Get;
+
+// A helper for implementing tuple_element<k, T>.  kIndexValid is true
+// iff k < the number of fields in tuple type T.
+template <bool kIndexValid, int kIndex, class Tuple>
+struct TupleElement;
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 0, GTEST_10_TUPLE_(T) > {
+  typedef T0 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 1, GTEST_10_TUPLE_(T) > {
+  typedef T1 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 2, GTEST_10_TUPLE_(T) > {
+  typedef T2 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 3, GTEST_10_TUPLE_(T) > {
+  typedef T3 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 4, GTEST_10_TUPLE_(T) > {
+  typedef T4 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 5, GTEST_10_TUPLE_(T) > {
+  typedef T5 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 6, GTEST_10_TUPLE_(T) > {
+  typedef T6 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 7, GTEST_10_TUPLE_(T) > {
+  typedef T7 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 8, GTEST_10_TUPLE_(T) > {
+  typedef T8 type;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct TupleElement<true, 9, GTEST_10_TUPLE_(T) > {
+  typedef T9 type;
+};
+
+}  // namespace gtest_internal
+
+template <>
+class tuple<> {
+ public:
+  tuple() {}
+  tuple(const tuple& /* t */)  {}
+  tuple& operator=(const tuple& /* t */) { return *this; }
+};
+
+template <GTEST_1_TYPENAMES_(T)>
+class GTEST_1_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0) : f0_(f0) {}
+
+  tuple(const tuple& t) : f0_(t.f0_) {}
+
+  template <GTEST_1_TYPENAMES_(U)>
+  tuple(const GTEST_1_TUPLE_(U)& t) : f0_(t.f0_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_1_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_1_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_1_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_1_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    return *this;
+  }
+
+  T0 f0_;
+};
+
+template <GTEST_2_TYPENAMES_(T)>
+class GTEST_2_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1) : f0_(f0),
+      f1_(f1) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_) {}
+
+  template <GTEST_2_TYPENAMES_(U)>
+  tuple(const GTEST_2_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_) {}
+  template <typename U0, typename U1>
+  tuple(const ::std::pair<U0, U1>& p) : f0_(p.first), f1_(p.second) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_2_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_2_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+  template <typename U0, typename U1>
+  tuple& operator=(const ::std::pair<U0, U1>& p) {
+    f0_ = p.first;
+    f1_ = p.second;
+    return *this;
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_2_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_2_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+};
+
+template <GTEST_3_TYPENAMES_(T)>
+class GTEST_3_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2) : f0_(f0), f1_(f1), f2_(f2) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_) {}
+
+  template <GTEST_3_TYPENAMES_(U)>
+  tuple(const GTEST_3_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_3_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_3_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_3_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_3_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+};
+
+template <GTEST_4_TYPENAMES_(T)>
+class GTEST_4_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3) : f0_(f0), f1_(f1), f2_(f2),
+      f3_(f3) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_) {}
+
+  template <GTEST_4_TYPENAMES_(U)>
+  tuple(const GTEST_4_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_4_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_4_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_4_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_4_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+};
+
+template <GTEST_5_TYPENAMES_(T)>
+class GTEST_5_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3,
+      GTEST_BY_REF_(T4) f4) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_) {}
+
+  template <GTEST_5_TYPENAMES_(U)>
+  tuple(const GTEST_5_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_5_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_5_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_5_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_5_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+};
+
+template <GTEST_6_TYPENAMES_(T)>
+class GTEST_6_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
+      GTEST_BY_REF_(T5) f5) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
+      f5_(f5) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_), f5_(t.f5_) {}
+
+  template <GTEST_6_TYPENAMES_(U)>
+  tuple(const GTEST_6_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_6_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_6_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_6_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_6_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    f5_ = t.f5_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+  T5 f5_;
+};
+
+template <GTEST_7_TYPENAMES_(T)>
+class GTEST_7_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
+      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6) : f0_(f0), f1_(f1), f2_(f2),
+      f3_(f3), f4_(f4), f5_(f5), f6_(f6) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_) {}
+
+  template <GTEST_7_TYPENAMES_(U)>
+  tuple(const GTEST_7_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_7_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_7_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_7_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_7_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    f5_ = t.f5_;
+    f6_ = t.f6_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+  T5 f5_;
+  T6 f6_;
+};
+
+template <GTEST_8_TYPENAMES_(T)>
+class GTEST_8_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
+      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6,
+      GTEST_BY_REF_(T7) f7) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
+      f5_(f5), f6_(f6), f7_(f7) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_) {}
+
+  template <GTEST_8_TYPENAMES_(U)>
+  tuple(const GTEST_8_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_8_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_8_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_8_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_8_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    f5_ = t.f5_;
+    f6_ = t.f6_;
+    f7_ = t.f7_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+  T5 f5_;
+  T6 f6_;
+  T7 f7_;
+};
+
+template <GTEST_9_TYPENAMES_(T)>
+class GTEST_9_TUPLE_(T) {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_(), f8_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
+      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6, GTEST_BY_REF_(T7) f7,
+      GTEST_BY_REF_(T8) f8) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
+      f5_(f5), f6_(f6), f7_(f7), f8_(f8) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_) {}
+
+  template <GTEST_9_TYPENAMES_(U)>
+  tuple(const GTEST_9_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_9_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_9_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_9_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_9_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    f5_ = t.f5_;
+    f6_ = t.f6_;
+    f7_ = t.f7_;
+    f8_ = t.f8_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+  T5 f5_;
+  T6 f6_;
+  T7 f7_;
+  T8 f8_;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+class tuple {
+ public:
+  template <int k> friend class gtest_internal::Get;
+
+  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_(), f8_(),
+      f9_() {}
+
+  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
+      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
+      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6, GTEST_BY_REF_(T7) f7,
+      GTEST_BY_REF_(T8) f8, GTEST_BY_REF_(T9) f9) : f0_(f0), f1_(f1), f2_(f2),
+      f3_(f3), f4_(f4), f5_(f5), f6_(f6), f7_(f7), f8_(f8), f9_(f9) {}
+
+  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
+      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_), f9_(t.f9_) {}
+
+  template <GTEST_10_TYPENAMES_(U)>
+  tuple(const GTEST_10_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
+      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_),
+      f9_(t.f9_) {}
+
+  tuple& operator=(const tuple& t) { return CopyFrom(t); }
+
+  template <GTEST_10_TYPENAMES_(U)>
+  tuple& operator=(const GTEST_10_TUPLE_(U)& t) {
+    return CopyFrom(t);
+  }
+
+  GTEST_DECLARE_TUPLE_AS_FRIEND_
+
+  template <GTEST_10_TYPENAMES_(U)>
+  tuple& CopyFrom(const GTEST_10_TUPLE_(U)& t) {
+    f0_ = t.f0_;
+    f1_ = t.f1_;
+    f2_ = t.f2_;
+    f3_ = t.f3_;
+    f4_ = t.f4_;
+    f5_ = t.f5_;
+    f6_ = t.f6_;
+    f7_ = t.f7_;
+    f8_ = t.f8_;
+    f9_ = t.f9_;
+    return *this;
+  }
+
+  T0 f0_;
+  T1 f1_;
+  T2 f2_;
+  T3 f3_;
+  T4 f4_;
+  T5 f5_;
+  T6 f6_;
+  T7 f7_;
+  T8 f8_;
+  T9 f9_;
+};
+
+// 6.1.3.2 Tuple creation functions.
+
+// Known limitations: we don't support passing an
+// std::tr1::reference_wrapper<T> to make_tuple().  And we don't
+// implement tie().
+
+inline tuple<> make_tuple() { return tuple<>(); }
+
+template <GTEST_1_TYPENAMES_(T)>
+inline GTEST_1_TUPLE_(T) make_tuple(const T0& f0) {
+  return GTEST_1_TUPLE_(T)(f0);
+}
+
+template <GTEST_2_TYPENAMES_(T)>
+inline GTEST_2_TUPLE_(T) make_tuple(const T0& f0, const T1& f1) {
+  return GTEST_2_TUPLE_(T)(f0, f1);
+}
+
+template <GTEST_3_TYPENAMES_(T)>
+inline GTEST_3_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2) {
+  return GTEST_3_TUPLE_(T)(f0, f1, f2);
+}
+
+template <GTEST_4_TYPENAMES_(T)>
+inline GTEST_4_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3) {
+  return GTEST_4_TUPLE_(T)(f0, f1, f2, f3);
+}
+
+template <GTEST_5_TYPENAMES_(T)>
+inline GTEST_5_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4) {
+  return GTEST_5_TUPLE_(T)(f0, f1, f2, f3, f4);
+}
+
+template <GTEST_6_TYPENAMES_(T)>
+inline GTEST_6_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4, const T5& f5) {
+  return GTEST_6_TUPLE_(T)(f0, f1, f2, f3, f4, f5);
+}
+
+template <GTEST_7_TYPENAMES_(T)>
+inline GTEST_7_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4, const T5& f5, const T6& f6) {
+  return GTEST_7_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6);
+}
+
+template <GTEST_8_TYPENAMES_(T)>
+inline GTEST_8_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7) {
+  return GTEST_8_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7);
+}
+
+template <GTEST_9_TYPENAMES_(T)>
+inline GTEST_9_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7,
+    const T8& f8) {
+  return GTEST_9_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7, f8);
+}
+
+template <GTEST_10_TYPENAMES_(T)>
+inline GTEST_10_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
+    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7,
+    const T8& f8, const T9& f9) {
+  return GTEST_10_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7, f8, f9);
+}
+
+// 6.1.3.3 Tuple helper classes.
+
+template <typename Tuple> struct tuple_size;
+
+template <GTEST_0_TYPENAMES_(T)>
+struct tuple_size<GTEST_0_TUPLE_(T) > {
+  static const int value = 0;
+};
+
+template <GTEST_1_TYPENAMES_(T)>
+struct tuple_size<GTEST_1_TUPLE_(T) > {
+  static const int value = 1;
+};
+
+template <GTEST_2_TYPENAMES_(T)>
+struct tuple_size<GTEST_2_TUPLE_(T) > {
+  static const int value = 2;
+};
+
+template <GTEST_3_TYPENAMES_(T)>
+struct tuple_size<GTEST_3_TUPLE_(T) > {
+  static const int value = 3;
+};
+
+template <GTEST_4_TYPENAMES_(T)>
+struct tuple_size<GTEST_4_TUPLE_(T) > {
+  static const int value = 4;
+};
+
+template <GTEST_5_TYPENAMES_(T)>
+struct tuple_size<GTEST_5_TUPLE_(T) > {
+  static const int value = 5;
+};
+
+template <GTEST_6_TYPENAMES_(T)>
+struct tuple_size<GTEST_6_TUPLE_(T) > {
+  static const int value = 6;
+};
+
+template <GTEST_7_TYPENAMES_(T)>
+struct tuple_size<GTEST_7_TUPLE_(T) > {
+  static const int value = 7;
+};
+
+template <GTEST_8_TYPENAMES_(T)>
+struct tuple_size<GTEST_8_TUPLE_(T) > {
+  static const int value = 8;
+};
+
+template <GTEST_9_TYPENAMES_(T)>
+struct tuple_size<GTEST_9_TUPLE_(T) > {
+  static const int value = 9;
+};
+
+template <GTEST_10_TYPENAMES_(T)>
+struct tuple_size<GTEST_10_TUPLE_(T) > {
+  static const int value = 10;
+};
+
+template <int k, class Tuple>
+struct tuple_element {
+  typedef typename gtest_internal::TupleElement<
+      k < (tuple_size<Tuple>::value), k, Tuple>::type type;
+};
+
+#define GTEST_TUPLE_ELEMENT_(k, Tuple) typename tuple_element<k, Tuple >::type
+
+// 6.1.3.4 Element access.
+
+namespace gtest_internal {
+
+template <>
+class Get<0> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(0, Tuple))
+  Field(Tuple& t) { return t.f0_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(0, Tuple))
+  ConstField(const Tuple& t) { return t.f0_; }
+};
+
+template <>
+class Get<1> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(1, Tuple))
+  Field(Tuple& t) { return t.f1_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(1, Tuple))
+  ConstField(const Tuple& t) { return t.f1_; }
+};
+
+template <>
+class Get<2> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(2, Tuple))
+  Field(Tuple& t) { return t.f2_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(2, Tuple))
+  ConstField(const Tuple& t) { return t.f2_; }
+};
+
+template <>
+class Get<3> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(3, Tuple))
+  Field(Tuple& t) { return t.f3_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(3, Tuple))
+  ConstField(const Tuple& t) { return t.f3_; }
+};
+
+template <>
+class Get<4> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(4, Tuple))
+  Field(Tuple& t) { return t.f4_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(4, Tuple))
+  ConstField(const Tuple& t) { return t.f4_; }
+};
+
+template <>
+class Get<5> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(5, Tuple))
+  Field(Tuple& t) { return t.f5_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(5, Tuple))
+  ConstField(const Tuple& t) { return t.f5_; }
+};
+
+template <>
+class Get<6> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(6, Tuple))
+  Field(Tuple& t) { return t.f6_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(6, Tuple))
+  ConstField(const Tuple& t) { return t.f6_; }
+};
+
+template <>
+class Get<7> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(7, Tuple))
+  Field(Tuple& t) { return t.f7_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(7, Tuple))
+  ConstField(const Tuple& t) { return t.f7_; }
+};
+
+template <>
+class Get<8> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(8, Tuple))
+  Field(Tuple& t) { return t.f8_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(8, Tuple))
+  ConstField(const Tuple& t) { return t.f8_; }
+};
+
+template <>
+class Get<9> {
+ public:
+  template <class Tuple>
+  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(9, Tuple))
+  Field(Tuple& t) { return t.f9_; }  // NOLINT
+
+  template <class Tuple>
+  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(9, Tuple))
+  ConstField(const Tuple& t) { return t.f9_; }
+};
+
+}  // namespace gtest_internal
+
+template <int k, GTEST_10_TYPENAMES_(T)>
+GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(k, GTEST_10_TUPLE_(T)))
+get(GTEST_10_TUPLE_(T)& t) {
+  return gtest_internal::Get<k>::Field(t);
+}
+
+template <int k, GTEST_10_TYPENAMES_(T)>
+GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(k,  GTEST_10_TUPLE_(T)))
+get(const GTEST_10_TUPLE_(T)& t) {
+  return gtest_internal::Get<k>::ConstField(t);
+}
+
+// 6.1.3.5 Relational operators
+
+// We only implement == and !=, as we don't have a need for the rest yet.
+
+namespace gtest_internal {
+
+// SameSizeTuplePrefixComparator<k, k>::Eq(t1, t2) returns true if the
+// first k fields of t1 equals the first k fields of t2.
+// SameSizeTuplePrefixComparator(k1, k2) would be a compiler error if
+// k1 != k2.
+template <int kSize1, int kSize2>
+struct SameSizeTuplePrefixComparator;
+
+template <>
+struct SameSizeTuplePrefixComparator<0, 0> {
+  template <class Tuple1, class Tuple2>
+  static bool Eq(const Tuple1& /* t1 */, const Tuple2& /* t2 */) {
+    return true;
+  }
+};
+
+template <int k>
+struct SameSizeTuplePrefixComparator<k, k> {
+  template <class Tuple1, class Tuple2>
+  static bool Eq(const Tuple1& t1, const Tuple2& t2) {
+    return SameSizeTuplePrefixComparator<k - 1, k - 1>::Eq(t1, t2) &&
+        ::std::tr1::get<k - 1>(t1) == ::std::tr1::get<k - 1>(t2);
+  }
+};
+
+}  // namespace gtest_internal
+
+template <GTEST_10_TYPENAMES_(T), GTEST_10_TYPENAMES_(U)>
+inline bool operator==(const GTEST_10_TUPLE_(T)& t,
+                       const GTEST_10_TUPLE_(U)& u) {
+  return gtest_internal::SameSizeTuplePrefixComparator<
+      tuple_size<GTEST_10_TUPLE_(T) >::value,
+      tuple_size<GTEST_10_TUPLE_(U) >::value>::Eq(t, u);
+}
+
+template <GTEST_10_TYPENAMES_(T), GTEST_10_TYPENAMES_(U)>
+inline bool operator!=(const GTEST_10_TUPLE_(T)& t,
+                       const GTEST_10_TUPLE_(U)& u) { return !(t == u); }
+
+// 6.1.4 Pairs.
+// Unimplemented.
+
+}  // namespace tr1
+}  // namespace std
+
+#undef GTEST_0_TUPLE_
+#undef GTEST_1_TUPLE_
+#undef GTEST_2_TUPLE_
+#undef GTEST_3_TUPLE_
+#undef GTEST_4_TUPLE_
+#undef GTEST_5_TUPLE_
+#undef GTEST_6_TUPLE_
+#undef GTEST_7_TUPLE_
+#undef GTEST_8_TUPLE_
+#undef GTEST_9_TUPLE_
+#undef GTEST_10_TUPLE_
+
+#undef GTEST_0_TYPENAMES_
+#undef GTEST_1_TYPENAMES_
+#undef GTEST_2_TYPENAMES_
+#undef GTEST_3_TYPENAMES_
+#undef GTEST_4_TYPENAMES_
+#undef GTEST_5_TYPENAMES_
+#undef GTEST_6_TYPENAMES_
+#undef GTEST_7_TYPENAMES_
+#undef GTEST_8_TYPENAMES_
+#undef GTEST_9_TYPENAMES_
+#undef GTEST_10_TYPENAMES_
+
+#undef GTEST_DECLARE_TUPLE_AS_FRIEND_
+#undef GTEST_BY_REF_
+#undef GTEST_ADD_REF_
+#undef GTEST_TUPLE_ELEMENT_
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
+# elif GTEST_ENV_HAS_STD_TUPLE_
+#  include <tuple>
+// C++11 puts its tuple into the ::std namespace rather than
+// ::std::tr1.  gtest expects tuple to live in ::std::tr1, so put it there.
+// This causes undefined behavior, but supported compilers react in
+// the way we intend.
+namespace std {
+namespace tr1 {
+using ::std::get;
+using ::std::make_tuple;
+using ::std::tuple;
+using ::std::tuple_element;
+using ::std::tuple_size;
+}
+}
+
+# elif GTEST_OS_SYMBIAN
+
+// On Symbian, BOOST_HAS_TR1_TUPLE causes Boost's TR1 tuple library to
+// use STLport's tuple implementation, which unfortunately doesn't
+// work as the copy of STLport distributed with Symbian is incomplete.
+// By making sure BOOST_HAS_TR1_TUPLE is undefined, we force Boost to
+// use its own tuple implementation.
+#  ifdef BOOST_HAS_TR1_TUPLE
+#   undef BOOST_HAS_TR1_TUPLE
+#  endif  // BOOST_HAS_TR1_TUPLE
+
+// This prevents <boost/tr1/detail/config.hpp>, which defines
+// BOOST_HAS_TR1_TUPLE, from being #included by Boost's <tuple>.
+#  define BOOST_TR1_DETAIL_CONFIG_HPP_INCLUDED
+#  include <tuple>
+
+# elif defined(__GNUC__) && (GTEST_GCC_VER_ >= 40000)
+// GCC 4.0+ implements tr1/tuple in the <tr1/tuple> header.  This does
+// not conform to the TR1 spec, which requires the header to be <tuple>.
+
+#  if !GTEST_HAS_RTTI && GTEST_GCC_VER_ < 40302
+// Until version 4.3.2, gcc has a bug that causes <tr1/functional>,
+// which is #included by <tr1/tuple>, to not compile when RTTI is
+// disabled.  _TR1_FUNCTIONAL is the header guard for
+// <tr1/functional>.  Hence the following #define is a hack to prevent
+// <tr1/functional> from being included.
+#   define _TR1_FUNCTIONAL 1
+#   include <tr1/tuple>
+#   undef _TR1_FUNCTIONAL  // Allows the user to #include
+                        // <tr1/functional> if he chooses to.
+#  else
+#   include <tr1/tuple>  // NOLINT
+#  endif  // !GTEST_HAS_RTTI && GTEST_GCC_VER_ < 40302
+
+# else
+// If the compiler is not GCC 4.0+, we assume the user is using a
+// spec-conforming TR1 implementation.
+#  include <tuple>  // NOLINT
+# endif  // GTEST_USE_OWN_TR1_TUPLE
+
+#endif  // GTEST_HAS_TR1_TUPLE
+
+// Determines whether clone(2) is supported.
+// Usually it will only be available on Linux, excluding
+// Linux on the Itanium architecture.
+// Also see http://linux.die.net/man/2/clone.
+#ifndef GTEST_HAS_CLONE
+// The user didn't tell us, so we need to figure it out.
+
+# if GTEST_OS_LINUX && !defined(__ia64__)
+#  if GTEST_OS_LINUX_ANDROID
+// On Android, clone() is only available on ARM starting with Gingerbread.
+#    if defined(__arm__) && __ANDROID_API__ >= 9
+#     define GTEST_HAS_CLONE 1
+#    else
+#     define GTEST_HAS_CLONE 0
+#    endif
+#  else
+#   define GTEST_HAS_CLONE 1
+#  endif
+# else
+#  define GTEST_HAS_CLONE 0
+# endif  // GTEST_OS_LINUX && !defined(__ia64__)
+
+#endif  // GTEST_HAS_CLONE
+
+// Determines whether to support stream redirection. This is used to test
+// output correctness and to implement death tests.
+#ifndef GTEST_HAS_STREAM_REDIRECTION
+// By default, we assume that stream redirection is supported on all
+// platforms except known mobile ones.
+# if GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN
+#  define GTEST_HAS_STREAM_REDIRECTION 0
+# else
+#  define GTEST_HAS_STREAM_REDIRECTION 1
+# endif  // !GTEST_OS_WINDOWS_MOBILE && !GTEST_OS_SYMBIAN
+#endif  // GTEST_HAS_STREAM_REDIRECTION
+
+// Determines whether to support death tests.
+// Google Test does not support death tests for VC 7.1 and earlier as
+// abort() in a VC 7.1 application compiled as GUI in debug config
+// pops up a dialog window that cannot be suppressed programmatically.
+#if (GTEST_OS_LINUX || GTEST_OS_CYGWIN || GTEST_OS_SOLARIS || \
+     (GTEST_OS_MAC && !GTEST_OS_IOS) || GTEST_OS_IOS_SIMULATOR || \
+     (GTEST_OS_WINDOWS_DESKTOP && _MSC_VER >= 1400) || \
+     GTEST_OS_WINDOWS_MINGW || GTEST_OS_AIX || GTEST_OS_HPUX || \
+     GTEST_OS_OPENBSD || GTEST_OS_QNX)
+# define GTEST_HAS_DEATH_TEST 1
+# include <vector>  // NOLINT
+#endif
+
+// We don't support MSVC 7.1 with exceptions disabled now.  Therefore
+// all the compilers we care about are adequate for supporting
+// value-parameterized tests.
+#define GTEST_HAS_PARAM_TEST 1
+
+// Determines whether to support type-driven tests.
+
+// Typed tests need <typeinfo> and variadic macros, which GCC, VC++ 8.0,
+// Sun Pro CC, IBM Visual Age, and HP aCC support.
+#if defined(__GNUC__) || (_MSC_VER >= 1400) || defined(__SUNPRO_CC) || \
+    defined(__IBMCPP__) || defined(__HP_aCC)
+# define GTEST_HAS_TYPED_TEST 1
+# define GTEST_HAS_TYPED_TEST_P 1
+#endif
+
+// Determines whether to support Combine(). This only makes sense when
+// value-parameterized tests are enabled.  The implementation doesn't
+// work on Sun Studio since it doesn't understand templated conversion
+// operators.
+#if GTEST_HAS_PARAM_TEST && GTEST_HAS_TR1_TUPLE && !defined(__SUNPRO_CC)
+# define GTEST_HAS_COMBINE 1
+#endif
+
+// Determines whether the system compiler uses UTF-16 for encoding wide strings.
+#define GTEST_WIDE_STRING_USES_UTF16_ \
+    (GTEST_OS_WINDOWS || GTEST_OS_CYGWIN || GTEST_OS_SYMBIAN || GTEST_OS_AIX)
+
+// Determines whether test results can be streamed to a socket.
+#if GTEST_OS_LINUX
+# define GTEST_CAN_STREAM_RESULTS_ 1
+#endif
+
+// Defines some utility macros.
+
+// The GNU compiler emits a warning if nested "if" statements are followed by
+// an "else" statement and braces are not used to explicitly disambiguate the
+// "else" binding.  This leads to problems with code like:
+//
+//   if (gate)
+//     ASSERT_*(condition) << "Some message";
+//
+// The "switch (0) case 0:" idiom is used to suppress this.
+#ifdef __INTEL_COMPILER
+# define GTEST_AMBIGUOUS_ELSE_BLOCKER_
+#else
+# define GTEST_AMBIGUOUS_ELSE_BLOCKER_ switch (0) case 0: default:  // NOLINT
+#endif
+
+// Use this annotation at the end of a struct/class definition to
+// prevent the compiler from optimizing away instances that are never
+// used.  This is useful when all interesting logic happens inside the
+// c'tor and / or d'tor.  Example:
+//
+//   struct Foo {
+//     Foo() { ... }
+//   } GTEST_ATTRIBUTE_UNUSED_;
+//
+// Also use it after a variable or parameter declaration to tell the
+// compiler the variable/parameter does not have to be used.
+#if defined(__GNUC__) && !defined(COMPILER_ICC)
+# define GTEST_ATTRIBUTE_UNUSED_ __attribute__ ((unused))
+#else
+# define GTEST_ATTRIBUTE_UNUSED_
+#endif
+
+// A macro to disallow operator=
+// This should be used in the private: declarations for a class.
+#define GTEST_DISALLOW_ASSIGN_(type)\
+  void operator=(type const &)
+
+// A macro to disallow copy constructor and operator=
+// This should be used in the private: declarations for a class.
+#define GTEST_DISALLOW_COPY_AND_ASSIGN_(type)\
+  type(type const &);\
+  GTEST_DISALLOW_ASSIGN_(type)
+
+// Tell the compiler to warn about unused return values for functions declared
+// with this macro.  The macro should be used on function declarations
+// following the argument list:
+//
+//   Sprocket* AllocateSprocket() GTEST_MUST_USE_RESULT_;
+#if defined(__GNUC__) && (GTEST_GCC_VER_ >= 30400) && !defined(COMPILER_ICC)
+# define GTEST_MUST_USE_RESULT_ __attribute__ ((warn_unused_result))
+#else
+# define GTEST_MUST_USE_RESULT_
+#endif  // __GNUC__ && (GTEST_GCC_VER_ >= 30400) && !COMPILER_ICC
+
+// Determine whether the compiler supports Microsoft's Structured Exception
+// Handling.  This is supported by several Windows compilers but generally
+// does not exist on any other system.
+#ifndef GTEST_HAS_SEH
+// The user didn't tell us, so we need to figure it out.
+
+# if defined(_MSC_VER) || defined(__BORLANDC__)
+// These two compilers are known to support SEH.
+#  define GTEST_HAS_SEH 1
+# else
+// Assume no SEH.
+#  define GTEST_HAS_SEH 0
+# endif
+
+#endif  // GTEST_HAS_SEH
+
+#ifdef _MSC_VER
+
+# if GTEST_LINKED_AS_SHARED_LIBRARY
+#  define GTEST_API_ __declspec(dllimport)
+# elif GTEST_CREATE_SHARED_LIBRARY
+#  define GTEST_API_ __declspec(dllexport)
+# endif
+
+#endif  // _MSC_VER
+
+#ifndef GTEST_API_
+# define GTEST_API_
+#endif
+
+#ifdef __GNUC__
+// Ask the compiler to never inline a given function.
+# define GTEST_NO_INLINE_ __attribute__((noinline))
+#else
+# define GTEST_NO_INLINE_
+#endif
+
+// _LIBCPP_VERSION is defined by the libc++ library from the LLVM project.
+#if defined(__GLIBCXX__) || defined(_LIBCPP_VERSION)
+# define GTEST_HAS_CXXABI_H_ 1
+#else
+# define GTEST_HAS_CXXABI_H_ 0
+#endif
+
+namespace testing {
+
+class Message;
+
+namespace internal {
+
+// A secret type that Google Test users don't know about.  It has no
+// definition on purpose.  Therefore it's impossible to create a
+// Secret object, which is what we want.
+class Secret;
+
+// The GTEST_COMPILE_ASSERT_ macro can be used to verify that a compile time
+// expression is true. For example, you could use it to verify the
+// size of a static array:
+//
+//   GTEST_COMPILE_ASSERT_(ARRAYSIZE(content_type_names) == CONTENT_NUM_TYPES,
+//                         content_type_names_incorrect_size);
+//
+// or to make sure a struct is smaller than a certain size:
+//
+//   GTEST_COMPILE_ASSERT_(sizeof(foo) < 128, foo_too_large);
+//
+// The second argument to the macro is the name of the variable. If
+// the expression is false, most compilers will issue a warning/error
+// containing the name of the variable.
+
+template <bool>
+struct CompileAssert {
+};
+
+#define GTEST_COMPILE_ASSERT_(expr, msg) \
+  typedef ::testing::internal::CompileAssert<(static_cast<bool>(expr))> \
+      msg[static_cast<bool>(expr) ? 1 : -1] GTEST_ATTRIBUTE_UNUSED_
+
+// Implementation details of GTEST_COMPILE_ASSERT_:
+//
+// - GTEST_COMPILE_ASSERT_ works by defining an array type that has -1
+//   elements (and thus is invalid) when the expression is false.
+//
+// - The simpler definition
+//
+//    #define GTEST_COMPILE_ASSERT_(expr, msg) typedef char msg[(expr) ? 1 : -1]
+//
+//   does not work, as gcc supports variable-length arrays whose sizes
+//   are determined at run-time (this is gcc's extension and not part
+//   of the C++ standard).  As a result, gcc fails to reject the
+//   following code with the simple definition:
+//
+//     int foo;
+//     GTEST_COMPILE_ASSERT_(foo, msg); // not supposed to compile as foo is
+//                                      // not a compile-time constant.
+//
+// - By using the type CompileAssert<(bool(expr))>, we ensures that
+//   expr is a compile-time constant.  (Template arguments must be
+//   determined at compile-time.)
+//
+// - The outter parentheses in CompileAssert<(bool(expr))> are necessary
+//   to work around a bug in gcc 3.4.4 and 4.0.1.  If we had written
+//
+//     CompileAssert<bool(expr)>
+//
+//   instead, these compilers will refuse to compile
+//
+//     GTEST_COMPILE_ASSERT_(5 > 0, some_message);
+//
+//   (They seem to think the ">" in "5 > 0" marks the end of the
+//   template argument list.)
+//
+// - The array size is (bool(expr) ? 1 : -1), instead of simply
+//
+//     ((expr) ? 1 : -1).
+//
+//   This is to avoid running into a bug in MS VC 7.1, which
+//   causes ((0.0) ? 1 : -1) to incorrectly evaluate to 1.
+
+// StaticAssertTypeEqHelper is used by StaticAssertTypeEq defined in gtest.h.
+//
+// This template is declared, but intentionally undefined.
+template <typename T1, typename T2>
+struct StaticAssertTypeEqHelper;
+
+template <typename T>
+struct StaticAssertTypeEqHelper<T, T> {};
+
+#if GTEST_HAS_GLOBAL_STRING
+typedef ::string string;
+#else
+typedef ::std::string string;
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+#if GTEST_HAS_GLOBAL_WSTRING
+typedef ::wstring wstring;
+#elif GTEST_HAS_STD_WSTRING
+typedef ::std::wstring wstring;
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+// A helper for suppressing warnings on constant condition.  It just
+// returns 'condition'.
+GTEST_API_ bool IsTrue(bool condition);
+
+// Defines scoped_ptr.
+
+// This implementation of scoped_ptr is PARTIAL - it only contains
+// enough stuff to satisfy Google Test's need.
+template <typename T>
+class scoped_ptr {
+ public:
+  typedef T element_type;
+
+  explicit scoped_ptr(T* p = NULL) : ptr_(p) {}
+  ~scoped_ptr() { reset(); }
+
+  T& operator*() const { return *ptr_; }
+  T* operator->() const { return ptr_; }
+  T* get() const { return ptr_; }
+
+  T* release() {
+    T* const ptr = ptr_;
+    ptr_ = NULL;
+    return ptr;
+  }
+
+  void reset(T* p = NULL) {
+    if (p != ptr_) {
+      if (IsTrue(sizeof(T) > 0)) {  // Makes sure T is a complete type.
+        delete ptr_;
+      }
+      ptr_ = p;
+    }
+  }
+
+ private:
+  T* ptr_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(scoped_ptr);
+};
+
+// Defines RE.
+
+// A simple C++ wrapper for <regex.h>.  It uses the POSIX Extended
+// Regular Expression syntax.
+class GTEST_API_ RE {
+ public:
+  // A copy constructor is required by the Standard to initialize object
+  // references from r-values.
+  RE(const RE& other) { Init(other.pattern()); }
+
+  // Constructs an RE from a string.
+  RE(const ::std::string& regex) { Init(regex.c_str()); }  // NOLINT
+
+#if GTEST_HAS_GLOBAL_STRING
+
+  RE(const ::string& regex) { Init(regex.c_str()); }  // NOLINT
+
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+  RE(const char* regex) { Init(regex); }  // NOLINT
+  ~RE();
+
+  // Returns the string representation of the regex.
+  const char* pattern() const { return pattern_; }
+
+  // FullMatch(str, re) returns true iff regular expression re matches
+  // the entire str.
+  // PartialMatch(str, re) returns true iff regular expression re
+  // matches a substring of str (including str itself).
+  //
+  // TODO(wan@google.com): make FullMatch() and PartialMatch() work
+  // when str contains NUL characters.
+  static bool FullMatch(const ::std::string& str, const RE& re) {
+    return FullMatch(str.c_str(), re);
+  }
+  static bool PartialMatch(const ::std::string& str, const RE& re) {
+    return PartialMatch(str.c_str(), re);
+  }
+
+#if GTEST_HAS_GLOBAL_STRING
+
+  static bool FullMatch(const ::string& str, const RE& re) {
+    return FullMatch(str.c_str(), re);
+  }
+  static bool PartialMatch(const ::string& str, const RE& re) {
+    return PartialMatch(str.c_str(), re);
+  }
+
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+  static bool FullMatch(const char* str, const RE& re);
+  static bool PartialMatch(const char* str, const RE& re);
+
+ private:
+  void Init(const char* regex);
+
+  // We use a const char* instead of an std::string, as Google Test used to be
+  // used where std::string is not available.  TODO(wan@google.com): change to
+  // std::string.
+  const char* pattern_;
+  bool is_valid_;
+
+#if GTEST_USES_POSIX_RE
+
+  regex_t full_regex_;     // For FullMatch().
+  regex_t partial_regex_;  // For PartialMatch().
+
+#else  // GTEST_USES_SIMPLE_RE
+
+  const char* full_pattern_;  // For FullMatch();
+
+#endif
+
+  GTEST_DISALLOW_ASSIGN_(RE);
+};
+
+// Formats a source file path and a line number as they would appear
+// in an error message from the compiler used to compile this code.
+GTEST_API_ ::std::string FormatFileLocation(const char* file, int line);
+
+// Formats a file location for compiler-independent XML output.
+// Although this function is not platform dependent, we put it next to
+// FormatFileLocation in order to contrast the two functions.
+GTEST_API_ ::std::string FormatCompilerIndependentFileLocation(const char* file,
+                                                               int line);
+
+// Defines logging utilities:
+//   GTEST_LOG_(severity) - logs messages at the specified severity level. The
+//                          message itself is streamed into the macro.
+//   LogToStderr()  - directs all log messages to stderr.
+//   FlushInfoLog() - flushes informational log messages.
+
+enum GTestLogSeverity {
+  GTEST_INFO,
+  GTEST_WARNING,
+  GTEST_ERROR,
+  GTEST_FATAL
+};
+
+// Formats log entry severity, provides a stream object for streaming the
+// log message, and terminates the message with a newline when going out of
+// scope.
+class GTEST_API_ GTestLog {
+ public:
+  GTestLog(GTestLogSeverity severity, const char* file, int line);
+
+  // Flushes the buffers and, if severity is GTEST_FATAL, aborts the program.
+  ~GTestLog();
+
+  ::std::ostream& GetStream() { return ::std::cerr; }
+
+ private:
+  const GTestLogSeverity severity_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(GTestLog);
+};
+
+#define GTEST_LOG_(severity) \
+    ::testing::internal::GTestLog(::testing::internal::GTEST_##severity, \
+                                  __FILE__, __LINE__).GetStream()
+
+inline void LogToStderr() {}
+inline void FlushInfoLog() { fflush(NULL); }
+
+// INTERNAL IMPLEMENTATION - DO NOT USE.
+//
+// GTEST_CHECK_ is an all-mode assert. It aborts the program if the condition
+// is not satisfied.
+//  Synopsys:
+//    GTEST_CHECK_(boolean_condition);
+//     or
+//    GTEST_CHECK_(boolean_condition) << "Additional message";
+//
+//    This checks the condition and if the condition is not satisfied
+//    it prints message about the condition violation, including the
+//    condition itself, plus additional message streamed into it, if any,
+//    and then it aborts the program. It aborts the program irrespective of
+//    whether it is built in the debug mode or not.
+#define GTEST_CHECK_(condition) \
+    GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+    if (::testing::internal::IsTrue(condition)) \
+      ; \
+    else \
+      GTEST_LOG_(FATAL) << "Condition " #condition " failed. "
+
+// An all-mode assert to verify that the given POSIX-style function
+// call returns 0 (indicating success).  Known limitation: this
+// doesn't expand to a balanced 'if' statement, so enclose the macro
+// in {} if you need to use it as the only statement in an 'if'
+// branch.
+#define GTEST_CHECK_POSIX_SUCCESS_(posix_call) \
+  if (const int gtest_error = (posix_call)) \
+    GTEST_LOG_(FATAL) << #posix_call << "failed with error " \
+                      << gtest_error
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Use ImplicitCast_ as a safe version of static_cast for upcasting in
+// the type hierarchy (e.g. casting a Foo* to a SuperclassOfFoo* or a
+// const Foo*).  When you use ImplicitCast_, the compiler checks that
+// the cast is safe.  Such explicit ImplicitCast_s are necessary in
+// surprisingly many situations where C++ demands an exact type match
+// instead of an argument type convertable to a target type.
+//
+// The syntax for using ImplicitCast_ is the same as for static_cast:
+//
+//   ImplicitCast_<ToType>(expr)
+//
+// ImplicitCast_ would have been part of the C++ standard library,
+// but the proposal was submitted too late.  It will probably make
+// its way into the language in the future.
+//
+// This relatively ugly name is intentional. It prevents clashes with
+// similar functions users may have (e.g., implicit_cast). The internal
+// namespace alone is not enough because the function can be found by ADL.
+template<typename To>
+inline To ImplicitCast_(To x) { return x; }
+
+// When you upcast (that is, cast a pointer from type Foo to type
+// SuperclassOfFoo), it's fine to use ImplicitCast_<>, since upcasts
+// always succeed.  When you downcast (that is, cast a pointer from
+// type Foo to type SubclassOfFoo), static_cast<> isn't safe, because
+// how do you know the pointer is really of type SubclassOfFoo?  It
+// could be a bare Foo, or of type DifferentSubclassOfFoo.  Thus,
+// when you downcast, you should use this macro.  In debug mode, we
+// use dynamic_cast<> to double-check the downcast is legal (we die
+// if it's not).  In normal mode, we do the efficient static_cast<>
+// instead.  Thus, it's important to test in debug mode to make sure
+// the cast is legal!
+//    This is the only place in the code we should use dynamic_cast<>.
+// In particular, you SHOULDN'T be using dynamic_cast<> in order to
+// do RTTI (eg code like this:
+//    if (dynamic_cast<Subclass1>(foo)) HandleASubclass1Object(foo);
+//    if (dynamic_cast<Subclass2>(foo)) HandleASubclass2Object(foo);
+// You should design the code some other way not to need this.
+//
+// This relatively ugly name is intentional. It prevents clashes with
+// similar functions users may have (e.g., down_cast). The internal
+// namespace alone is not enough because the function can be found by ADL.
+template<typename To, typename From>  // use like this: DownCast_<T*>(foo);
+inline To DownCast_(From* f) {  // so we only accept pointers
+  // Ensures that To is a sub-type of From *.  This test is here only
+  // for compile-time type checking, and has no overhead in an
+  // optimized build at run-time, as it will be optimized away
+  // completely.
+  if (false) {
+    const To to = NULL;
+    ::testing::internal::ImplicitCast_<From*>(to);
+  }
+
+#if GTEST_HAS_RTTI
+  // RTTI: debug mode only!
+  GTEST_CHECK_(f == NULL || dynamic_cast<To>(f) != NULL);
+#endif
+  return static_cast<To>(f);
+}
+
+// Downcasts the pointer of type Base to Derived.
+// Derived must be a subclass of Base. The parameter MUST
+// point to a class of type Derived, not any subclass of it.
+// When RTTI is available, the function performs a runtime
+// check to enforce this.
+template <class Derived, class Base>
+Derived* CheckedDowncastToActualType(Base* base) {
+#if GTEST_HAS_RTTI
+  GTEST_CHECK_(typeid(*base) == typeid(Derived));
+  return dynamic_cast<Derived*>(base);  // NOLINT
+#else
+  return static_cast<Derived*>(base);  // Poor man's downcast.
+#endif
+}
+
+#if GTEST_HAS_STREAM_REDIRECTION
+
+// Defines the stderr capturer:
+//   CaptureStdout     - starts capturing stdout.
+//   GetCapturedStdout - stops capturing stdout and returns the captured string.
+//   CaptureStderr     - starts capturing stderr.
+//   GetCapturedStderr - stops capturing stderr and returns the captured string.
+//
+GTEST_API_ void CaptureStdout();
+GTEST_API_ std::string GetCapturedStdout();
+GTEST_API_ void CaptureStderr();
+GTEST_API_ std::string GetCapturedStderr();
+
+#endif  // GTEST_HAS_STREAM_REDIRECTION
+
+
+#if GTEST_HAS_DEATH_TEST
+
+const ::std::vector<testing::internal::string>& GetInjectableArgvs();
+void SetInjectableArgvs(const ::std::vector<testing::internal::string>*
+                             new_argvs);
+
+// A copy of all command line arguments.  Set by InitGoogleTest().
+extern ::std::vector<testing::internal::string> g_argvs;
+
+#endif  // GTEST_HAS_DEATH_TEST
+
+// Defines synchronization primitives.
+
+#if GTEST_HAS_PTHREAD
+
+// Sleeps for (roughly) n milli-seconds.  This function is only for
+// testing Google Test's own constructs.  Don't use it in user tests,
+// either directly or indirectly.
+inline void SleepMilliseconds(int n) {
+  const timespec time = {
+    0,                  // 0 seconds.
+    n * 1000L * 1000L,  // And n ms.
+  };
+  nanosleep(&time, NULL);
+}
+
+// Allows a controller thread to pause execution of newly created
+// threads until notified.  Instances of this class must be created
+// and destroyed in the controller thread.
+//
+// This class is only for testing Google Test's own constructs. Do not
+// use it in user tests, either directly or indirectly.
+class Notification {
+ public:
+  Notification() : notified_(false) {
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_init(&mutex_, NULL));
+  }
+  ~Notification() {
+    pthread_mutex_destroy(&mutex_);
+  }
+
+  // Notifies all threads created with this notification to start. Must
+  // be called from the controller thread.
+  void Notify() {
+    pthread_mutex_lock(&mutex_);
+    notified_ = true;
+    pthread_mutex_unlock(&mutex_);
+  }
+
+  // Blocks until the controller thread notifies. Must be called from a test
+  // thread.
+  void WaitForNotification() {
+    for (;;) {
+      pthread_mutex_lock(&mutex_);
+      const bool notified = notified_;
+      pthread_mutex_unlock(&mutex_);
+      if (notified)
+        break;
+      SleepMilliseconds(10);
+    }
+  }
+
+ private:
+  pthread_mutex_t mutex_;
+  bool notified_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(Notification);
+};
+
+// As a C-function, ThreadFuncWithCLinkage cannot be templated itself.
+// Consequently, it cannot select a correct instantiation of ThreadWithParam
+// in order to call its Run(). Introducing ThreadWithParamBase as a
+// non-templated base class for ThreadWithParam allows us to bypass this
+// problem.
+class ThreadWithParamBase {
+ public:
+  virtual ~ThreadWithParamBase() {}
+  virtual void Run() = 0;
+};
+
+// pthread_create() accepts a pointer to a function type with the C linkage.
+// According to the Standard (7.5/1), function types with different linkages
+// are different even if they are otherwise identical.  Some compilers (for
+// example, SunStudio) treat them as different types.  Since class methods
+// cannot be defined with C-linkage we need to define a free C-function to
+// pass into pthread_create().
+extern "C" inline void* ThreadFuncWithCLinkage(void* thread) {
+  static_cast<ThreadWithParamBase*>(thread)->Run();
+  return NULL;
+}
+
+// Helper class for testing Google Test's multi-threading constructs.
+// To use it, write:
+//
+//   void ThreadFunc(int param) { /* Do things with param */ }
+//   Notification thread_can_start;
+//   ...
+//   // The thread_can_start parameter is optional; you can supply NULL.
+//   ThreadWithParam<int> thread(&ThreadFunc, 5, &thread_can_start);
+//   thread_can_start.Notify();
+//
+// These classes are only for testing Google Test's own constructs. Do
+// not use them in user tests, either directly or indirectly.
+template <typename T>
+class ThreadWithParam : public ThreadWithParamBase {
+ public:
+  typedef void (*UserThreadFunc)(T);
+
+  ThreadWithParam(
+      UserThreadFunc func, T param, Notification* thread_can_start)
+      : func_(func),
+        param_(param),
+        thread_can_start_(thread_can_start),
+        finished_(false) {
+    ThreadWithParamBase* const base = this;
+    // The thread can be created only after all fields except thread_
+    // have been initialized.
+    GTEST_CHECK_POSIX_SUCCESS_(
+        pthread_create(&thread_, 0, &ThreadFuncWithCLinkage, base));
+  }
+  ~ThreadWithParam() { Join(); }
+
+  void Join() {
+    if (!finished_) {
+      GTEST_CHECK_POSIX_SUCCESS_(pthread_join(thread_, 0));
+      finished_ = true;
+    }
+  }
+
+  virtual void Run() {
+    if (thread_can_start_ != NULL)
+      thread_can_start_->WaitForNotification();
+    func_(param_);
+  }
+
+ private:
+  const UserThreadFunc func_;  // User-supplied thread function.
+  const T param_;  // User-supplied parameter to the thread function.
+  // When non-NULL, used to block execution until the controller thread
+  // notifies.
+  Notification* const thread_can_start_;
+  bool finished_;  // true iff we know that the thread function has finished.
+  pthread_t thread_;  // The native thread object.
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ThreadWithParam);
+};
+
+// MutexBase and Mutex implement mutex on pthreads-based platforms. They
+// are used in conjunction with class MutexLock:
+//
+//   Mutex mutex;
+//   ...
+//   MutexLock lock(&mutex);  // Acquires the mutex and releases it at the end
+//                            // of the current scope.
+//
+// MutexBase implements behavior for both statically and dynamically
+// allocated mutexes.  Do not use MutexBase directly.  Instead, write
+// the following to define a static mutex:
+//
+//   GTEST_DEFINE_STATIC_MUTEX_(g_some_mutex);
+//
+// You can forward declare a static mutex like this:
+//
+//   GTEST_DECLARE_STATIC_MUTEX_(g_some_mutex);
+//
+// To create a dynamic mutex, just define an object of type Mutex.
+class MutexBase {
+ public:
+  // Acquires this mutex.
+  void Lock() {
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_lock(&mutex_));
+    owner_ = pthread_self();
+    has_owner_ = true;
+  }
+
+  // Releases this mutex.
+  void Unlock() {
+    // Since the lock is being released the owner_ field should no longer be
+    // considered valid. We don't protect writing to has_owner_ here, as it's
+    // the caller's responsibility to ensure that the current thread holds the
+    // mutex when this is called.
+    has_owner_ = false;
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_unlock(&mutex_));
+  }
+
+  // Does nothing if the current thread holds the mutex. Otherwise, crashes
+  // with high probability.
+  void AssertHeld() const {
+    GTEST_CHECK_(has_owner_ && pthread_equal(owner_, pthread_self()))
+        << "The current thread is not holding the mutex @" << this;
+  }
+
+  // A static mutex may be used before main() is entered.  It may even
+  // be used before the dynamic initialization stage.  Therefore we
+  // must be able to initialize a static mutex object at link time.
+  // This means MutexBase has to be a POD and its member variables
+  // have to be public.
+ public:
+  pthread_mutex_t mutex_;  // The underlying pthread mutex.
+  // has_owner_ indicates whether the owner_ field below contains a valid thread
+  // ID and is therefore safe to inspect (e.g., to use in pthread_equal()). All
+  // accesses to the owner_ field should be protected by a check of this field.
+  // An alternative might be to memset() owner_ to all zeros, but there's no
+  // guarantee that a zero'd pthread_t is necessarily invalid or even different
+  // from pthread_self().
+  bool has_owner_;
+  pthread_t owner_;  // The thread holding the mutex.
+};
+
+// Forward-declares a static mutex.
+# define GTEST_DECLARE_STATIC_MUTEX_(mutex) \
+    extern ::testing::internal::MutexBase mutex
+
+// Defines and statically (i.e. at link time) initializes a static mutex.
+// The initialization list here does not explicitly initialize each field,
+// instead relying on default initialization for the unspecified fields. In
+// particular, the owner_ field (a pthread_t) is not explicitly initialized.
+// This allows initialization to work whether pthread_t is a scalar or struct.
+// The flag -Wmissing-field-initializers must not be specified for this to work.
+# define GTEST_DEFINE_STATIC_MUTEX_(mutex) \
+    ::testing::internal::MutexBase mutex = { PTHREAD_MUTEX_INITIALIZER, false }
+
+// The Mutex class can only be used for mutexes created at runtime. It
+// shares its API with MutexBase otherwise.
+class Mutex : public MutexBase {
+ public:
+  Mutex() {
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_init(&mutex_, NULL));
+    has_owner_ = false;
+  }
+  ~Mutex() {
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_destroy(&mutex_));
+  }
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(Mutex);
+};
+
+// We cannot name this class MutexLock as the ctor declaration would
+// conflict with a macro named MutexLock, which is defined on some
+// platforms.  Hence the typedef trick below.
+class GTestMutexLock {
+ public:
+  explicit GTestMutexLock(MutexBase* mutex)
+      : mutex_(mutex) { mutex_->Lock(); }
+
+  ~GTestMutexLock() { mutex_->Unlock(); }
+
+ private:
+  MutexBase* const mutex_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(GTestMutexLock);
+};
+
+typedef GTestMutexLock MutexLock;
+
+// Helpers for ThreadLocal.
+
+// pthread_key_create() requires DeleteThreadLocalValue() to have
+// C-linkage.  Therefore it cannot be templatized to access
+// ThreadLocal<T>.  Hence the need for class
+// ThreadLocalValueHolderBase.
+class ThreadLocalValueHolderBase {
+ public:
+  virtual ~ThreadLocalValueHolderBase() {}
+};
+
+// Called by pthread to delete thread-local data stored by
+// pthread_setspecific().
+extern "C" inline void DeleteThreadLocalValue(void* value_holder) {
+  delete static_cast<ThreadLocalValueHolderBase*>(value_holder);
+}
+
+// Implements thread-local storage on pthreads-based systems.
+//
+//   // Thread 1
+//   ThreadLocal<int> tl(100);  // 100 is the default value for each thread.
+//
+//   // Thread 2
+//   tl.set(150);  // Changes the value for thread 2 only.
+//   EXPECT_EQ(150, tl.get());
+//
+//   // Thread 1
+//   EXPECT_EQ(100, tl.get());  // In thread 1, tl has the original value.
+//   tl.set(200);
+//   EXPECT_EQ(200, tl.get());
+//
+// The template type argument T must have a public copy constructor.
+// In addition, the default ThreadLocal constructor requires T to have
+// a public default constructor.
+//
+// An object managed for a thread by a ThreadLocal instance is deleted
+// when the thread exits.  Or, if the ThreadLocal instance dies in
+// that thread, when the ThreadLocal dies.  It's the user's
+// responsibility to ensure that all other threads using a ThreadLocal
+// have exited when it dies, or the per-thread objects for those
+// threads will not be deleted.
+//
+// Google Test only uses global ThreadLocal objects.  That means they
+// will die after main() has returned.  Therefore, no per-thread
+// object managed by Google Test will be leaked as long as all threads
+// using Google Test have exited when main() returns.
+template <typename T>
+class ThreadLocal {
+ public:
+  ThreadLocal() : key_(CreateKey()),
+                  default_() {}
+  explicit ThreadLocal(const T& value) : key_(CreateKey()),
+                                         default_(value) {}
+
+  ~ThreadLocal() {
+    // Destroys the managed object for the current thread, if any.
+    DeleteThreadLocalValue(pthread_getspecific(key_));
+
+    // Releases resources associated with the key.  This will *not*
+    // delete managed objects for other threads.
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_key_delete(key_));
+  }
+
+  T* pointer() { return GetOrCreateValue(); }
+  const T* pointer() const { return GetOrCreateValue(); }
+  const T& get() const { return *pointer(); }
+  void set(const T& value) { *pointer() = value; }
+
+ private:
+  // Holds a value of type T.
+  class ValueHolder : public ThreadLocalValueHolderBase {
+   public:
+    explicit ValueHolder(const T& value) : value_(value) {}
+
+    T* pointer() { return &value_; }
+
+   private:
+    T value_;
+    GTEST_DISALLOW_COPY_AND_ASSIGN_(ValueHolder);
+  };
+
+  static pthread_key_t CreateKey() {
+    pthread_key_t key;
+    // When a thread exits, DeleteThreadLocalValue() will be called on
+    // the object managed for that thread.
+    GTEST_CHECK_POSIX_SUCCESS_(
+        pthread_key_create(&key, &DeleteThreadLocalValue));
+    return key;
+  }
+
+  T* GetOrCreateValue() const {
+    ThreadLocalValueHolderBase* const holder =
+        static_cast<ThreadLocalValueHolderBase*>(pthread_getspecific(key_));
+    if (holder != NULL) {
+      return CheckedDowncastToActualType<ValueHolder>(holder)->pointer();
+    }
+
+    ValueHolder* const new_holder = new ValueHolder(default_);
+    ThreadLocalValueHolderBase* const holder_base = new_holder;
+    GTEST_CHECK_POSIX_SUCCESS_(pthread_setspecific(key_, holder_base));
+    return new_holder->pointer();
+  }
+
+  // A key pthreads uses for looking up per-thread values.
+  const pthread_key_t key_;
+  const T default_;  // The default value for each thread.
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ThreadLocal);
+};
+
+# define GTEST_IS_THREADSAFE 1
+
+#else  // GTEST_HAS_PTHREAD
+
+// A dummy implementation of synchronization primitives (mutex, lock,
+// and thread-local variable).  Necessary for compiling Google Test where
+// mutex is not supported - using Google Test in multiple threads is not
+// supported on such platforms.
+
+class Mutex {
+ public:
+  Mutex() {}
+  void Lock() {}
+  void Unlock() {}
+  void AssertHeld() const {}
+};
+
+# define GTEST_DECLARE_STATIC_MUTEX_(mutex) \
+  extern ::testing::internal::Mutex mutex
+
+# define GTEST_DEFINE_STATIC_MUTEX_(mutex) ::testing::internal::Mutex mutex
+
+class GTestMutexLock {
+ public:
+  explicit GTestMutexLock(Mutex*) {}  // NOLINT
+};
+
+typedef GTestMutexLock MutexLock;
+
+template <typename T>
+class ThreadLocal {
+ public:
+  ThreadLocal() : value_() {}
+  explicit ThreadLocal(const T& value) : value_(value) {}
+  T* pointer() { return &value_; }
+  const T* pointer() const { return &value_; }
+  const T& get() const { return value_; }
+  void set(const T& value) { value_ = value; }
+ private:
+  T value_;
+};
+
+// The above synchronization primitives have dummy implementations.
+// Therefore Google Test is not thread-safe.
+# define GTEST_IS_THREADSAFE 0
+
+#endif  // GTEST_HAS_PTHREAD
+
+// Returns the number of threads running in the process, or 0 to indicate that
+// we cannot detect it.
+GTEST_API_ size_t GetThreadCount();
+
+// Passing non-POD classes through ellipsis (...) crashes the ARM
+// compiler and generates a warning in Sun Studio.  The Nokia Symbian
+// and the IBM XL C/C++ compiler try to instantiate a copy constructor
+// for objects passed through ellipsis (...), failing for uncopyable
+// objects.  We define this to ensure that only POD is passed through
+// ellipsis on these systems.
+#if defined(__SYMBIAN32__) || defined(__IBMCPP__) || defined(__SUNPRO_CC)
+// We lose support for NULL detection where the compiler doesn't like
+// passing non-POD classes through ellipsis (...).
+# define GTEST_ELLIPSIS_NEEDS_POD_ 1
+#else
+# define GTEST_CAN_COMPARE_NULL 1
+#endif
+
+// The Nokia Symbian and IBM XL C/C++ compilers cannot decide between
+// const T& and const T* in a function template.  These compilers
+// _can_ decide between class template specializations for T and T*,
+// so a tr1::type_traits-like is_pointer works.
+#if defined(__SYMBIAN32__) || defined(__IBMCPP__)
+# define GTEST_NEEDS_IS_POINTER_ 1
+#endif
+
+template <bool bool_value>
+struct bool_constant {
+  typedef bool_constant<bool_value> type;
+  static const bool value = bool_value;
+};
+template <bool bool_value> const bool bool_constant<bool_value>::value;
+
+typedef bool_constant<false> false_type;
+typedef bool_constant<true> true_type;
+
+template <typename T>
+struct is_pointer : public false_type {};
+
+template <typename T>
+struct is_pointer<T*> : public true_type {};
+
+template <typename Iterator>
+struct IteratorTraits {
+  typedef typename Iterator::value_type value_type;
+};
+
+template <typename T>
+struct IteratorTraits<T*> {
+  typedef T value_type;
+};
+
+template <typename T>
+struct IteratorTraits<const T*> {
+  typedef T value_type;
+};
+
+#if GTEST_OS_WINDOWS
+# define GTEST_PATH_SEP_ "\\"
+# define GTEST_HAS_ALT_PATH_SEP_ 1
+// The biggest signed integer type the compiler supports.
+typedef __int64 BiggestInt;
+#else
+# define GTEST_PATH_SEP_ "/"
+# define GTEST_HAS_ALT_PATH_SEP_ 0
+typedef long long BiggestInt;  // NOLINT
+#endif  // GTEST_OS_WINDOWS
+
+// Utilities for char.
+
+// isspace(int ch) and friends accept an unsigned char or EOF.  char
+// may be signed, depending on the compiler (or compiler flags).
+// Therefore we need to cast a char to unsigned char before calling
+// isspace(), etc.
+
+inline bool IsAlpha(char ch) {
+  return isalpha(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsAlNum(char ch) {
+  return isalnum(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsDigit(char ch) {
+  return isdigit(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsLower(char ch) {
+  return islower(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsSpace(char ch) {
+  return isspace(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsUpper(char ch) {
+  return isupper(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsXDigit(char ch) {
+  return isxdigit(static_cast<unsigned char>(ch)) != 0;
+}
+inline bool IsXDigit(wchar_t ch) {
+  const unsigned char low_byte = static_cast<unsigned char>(ch);
+  return ch == low_byte && isxdigit(low_byte) != 0;
+}
+
+inline char ToLower(char ch) {
+  return static_cast<char>(tolower(static_cast<unsigned char>(ch)));
+}
+inline char ToUpper(char ch) {
+  return static_cast<char>(toupper(static_cast<unsigned char>(ch)));
+}
+
+// The testing::internal::posix namespace holds wrappers for common
+// POSIX functions.  These wrappers hide the differences between
+// Windows/MSVC and POSIX systems.  Since some compilers define these
+// standard functions as macros, the wrapper cannot have the same name
+// as the wrapped function.
+
+namespace posix {
+
+// Functions with a different name on Windows.
+
+#if GTEST_OS_WINDOWS
+
+typedef struct _stat StatStruct;
+
+# ifdef __BORLANDC__
+inline int IsATTY(int fd) { return isatty(fd); }
+inline int StrCaseCmp(const char* s1, const char* s2) {
+  return stricmp(s1, s2);
+}
+inline char* StrDup(const char* src) { return strdup(src); }
+# else  // !__BORLANDC__
+#  if GTEST_OS_WINDOWS_MOBILE
+inline int IsATTY(int /* fd */) { return 0; }
+#  else
+inline int IsATTY(int fd) { return _isatty(fd); }
+#  endif  // GTEST_OS_WINDOWS_MOBILE
+inline int StrCaseCmp(const char* s1, const char* s2) {
+  return _stricmp(s1, s2);
+}
+inline char* StrDup(const char* src) { return _strdup(src); }
+# endif  // __BORLANDC__
+
+# if GTEST_OS_WINDOWS_MOBILE
+inline int FileNo(FILE* file) { return reinterpret_cast<int>(_fileno(file)); }
+// Stat(), RmDir(), and IsDir() are not needed on Windows CE at this
+// time and thus not defined there.
+# else
+inline int FileNo(FILE* file) { return _fileno(file); }
+inline int Stat(const char* path, StatStruct* buf) { return _stat(path, buf); }
+inline int RmDir(const char* dir) { return _rmdir(dir); }
+inline bool IsDir(const StatStruct& st) {
+  return (_S_IFDIR & st.st_mode) != 0;
+}
+# endif  // GTEST_OS_WINDOWS_MOBILE
+
+#else
+
+typedef struct stat StatStruct;
+
+inline int FileNo(FILE* file) { return fileno(file); }
+inline int IsATTY(int fd) { return isatty(fd); }
+inline int Stat(const char* path, StatStruct* buf) { return stat(path, buf); }
+inline int StrCaseCmp(const char* s1, const char* s2) {
+  return strcasecmp(s1, s2);
+}
+inline char* StrDup(const char* src) { return strdup(src); }
+inline int RmDir(const char* dir) { return rmdir(dir); }
+inline bool IsDir(const StatStruct& st) { return S_ISDIR(st.st_mode); }
+
+#endif  // GTEST_OS_WINDOWS
+
+// Functions deprecated by MSVC 8.0.
+
+#ifdef _MSC_VER
+// Temporarily disable warning 4996 (deprecated function).
+# pragma warning(push)
+# pragma warning(disable:4996)
+#endif
+
+inline const char* StrNCpy(char* dest, const char* src, size_t n) {
+  return strncpy(dest, src, n);
+}
+
+// ChDir(), FReopen(), FDOpen(), Read(), Write(), Close(), and
+// StrError() aren't needed on Windows CE at this time and thus not
+// defined there.
+
+#if !GTEST_OS_WINDOWS_MOBILE
+inline int ChDir(const char* dir) { return chdir(dir); }
+#endif
+inline FILE* FOpen(const char* path, const char* mode) {
+  return fopen(path, mode);
+}
+#if !GTEST_OS_WINDOWS_MOBILE
+inline FILE *FReopen(const char* path, const char* mode, FILE* stream) {
+  return freopen(path, mode, stream);
+}
+inline FILE* FDOpen(int fd, const char* mode) { return fdopen(fd, mode); }
+#endif
+inline int FClose(FILE* fp) { return fclose(fp); }
+#if !GTEST_OS_WINDOWS_MOBILE
+inline int Read(int fd, void* buf, unsigned int count) {
+  return static_cast<int>(read(fd, buf, count));
+}
+inline int Write(int fd, const void* buf, unsigned int count) {
+  return static_cast<int>(write(fd, buf, count));
+}
+inline int Close(int fd) { return close(fd); }
+inline const char* StrError(int errnum) { return strerror(errnum); }
+#endif
+inline const char* GetEnv(const char* name) {
+#if GTEST_OS_WINDOWS_MOBILE
+  // We are on Windows CE, which has no environment variables.
+  return NULL;
+#elif defined(__BORLANDC__) || defined(__SunOS_5_8) || defined(__SunOS_5_9)
+  // Environment variables which we programmatically clear will be set to the
+  // empty string rather than unset (NULL).  Handle that case.
+  const char* const env = getenv(name);
+  return (env != NULL && env[0] != '\0') ? env : NULL;
+#else
+  return getenv(name);
+#endif
+}
+
+#ifdef _MSC_VER
+# pragma warning(pop)  // Restores the warning state.
+#endif
+
+#if GTEST_OS_WINDOWS_MOBILE
+// Windows CE has no C library. The abort() function is used in
+// several places in Google Test. This implementation provides a reasonable
+// imitation of standard behaviour.
+void Abort();
+#else
+inline void Abort() { abort(); }
+#endif  // GTEST_OS_WINDOWS_MOBILE
+
+}  // namespace posix
+
+// MSVC "deprecates" snprintf and issues warnings wherever it is used.  In
+// order to avoid these warnings, we need to use _snprintf or _snprintf_s on
+// MSVC-based platforms.  We map the GTEST_SNPRINTF_ macro to the appropriate
+// function in order to achieve that.  We use macro definition here because
+// snprintf is a variadic function.
+#if _MSC_VER >= 1400 && !GTEST_OS_WINDOWS_MOBILE
+// MSVC 2005 and above support variadic macros.
+# define GTEST_SNPRINTF_(buffer, size, format, ...) \
+     _snprintf_s(buffer, size, size, format, __VA_ARGS__)
+#elif defined(_MSC_VER)
+// Windows CE does not define _snprintf_s and MSVC prior to 2005 doesn't
+// complain about _snprintf.
+# define GTEST_SNPRINTF_ _snprintf
+#else
+# define GTEST_SNPRINTF_ snprintf
+#endif
+
+// The maximum number a BiggestInt can represent.  This definition
+// works no matter BiggestInt is represented in one's complement or
+// two's complement.
+//
+// We cannot rely on numeric_limits in STL, as __int64 and long long
+// are not part of standard C++ and numeric_limits doesn't need to be
+// defined for them.
+const BiggestInt kMaxBiggestInt =
+    ~(static_cast<BiggestInt>(1) << (8*sizeof(BiggestInt) - 1));
+
+// This template class serves as a compile-time function from size to
+// type.  It maps a size in bytes to a primitive type with that
+// size. e.g.
+//
+//   TypeWithSize<4>::UInt
+//
+// is typedef-ed to be unsigned int (unsigned integer made up of 4
+// bytes).
+//
+// Such functionality should belong to STL, but I cannot find it
+// there.
+//
+// Google Test uses this class in the implementation of floating-point
+// comparison.
+//
+// For now it only handles UInt (unsigned int) as that's all Google Test
+// needs.  Other types can be easily added in the future if need
+// arises.
+template <size_t size>
+class TypeWithSize {
+ public:
+  // This prevents the user from using TypeWithSize<N> with incorrect
+  // values of N.
+  typedef void UInt;
+};
+
+// The specialization for size 4.
+template <>
+class TypeWithSize<4> {
+ public:
+  // unsigned int has size 4 in both gcc and MSVC.
+  //
+  // As base/basictypes.h doesn't compile on Windows, we cannot use
+  // uint32, uint64, and etc here.
+  typedef int Int;
+  typedef unsigned int UInt;
+};
+
+// The specialization for size 8.
+template <>
+class TypeWithSize<8> {
+ public:
+#if GTEST_OS_WINDOWS
+  typedef __int64 Int;
+  typedef unsigned __int64 UInt;
+#else
+  typedef long long Int;  // NOLINT
+  typedef unsigned long long UInt;  // NOLINT
+#endif  // GTEST_OS_WINDOWS
+};
+
+// Integer types of known sizes.
+typedef TypeWithSize<4>::Int Int32;
+typedef TypeWithSize<4>::UInt UInt32;
+typedef TypeWithSize<8>::Int Int64;
+typedef TypeWithSize<8>::UInt UInt64;
+typedef TypeWithSize<8>::Int TimeInMillis;  // Represents time in milliseconds.
+
+// Utilities for command line flags and environment variables.
+
+// Macro for referencing flags.
+#define GTEST_FLAG(name) FLAGS_gtest_##name
+
+// Macros for declaring flags.
+#define GTEST_DECLARE_bool_(name) GTEST_API_ extern bool GTEST_FLAG(name)
+#define GTEST_DECLARE_int32_(name) \
+    GTEST_API_ extern ::testing::internal::Int32 GTEST_FLAG(name)
+#define GTEST_DECLARE_string_(name) \
+    GTEST_API_ extern ::std::string GTEST_FLAG(name)
+
+// Macros for defining flags.
+#define GTEST_DEFINE_bool_(name, default_val, doc) \
+    GTEST_API_ bool GTEST_FLAG(name) = (default_val)
+#define GTEST_DEFINE_int32_(name, default_val, doc) \
+    GTEST_API_ ::testing::internal::Int32 GTEST_FLAG(name) = (default_val)
+#define GTEST_DEFINE_string_(name, default_val, doc) \
+    GTEST_API_ ::std::string GTEST_FLAG(name) = (default_val)
+
+// Thread annotations
+#define GTEST_EXCLUSIVE_LOCK_REQUIRED_(locks)
+#define GTEST_LOCK_EXCLUDED_(locks)
+
+// Parses 'str' for a 32-bit signed integer.  If successful, writes the result
+// to *value and returns true; otherwise leaves *value unchanged and returns
+// false.
+// TODO(chandlerc): Find a better way to refactor flag and environment parsing
+// out of both gtest-port.cc and gtest.cc to avoid exporting this utility
+// function.
+bool ParseInt32(const Message& src_text, const char* str, Int32* value);
+
+// Parses a bool/Int32/string from the environment variable
+// corresponding to the given Google Test flag.
+bool BoolFromGTestEnv(const char* flag, bool default_val);
+GTEST_API_ Int32 Int32FromGTestEnv(const char* flag, Int32 default_val);
+const char* StringFromGTestEnv(const char* flag, const char* default_val);
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
+
+#if GTEST_OS_LINUX
+# include <stdlib.h>
+# include <sys/types.h>
+# include <sys/wait.h>
+# include <unistd.h>
+#endif  // GTEST_OS_LINUX
+
+#if GTEST_HAS_EXCEPTIONS
+# include <stdexcept>
+#endif
+
+#include <ctype.h>
+#include <float.h>
+#include <string.h>
+#include <iomanip>
+#include <limits>
+#include <set>
+
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file defines the Message class.
+//
+// IMPORTANT NOTE: Due to limitation of the C++ language, we have to
+// leave some internal implementation details in this header file.
+// They are clearly marked by comments like this:
+//
+//   // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+//
+// Such code is NOT meant to be used by a user directly, and is subject
+// to CHANGE WITHOUT NOTICE.  Therefore DO NOT DEPEND ON IT in a user
+// program!
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
+#define GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
+
+#include <limits>
+
+
+// Ensures that there is at least one operator<< in the global namespace.
+// See Message& operator<<(...) below for why.
+void operator<<(const testing::internal::Secret&, int);
+
+namespace testing {
+
+// The Message class works like an ostream repeater.
+//
+// Typical usage:
+//
+//   1. You stream a bunch of values to a Message object.
+//      It will remember the text in a stringstream.
+//   2. Then you stream the Message object to an ostream.
+//      This causes the text in the Message to be streamed
+//      to the ostream.
+//
+// For example;
+//
+//   testing::Message foo;
+//   foo << 1 << " != " << 2;
+//   std::cout << foo;
+//
+// will print "1 != 2".
+//
+// Message is not intended to be inherited from.  In particular, its
+// destructor is not virtual.
+//
+// Note that stringstream behaves differently in gcc and in MSVC.  You
+// can stream a NULL char pointer to it in the former, but not in the
+// latter (it causes an access violation if you do).  The Message
+// class hides this difference by treating a NULL char pointer as
+// "(null)".
+class GTEST_API_ Message {
+ private:
+  // The type of basic IO manipulators (endl, ends, and flush) for
+  // narrow streams.
+  typedef std::ostream& (*BasicNarrowIoManip)(std::ostream&);
+
+ public:
+  // Constructs an empty Message.
+  Message();
+
+  // Copy constructor.
+  Message(const Message& msg) : ss_(new ::std::stringstream) {  // NOLINT
+    *ss_ << msg.GetString();
+  }
+
+  // Constructs a Message from a C-string.
+  explicit Message(const char* str) : ss_(new ::std::stringstream) {
+    *ss_ << str;
+  }
+
+#if GTEST_OS_SYMBIAN
+  // Streams a value (either a pointer or not) to this object.
+  template <typename T>
+  inline Message& operator <<(const T& value) {
+    StreamHelper(typename internal::is_pointer<T>::type(), value);
+    return *this;
+  }
+#else
+  // Streams a non-pointer value to this object.
+  template <typename T>
+  inline Message& operator <<(const T& val) {
+    // Some libraries overload << for STL containers.  These
+    // overloads are defined in the global namespace instead of ::std.
+    //
+    // C++'s symbol lookup rule (i.e. Koenig lookup) says that these
+    // overloads are visible in either the std namespace or the global
+    // namespace, but not other namespaces, including the testing
+    // namespace which Google Test's Message class is in.
+    //
+    // To allow STL containers (and other types that has a << operator
+    // defined in the global namespace) to be used in Google Test
+    // assertions, testing::Message must access the custom << operator
+    // from the global namespace.  With this using declaration,
+    // overloads of << defined in the global namespace and those
+    // visible via Koenig lookup are both exposed in this function.
+    using ::operator <<;
+    *ss_ << val;
+    return *this;
+  }
+
+  // Streams a pointer value to this object.
+  //
+  // This function is an overload of the previous one.  When you
+  // stream a pointer to a Message, this definition will be used as it
+  // is more specialized.  (The C++ Standard, section
+  // [temp.func.order].)  If you stream a non-pointer, then the
+  // previous definition will be used.
+  //
+  // The reason for this overload is that streaming a NULL pointer to
+  // ostream is undefined behavior.  Depending on the compiler, you
+  // may get "0", "(nil)", "(null)", or an access violation.  To
+  // ensure consistent result across compilers, we always treat NULL
+  // as "(null)".
+  template <typename T>
+  inline Message& operator <<(T* const& pointer) {  // NOLINT
+    if (pointer == NULL) {
+      *ss_ << "(null)";
+    } else {
+      *ss_ << pointer;
+    }
+    return *this;
+  }
+#endif  // GTEST_OS_SYMBIAN
+
+  // Since the basic IO manipulators are overloaded for both narrow
+  // and wide streams, we have to provide this specialized definition
+  // of operator <<, even though its body is the same as the
+  // templatized version above.  Without this definition, streaming
+  // endl or other basic IO manipulators to Message will confuse the
+  // compiler.
+  Message& operator <<(BasicNarrowIoManip val) {
+    *ss_ << val;
+    return *this;
+  }
+
+  // Instead of 1/0, we want to see true/false for bool values.
+  Message& operator <<(bool b) {
+    return *this << (b ? "true" : "false");
+  }
+
+  // These two overloads allow streaming a wide C string to a Message
+  // using the UTF-8 encoding.
+  Message& operator <<(const wchar_t* wide_c_str);
+  Message& operator <<(wchar_t* wide_c_str);
+
+#if GTEST_HAS_STD_WSTRING
+  // Converts the given wide string to a narrow string using the UTF-8
+  // encoding, and streams the result to this Message object.
+  Message& operator <<(const ::std::wstring& wstr);
+#endif  // GTEST_HAS_STD_WSTRING
+
+#if GTEST_HAS_GLOBAL_WSTRING
+  // Converts the given wide string to a narrow string using the UTF-8
+  // encoding, and streams the result to this Message object.
+  Message& operator <<(const ::wstring& wstr);
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+  // Gets the text streamed to this object so far as an std::string.
+  // Each '\0' character in the buffer is replaced with "\\0".
+  //
+  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+  std::string GetString() const;
+
+ private:
+
+#if GTEST_OS_SYMBIAN
+  // These are needed as the Nokia Symbian Compiler cannot decide between
+  // const T& and const T* in a function template. The Nokia compiler _can_
+  // decide between class template specializations for T and T*, so a
+  // tr1::type_traits-like is_pointer works, and we can overload on that.
+  template <typename T>
+  inline void StreamHelper(internal::true_type /*is_pointer*/, T* pointer) {
+    if (pointer == NULL) {
+      *ss_ << "(null)";
+    } else {
+      *ss_ << pointer;
+    }
+  }
+  template <typename T>
+  inline void StreamHelper(internal::false_type /*is_pointer*/,
+                           const T& value) {
+    // See the comments in Message& operator <<(const T&) above for why
+    // we need this using statement.
+    using ::operator <<;
+    *ss_ << value;
+  }
+#endif  // GTEST_OS_SYMBIAN
+
+  // We'll hold the text streamed to this object here.
+  const internal::scoped_ptr< ::std::stringstream> ss_;
+
+  // We declare (but don't implement) this to prevent the compiler
+  // from implementing the assignment operator.
+  void operator=(const Message&);
+};
+
+// Streams a Message to an ostream.
+inline std::ostream& operator <<(std::ostream& os, const Message& sb) {
+  return os << sb.GetString();
+}
+
+namespace internal {
+
+// Converts a streamable value to an std::string.  A NULL pointer is
+// converted to "(null)".  When the input value is a ::string,
+// ::std::string, ::wstring, or ::std::wstring object, each NUL
+// character in it is replaced with "\\0".
+template <typename T>
+std::string StreamableToString(const T& streamable) {
+  return (Message() << streamable).GetString();
+}
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file declares the String class and functions used internally by
+// Google Test.  They are subject to change without notice. They should not used
+// by code external to Google Test.
+//
+// This header file is #included by <gtest/internal/gtest-internal.h>.
+// It should not be #included by other files.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
+
+#ifdef __BORLANDC__
+// string.h is not guaranteed to provide strcpy on C++ Builder.
+# include <mem.h>
+#endif
+
+#include <string.h>
+#include <string>
+
+
+namespace testing {
+namespace internal {
+
+// String - an abstract class holding static string utilities.
+class GTEST_API_ String {
+ public:
+  // Static utility methods
+
+  // Clones a 0-terminated C string, allocating memory using new.  The
+  // caller is responsible for deleting the return value using
+  // delete[].  Returns the cloned string, or NULL if the input is
+  // NULL.
+  //
+  // This is different from strdup() in string.h, which allocates
+  // memory using malloc().
+  static const char* CloneCString(const char* c_str);
+
+#if GTEST_OS_WINDOWS_MOBILE
+  // Windows CE does not have the 'ANSI' versions of Win32 APIs. To be
+  // able to pass strings to Win32 APIs on CE we need to convert them
+  // to 'Unicode', UTF-16.
+
+  // Creates a UTF-16 wide string from the given ANSI string, allocating
+  // memory using new. The caller is responsible for deleting the return
+  // value using delete[]. Returns the wide string, or NULL if the
+  // input is NULL.
+  //
+  // The wide string is created using the ANSI codepage (CP_ACP) to
+  // match the behaviour of the ANSI versions of Win32 calls and the
+  // C runtime.
+  static LPCWSTR AnsiToUtf16(const char* c_str);
+
+  // Creates an ANSI string from the given wide string, allocating
+  // memory using new. The caller is responsible for deleting the return
+  // value using delete[]. Returns the ANSI string, or NULL if the
+  // input is NULL.
+  //
+  // The returned string is created using the ANSI codepage (CP_ACP) to
+  // match the behaviour of the ANSI versions of Win32 calls and the
+  // C runtime.
+  static const char* Utf16ToAnsi(LPCWSTR utf16_str);
+#endif
+
+  // Compares two C strings.  Returns true iff they have the same content.
+  //
+  // Unlike strcmp(), this function can handle NULL argument(s).  A
+  // NULL C string is considered different to any non-NULL C string,
+  // including the empty string.
+  static bool CStringEquals(const char* lhs, const char* rhs);
+
+  // Converts a wide C string to a String using the UTF-8 encoding.
+  // NULL will be converted to "(null)".  If an error occurred during
+  // the conversion, "(failed to convert from wide string)" is
+  // returned.
+  static std::string ShowWideCString(const wchar_t* wide_c_str);
+
+  // Compares two wide C strings.  Returns true iff they have the same
+  // content.
+  //
+  // Unlike wcscmp(), this function can handle NULL argument(s).  A
+  // NULL C string is considered different to any non-NULL C string,
+  // including the empty string.
+  static bool WideCStringEquals(const wchar_t* lhs, const wchar_t* rhs);
+
+  // Compares two C strings, ignoring case.  Returns true iff they
+  // have the same content.
+  //
+  // Unlike strcasecmp(), this function can handle NULL argument(s).
+  // A NULL C string is considered different to any non-NULL C string,
+  // including the empty string.
+  static bool CaseInsensitiveCStringEquals(const char* lhs,
+                                           const char* rhs);
+
+  // Compares two wide C strings, ignoring case.  Returns true iff they
+  // have the same content.
+  //
+  // Unlike wcscasecmp(), this function can handle NULL argument(s).
+  // A NULL C string is considered different to any non-NULL wide C string,
+  // including the empty string.
+  // NB: The implementations on different platforms slightly differ.
+  // On windows, this method uses _wcsicmp which compares according to LC_CTYPE
+  // environment variable. On GNU platform this method uses wcscasecmp
+  // which compares according to LC_CTYPE category of the current locale.
+  // On MacOS X, it uses towlower, which also uses LC_CTYPE category of the
+  // current locale.
+  static bool CaseInsensitiveWideCStringEquals(const wchar_t* lhs,
+                                               const wchar_t* rhs);
+
+  // Returns true iff the given string ends with the given suffix, ignoring
+  // case. Any string is considered to end with an empty suffix.
+  static bool EndsWithCaseInsensitive(
+      const std::string& str, const std::string& suffix);
+
+  // Formats an int value as "%02d".
+  static std::string FormatIntWidth2(int value);  // "%02d" for width == 2
+
+  // Formats an int value as "%X".
+  static std::string FormatHexInt(int value);
+
+  // Formats a byte as "%02X".
+  static std::string FormatByte(unsigned char value);
+
+ private:
+  String();  // Not meant to be instantiated.
+};  // class String
+
+// Gets the content of the stringstream's buffer as an std::string.  Each '\0'
+// character in the buffer is replaced with "\\0".
+GTEST_API_ std::string StringStreamToString(::std::stringstream* stream);
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: keith.ray@gmail.com (Keith Ray)
+//
+// Google Test filepath utilities
+//
+// This header file declares classes and functions used internally by
+// Google Test.  They are subject to change without notice.
+//
+// This file is #included in <gtest/internal/gtest-internal.h>.
+// Do not include this header file separately!
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
+
+
+namespace testing {
+namespace internal {
+
+// FilePath - a class for file and directory pathname manipulation which
+// handles platform-specific conventions (like the pathname separator).
+// Used for helper functions for naming files in a directory for xml output.
+// Except for Set methods, all methods are const or static, which provides an
+// "immutable value object" -- useful for peace of mind.
+// A FilePath with a value ending in a path separator ("like/this/") represents
+// a directory, otherwise it is assumed to represent a file. In either case,
+// it may or may not represent an actual file or directory in the file system.
+// Names are NOT checked for syntax correctness -- no checking for illegal
+// characters, malformed paths, etc.
+
+class GTEST_API_ FilePath {
+ public:
+  FilePath() : pathname_("") { }
+  FilePath(const FilePath& rhs) : pathname_(rhs.pathname_) { }
+
+  explicit FilePath(const std::string& pathname) : pathname_(pathname) {
+    Normalize();
+  }
+
+  FilePath& operator=(const FilePath& rhs) {
+    Set(rhs);
+    return *this;
+  }
+
+  void Set(const FilePath& rhs) {
+    pathname_ = rhs.pathname_;
+  }
+
+  const std::string& string() const { return pathname_; }
+  const char* c_str() const { return pathname_.c_str(); }
+
+  // Returns the current working directory, or "" if unsuccessful.
+  static FilePath GetCurrentDir();
+
+  // Given directory = "dir", base_name = "test", number = 0,
+  // extension = "xml", returns "dir/test.xml". If number is greater
+  // than zero (e.g., 12), returns "dir/test_12.xml".
+  // On Windows platform, uses \ as the separator rather than /.
+  static FilePath MakeFileName(const FilePath& directory,
+                               const FilePath& base_name,
+                               int number,
+                               const char* extension);
+
+  // Given directory = "dir", relative_path = "test.xml",
+  // returns "dir/test.xml".
+  // On Windows, uses \ as the separator rather than /.
+  static FilePath ConcatPaths(const FilePath& directory,
+                              const FilePath& relative_path);
+
+  // Returns a pathname for a file that does not currently exist. The pathname
+  // will be directory/base_name.extension or
+  // directory/base_name_<number>.extension if directory/base_name.extension
+  // already exists. The number will be incremented until a pathname is found
+  // that does not already exist.
+  // Examples: 'dir/foo_test.xml' or 'dir/foo_test_1.xml'.
+  // There could be a race condition if two or more processes are calling this
+  // function at the same time -- they could both pick the same filename.
+  static FilePath GenerateUniqueFileName(const FilePath& directory,
+                                         const FilePath& base_name,
+                                         const char* extension);
+
+  // Returns true iff the path is "".
+  bool IsEmpty() const { return pathname_.empty(); }
+
+  // If input name has a trailing separator character, removes it and returns
+  // the name, otherwise return the name string unmodified.
+  // On Windows platform, uses \ as the separator, other platforms use /.
+  FilePath RemoveTrailingPathSeparator() const;
+
+  // Returns a copy of the FilePath with the directory part removed.
+  // Example: FilePath("path/to/file").RemoveDirectoryName() returns
+  // FilePath("file"). If there is no directory part ("just_a_file"), it returns
+  // the FilePath unmodified. If there is no file part ("just_a_dir/") it
+  // returns an empty FilePath ("").
+  // On Windows platform, '\' is the path separator, otherwise it is '/'.
+  FilePath RemoveDirectoryName() const;
+
+  // RemoveFileName returns the directory path with the filename removed.
+  // Example: FilePath("path/to/file").RemoveFileName() returns "path/to/".
+  // If the FilePath is "a_file" or "/a_file", RemoveFileName returns
+  // FilePath("./") or, on Windows, FilePath(".\\"). If the filepath does
+  // not have a file, like "just/a/dir/", it returns the FilePath unmodified.
+  // On Windows platform, '\' is the path separator, otherwise it is '/'.
+  FilePath RemoveFileName() const;
+
+  // Returns a copy of the FilePath with the case-insensitive extension removed.
+  // Example: FilePath("dir/file.exe").RemoveExtension("EXE") returns
+  // FilePath("dir/file"). If a case-insensitive extension is not
+  // found, returns a copy of the original FilePath.
+  FilePath RemoveExtension(const char* extension) const;
+
+  // Creates directories so that path exists. Returns true if successful or if
+  // the directories already exist; returns false if unable to create
+  // directories for any reason. Will also return false if the FilePath does
+  // not represent a directory (that is, it doesn't end with a path separator).
+  bool CreateDirectoriesRecursively() const;
+
+  // Create the directory so that path exists. Returns true if successful or
+  // if the directory already exists; returns false if unable to create the
+  // directory for any reason, including if the parent directory does not
+  // exist. Not named "CreateDirectory" because that's a macro on Windows.
+  bool CreateFolder() const;
+
+  // Returns true if FilePath describes something in the file-system,
+  // either a file, directory, or whatever, and that something exists.
+  bool FileOrDirectoryExists() const;
+
+  // Returns true if pathname describes a directory in the file-system
+  // that exists.
+  bool DirectoryExists() const;
+
+  // Returns true if FilePath ends with a path separator, which indicates that
+  // it is intended to represent a directory. Returns false otherwise.
+  // This does NOT check that a directory (or file) actually exists.
+  bool IsDirectory() const;
+
+  // Returns true if pathname describes a root directory. (Windows has one
+  // root directory per disk drive.)
+  bool IsRootDirectory() const;
+
+  // Returns true if pathname describes an absolute path.
+  bool IsAbsolutePath() const;
+
+ private:
+  // Replaces multiple consecutive separators with a single separator.
+  // For example, "bar///foo" becomes "bar/foo". Does not eliminate other
+  // redundancies that might be in a pathname involving "." or "..".
+  //
+  // A pathname with multiple consecutive separators may occur either through
+  // user error or as a result of some scripts or APIs that generate a pathname
+  // with a trailing separator. On other platforms the same API or script
+  // may NOT generate a pathname with a trailing "/". Then elsewhere that
+  // pathname may have another "/" and pathname components added to it,
+  // without checking for the separator already being there.
+  // The script language and operating system may allow paths like "foo//bar"
+  // but some of the functions in FilePath will not handle that correctly. In
+  // particular, RemoveTrailingPathSeparator() only removes one separator, and
+  // it is called in CreateDirectoriesRecursively() assuming that it will change
+  // a pathname from directory syntax (trailing separator) to filename syntax.
+  //
+  // On Windows this method also replaces the alternate path separator '/' with
+  // the primary path separator '\\', so that for example "bar\\/\\foo" becomes
+  // "bar\\foo".
+
+  void Normalize();
+
+  // Returns a pointer to the last occurrence of a valid path separator in
+  // the FilePath. On Windows, for example, both '/' and '\' are valid path
+  // separators. Returns NULL if no path separator was found.
+  const char* FindLastPathSeparator() const;
+
+  std::string pathname_;
+};  // class FilePath
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
+// This file was GENERATED by command:
+//     pump.py gtest-type-util.h.pump
+// DO NOT EDIT BY HAND!!!
+
+// Copyright 2008 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+// Type utilities needed for implementing typed and type-parameterized
+// tests.  This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
+//
+// Currently we support at most 50 types in a list, and at most 50
+// type-parameterized tests in one type-parameterized test case.
+// Please contact googletestframework@googlegroups.com if you need
+// more.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
+
+
+// #ifdef __GNUC__ is too general here.  It is possible to use gcc without using
+// libstdc++ (which is where cxxabi.h comes from).
+# if GTEST_HAS_CXXABI_H_
+#  include <cxxabi.h>
+# elif defined(__HP_aCC)
+#  include <acxx_demangle.h>
+# endif  // GTEST_HASH_CXXABI_H_
+
+namespace testing {
+namespace internal {
+
+// GetTypeName<T>() returns a human-readable name of type T.
+// NB: This function is also used in Google Mock, so don't move it inside of
+// the typed-test-only section below.
+template <typename T>
+std::string GetTypeName() {
+# if GTEST_HAS_RTTI
+
+  const char* const name = typeid(T).name();
+#  if GTEST_HAS_CXXABI_H_ || defined(__HP_aCC)
+  int status = 0;
+  // gcc's implementation of typeid(T).name() mangles the type name,
+  // so we have to demangle it.
+#   if GTEST_HAS_CXXABI_H_
+  using abi::__cxa_demangle;
+#   endif  // GTEST_HAS_CXXABI_H_
+  char* const readable_name = __cxa_demangle(name, 0, 0, &status);
+  const std::string name_str(status == 0 ? readable_name : name);
+  free(readable_name);
+  return name_str;
+#  else
+  return name;
+#  endif  // GTEST_HAS_CXXABI_H_ || __HP_aCC
+
+# else
+
+  return "<type>";
+
+# endif  // GTEST_HAS_RTTI
+}
+
+#if GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
+
+// AssertyTypeEq<T1, T2>::type is defined iff T1 and T2 are the same
+// type.  This can be used as a compile-time assertion to ensure that
+// two types are equal.
+
+template <typename T1, typename T2>
+struct AssertTypeEq;
+
+template <typename T>
+struct AssertTypeEq<T, T> {
+  typedef bool type;
+};
+
+// A unique type used as the default value for the arguments of class
+// template Types.  This allows us to simulate variadic templates
+// (e.g. Types<int>, Type<int, double>, and etc), which C++ doesn't
+// support directly.
+struct None {};
+
+// The following family of struct and struct templates are used to
+// represent type lists.  In particular, TypesN<T1, T2, ..., TN>
+// represents a type list with N types (T1, T2, ..., and TN) in it.
+// Except for Types0, every struct in the family has two member types:
+// Head for the first type in the list, and Tail for the rest of the
+// list.
+
+// The empty type list.
+struct Types0 {};
+
+// Type lists of length 1, 2, 3, and so on.
+
+template <typename T1>
+struct Types1 {
+  typedef T1 Head;
+  typedef Types0 Tail;
+};
+template <typename T1, typename T2>
+struct Types2 {
+  typedef T1 Head;
+  typedef Types1<T2> Tail;
+};
+
+template <typename T1, typename T2, typename T3>
+struct Types3 {
+  typedef T1 Head;
+  typedef Types2<T2, T3> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4>
+struct Types4 {
+  typedef T1 Head;
+  typedef Types3<T2, T3, T4> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+struct Types5 {
+  typedef T1 Head;
+  typedef Types4<T2, T3, T4, T5> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6>
+struct Types6 {
+  typedef T1 Head;
+  typedef Types5<T2, T3, T4, T5, T6> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7>
+struct Types7 {
+  typedef T1 Head;
+  typedef Types6<T2, T3, T4, T5, T6, T7> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8>
+struct Types8 {
+  typedef T1 Head;
+  typedef Types7<T2, T3, T4, T5, T6, T7, T8> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9>
+struct Types9 {
+  typedef T1 Head;
+  typedef Types8<T2, T3, T4, T5, T6, T7, T8, T9> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10>
+struct Types10 {
+  typedef T1 Head;
+  typedef Types9<T2, T3, T4, T5, T6, T7, T8, T9, T10> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11>
+struct Types11 {
+  typedef T1 Head;
+  typedef Types10<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12>
+struct Types12 {
+  typedef T1 Head;
+  typedef Types11<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13>
+struct Types13 {
+  typedef T1 Head;
+  typedef Types12<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14>
+struct Types14 {
+  typedef T1 Head;
+  typedef Types13<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15>
+struct Types15 {
+  typedef T1 Head;
+  typedef Types14<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16>
+struct Types16 {
+  typedef T1 Head;
+  typedef Types15<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17>
+struct Types17 {
+  typedef T1 Head;
+  typedef Types16<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18>
+struct Types18 {
+  typedef T1 Head;
+  typedef Types17<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19>
+struct Types19 {
+  typedef T1 Head;
+  typedef Types18<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20>
+struct Types20 {
+  typedef T1 Head;
+  typedef Types19<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21>
+struct Types21 {
+  typedef T1 Head;
+  typedef Types20<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22>
+struct Types22 {
+  typedef T1 Head;
+  typedef Types21<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23>
+struct Types23 {
+  typedef T1 Head;
+  typedef Types22<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24>
+struct Types24 {
+  typedef T1 Head;
+  typedef Types23<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25>
+struct Types25 {
+  typedef T1 Head;
+  typedef Types24<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26>
+struct Types26 {
+  typedef T1 Head;
+  typedef Types25<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27>
+struct Types27 {
+  typedef T1 Head;
+  typedef Types26<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28>
+struct Types28 {
+  typedef T1 Head;
+  typedef Types27<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29>
+struct Types29 {
+  typedef T1 Head;
+  typedef Types28<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30>
+struct Types30 {
+  typedef T1 Head;
+  typedef Types29<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31>
+struct Types31 {
+  typedef T1 Head;
+  typedef Types30<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32>
+struct Types32 {
+  typedef T1 Head;
+  typedef Types31<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33>
+struct Types33 {
+  typedef T1 Head;
+  typedef Types32<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34>
+struct Types34 {
+  typedef T1 Head;
+  typedef Types33<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35>
+struct Types35 {
+  typedef T1 Head;
+  typedef Types34<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36>
+struct Types36 {
+  typedef T1 Head;
+  typedef Types35<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37>
+struct Types37 {
+  typedef T1 Head;
+  typedef Types36<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38>
+struct Types38 {
+  typedef T1 Head;
+  typedef Types37<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39>
+struct Types39 {
+  typedef T1 Head;
+  typedef Types38<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40>
+struct Types40 {
+  typedef T1 Head;
+  typedef Types39<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41>
+struct Types41 {
+  typedef T1 Head;
+  typedef Types40<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42>
+struct Types42 {
+  typedef T1 Head;
+  typedef Types41<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43>
+struct Types43 {
+  typedef T1 Head;
+  typedef Types42<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44>
+struct Types44 {
+  typedef T1 Head;
+  typedef Types43<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45>
+struct Types45 {
+  typedef T1 Head;
+  typedef Types44<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46>
+struct Types46 {
+  typedef T1 Head;
+  typedef Types45<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45, T46> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47>
+struct Types47 {
+  typedef T1 Head;
+  typedef Types46<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45, T46, T47> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48>
+struct Types48 {
+  typedef T1 Head;
+  typedef Types47<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45, T46, T47, T48> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49>
+struct Types49 {
+  typedef T1 Head;
+  typedef Types48<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45, T46, T47, T48, T49> Tail;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49, typename T50>
+struct Types50 {
+  typedef T1 Head;
+  typedef Types49<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+      T44, T45, T46, T47, T48, T49, T50> Tail;
+};
+
+
+}  // namespace internal
+
+// We don't want to require the users to write TypesN<...> directly,
+// as that would require them to count the length.  Types<...> is much
+// easier to write, but generates horrible messages when there is a
+// compiler error, as gcc insists on printing out each template
+// argument, even if it has the default value (this means Types<int>
+// will appear as Types<int, None, None, ..., None> in the compiler
+// errors).
+//
+// Our solution is to combine the best part of the two approaches: a
+// user would write Types<T1, ..., TN>, and Google Test will translate
+// that to TypesN<T1, ..., TN> internally to make error messages
+// readable.  The translation is done by the 'type' member of the
+// Types template.
+template <typename T1 = internal::None, typename T2 = internal::None,
+    typename T3 = internal::None, typename T4 = internal::None,
+    typename T5 = internal::None, typename T6 = internal::None,
+    typename T7 = internal::None, typename T8 = internal::None,
+    typename T9 = internal::None, typename T10 = internal::None,
+    typename T11 = internal::None, typename T12 = internal::None,
+    typename T13 = internal::None, typename T14 = internal::None,
+    typename T15 = internal::None, typename T16 = internal::None,
+    typename T17 = internal::None, typename T18 = internal::None,
+    typename T19 = internal::None, typename T20 = internal::None,
+    typename T21 = internal::None, typename T22 = internal::None,
+    typename T23 = internal::None, typename T24 = internal::None,
+    typename T25 = internal::None, typename T26 = internal::None,
+    typename T27 = internal::None, typename T28 = internal::None,
+    typename T29 = internal::None, typename T30 = internal::None,
+    typename T31 = internal::None, typename T32 = internal::None,
+    typename T33 = internal::None, typename T34 = internal::None,
+    typename T35 = internal::None, typename T36 = internal::None,
+    typename T37 = internal::None, typename T38 = internal::None,
+    typename T39 = internal::None, typename T40 = internal::None,
+    typename T41 = internal::None, typename T42 = internal::None,
+    typename T43 = internal::None, typename T44 = internal::None,
+    typename T45 = internal::None, typename T46 = internal::None,
+    typename T47 = internal::None, typename T48 = internal::None,
+    typename T49 = internal::None, typename T50 = internal::None>
+struct Types {
+  typedef internal::Types50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46, T47, T48, T49, T50> type;
+};
+
+template <>
+struct Types<internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types0 type;
+};
+template <typename T1>
+struct Types<T1, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types1<T1> type;
+};
+template <typename T1, typename T2>
+struct Types<T1, T2, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types2<T1, T2> type;
+};
+template <typename T1, typename T2, typename T3>
+struct Types<T1, T2, T3, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types3<T1, T2, T3> type;
+};
+template <typename T1, typename T2, typename T3, typename T4>
+struct Types<T1, T2, T3, T4, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types4<T1, T2, T3, T4> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+struct Types<T1, T2, T3, T4, T5, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types5<T1, T2, T3, T4, T5> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6>
+struct Types<T1, T2, T3, T4, T5, T6, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types6<T1, T2, T3, T4, T5, T6> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7>
+struct Types<T1, T2, T3, T4, T5, T6, T7, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types7<T1, T2, T3, T4, T5, T6, T7> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types8<T1, T2, T3, T4, T5, T6, T7, T8> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types9<T1, T2, T3, T4, T5, T6, T7, T8, T9> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, internal::None,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None, internal::None> {
+  typedef internal::Types43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None, internal::None> {
+  typedef internal::Types44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
+    internal::None, internal::None, internal::None, internal::None,
+    internal::None> {
+  typedef internal::Types45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
+    T46, internal::None, internal::None, internal::None, internal::None> {
+  typedef internal::Types46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
+    T46, T47, internal::None, internal::None, internal::None> {
+  typedef internal::Types47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46, T47> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
+    T46, T47, T48, internal::None, internal::None> {
+  typedef internal::Types48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46, T47, T48> type;
+};
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49>
+struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
+    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
+    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
+    T46, T47, T48, T49, internal::None> {
+  typedef internal::Types49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46, T47, T48, T49> type;
+};
+
+namespace internal {
+
+# define GTEST_TEMPLATE_ template <typename T> class
+
+// The template "selector" struct TemplateSel<Tmpl> is used to
+// represent Tmpl, which must be a class template with one type
+// parameter, as a type.  TemplateSel<Tmpl>::Bind<T>::type is defined
+// as the type Tmpl<T>.  This allows us to actually instantiate the
+// template "selected" by TemplateSel<Tmpl>.
+//
+// This trick is necessary for simulating typedef for class templates,
+// which C++ doesn't support directly.
+template <GTEST_TEMPLATE_ Tmpl>
+struct TemplateSel {
+  template <typename T>
+  struct Bind {
+    typedef Tmpl<T> type;
+  };
+};
+
+# define GTEST_BIND_(TmplSel, T) \
+  TmplSel::template Bind<T>::type
+
+// A unique struct template used as the default value for the
+// arguments of class template Templates.  This allows us to simulate
+// variadic templates (e.g. Templates<int>, Templates<int, double>,
+// and etc), which C++ doesn't support directly.
+template <typename T>
+struct NoneT {};
+
+// The following family of struct and struct templates are used to
+// represent template lists.  In particular, TemplatesN<T1, T2, ...,
+// TN> represents a list of N templates (T1, T2, ..., and TN).  Except
+// for Templates0, every struct in the family has two member types:
+// Head for the selector of the first template in the list, and Tail
+// for the rest of the list.
+
+// The empty template list.
+struct Templates0 {};
+
+// Template lists of length 1, 2, 3, and so on.
+
+template <GTEST_TEMPLATE_ T1>
+struct Templates1 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates0 Tail;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2>
+struct Templates2 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates1<T2> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3>
+struct Templates3 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates2<T2, T3> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4>
+struct Templates4 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates3<T2, T3, T4> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5>
+struct Templates5 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates4<T2, T3, T4, T5> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6>
+struct Templates6 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates5<T2, T3, T4, T5, T6> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7>
+struct Templates7 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates6<T2, T3, T4, T5, T6, T7> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8>
+struct Templates8 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates7<T2, T3, T4, T5, T6, T7, T8> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9>
+struct Templates9 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates8<T2, T3, T4, T5, T6, T7, T8, T9> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10>
+struct Templates10 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates9<T2, T3, T4, T5, T6, T7, T8, T9, T10> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11>
+struct Templates11 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates10<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12>
+struct Templates12 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates11<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13>
+struct Templates13 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates12<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14>
+struct Templates14 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates13<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15>
+struct Templates15 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates14<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16>
+struct Templates16 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates15<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17>
+struct Templates17 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates16<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18>
+struct Templates18 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates17<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19>
+struct Templates19 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates18<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20>
+struct Templates20 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates19<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21>
+struct Templates21 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates20<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22>
+struct Templates22 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates21<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23>
+struct Templates23 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates22<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24>
+struct Templates24 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates23<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25>
+struct Templates25 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates24<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26>
+struct Templates26 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates25<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27>
+struct Templates27 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates26<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28>
+struct Templates28 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates27<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29>
+struct Templates29 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates28<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30>
+struct Templates30 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates29<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31>
+struct Templates31 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates30<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32>
+struct Templates32 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates31<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33>
+struct Templates33 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates32<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34>
+struct Templates34 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates33<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35>
+struct Templates35 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates34<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36>
+struct Templates36 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates35<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37>
+struct Templates37 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates36<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38>
+struct Templates38 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates37<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39>
+struct Templates39 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates38<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40>
+struct Templates40 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates39<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41>
+struct Templates41 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates40<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42>
+struct Templates42 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates41<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43>
+struct Templates43 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates42<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44>
+struct Templates44 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates43<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45>
+struct Templates45 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates44<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46>
+struct Templates46 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates45<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45, T46> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47>
+struct Templates47 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates46<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45, T46, T47> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48>
+struct Templates48 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates47<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45, T46, T47, T48> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
+    GTEST_TEMPLATE_ T49>
+struct Templates49 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates48<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45, T46, T47, T48, T49> Tail;
+};
+
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
+    GTEST_TEMPLATE_ T49, GTEST_TEMPLATE_ T50>
+struct Templates50 {
+  typedef TemplateSel<T1> Head;
+  typedef Templates49<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+      T43, T44, T45, T46, T47, T48, T49, T50> Tail;
+};
+
+
+// We don't want to require the users to write TemplatesN<...> directly,
+// as that would require them to count the length.  Templates<...> is much
+// easier to write, but generates horrible messages when there is a
+// compiler error, as gcc insists on printing out each template
+// argument, even if it has the default value (this means Templates<list>
+// will appear as Templates<list, NoneT, NoneT, ..., NoneT> in the compiler
+// errors).
+//
+// Our solution is to combine the best part of the two approaches: a
+// user would write Templates<T1, ..., TN>, and Google Test will translate
+// that to TemplatesN<T1, ..., TN> internally to make error messages
+// readable.  The translation is done by the 'type' member of the
+// Templates template.
+template <GTEST_TEMPLATE_ T1 = NoneT, GTEST_TEMPLATE_ T2 = NoneT,
+    GTEST_TEMPLATE_ T3 = NoneT, GTEST_TEMPLATE_ T4 = NoneT,
+    GTEST_TEMPLATE_ T5 = NoneT, GTEST_TEMPLATE_ T6 = NoneT,
+    GTEST_TEMPLATE_ T7 = NoneT, GTEST_TEMPLATE_ T8 = NoneT,
+    GTEST_TEMPLATE_ T9 = NoneT, GTEST_TEMPLATE_ T10 = NoneT,
+    GTEST_TEMPLATE_ T11 = NoneT, GTEST_TEMPLATE_ T12 = NoneT,
+    GTEST_TEMPLATE_ T13 = NoneT, GTEST_TEMPLATE_ T14 = NoneT,
+    GTEST_TEMPLATE_ T15 = NoneT, GTEST_TEMPLATE_ T16 = NoneT,
+    GTEST_TEMPLATE_ T17 = NoneT, GTEST_TEMPLATE_ T18 = NoneT,
+    GTEST_TEMPLATE_ T19 = NoneT, GTEST_TEMPLATE_ T20 = NoneT,
+    GTEST_TEMPLATE_ T21 = NoneT, GTEST_TEMPLATE_ T22 = NoneT,
+    GTEST_TEMPLATE_ T23 = NoneT, GTEST_TEMPLATE_ T24 = NoneT,
+    GTEST_TEMPLATE_ T25 = NoneT, GTEST_TEMPLATE_ T26 = NoneT,
+    GTEST_TEMPLATE_ T27 = NoneT, GTEST_TEMPLATE_ T28 = NoneT,
+    GTEST_TEMPLATE_ T29 = NoneT, GTEST_TEMPLATE_ T30 = NoneT,
+    GTEST_TEMPLATE_ T31 = NoneT, GTEST_TEMPLATE_ T32 = NoneT,
+    GTEST_TEMPLATE_ T33 = NoneT, GTEST_TEMPLATE_ T34 = NoneT,
+    GTEST_TEMPLATE_ T35 = NoneT, GTEST_TEMPLATE_ T36 = NoneT,
+    GTEST_TEMPLATE_ T37 = NoneT, GTEST_TEMPLATE_ T38 = NoneT,
+    GTEST_TEMPLATE_ T39 = NoneT, GTEST_TEMPLATE_ T40 = NoneT,
+    GTEST_TEMPLATE_ T41 = NoneT, GTEST_TEMPLATE_ T42 = NoneT,
+    GTEST_TEMPLATE_ T43 = NoneT, GTEST_TEMPLATE_ T44 = NoneT,
+    GTEST_TEMPLATE_ T45 = NoneT, GTEST_TEMPLATE_ T46 = NoneT,
+    GTEST_TEMPLATE_ T47 = NoneT, GTEST_TEMPLATE_ T48 = NoneT,
+    GTEST_TEMPLATE_ T49 = NoneT, GTEST_TEMPLATE_ T50 = NoneT>
+struct Templates {
+  typedef Templates50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45, T46, T47, T48, T49, T50> type;
+};
+
+template <>
+struct Templates<NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT> {
+  typedef Templates0 type;
+};
+template <GTEST_TEMPLATE_ T1>
+struct Templates<T1, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT> {
+  typedef Templates1<T1> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2>
+struct Templates<T1, T2, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT> {
+  typedef Templates2<T1, T2> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3>
+struct Templates<T1, T2, T3, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates3<T1, T2, T3> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4>
+struct Templates<T1, T2, T3, T4, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates4<T1, T2, T3, T4> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5>
+struct Templates<T1, T2, T3, T4, T5, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates5<T1, T2, T3, T4, T5> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6>
+struct Templates<T1, T2, T3, T4, T5, T6, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates6<T1, T2, T3, T4, T5, T6> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates7<T1, T2, T3, T4, T5, T6, T7> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates8<T1, T2, T3, T4, T5, T6, T7, T8> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates9<T1, T2, T3, T4, T5, T6, T7, T8, T9> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT> {
+  typedef Templates22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT> {
+  typedef Templates23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT> {
+  typedef Templates24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT> {
+  typedef Templates25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT> {
+  typedef Templates26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT> {
+  typedef Templates27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT> {
+  typedef Templates28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT> {
+  typedef Templates29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, NoneT, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, NoneT, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, NoneT, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, NoneT, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, NoneT,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    T45, NoneT, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    T45, T46, NoneT, NoneT, NoneT, NoneT> {
+  typedef Templates46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45, T46> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    T45, T46, T47, NoneT, NoneT, NoneT> {
+  typedef Templates47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45, T46, T47> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    T45, T46, T47, T48, NoneT, NoneT> {
+  typedef Templates48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45, T46, T47, T48> type;
+};
+template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
+    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
+    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
+    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
+    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
+    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
+    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
+    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
+    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
+    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
+    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
+    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
+    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
+    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
+    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
+    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
+    GTEST_TEMPLATE_ T49>
+struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
+    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
+    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
+    T45, T46, T47, T48, T49, NoneT> {
+  typedef Templates49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+      T42, T43, T44, T45, T46, T47, T48, T49> type;
+};
+
+// The TypeList template makes it possible to use either a single type
+// or a Types<...> list in TYPED_TEST_CASE() and
+// INSTANTIATE_TYPED_TEST_CASE_P().
+
+template <typename T>
+struct TypeList {
+  typedef Types1<T> type;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49, typename T50>
+struct TypeList<Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46, T47, T48, T49, T50> > {
+  typedef typename Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+      T41, T42, T43, T44, T45, T46, T47, T48, T49, T50>::type type;
+};
+
+#endif  // GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
+
+// Due to C++ preprocessor weirdness, we need double indirection to
+// concatenate two tokens when one of them is __LINE__.  Writing
+//
+//   foo ## __LINE__
+//
+// will result in the token foo__LINE__, instead of foo followed by
+// the current line number.  For more details, see
+// http://www.parashift.com/c++-faq-lite/misc-technical-issues.html#faq-39.6
+#define GTEST_CONCAT_TOKEN_(foo, bar) GTEST_CONCAT_TOKEN_IMPL_(foo, bar)
+#define GTEST_CONCAT_TOKEN_IMPL_(foo, bar) foo ## bar
+
+class ProtocolMessage;
+namespace proto2 { class Message; }
+
+namespace testing {
+
+// Forward declarations.
+
+class AssertionResult;                 // Result of an assertion.
+class Message;                         // Represents a failure message.
+class Test;                            // Represents a test.
+class TestInfo;                        // Information about a test.
+class TestPartResult;                  // Result of a test part.
+class UnitTest;                        // A collection of test cases.
+
+template <typename T>
+::std::string PrintToString(const T& value);
+
+namespace internal {
+
+struct TraceInfo;                      // Information about a trace point.
+class ScopedTrace;                     // Implements scoped trace.
+class TestInfoImpl;                    // Opaque implementation of TestInfo
+class UnitTestImpl;                    // Opaque implementation of UnitTest
+
+// How many times InitGoogleTest() has been called.
+GTEST_API_ extern int g_init_gtest_count;
+
+// The text used in failure messages to indicate the start of the
+// stack trace.
+GTEST_API_ extern const char kStackTraceMarker[];
+
+// Two overloaded helpers for checking at compile time whether an
+// expression is a null pointer literal (i.e. NULL or any 0-valued
+// compile-time integral constant).  Their return values have
+// different sizes, so we can use sizeof() to test which version is
+// picked by the compiler.  These helpers have no implementations, as
+// we only need their signatures.
+//
+// Given IsNullLiteralHelper(x), the compiler will pick the first
+// version if x can be implicitly converted to Secret*, and pick the
+// second version otherwise.  Since Secret is a secret and incomplete
+// type, the only expression a user can write that has type Secret* is
+// a null pointer literal.  Therefore, we know that x is a null
+// pointer literal if and only if the first version is picked by the
+// compiler.
+char IsNullLiteralHelper(Secret* p);
+char (&IsNullLiteralHelper(...))[2];  // NOLINT
+
+// A compile-time bool constant that is true if and only if x is a
+// null pointer literal (i.e. NULL or any 0-valued compile-time
+// integral constant).
+#ifdef GTEST_ELLIPSIS_NEEDS_POD_
+// We lose support for NULL detection where the compiler doesn't like
+// passing non-POD classes through ellipsis (...).
+# define GTEST_IS_NULL_LITERAL_(x) false
+#else
+# define GTEST_IS_NULL_LITERAL_(x) \
+    (sizeof(::testing::internal::IsNullLiteralHelper(x)) == 1)
+#endif  // GTEST_ELLIPSIS_NEEDS_POD_
+
+// Appends the user-supplied message to the Google-Test-generated message.
+GTEST_API_ std::string AppendUserMessage(
+    const std::string& gtest_msg, const Message& user_msg);
+
+#if GTEST_HAS_EXCEPTIONS
+
+// This exception is thrown by (and only by) a failed Google Test
+// assertion when GTEST_FLAG(throw_on_failure) is true (if exceptions
+// are enabled).  We derive it from std::runtime_error, which is for
+// errors presumably detectable only at run time.  Since
+// std::runtime_error inherits from std::exception, many testing
+// frameworks know how to extract and print the message inside it.
+class GTEST_API_ GoogleTestFailureException : public ::std::runtime_error {
+ public:
+  explicit GoogleTestFailureException(const TestPartResult& failure);
+};
+
+#endif  // GTEST_HAS_EXCEPTIONS
+
+// A helper class for creating scoped traces in user programs.
+class GTEST_API_ ScopedTrace {
+ public:
+  // The c'tor pushes the given source file location and message onto
+  // a trace stack maintained by Google Test.
+  ScopedTrace(const char* file, int line, const Message& message);
+
+  // The d'tor pops the info pushed by the c'tor.
+  //
+  // Note that the d'tor is not virtual in order to be efficient.
+  // Don't inherit from ScopedTrace!
+  ~ScopedTrace();
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedTrace);
+} GTEST_ATTRIBUTE_UNUSED_;  // A ScopedTrace object does its job in its
+                            // c'tor and d'tor.  Therefore it doesn't
+                            // need to be used otherwise.
+
+// Constructs and returns the message for an equality assertion
+// (e.g. ASSERT_EQ, EXPECT_STREQ, etc) failure.
+//
+// The first four parameters are the expressions used in the assertion
+// and their values, as strings.  For example, for ASSERT_EQ(foo, bar)
+// where foo is 5 and bar is 6, we have:
+//
+//   expected_expression: "foo"
+//   actual_expression:   "bar"
+//   expected_value:      "5"
+//   actual_value:        "6"
+//
+// The ignoring_case parameter is true iff the assertion is a
+// *_STRCASEEQ*.  When it's true, the string " (ignoring case)" will
+// be inserted into the message.
+GTEST_API_ AssertionResult EqFailure(const char* expected_expression,
+                                     const char* actual_expression,
+                                     const std::string& expected_value,
+                                     const std::string& actual_value,
+                                     bool ignoring_case);
+
+// Constructs a failure message for Boolean assertions such as EXPECT_TRUE.
+GTEST_API_ std::string GetBoolAssertionFailureMessage(
+    const AssertionResult& assertion_result,
+    const char* expression_text,
+    const char* actual_predicate_value,
+    const char* expected_predicate_value);
+
+// This template class represents an IEEE floating-point number
+// (either single-precision or double-precision, depending on the
+// template parameters).
+//
+// The purpose of this class is to do more sophisticated number
+// comparison.  (Due to round-off error, etc, it's very unlikely that
+// two floating-points will be equal exactly.  Hence a naive
+// comparison by the == operation often doesn't work.)
+//
+// Format of IEEE floating-point:
+//
+//   The most-significant bit being the leftmost, an IEEE
+//   floating-point looks like
+//
+//     sign_bit exponent_bits fraction_bits
+//
+//   Here, sign_bit is a single bit that designates the sign of the
+//   number.
+//
+//   For float, there are 8 exponent bits and 23 fraction bits.
+//
+//   For double, there are 11 exponent bits and 52 fraction bits.
+//
+//   More details can be found at
+//   http://en.wikipedia.org/wiki/IEEE_floating-point_standard.
+//
+// Template parameter:
+//
+//   RawType: the raw floating-point type (either float or double)
+template <typename RawType>
+class FloatingPoint {
+ public:
+  // Defines the unsigned integer type that has the same size as the
+  // floating point number.
+  typedef typename TypeWithSize<sizeof(RawType)>::UInt Bits;
+
+  // Constants.
+
+  // # of bits in a number.
+  static const size_t kBitCount = 8*sizeof(RawType);
+
+  // # of fraction bits in a number.
+  static const size_t kFractionBitCount =
+    std::numeric_limits<RawType>::digits - 1;
+
+  // # of exponent bits in a number.
+  static const size_t kExponentBitCount = kBitCount - 1 - kFractionBitCount;
+
+  // The mask for the sign bit.
+  static const Bits kSignBitMask = static_cast<Bits>(1) << (kBitCount - 1);
+
+  // The mask for the fraction bits.
+  static const Bits kFractionBitMask =
+    ~static_cast<Bits>(0) >> (kExponentBitCount + 1);
+
+  // The mask for the exponent bits.
+  static const Bits kExponentBitMask = ~(kSignBitMask | kFractionBitMask);
+
+  // How many ULP's (Units in the Last Place) we want to tolerate when
+  // comparing two numbers.  The larger the value, the more error we
+  // allow.  A 0 value means that two numbers must be exactly the same
+  // to be considered equal.
+  //
+  // The maximum error of a single floating-point operation is 0.5
+  // units in the last place.  On Intel CPU's, all floating-point
+  // calculations are done with 80-bit precision, while double has 64
+  // bits.  Therefore, 4 should be enough for ordinary use.
+  //
+  // See the following article for more details on ULP:
+  // http://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
+  static const size_t kMaxUlps = 4;
+
+  // Constructs a FloatingPoint from a raw floating-point number.
+  //
+  // On an Intel CPU, passing a non-normalized NAN (Not a Number)
+  // around may change its bits, although the new value is guaranteed
+  // to be also a NAN.  Therefore, don't expect this constructor to
+  // preserve the bits in x when x is a NAN.
+  explicit FloatingPoint(const RawType& x) { u_.value_ = x; }
+
+  // Static methods
+
+  // Reinterprets a bit pattern as a floating-point number.
+  //
+  // This function is needed to test the AlmostEquals() method.
+  static RawType ReinterpretBits(const Bits bits) {
+    FloatingPoint fp(0);
+    fp.u_.bits_ = bits;
+    return fp.u_.value_;
+  }
+
+  // Returns the floating-point number that represent positive infinity.
+  static RawType Infinity() {
+    return ReinterpretBits(kExponentBitMask);
+  }
+
+  // Returns the maximum representable finite floating-point number.
+  static RawType Max();
+
+  // Non-static methods
+
+  // Returns the bits that represents this number.
+  const Bits &bits() const { return u_.bits_; }
+
+  // Returns the exponent bits of this number.
+  Bits exponent_bits() const { return kExponentBitMask & u_.bits_; }
+
+  // Returns the fraction bits of this number.
+  Bits fraction_bits() const { return kFractionBitMask & u_.bits_; }
+
+  // Returns the sign bit of this number.
+  Bits sign_bit() const { return kSignBitMask & u_.bits_; }
+
+  // Returns true iff this is NAN (not a number).
+  bool is_nan() const {
+    // It's a NAN if the exponent bits are all ones and the fraction
+    // bits are not entirely zeros.
+    return (exponent_bits() == kExponentBitMask) && (fraction_bits() != 0);
+  }
+
+  // Returns true iff this number is at most kMaxUlps ULP's away from
+  // rhs.  In particular, this function:
+  //
+  //   - returns false if either number is (or both are) NAN.
+  //   - treats really large numbers as almost equal to infinity.
+  //   - thinks +0.0 and -0.0 are 0 DLP's apart.
+  bool AlmostEquals(const FloatingPoint& rhs) const {
+    // The IEEE standard says that any comparison operation involving
+    // a NAN must return false.
+    if (is_nan() || rhs.is_nan()) return false;
+
+    return DistanceBetweenSignAndMagnitudeNumbers(u_.bits_, rhs.u_.bits_)
+        <= kMaxUlps;
+  }
+
+ private:
+  // The data type used to store the actual floating-point number.
+  union FloatingPointUnion {
+    RawType value_;  // The raw floating-point number.
+    Bits bits_;      // The bits that represent the number.
+  };
+
+  // Converts an integer from the sign-and-magnitude representation to
+  // the biased representation.  More precisely, let N be 2 to the
+  // power of (kBitCount - 1), an integer x is represented by the
+  // unsigned number x + N.
+  //
+  // For instance,
+  //
+  //   -N + 1 (the most negative number representable using
+  //          sign-and-magnitude) is represented by 1;
+  //   0      is represented by N; and
+  //   N - 1  (the biggest number representable using
+  //          sign-and-magnitude) is represented by 2N - 1.
+  //
+  // Read http://en.wikipedia.org/wiki/Signed_number_representations
+  // for more details on signed number representations.
+  static Bits SignAndMagnitudeToBiased(const Bits &sam) {
+    if (kSignBitMask & sam) {
+      // sam represents a negative number.
+      return ~sam + 1;
+    } else {
+      // sam represents a positive number.
+      return kSignBitMask | sam;
+    }
+  }
+
+  // Given two numbers in the sign-and-magnitude representation,
+  // returns the distance between them as an unsigned number.
+  static Bits DistanceBetweenSignAndMagnitudeNumbers(const Bits &sam1,
+                                                     const Bits &sam2) {
+    const Bits biased1 = SignAndMagnitudeToBiased(sam1);
+    const Bits biased2 = SignAndMagnitudeToBiased(sam2);
+    return (biased1 >= biased2) ? (biased1 - biased2) : (biased2 - biased1);
+  }
+
+  FloatingPointUnion u_;
+};
+
+// We cannot use std::numeric_limits<T>::max() as it clashes with the max()
+// macro defined by <windows.h>.
+template <>
+inline float FloatingPoint<float>::Max() { return FLT_MAX; }
+template <>
+inline double FloatingPoint<double>::Max() { return DBL_MAX; }
+
+// Typedefs the instances of the FloatingPoint template class that we
+// care to use.
+typedef FloatingPoint<float> Float;
+typedef FloatingPoint<double> Double;
+
+// In order to catch the mistake of putting tests that use different
+// test fixture classes in the same test case, we need to assign
+// unique IDs to fixture classes and compare them.  The TypeId type is
+// used to hold such IDs.  The user should treat TypeId as an opaque
+// type: the only operation allowed on TypeId values is to compare
+// them for equality using the == operator.
+typedef const void* TypeId;
+
+template <typename T>
+class TypeIdHelper {
+ public:
+  // dummy_ must not have a const type.  Otherwise an overly eager
+  // compiler (e.g. MSVC 7.1 & 8.0) may try to merge
+  // TypeIdHelper<T>::dummy_ for different Ts as an "optimization".
+  static bool dummy_;
+};
+
+template <typename T>
+bool TypeIdHelper<T>::dummy_ = false;
+
+// GetTypeId<T>() returns the ID of type T.  Different values will be
+// returned for different types.  Calling the function twice with the
+// same type argument is guaranteed to return the same ID.
+template <typename T>
+TypeId GetTypeId() {
+  // The compiler is required to allocate a different
+  // TypeIdHelper<T>::dummy_ variable for each T used to instantiate
+  // the template.  Therefore, the address of dummy_ is guaranteed to
+  // be unique.
+  return &(TypeIdHelper<T>::dummy_);
+}
+
+// Returns the type ID of ::testing::Test.  Always call this instead
+// of GetTypeId< ::testing::Test>() to get the type ID of
+// ::testing::Test, as the latter may give the wrong result due to a
+// suspected linker bug when compiling Google Test as a Mac OS X
+// framework.
+GTEST_API_ TypeId GetTestTypeId();
+
+// Defines the abstract factory interface that creates instances
+// of a Test object.
+class TestFactoryBase {
+ public:
+  virtual ~TestFactoryBase() {}
+
+  // Creates a test instance to run. The instance is both created and destroyed
+  // within TestInfoImpl::Run()
+  virtual Test* CreateTest() = 0;
+
+ protected:
+  TestFactoryBase() {}
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestFactoryBase);
+};
+
+// This class provides implementation of TeastFactoryBase interface.
+// It is used in TEST and TEST_F macros.
+template <class TestClass>
+class TestFactoryImpl : public TestFactoryBase {
+ public:
+  virtual Test* CreateTest() { return new TestClass; }
+};
+
+#if GTEST_OS_WINDOWS
+
+// Predicate-formatters for implementing the HRESULT checking macros
+// {ASSERT|EXPECT}_HRESULT_{SUCCEEDED|FAILED}
+// We pass a long instead of HRESULT to avoid causing an
+// include dependency for the HRESULT type.
+GTEST_API_ AssertionResult IsHRESULTSuccess(const char* expr,
+                                            long hr);  // NOLINT
+GTEST_API_ AssertionResult IsHRESULTFailure(const char* expr,
+                                            long hr);  // NOLINT
+
+#endif  // GTEST_OS_WINDOWS
+
+// Types of SetUpTestCase() and TearDownTestCase() functions.
+typedef void (*SetUpTestCaseFunc)();
+typedef void (*TearDownTestCaseFunc)();
+
+// Creates a new TestInfo object and registers it with Google Test;
+// returns the created object.
+//
+// Arguments:
+//
+//   test_case_name:   name of the test case
+//   name:             name of the test
+//   type_param        the name of the test's type parameter, or NULL if
+//                     this is not a typed or a type-parameterized test.
+//   value_param       text representation of the test's value parameter,
+//                     or NULL if this is not a type-parameterized test.
+//   fixture_class_id: ID of the test fixture class
+//   set_up_tc:        pointer to the function that sets up the test case
+//   tear_down_tc:     pointer to the function that tears down the test case
+//   factory:          pointer to the factory that creates a test object.
+//                     The newly created TestInfo instance will assume
+//                     ownership of the factory object.
+GTEST_API_ TestInfo* MakeAndRegisterTestInfo(
+    const char* test_case_name,
+    const char* name,
+    const char* type_param,
+    const char* value_param,
+    TypeId fixture_class_id,
+    SetUpTestCaseFunc set_up_tc,
+    TearDownTestCaseFunc tear_down_tc,
+    TestFactoryBase* factory);
+
+// If *pstr starts with the given prefix, modifies *pstr to be right
+// past the prefix and returns true; otherwise leaves *pstr unchanged
+// and returns false.  None of pstr, *pstr, and prefix can be NULL.
+GTEST_API_ bool SkipPrefix(const char* prefix, const char** pstr);
+
+#if GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
+
+// State of the definition of a type-parameterized test case.
+class GTEST_API_ TypedTestCasePState {
+ public:
+  TypedTestCasePState() : registered_(false) {}
+
+  // Adds the given test name to defined_test_names_ and return true
+  // if the test case hasn't been registered; otherwise aborts the
+  // program.
+  bool AddTestName(const char* file, int line, const char* case_name,
+                   const char* test_name) {
+    if (registered_) {
+      fprintf(stderr, "%s Test %s must be defined before "
+              "REGISTER_TYPED_TEST_CASE_P(%s, ...).\n",
+              FormatFileLocation(file, line).c_str(), test_name, case_name);
+      fflush(stderr);
+      posix::Abort();
+    }
+    defined_test_names_.insert(test_name);
+    return true;
+  }
+
+  // Verifies that registered_tests match the test names in
+  // defined_test_names_; returns registered_tests if successful, or
+  // aborts the program otherwise.
+  const char* VerifyRegisteredTestNames(
+      const char* file, int line, const char* registered_tests);
+
+ private:
+  bool registered_;
+  ::std::set<const char*> defined_test_names_;
+};
+
+// Skips to the first non-space char after the first comma in 'str';
+// returns NULL if no comma is found in 'str'.
+inline const char* SkipComma(const char* str) {
+  const char* comma = strchr(str, ',');
+  if (comma == NULL) {
+    return NULL;
+  }
+  while (IsSpace(*(++comma))) {}
+  return comma;
+}
+
+// Returns the prefix of 'str' before the first comma in it; returns
+// the entire string if it contains no comma.
+inline std::string GetPrefixUntilComma(const char* str) {
+  const char* comma = strchr(str, ',');
+  return comma == NULL ? str : std::string(str, comma);
+}
+
+// TypeParameterizedTest<Fixture, TestSel, Types>::Register()
+// registers a list of type-parameterized tests with Google Test.  The
+// return value is insignificant - we just need to return something
+// such that we can call this function in a namespace scope.
+//
+// Implementation note: The GTEST_TEMPLATE_ macro declares a template
+// template parameter.  It's defined in gtest-type-util.h.
+template <GTEST_TEMPLATE_ Fixture, class TestSel, typename Types>
+class TypeParameterizedTest {
+ public:
+  // 'index' is the index of the test in the type list 'Types'
+  // specified in INSTANTIATE_TYPED_TEST_CASE_P(Prefix, TestCase,
+  // Types).  Valid values for 'index' are [0, N - 1] where N is the
+  // length of Types.
+  static bool Register(const char* prefix, const char* case_name,
+                       const char* test_names, int index) {
+    typedef typename Types::Head Type;
+    typedef Fixture<Type> FixtureClass;
+    typedef typename GTEST_BIND_(TestSel, Type) TestClass;
+
+    // First, registers the first type-parameterized test in the type
+    // list.
+    MakeAndRegisterTestInfo(
+        (std::string(prefix) + (prefix[0] == '\0' ? "" : "/") + case_name + "/"
+         + StreamableToString(index)).c_str(),
+        GetPrefixUntilComma(test_names).c_str(),
+        GetTypeName<Type>().c_str(),
+        NULL,  // No value parameter.
+        GetTypeId<FixtureClass>(),
+        TestClass::SetUpTestCase,
+        TestClass::TearDownTestCase,
+        new TestFactoryImpl<TestClass>);
+
+    // Next, recurses (at compile time) with the tail of the type list.
+    return TypeParameterizedTest<Fixture, TestSel, typename Types::Tail>
+        ::Register(prefix, case_name, test_names, index + 1);
+  }
+};
+
+// The base case for the compile time recursion.
+template <GTEST_TEMPLATE_ Fixture, class TestSel>
+class TypeParameterizedTest<Fixture, TestSel, Types0> {
+ public:
+  static bool Register(const char* /*prefix*/, const char* /*case_name*/,
+                       const char* /*test_names*/, int /*index*/) {
+    return true;
+  }
+};
+
+// TypeParameterizedTestCase<Fixture, Tests, Types>::Register()
+// registers *all combinations* of 'Tests' and 'Types' with Google
+// Test.  The return value is insignificant - we just need to return
+// something such that we can call this function in a namespace scope.
+template <GTEST_TEMPLATE_ Fixture, typename Tests, typename Types>
+class TypeParameterizedTestCase {
+ public:
+  static bool Register(const char* prefix, const char* case_name,
+                       const char* test_names) {
+    typedef typename Tests::Head Head;
+
+    // First, register the first test in 'Test' for each type in 'Types'.
+    TypeParameterizedTest<Fixture, Head, Types>::Register(
+        prefix, case_name, test_names, 0);
+
+    // Next, recurses (at compile time) with the tail of the test list.
+    return TypeParameterizedTestCase<Fixture, typename Tests::Tail, Types>
+        ::Register(prefix, case_name, SkipComma(test_names));
+  }
+};
+
+// The base case for the compile time recursion.
+template <GTEST_TEMPLATE_ Fixture, typename Types>
+class TypeParameterizedTestCase<Fixture, Templates0, Types> {
+ public:
+  static bool Register(const char* /*prefix*/, const char* /*case_name*/,
+                       const char* /*test_names*/) {
+    return true;
+  }
+};
+
+#endif  // GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
+
+// Returns the current OS stack trace as an std::string.
+//
+// The maximum number of stack frames to be included is specified by
+// the gtest_stack_trace_depth flag.  The skip_count parameter
+// specifies the number of top frames to be skipped, which doesn't
+// count against the number of frames to be included.
+//
+// For example, if Foo() calls Bar(), which in turn calls
+// GetCurrentOsStackTraceExceptTop(..., 1), Foo() will be included in
+// the trace but Bar() and GetCurrentOsStackTraceExceptTop() won't.
+GTEST_API_ std::string GetCurrentOsStackTraceExceptTop(
+    UnitTest* unit_test, int skip_count);
+
+// Helpers for suppressing warnings on unreachable code or constant
+// condition.
+
+// Always returns true.
+GTEST_API_ bool AlwaysTrue();
+
+// Always returns false.
+inline bool AlwaysFalse() { return !AlwaysTrue(); }
+
+// Helper for suppressing false warning from Clang on a const char*
+// variable declared in a conditional expression always being NULL in
+// the else branch.
+struct GTEST_API_ ConstCharPtr {
+  ConstCharPtr(const char* str) : value(str) {}
+  operator bool() const { return true; }
+  const char* value;
+};
+
+// A simple Linear Congruential Generator for generating random
+// numbers with a uniform distribution.  Unlike rand() and srand(), it
+// doesn't use global state (and therefore can't interfere with user
+// code).  Unlike rand_r(), it's portable.  An LCG isn't very random,
+// but it's good enough for our purposes.
+class GTEST_API_ Random {
+ public:
+  static const UInt32 kMaxRange = 1u << 31;
+
+  explicit Random(UInt32 seed) : state_(seed) {}
+
+  void Reseed(UInt32 seed) { state_ = seed; }
+
+  // Generates a random number from [0, range).  Crashes if 'range' is
+  // 0 or greater than kMaxRange.
+  UInt32 Generate(UInt32 range);
+
+ private:
+  UInt32 state_;
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(Random);
+};
+
+// Defining a variable of type CompileAssertTypesEqual<T1, T2> will cause a
+// compiler error iff T1 and T2 are different types.
+template <typename T1, typename T2>
+struct CompileAssertTypesEqual;
+
+template <typename T>
+struct CompileAssertTypesEqual<T, T> {
+};
+
+// Removes the reference from a type if it is a reference type,
+// otherwise leaves it unchanged.  This is the same as
+// tr1::remove_reference, which is not widely available yet.
+template <typename T>
+struct RemoveReference { typedef T type; };  // NOLINT
+template <typename T>
+struct RemoveReference<T&> { typedef T type; };  // NOLINT
+
+// A handy wrapper around RemoveReference that works when the argument
+// T depends on template parameters.
+#define GTEST_REMOVE_REFERENCE_(T) \
+    typename ::testing::internal::RemoveReference<T>::type
+
+// Removes const from a type if it is a const type, otherwise leaves
+// it unchanged.  This is the same as tr1::remove_const, which is not
+// widely available yet.
+template <typename T>
+struct RemoveConst { typedef T type; };  // NOLINT
+template <typename T>
+struct RemoveConst<const T> { typedef T type; };  // NOLINT
+
+// MSVC 8.0, Sun C++, and IBM XL C++ have a bug which causes the above
+// definition to fail to remove the const in 'const int[3]' and 'const
+// char[3][4]'.  The following specialization works around the bug.
+template <typename T, size_t N>
+struct RemoveConst<const T[N]> {
+  typedef typename RemoveConst<T>::type type[N];
+};
+
+#if defined(_MSC_VER) && _MSC_VER < 1400
+// This is the only specialization that allows VC++ 7.1 to remove const in
+// 'const int[3] and 'const int[3][4]'.  However, it causes trouble with GCC
+// and thus needs to be conditionally compiled.
+template <typename T, size_t N>
+struct RemoveConst<T[N]> {
+  typedef typename RemoveConst<T>::type type[N];
+};
+#endif
+
+// A handy wrapper around RemoveConst that works when the argument
+// T depends on template parameters.
+#define GTEST_REMOVE_CONST_(T) \
+    typename ::testing::internal::RemoveConst<T>::type
+
+// Turns const U&, U&, const U, and U all into U.
+#define GTEST_REMOVE_REFERENCE_AND_CONST_(T) \
+    GTEST_REMOVE_CONST_(GTEST_REMOVE_REFERENCE_(T))
+
+// Adds reference to a type if it is not a reference type,
+// otherwise leaves it unchanged.  This is the same as
+// tr1::add_reference, which is not widely available yet.
+template <typename T>
+struct AddReference { typedef T& type; };  // NOLINT
+template <typename T>
+struct AddReference<T&> { typedef T& type; };  // NOLINT
+
+// A handy wrapper around AddReference that works when the argument T
+// depends on template parameters.
+#define GTEST_ADD_REFERENCE_(T) \
+    typename ::testing::internal::AddReference<T>::type
+
+// Adds a reference to const on top of T as necessary.  For example,
+// it transforms
+//
+//   char         ==> const char&
+//   const char   ==> const char&
+//   char&        ==> const char&
+//   const char&  ==> const char&
+//
+// The argument T must depend on some template parameters.
+#define GTEST_REFERENCE_TO_CONST_(T) \
+    GTEST_ADD_REFERENCE_(const GTEST_REMOVE_REFERENCE_(T))
+
+// ImplicitlyConvertible<From, To>::value is a compile-time bool
+// constant that's true iff type From can be implicitly converted to
+// type To.
+template <typename From, typename To>
+class ImplicitlyConvertible {
+ private:
+  // We need the following helper functions only for their types.
+  // They have no implementations.
+
+  // MakeFrom() is an expression whose type is From.  We cannot simply
+  // use From(), as the type From may not have a public default
+  // constructor.
+  static From MakeFrom();
+
+  // These two functions are overloaded.  Given an expression
+  // Helper(x), the compiler will pick the first version if x can be
+  // implicitly converted to type To; otherwise it will pick the
+  // second version.
+  //
+  // The first version returns a value of size 1, and the second
+  // version returns a value of size 2.  Therefore, by checking the
+  // size of Helper(x), which can be done at compile time, we can tell
+  // which version of Helper() is used, and hence whether x can be
+  // implicitly converted to type To.
+  static char Helper(To);
+  static char (&Helper(...))[2];  // NOLINT
+
+  // We have to put the 'public' section after the 'private' section,
+  // or MSVC refuses to compile the code.
+ public:
+  // MSVC warns about implicitly converting from double to int for
+  // possible loss of data, so we need to temporarily disable the
+  // warning.
+#ifdef _MSC_VER
+# pragma warning(push)          // Saves the current warning state.
+# pragma warning(disable:4244)  // Temporarily disables warning 4244.
+
+  static const bool value =
+      sizeof(Helper(ImplicitlyConvertible::MakeFrom())) == 1;
+# pragma warning(pop)           // Restores the warning state.
+#elif defined(__BORLANDC__)
+  // C++Builder cannot use member overload resolution during template
+  // instantiation.  The simplest workaround is to use its C++0x type traits
+  // functions (C++Builder 2009 and above only).
+  static const bool value = __is_convertible(From, To);
+#else
+  static const bool value =
+      sizeof(Helper(ImplicitlyConvertible::MakeFrom())) == 1;
+#endif  // _MSV_VER
+};
+template <typename From, typename To>
+const bool ImplicitlyConvertible<From, To>::value;
+
+// IsAProtocolMessage<T>::value is a compile-time bool constant that's
+// true iff T is type ProtocolMessage, proto2::Message, or a subclass
+// of those.
+template <typename T>
+struct IsAProtocolMessage
+    : public bool_constant<
+  ImplicitlyConvertible<const T*, const ::ProtocolMessage*>::value ||
+  ImplicitlyConvertible<const T*, const ::proto2::Message*>::value> {
+};
+
+// When the compiler sees expression IsContainerTest<C>(0), if C is an
+// STL-style container class, the first overload of IsContainerTest
+// will be viable (since both C::iterator* and C::const_iterator* are
+// valid types and NULL can be implicitly converted to them).  It will
+// be picked over the second overload as 'int' is a perfect match for
+// the type of argument 0.  If C::iterator or C::const_iterator is not
+// a valid type, the first overload is not viable, and the second
+// overload will be picked.  Therefore, we can determine whether C is
+// a container class by checking the type of IsContainerTest<C>(0).
+// The value of the expression is insignificant.
+//
+// Note that we look for both C::iterator and C::const_iterator.  The
+// reason is that C++ injects the name of a class as a member of the
+// class itself (e.g. you can refer to class iterator as either
+// 'iterator' or 'iterator::iterator').  If we look for C::iterator
+// only, for example, we would mistakenly think that a class named
+// iterator is an STL container.
+//
+// Also note that the simpler approach of overloading
+// IsContainerTest(typename C::const_iterator*) and
+// IsContainerTest(...) doesn't work with Visual Age C++ and Sun C++.
+typedef int IsContainer;
+template <class C>
+IsContainer IsContainerTest(int /* dummy */,
+                            typename C::iterator* /* it */ = NULL,
+                            typename C::const_iterator* /* const_it */ = NULL) {
+  return 0;
+}
+
+typedef char IsNotContainer;
+template <class C>
+IsNotContainer IsContainerTest(long /* dummy */) { return '\0'; }
+
+// EnableIf<condition>::type is void when 'Cond' is true, and
+// undefined when 'Cond' is false.  To use SFINAE to make a function
+// overload only apply when a particular expression is true, add
+// "typename EnableIf<expression>::type* = 0" as the last parameter.
+template<bool> struct EnableIf;
+template<> struct EnableIf<true> { typedef void type; };  // NOLINT
+
+// Utilities for native arrays.
+
+// ArrayEq() compares two k-dimensional native arrays using the
+// elements' operator==, where k can be any integer >= 0.  When k is
+// 0, ArrayEq() degenerates into comparing a single pair of values.
+
+template <typename T, typename U>
+bool ArrayEq(const T* lhs, size_t size, const U* rhs);
+
+// This generic version is used when k is 0.
+template <typename T, typename U>
+inline bool ArrayEq(const T& lhs, const U& rhs) { return lhs == rhs; }
+
+// This overload is used when k >= 1.
+template <typename T, typename U, size_t N>
+inline bool ArrayEq(const T(&lhs)[N], const U(&rhs)[N]) {
+  return internal::ArrayEq(lhs, N, rhs);
+}
+
+// This helper reduces code bloat.  If we instead put its logic inside
+// the previous ArrayEq() function, arrays with different sizes would
+// lead to different copies of the template code.
+template <typename T, typename U>
+bool ArrayEq(const T* lhs, size_t size, const U* rhs) {
+  for (size_t i = 0; i != size; i++) {
+    if (!internal::ArrayEq(lhs[i], rhs[i]))
+      return false;
+  }
+  return true;
+}
+
+// Finds the first element in the iterator range [begin, end) that
+// equals elem.  Element may be a native array type itself.
+template <typename Iter, typename Element>
+Iter ArrayAwareFind(Iter begin, Iter end, const Element& elem) {
+  for (Iter it = begin; it != end; ++it) {
+    if (internal::ArrayEq(*it, elem))
+      return it;
+  }
+  return end;
+}
+
+// CopyArray() copies a k-dimensional native array using the elements'
+// operator=, where k can be any integer >= 0.  When k is 0,
+// CopyArray() degenerates into copying a single value.
+
+template <typename T, typename U>
+void CopyArray(const T* from, size_t size, U* to);
+
+// This generic version is used when k is 0.
+template <typename T, typename U>
+inline void CopyArray(const T& from, U* to) { *to = from; }
+
+// This overload is used when k >= 1.
+template <typename T, typename U, size_t N>
+inline void CopyArray(const T(&from)[N], U(*to)[N]) {
+  internal::CopyArray(from, N, *to);
+}
+
+// This helper reduces code bloat.  If we instead put its logic inside
+// the previous CopyArray() function, arrays with different sizes
+// would lead to different copies of the template code.
+template <typename T, typename U>
+void CopyArray(const T* from, size_t size, U* to) {
+  for (size_t i = 0; i != size; i++) {
+    internal::CopyArray(from[i], to + i);
+  }
+}
+
+// The relation between an NativeArray object (see below) and the
+// native array it represents.
+enum RelationToSource {
+  kReference,  // The NativeArray references the native array.
+  kCopy        // The NativeArray makes a copy of the native array and
+               // owns the copy.
+};
+
+// Adapts a native array to a read-only STL-style container.  Instead
+// of the complete STL container concept, this adaptor only implements
+// members useful for Google Mock's container matchers.  New members
+// should be added as needed.  To simplify the implementation, we only
+// support Element being a raw type (i.e. having no top-level const or
+// reference modifier).  It's the client's responsibility to satisfy
+// this requirement.  Element can be an array type itself (hence
+// multi-dimensional arrays are supported).
+template <typename Element>
+class NativeArray {
+ public:
+  // STL-style container typedefs.
+  typedef Element value_type;
+  typedef Element* iterator;
+  typedef const Element* const_iterator;
+
+  // Constructs from a native array.
+  NativeArray(const Element* array, size_t count, RelationToSource relation) {
+    Init(array, count, relation);
+  }
+
+  // Copy constructor.
+  NativeArray(const NativeArray& rhs) {
+    Init(rhs.array_, rhs.size_, rhs.relation_to_source_);
+  }
+
+  ~NativeArray() {
+    // Ensures that the user doesn't instantiate NativeArray with a
+    // const or reference type.
+    static_cast<void>(StaticAssertTypeEqHelper<Element,
+        GTEST_REMOVE_REFERENCE_AND_CONST_(Element)>());
+    if (relation_to_source_ == kCopy)
+      delete[] array_;
+  }
+
+  // STL-style container methods.
+  size_t size() const { return size_; }
+  const_iterator begin() const { return array_; }
+  const_iterator end() const { return array_ + size_; }
+  bool operator==(const NativeArray& rhs) const {
+    return size() == rhs.size() &&
+        ArrayEq(begin(), size(), rhs.begin());
+  }
+
+ private:
+  // Initializes this object; makes a copy of the input array if
+  // 'relation' is kCopy.
+  void Init(const Element* array, size_t a_size, RelationToSource relation) {
+    if (relation == kReference) {
+      array_ = array;
+    } else {
+      Element* const copy = new Element[a_size];
+      CopyArray(array, a_size, copy);
+      array_ = copy;
+    }
+    size_ = a_size;
+    relation_to_source_ = relation;
+  }
+
+  const Element* array_;
+  size_t size_;
+  RelationToSource relation_to_source_;
+
+  GTEST_DISALLOW_ASSIGN_(NativeArray);
+};
+
+}  // namespace internal
+}  // namespace testing
+
+#define GTEST_MESSAGE_AT_(file, line, message, result_type) \
+  ::testing::internal::AssertHelper(result_type, file, line, message) \
+    = ::testing::Message()
+
+#define GTEST_MESSAGE_(message, result_type) \
+  GTEST_MESSAGE_AT_(__FILE__, __LINE__, message, result_type)
+
+#define GTEST_FATAL_FAILURE_(message) \
+  return GTEST_MESSAGE_(message, ::testing::TestPartResult::kFatalFailure)
+
+#define GTEST_NONFATAL_FAILURE_(message) \
+  GTEST_MESSAGE_(message, ::testing::TestPartResult::kNonFatalFailure)
+
+#define GTEST_SUCCESS_(message) \
+  GTEST_MESSAGE_(message, ::testing::TestPartResult::kSuccess)
+
+// Suppresses MSVC warnings 4072 (unreachable code) for the code following
+// statement if it returns or throws (or doesn't return or throw in some
+// situations).
+#define GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement) \
+  if (::testing::internal::AlwaysTrue()) { statement; }
+
+#define GTEST_TEST_THROW_(statement, expected_exception, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::ConstCharPtr gtest_msg = "") { \
+    bool gtest_caught_expected = false; \
+    try { \
+      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+    } \
+    catch (expected_exception const&) { \
+      gtest_caught_expected = true; \
+    } \
+    catch (...) { \
+      gtest_msg.value = \
+          "Expected: " #statement " throws an exception of type " \
+          #expected_exception ".\n  Actual: it throws a different type."; \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__); \
+    } \
+    if (!gtest_caught_expected) { \
+      gtest_msg.value = \
+          "Expected: " #statement " throws an exception of type " \
+          #expected_exception ".\n  Actual: it throws nothing."; \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__); \
+    } \
+  } else \
+    GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__): \
+      fail(gtest_msg.value)
+
+#define GTEST_TEST_NO_THROW_(statement, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::AlwaysTrue()) { \
+    try { \
+      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+    } \
+    catch (...) { \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_testnothrow_, __LINE__); \
+    } \
+  } else \
+    GTEST_CONCAT_TOKEN_(gtest_label_testnothrow_, __LINE__): \
+      fail("Expected: " #statement " doesn't throw an exception.\n" \
+           "  Actual: it throws.")
+
+#define GTEST_TEST_ANY_THROW_(statement, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::AlwaysTrue()) { \
+    bool gtest_caught_any = false; \
+    try { \
+      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+    } \
+    catch (...) { \
+      gtest_caught_any = true; \
+    } \
+    if (!gtest_caught_any) { \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_testanythrow_, __LINE__); \
+    } \
+  } else \
+    GTEST_CONCAT_TOKEN_(gtest_label_testanythrow_, __LINE__): \
+      fail("Expected: " #statement " throws an exception.\n" \
+           "  Actual: it doesn't.")
+
+
+// Implements Boolean test assertions such as EXPECT_TRUE. expression can be
+// either a boolean expression or an AssertionResult. text is a textual
+// represenation of expression as it was passed into the EXPECT_TRUE.
+#define GTEST_TEST_BOOLEAN_(expression, text, actual, expected, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (const ::testing::AssertionResult gtest_ar_ = \
+      ::testing::AssertionResult(expression)) \
+    ; \
+  else \
+    fail(::testing::internal::GetBoolAssertionFailureMessage(\
+        gtest_ar_, text, #actual, #expected).c_str())
+
+#define GTEST_TEST_NO_FATAL_FAILURE_(statement, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::AlwaysTrue()) { \
+    ::testing::internal::HasNewFatalFailureHelper gtest_fatal_failure_checker; \
+    GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+    if (gtest_fatal_failure_checker.has_new_fatal_failure()) { \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_testnofatal_, __LINE__); \
+    } \
+  } else \
+    GTEST_CONCAT_TOKEN_(gtest_label_testnofatal_, __LINE__): \
+      fail("Expected: " #statement " doesn't generate new fatal " \
+           "failures in the current thread.\n" \
+           "  Actual: it does.")
+
+// Expands to the name of the class that implements the given test.
+#define GTEST_TEST_CLASS_NAME_(test_case_name, test_name) \
+  test_case_name##_##test_name##_Test
+
+// Helper macro for defining tests.
+#define GTEST_TEST_(test_case_name, test_name, parent_class, parent_id)\
+class GTEST_TEST_CLASS_NAME_(test_case_name, test_name) : public parent_class {\
+ public:\
+  GTEST_TEST_CLASS_NAME_(test_case_name, test_name)() {}\
+ private:\
+  virtual void TestBody();\
+  static ::testing::TestInfo* const test_info_ GTEST_ATTRIBUTE_UNUSED_;\
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(\
+      GTEST_TEST_CLASS_NAME_(test_case_name, test_name));\
+};\
+\
+::testing::TestInfo* const GTEST_TEST_CLASS_NAME_(test_case_name, test_name)\
+  ::test_info_ =\
+    ::testing::internal::MakeAndRegisterTestInfo(\
+        #test_case_name, #test_name, NULL, NULL, \
+        (parent_id), \
+        parent_class::SetUpTestCase, \
+        parent_class::TearDownTestCase, \
+        new ::testing::internal::TestFactoryImpl<\
+            GTEST_TEST_CLASS_NAME_(test_case_name, test_name)>);\
+void GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::TestBody()
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file defines the public API for death tests.  It is
+// #included by gtest.h so a user doesn't need to include this
+// directly.
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
+#define GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
+
+// Copyright 2005, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
+//
+// The Google C++ Testing Framework (Google Test)
+//
+// This header file defines internal utilities needed for implementing
+// death tests.  They are subject to change without notice.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
+
+
+#include <stdio.h>
+
+namespace testing {
+namespace internal {
+
+GTEST_DECLARE_string_(internal_run_death_test);
+
+// Names of the flags (needed for parsing Google Test flags).
+const char kDeathTestStyleFlag[] = "death_test_style";
+const char kDeathTestUseFork[] = "death_test_use_fork";
+const char kInternalRunDeathTestFlag[] = "internal_run_death_test";
+
+#if GTEST_HAS_DEATH_TEST
+
+// DeathTest is a class that hides much of the complexity of the
+// GTEST_DEATH_TEST_ macro.  It is abstract; its static Create method
+// returns a concrete class that depends on the prevailing death test
+// style, as defined by the --gtest_death_test_style and/or
+// --gtest_internal_run_death_test flags.
+
+// In describing the results of death tests, these terms are used with
+// the corresponding definitions:
+//
+// exit status:  The integer exit information in the format specified
+//               by wait(2)
+// exit code:    The integer code passed to exit(3), _exit(2), or
+//               returned from main()
+class GTEST_API_ DeathTest {
+ public:
+  // Create returns false if there was an error determining the
+  // appropriate action to take for the current death test; for example,
+  // if the gtest_death_test_style flag is set to an invalid value.
+  // The LastMessage method will return a more detailed message in that
+  // case.  Otherwise, the DeathTest pointer pointed to by the "test"
+  // argument is set.  If the death test should be skipped, the pointer
+  // is set to NULL; otherwise, it is set to the address of a new concrete
+  // DeathTest object that controls the execution of the current test.
+  static bool Create(const char* statement, const RE* regex,
+                     const char* file, int line, DeathTest** test);
+  DeathTest();
+  virtual ~DeathTest() { }
+
+  // A helper class that aborts a death test when it's deleted.
+  class ReturnSentinel {
+   public:
+    explicit ReturnSentinel(DeathTest* test) : test_(test) { }
+    ~ReturnSentinel() { test_->Abort(TEST_ENCOUNTERED_RETURN_STATEMENT); }
+   private:
+    DeathTest* const test_;
+    GTEST_DISALLOW_COPY_AND_ASSIGN_(ReturnSentinel);
+  } GTEST_ATTRIBUTE_UNUSED_;
+
+  // An enumeration of possible roles that may be taken when a death
+  // test is encountered.  EXECUTE means that the death test logic should
+  // be executed immediately.  OVERSEE means that the program should prepare
+  // the appropriate environment for a child process to execute the death
+  // test, then wait for it to complete.
+  enum TestRole { OVERSEE_TEST, EXECUTE_TEST };
+
+  // An enumeration of the three reasons that a test might be aborted.
+  enum AbortReason {
+    TEST_ENCOUNTERED_RETURN_STATEMENT,
+    TEST_THREW_EXCEPTION,
+    TEST_DID_NOT_DIE
+  };
+
+  // Assumes one of the above roles.
+  virtual TestRole AssumeRole() = 0;
+
+  // Waits for the death test to finish and returns its status.
+  virtual int Wait() = 0;
+
+  // Returns true if the death test passed; that is, the test process
+  // exited during the test, its exit status matches a user-supplied
+  // predicate, and its stderr output matches a user-supplied regular
+  // expression.
+  // The user-supplied predicate may be a macro expression rather
+  // than a function pointer or functor, or else Wait and Passed could
+  // be combined.
+  virtual bool Passed(bool exit_status_ok) = 0;
+
+  // Signals that the death test did not die as expected.
+  virtual void Abort(AbortReason reason) = 0;
+
+  // Returns a human-readable outcome message regarding the outcome of
+  // the last death test.
+  static const char* LastMessage();
+
+  static void set_last_death_test_message(const std::string& message);
+
+ private:
+  // A string containing a description of the outcome of the last death test.
+  static std::string last_death_test_message_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(DeathTest);
+};
+
+// Factory interface for death tests.  May be mocked out for testing.
+class DeathTestFactory {
+ public:
+  virtual ~DeathTestFactory() { }
+  virtual bool Create(const char* statement, const RE* regex,
+                      const char* file, int line, DeathTest** test) = 0;
+};
+
+// A concrete DeathTestFactory implementation for normal use.
+class DefaultDeathTestFactory : public DeathTestFactory {
+ public:
+  virtual bool Create(const char* statement, const RE* regex,
+                      const char* file, int line, DeathTest** test);
+};
+
+// Returns true if exit_status describes a process that was terminated
+// by a signal, or exited normally with a nonzero exit code.
+GTEST_API_ bool ExitedUnsuccessfully(int exit_status);
+
+// Traps C++ exceptions escaping statement and reports them as test
+// failures. Note that trapping SEH exceptions is not implemented here.
+# if GTEST_HAS_EXCEPTIONS
+#  define GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, death_test) \
+  try { \
+    GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+  } catch (const ::std::exception& gtest_exception) { \
+    fprintf(\
+        stderr, \
+        "\n%s: Caught std::exception-derived exception escaping the " \
+        "death test statement. Exception message: %s\n", \
+        ::testing::internal::FormatFileLocation(__FILE__, __LINE__).c_str(), \
+        gtest_exception.what()); \
+    fflush(stderr); \
+    death_test->Abort(::testing::internal::DeathTest::TEST_THREW_EXCEPTION); \
+  } catch (...) { \
+    death_test->Abort(::testing::internal::DeathTest::TEST_THREW_EXCEPTION); \
+  }
+
+# else
+#  define GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, death_test) \
+  GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement)
+
+# endif
+
+// This macro is for implementing ASSERT_DEATH*, EXPECT_DEATH*,
+// ASSERT_EXIT*, and EXPECT_EXIT*.
+# define GTEST_DEATH_TEST_(statement, predicate, regex, fail) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::AlwaysTrue()) { \
+    const ::testing::internal::RE& gtest_regex = (regex); \
+    ::testing::internal::DeathTest* gtest_dt; \
+    if (!::testing::internal::DeathTest::Create(#statement, &gtest_regex, \
+        __FILE__, __LINE__, &gtest_dt)) { \
+      goto GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__); \
+    } \
+    if (gtest_dt != NULL) { \
+      ::testing::internal::scoped_ptr< ::testing::internal::DeathTest> \
+          gtest_dt_ptr(gtest_dt); \
+      switch (gtest_dt->AssumeRole()) { \
+        case ::testing::internal::DeathTest::OVERSEE_TEST: \
+          if (!gtest_dt->Passed(predicate(gtest_dt->Wait()))) { \
+            goto GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__); \
+          } \
+          break; \
+        case ::testing::internal::DeathTest::EXECUTE_TEST: { \
+          ::testing::internal::DeathTest::ReturnSentinel \
+              gtest_sentinel(gtest_dt); \
+          GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, gtest_dt); \
+          gtest_dt->Abort(::testing::internal::DeathTest::TEST_DID_NOT_DIE); \
+          break; \
+        } \
+        default: \
+          break; \
+      } \
+    } \
+  } else \
+    GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__): \
+      fail(::testing::internal::DeathTest::LastMessage())
+// The symbol "fail" here expands to something into which a message
+// can be streamed.
+
+// This macro is for implementing ASSERT/EXPECT_DEBUG_DEATH when compiled in
+// NDEBUG mode. In this case we need the statements to be executed, the regex is
+// ignored, and the macro must accept a streamed message even though the message
+// is never printed.
+# define GTEST_EXECUTE_STATEMENT_(statement, regex) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (::testing::internal::AlwaysTrue()) { \
+     GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+  } else \
+    ::testing::Message()
+
+// A class representing the parsed contents of the
+// --gtest_internal_run_death_test flag, as it existed when
+// RUN_ALL_TESTS was called.
+class InternalRunDeathTestFlag {
+ public:
+  InternalRunDeathTestFlag(const std::string& a_file,
+                           int a_line,
+                           int an_index,
+                           int a_write_fd)
+      : file_(a_file), line_(a_line), index_(an_index),
+        write_fd_(a_write_fd) {}
+
+  ~InternalRunDeathTestFlag() {
+    if (write_fd_ >= 0)
+      posix::Close(write_fd_);
+  }
+
+  const std::string& file() const { return file_; }
+  int line() const { return line_; }
+  int index() const { return index_; }
+  int write_fd() const { return write_fd_; }
+
+ private:
+  std::string file_;
+  int line_;
+  int index_;
+  int write_fd_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(InternalRunDeathTestFlag);
+};
+
+// Returns a newly created InternalRunDeathTestFlag object with fields
+// initialized from the GTEST_FLAG(internal_run_death_test) flag if
+// the flag is specified; otherwise returns NULL.
+InternalRunDeathTestFlag* ParseInternalRunDeathTestFlag();
+
+#else  // GTEST_HAS_DEATH_TEST
+
+// This macro is used for implementing macros such as
+// EXPECT_DEATH_IF_SUPPORTED and ASSERT_DEATH_IF_SUPPORTED on systems where
+// death tests are not supported. Those macros must compile on such systems
+// iff EXPECT_DEATH and ASSERT_DEATH compile with the same parameters on
+// systems that support death tests. This allows one to write such a macro
+// on a system that does not support death tests and be sure that it will
+// compile on a death-test supporting system.
+//
+// Parameters:
+//   statement -  A statement that a macro such as EXPECT_DEATH would test
+//                for program termination. This macro has to make sure this
+//                statement is compiled but not executed, to ensure that
+//                EXPECT_DEATH_IF_SUPPORTED compiles with a certain
+//                parameter iff EXPECT_DEATH compiles with it.
+//   regex     -  A regex that a macro such as EXPECT_DEATH would use to test
+//                the output of statement.  This parameter has to be
+//                compiled but not evaluated by this macro, to ensure that
+//                this macro only accepts expressions that a macro such as
+//                EXPECT_DEATH would accept.
+//   terminator - Must be an empty statement for EXPECT_DEATH_IF_SUPPORTED
+//                and a return statement for ASSERT_DEATH_IF_SUPPORTED.
+//                This ensures that ASSERT_DEATH_IF_SUPPORTED will not
+//                compile inside functions where ASSERT_DEATH doesn't
+//                compile.
+//
+//  The branch that has an always false condition is used to ensure that
+//  statement and regex are compiled (and thus syntactically correct) but
+//  never executed. The unreachable code macro protects the terminator
+//  statement from generating an 'unreachable code' warning in case
+//  statement unconditionally returns or throws. The Message constructor at
+//  the end allows the syntax of streaming additional messages into the
+//  macro, for compilational compatibility with EXPECT_DEATH/ASSERT_DEATH.
+# define GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, terminator) \
+    GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+    if (::testing::internal::AlwaysTrue()) { \
+      GTEST_LOG_(WARNING) \
+          << "Death tests are not supported on this platform.\n" \
+          << "Statement '" #statement "' cannot be verified."; \
+    } else if (::testing::internal::AlwaysFalse()) { \
+      ::testing::internal::RE::PartialMatch(".*", (regex)); \
+      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
+      terminator; \
+    } else \
+      ::testing::Message()
+
+#endif  // GTEST_HAS_DEATH_TEST
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
+
+namespace testing {
+
+// This flag controls the style of death tests.  Valid values are "threadsafe",
+// meaning that the death test child process will re-execute the test binary
+// from the start, running only a single death test, or "fast",
+// meaning that the child process will execute the test logic immediately
+// after forking.
+GTEST_DECLARE_string_(death_test_style);
+
+#if GTEST_HAS_DEATH_TEST
+
+namespace internal {
+
+// Returns a Boolean value indicating whether the caller is currently
+// executing in the context of the death test child process.  Tools such as
+// Valgrind heap checkers may need this to modify their behavior in death
+// tests.  IMPORTANT: This is an internal utility.  Using it may break the
+// implementation of death tests.  User code MUST NOT use it.
+GTEST_API_ bool InDeathTestChild();
+
+}  // namespace internal
+
+// The following macros are useful for writing death tests.
+
+// Here's what happens when an ASSERT_DEATH* or EXPECT_DEATH* is
+// executed:
+//
+//   1. It generates a warning if there is more than one active
+//   thread.  This is because it's safe to fork() or clone() only
+//   when there is a single thread.
+//
+//   2. The parent process clone()s a sub-process and runs the death
+//   test in it; the sub-process exits with code 0 at the end of the
+//   death test, if it hasn't exited already.
+//
+//   3. The parent process waits for the sub-process to terminate.
+//
+//   4. The parent process checks the exit code and error message of
+//   the sub-process.
+//
+// Examples:
+//
+//   ASSERT_DEATH(server.SendMessage(56, "Hello"), "Invalid port number");
+//   for (int i = 0; i < 5; i++) {
+//     EXPECT_DEATH(server.ProcessRequest(i),
+//                  "Invalid request .* in ProcessRequest()")
+//                  << "Failed to die on request " << i;
+//   }
+//
+//   ASSERT_EXIT(server.ExitNow(), ::testing::ExitedWithCode(0), "Exiting");
+//
+//   bool KilledBySIGHUP(int exit_code) {
+//     return WIFSIGNALED(exit_code) && WTERMSIG(exit_code) == SIGHUP;
+//   }
+//
+//   ASSERT_EXIT(client.HangUpServer(), KilledBySIGHUP, "Hanging up!");
+//
+// On the regular expressions used in death tests:
+//
+//   On POSIX-compliant systems (*nix), we use the <regex.h> library,
+//   which uses the POSIX extended regex syntax.
+//
+//   On other platforms (e.g. Windows), we only support a simple regex
+//   syntax implemented as part of Google Test.  This limited
+//   implementation should be enough most of the time when writing
+//   death tests; though it lacks many features you can find in PCRE
+//   or POSIX extended regex syntax.  For example, we don't support
+//   union ("x|y"), grouping ("(xy)"), brackets ("[xy]"), and
+//   repetition count ("x{5,7}"), among others.
+//
+//   Below is the syntax that we do support.  We chose it to be a
+//   subset of both PCRE and POSIX extended regex, so it's easy to
+//   learn wherever you come from.  In the following: 'A' denotes a
+//   literal character, period (.), or a single \\ escape sequence;
+//   'x' and 'y' denote regular expressions; 'm' and 'n' are for
+//   natural numbers.
+//
+//     c     matches any literal character c
+//     \\d   matches any decimal digit
+//     \\D   matches any character that's not a decimal digit
+//     \\f   matches \f
+//     \\n   matches \n
+//     \\r   matches \r
+//     \\s   matches any ASCII whitespace, including \n
+//     \\S   matches any character that's not a whitespace
+//     \\t   matches \t
+//     \\v   matches \v
+//     \\w   matches any letter, _, or decimal digit
+//     \\W   matches any character that \\w doesn't match
+//     \\c   matches any literal character c, which must be a punctuation
+//     .     matches any single character except \n
+//     A?    matches 0 or 1 occurrences of A
+//     A*    matches 0 or many occurrences of A
+//     A+    matches 1 or many occurrences of A
+//     ^     matches the beginning of a string (not that of each line)
+//     $     matches the end of a string (not that of each line)
+//     xy    matches x followed by y
+//
+//   If you accidentally use PCRE or POSIX extended regex features
+//   not implemented by us, you will get a run-time failure.  In that
+//   case, please try to rewrite your regular expression within the
+//   above syntax.
+//
+//   This implementation is *not* meant to be as highly tuned or robust
+//   as a compiled regex library, but should perform well enough for a
+//   death test, which already incurs significant overhead by launching
+//   a child process.
+//
+// Known caveats:
+//
+//   A "threadsafe" style death test obtains the path to the test
+//   program from argv[0] and re-executes it in the sub-process.  For
+//   simplicity, the current implementation doesn't search the PATH
+//   when launching the sub-process.  This means that the user must
+//   invoke the test program via a path that contains at least one
+//   path separator (e.g. path/to/foo_test and
+//   /absolute/path/to/bar_test are fine, but foo_test is not).  This
+//   is rarely a problem as people usually don't put the test binary
+//   directory in PATH.
+//
+// TODO(wan@google.com): make thread-safe death tests search the PATH.
+
+// Asserts that a given statement causes the program to exit, with an
+// integer exit status that satisfies predicate, and emitting error output
+// that matches regex.
+# define ASSERT_EXIT(statement, predicate, regex) \
+    GTEST_DEATH_TEST_(statement, predicate, regex, GTEST_FATAL_FAILURE_)
+
+// Like ASSERT_EXIT, but continues on to successive tests in the
+// test case, if any:
+# define EXPECT_EXIT(statement, predicate, regex) \
+    GTEST_DEATH_TEST_(statement, predicate, regex, GTEST_NONFATAL_FAILURE_)
+
+// Asserts that a given statement causes the program to exit, either by
+// explicitly exiting with a nonzero exit code or being killed by a
+// signal, and emitting error output that matches regex.
+# define ASSERT_DEATH(statement, regex) \
+    ASSERT_EXIT(statement, ::testing::internal::ExitedUnsuccessfully, regex)
+
+// Like ASSERT_DEATH, but continues on to successive tests in the
+// test case, if any:
+# define EXPECT_DEATH(statement, regex) \
+    EXPECT_EXIT(statement, ::testing::internal::ExitedUnsuccessfully, regex)
+
+// Two predicate classes that can be used in {ASSERT,EXPECT}_EXIT*:
+
+// Tests that an exit code describes a normal exit with a given exit code.
+class GTEST_API_ ExitedWithCode {
+ public:
+  explicit ExitedWithCode(int exit_code);
+  bool operator()(int exit_status) const;
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ExitedWithCode& other);
+
+  const int exit_code_;
+};
+
+# if !GTEST_OS_WINDOWS
+// Tests that an exit code describes an exit due to termination by a
+// given signal.
+class GTEST_API_ KilledBySignal {
+ public:
+  explicit KilledBySignal(int signum);
+  bool operator()(int exit_status) const;
+ private:
+  const int signum_;
+};
+# endif  // !GTEST_OS_WINDOWS
+
+// EXPECT_DEBUG_DEATH asserts that the given statements die in debug mode.
+// The death testing framework causes this to have interesting semantics,
+// since the sideeffects of the call are only visible in opt mode, and not
+// in debug mode.
+//
+// In practice, this can be used to test functions that utilize the
+// LOG(DFATAL) macro using the following style:
+//
+// int DieInDebugOr12(int* sideeffect) {
+//   if (sideeffect) {
+//     *sideeffect = 12;
+//   }
+//   LOG(DFATAL) << "death";
+//   return 12;
+// }
+//
+// TEST(TestCase, TestDieOr12WorksInDgbAndOpt) {
+//   int sideeffect = 0;
+//   // Only asserts in dbg.
+//   EXPECT_DEBUG_DEATH(DieInDebugOr12(&sideeffect), "death");
+//
+// #ifdef NDEBUG
+//   // opt-mode has sideeffect visible.
+//   EXPECT_EQ(12, sideeffect);
+// #else
+//   // dbg-mode no visible sideeffect.
+//   EXPECT_EQ(0, sideeffect);
+// #endif
+// }
+//
+// This will assert that DieInDebugReturn12InOpt() crashes in debug
+// mode, usually due to a DCHECK or LOG(DFATAL), but returns the
+// appropriate fallback value (12 in this case) in opt mode. If you
+// need to test that a function has appropriate side-effects in opt
+// mode, include assertions against the side-effects.  A general
+// pattern for this is:
+//
+// EXPECT_DEBUG_DEATH({
+//   // Side-effects here will have an effect after this statement in
+//   // opt mode, but none in debug mode.
+//   EXPECT_EQ(12, DieInDebugOr12(&sideeffect));
+// }, "death");
+//
+# ifdef NDEBUG
+
+#  define EXPECT_DEBUG_DEATH(statement, regex) \
+  GTEST_EXECUTE_STATEMENT_(statement, regex)
+
+#  define ASSERT_DEBUG_DEATH(statement, regex) \
+  GTEST_EXECUTE_STATEMENT_(statement, regex)
+
+# else
+
+#  define EXPECT_DEBUG_DEATH(statement, regex) \
+  EXPECT_DEATH(statement, regex)
+
+#  define ASSERT_DEBUG_DEATH(statement, regex) \
+  ASSERT_DEATH(statement, regex)
+
+# endif  // NDEBUG for EXPECT_DEBUG_DEATH
+#endif  // GTEST_HAS_DEATH_TEST
+
+// EXPECT_DEATH_IF_SUPPORTED(statement, regex) and
+// ASSERT_DEATH_IF_SUPPORTED(statement, regex) expand to real death tests if
+// death tests are supported; otherwise they just issue a warning.  This is
+// useful when you are combining death test assertions with normal test
+// assertions in one test.
+#if GTEST_HAS_DEATH_TEST
+# define EXPECT_DEATH_IF_SUPPORTED(statement, regex) \
+    EXPECT_DEATH(statement, regex)
+# define ASSERT_DEATH_IF_SUPPORTED(statement, regex) \
+    ASSERT_DEATH(statement, regex)
+#else
+# define EXPECT_DEATH_IF_SUPPORTED(statement, regex) \
+    GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, )
+# define ASSERT_DEATH_IF_SUPPORTED(statement, regex) \
+    GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, return)
+#endif
+
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
+// This file was GENERATED by command:
+//     pump.py gtest-param-test.h.pump
+// DO NOT EDIT BY HAND!!!
+
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: vladl@google.com (Vlad Losev)
+//
+// Macros and functions for implementing parameterized tests
+// in Google C++ Testing Framework (Google Test)
+//
+// This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
+//
+#ifndef GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
+#define GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
+
+
+// Value-parameterized tests allow you to test your code with different
+// parameters without writing multiple copies of the same test.
+//
+// Here is how you use value-parameterized tests:
+
+#if 0
+
+// To write value-parameterized tests, first you should define a fixture
+// class. It is usually derived from testing::TestWithParam<T> (see below for
+// another inheritance scheme that's sometimes useful in more complicated
+// class hierarchies), where the type of your parameter values.
+// TestWithParam<T> is itself derived from testing::Test. T can be any
+// copyable type. If it's a raw pointer, you are responsible for managing the
+// lifespan of the pointed values.
+
+class FooTest : public ::testing::TestWithParam<const char*> {
+  // You can implement all the usual class fixture members here.
+};
+
+// Then, use the TEST_P macro to define as many parameterized tests
+// for this fixture as you want. The _P suffix is for "parameterized"
+// or "pattern", whichever you prefer to think.
+
+TEST_P(FooTest, DoesBlah) {
+  // Inside a test, access the test parameter with the GetParam() method
+  // of the TestWithParam<T> class:
+  EXPECT_TRUE(foo.Blah(GetParam()));
+  ...
+}
+
+TEST_P(FooTest, HasBlahBlah) {
+  ...
+}
+
+// Finally, you can use INSTANTIATE_TEST_CASE_P to instantiate the test
+// case with any set of parameters you want. Google Test defines a number
+// of functions for generating test parameters. They return what we call
+// (surprise!) parameter generators. Here is a  summary of them, which
+// are all in the testing namespace:
+//
+//
+//  Range(begin, end [, step]) - Yields values {begin, begin+step,
+//                               begin+step+step, ...}. The values do not
+//                               include end. step defaults to 1.
+//  Values(v1, v2, ..., vN)    - Yields values {v1, v2, ..., vN}.
+//  ValuesIn(container)        - Yields values from a C-style array, an STL
+//  ValuesIn(begin,end)          container, or an iterator range [begin, end).
+//  Bool()                     - Yields sequence {false, true}.
+//  Combine(g1, g2, ..., gN)   - Yields all combinations (the Cartesian product
+//                               for the math savvy) of the values generated
+//                               by the N generators.
+//
+// For more details, see comments at the definitions of these functions below
+// in this file.
+//
+// The following statement will instantiate tests from the FooTest test case
+// each with parameter values "meeny", "miny", and "moe".
+
+INSTANTIATE_TEST_CASE_P(InstantiationName,
+                        FooTest,
+                        Values("meeny", "miny", "moe"));
+
+// To distinguish different instances of the pattern, (yes, you
+// can instantiate it more then once) the first argument to the
+// INSTANTIATE_TEST_CASE_P macro is a prefix that will be added to the
+// actual test case name. Remember to pick unique prefixes for different
+// instantiations. The tests from the instantiation above will have
+// these names:
+//
+//    * InstantiationName/FooTest.DoesBlah/0 for "meeny"
+//    * InstantiationName/FooTest.DoesBlah/1 for "miny"
+//    * InstantiationName/FooTest.DoesBlah/2 for "moe"
+//    * InstantiationName/FooTest.HasBlahBlah/0 for "meeny"
+//    * InstantiationName/FooTest.HasBlahBlah/1 for "miny"
+//    * InstantiationName/FooTest.HasBlahBlah/2 for "moe"
+//
+// You can use these names in --gtest_filter.
+//
+// This statement will instantiate all tests from FooTest again, each
+// with parameter values "cat" and "dog":
+
+const char* pets[] = {"cat", "dog"};
+INSTANTIATE_TEST_CASE_P(AnotherInstantiationName, FooTest, ValuesIn(pets));
+
+// The tests from the instantiation above will have these names:
+//
+//    * AnotherInstantiationName/FooTest.DoesBlah/0 for "cat"
+//    * AnotherInstantiationName/FooTest.DoesBlah/1 for "dog"
+//    * AnotherInstantiationName/FooTest.HasBlahBlah/0 for "cat"
+//    * AnotherInstantiationName/FooTest.HasBlahBlah/1 for "dog"
+//
+// Please note that INSTANTIATE_TEST_CASE_P will instantiate all tests
+// in the given test case, whether their definitions come before or
+// AFTER the INSTANTIATE_TEST_CASE_P statement.
+//
+// Please also note that generator expressions (including parameters to the
+// generators) are evaluated in InitGoogleTest(), after main() has started.
+// This allows the user on one hand, to adjust generator parameters in order
+// to dynamically determine a set of tests to run and on the other hand,
+// give the user a chance to inspect the generated tests with Google Test
+// reflection API before RUN_ALL_TESTS() is executed.
+//
+// You can see samples/sample7_unittest.cc and samples/sample8_unittest.cc
+// for more examples.
+//
+// In the future, we plan to publish the API for defining new parameter
+// generators. But for now this interface remains part of the internal
+// implementation and is subject to change.
+//
+//
+// A parameterized test fixture must be derived from testing::Test and from
+// testing::WithParamInterface<T>, where T is the type of the parameter
+// values. Inheriting from TestWithParam<T> satisfies that requirement because
+// TestWithParam<T> inherits from both Test and WithParamInterface. In more
+// complicated hierarchies, however, it is occasionally useful to inherit
+// separately from Test and WithParamInterface. For example:
+
+class BaseTest : public ::testing::Test {
+  // You can inherit all the usual members for a non-parameterized test
+  // fixture here.
+};
+
+class DerivedTest : public BaseTest, public ::testing::WithParamInterface<int> {
+  // The usual test fixture members go here too.
+};
+
+TEST_F(BaseTest, HasFoo) {
+  // This is an ordinary non-parameterized test.
+}
+
+TEST_P(DerivedTest, DoesBlah) {
+  // GetParam works just the same here as if you inherit from TestWithParam.
+  EXPECT_TRUE(foo.Blah(GetParam()));
+}
+
+#endif  // 0
+
+
+#if !GTEST_OS_SYMBIAN
+# include <utility>
+#endif
+
+// scripts/fuse_gtest.py depends on gtest's own header being #included
+// *unconditionally*.  Therefore these #includes cannot be moved
+// inside #if GTEST_HAS_PARAM_TEST.
+// Copyright 2008 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: vladl@google.com (Vlad Losev)
+
+// Type and function utilities for implementing parameterized tests.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
+
+#include <iterator>
+#include <utility>
+#include <vector>
+
+// scripts/fuse_gtest.py depends on gtest's own header being #included
+// *unconditionally*.  Therefore these #includes cannot be moved
+// inside #if GTEST_HAS_PARAM_TEST.
+// Copyright 2003 Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Authors: Dan Egnor (egnor@google.com)
+//
+// A "smart" pointer type with reference tracking.  Every pointer to a
+// particular object is kept on a circular linked list.  When the last pointer
+// to an object is destroyed or reassigned, the object is deleted.
+//
+// Used properly, this deletes the object when the last reference goes away.
+// There are several caveats:
+// - Like all reference counting schemes, cycles lead to leaks.
+// - Each smart pointer is actually two pointers (8 bytes instead of 4).
+// - Every time a pointer is assigned, the entire list of pointers to that
+//   object is traversed.  This class is therefore NOT SUITABLE when there
+//   will often be more than two or three pointers to a particular object.
+// - References are only tracked as long as linked_ptr<> objects are copied.
+//   If a linked_ptr<> is converted to a raw pointer and back, BAD THINGS
+//   will happen (double deletion).
+//
+// A good use of this class is storing object references in STL containers.
+// You can safely put linked_ptr<> in a vector<>.
+// Other uses may not be as good.
+//
+// Note: If you use an incomplete type with linked_ptr<>, the class
+// *containing* linked_ptr<> must have a constructor and destructor (even
+// if they do nothing!).
+//
+// Bill Gibbons suggested we use something like this.
+//
+// Thread Safety:
+//   Unlike other linked_ptr implementations, in this implementation
+//   a linked_ptr object is thread-safe in the sense that:
+//     - it's safe to copy linked_ptr objects concurrently,
+//     - it's safe to copy *from* a linked_ptr and read its underlying
+//       raw pointer (e.g. via get()) concurrently, and
+//     - it's safe to write to two linked_ptrs that point to the same
+//       shared object concurrently.
+// TODO(wan@google.com): rename this to safe_linked_ptr to avoid
+// confusion with normal linked_ptr.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
+
+#include <stdlib.h>
+#include <assert.h>
+
+
+namespace testing {
+namespace internal {
+
+// Protects copying of all linked_ptr objects.
+GTEST_API_ GTEST_DECLARE_STATIC_MUTEX_(g_linked_ptr_mutex);
+
+// This is used internally by all instances of linked_ptr<>.  It needs to be
+// a non-template class because different types of linked_ptr<> can refer to
+// the same object (linked_ptr<Superclass>(obj) vs linked_ptr<Subclass>(obj)).
+// So, it needs to be possible for different types of linked_ptr to participate
+// in the same circular linked list, so we need a single class type here.
+//
+// DO NOT USE THIS CLASS DIRECTLY YOURSELF.  Use linked_ptr<T>.
+class linked_ptr_internal {
+ public:
+  // Create a new circle that includes only this instance.
+  void join_new() {
+    next_ = this;
+  }
+
+  // Many linked_ptr operations may change p.link_ for some linked_ptr
+  // variable p in the same circle as this object.  Therefore we need
+  // to prevent two such operations from occurring concurrently.
+  //
+  // Note that different types of linked_ptr objects can coexist in a
+  // circle (e.g. linked_ptr<Base>, linked_ptr<Derived1>, and
+  // linked_ptr<Derived2>).  Therefore we must use a single mutex to
+  // protect all linked_ptr objects.  This can create serious
+  // contention in production code, but is acceptable in a testing
+  // framework.
+
+  // Join an existing circle.
+  void join(linked_ptr_internal const* ptr)
+      GTEST_LOCK_EXCLUDED_(g_linked_ptr_mutex) {
+    MutexLock lock(&g_linked_ptr_mutex);
+
+    linked_ptr_internal const* p = ptr;
+    while (p->next_ != ptr) p = p->next_;
+    p->next_ = this;
+    next_ = ptr;
+  }
+
+  // Leave whatever circle we're part of.  Returns true if we were the
+  // last member of the circle.  Once this is done, you can join() another.
+  bool depart()
+      GTEST_LOCK_EXCLUDED_(g_linked_ptr_mutex) {
+    MutexLock lock(&g_linked_ptr_mutex);
+
+    if (next_ == this) return true;
+    linked_ptr_internal const* p = next_;
+    while (p->next_ != this) p = p->next_;
+    p->next_ = next_;
+    return false;
+  }
+
+ private:
+  mutable linked_ptr_internal const* next_;
+};
+
+template <typename T>
+class linked_ptr {
+ public:
+  typedef T element_type;
+
+  // Take over ownership of a raw pointer.  This should happen as soon as
+  // possible after the object is created.
+  explicit linked_ptr(T* ptr = NULL) { capture(ptr); }
+  ~linked_ptr() { depart(); }
+
+  // Copy an existing linked_ptr<>, adding ourselves to the list of references.
+  template <typename U> linked_ptr(linked_ptr<U> const& ptr) { copy(&ptr); }
+  linked_ptr(linked_ptr const& ptr) {  // NOLINT
+    assert(&ptr != this);
+    copy(&ptr);
+  }
+
+  // Assignment releases the old value and acquires the new.
+  template <typename U> linked_ptr& operator=(linked_ptr<U> const& ptr) {
+    depart();
+    copy(&ptr);
+    return *this;
+  }
+
+  linked_ptr& operator=(linked_ptr const& ptr) {
+    if (&ptr != this) {
+      depart();
+      copy(&ptr);
+    }
+    return *this;
+  }
+
+  // Smart pointer members.
+  void reset(T* ptr = NULL) {
+    depart();
+    capture(ptr);
+  }
+  T* get() const { return value_; }
+  T* operator->() const { return value_; }
+  T& operator*() const { return *value_; }
+
+  bool operator==(T* p) const { return value_ == p; }
+  bool operator!=(T* p) const { return value_ != p; }
+  template <typename U>
+  bool operator==(linked_ptr<U> const& ptr) const {
+    return value_ == ptr.get();
+  }
+  template <typename U>
+  bool operator!=(linked_ptr<U> const& ptr) const {
+    return value_ != ptr.get();
+  }
+
+ private:
+  template <typename U>
+  friend class linked_ptr;
+
+  T* value_;
+  linked_ptr_internal link_;
+
+  void depart() {
+    if (link_.depart()) delete value_;
+  }
+
+  void capture(T* ptr) {
+    value_ = ptr;
+    link_.join_new();
+  }
+
+  template <typename U> void copy(linked_ptr<U> const* ptr) {
+    value_ = ptr->get();
+    if (value_)
+      link_.join(&ptr->link_);
+    else
+      link_.join_new();
+  }
+};
+
+template<typename T> inline
+bool operator==(T* ptr, const linked_ptr<T>& x) {
+  return ptr == x.get();
+}
+
+template<typename T> inline
+bool operator!=(T* ptr, const linked_ptr<T>& x) {
+  return ptr != x.get();
+}
+
+// A function to convert T* into linked_ptr<T>
+// Doing e.g. make_linked_ptr(new FooBarBaz<type>(arg)) is a shorter notation
+// for linked_ptr<FooBarBaz<type> >(new FooBarBaz<type>(arg))
+template <typename T>
+linked_ptr<T> make_linked_ptr(T* ptr) {
+  return linked_ptr<T>(ptr);
+}
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
+// Copyright 2007, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+// Google Test - The Google C++ Testing Framework
+//
+// This file implements a universal value printer that can print a
+// value of any type T:
+//
+//   void ::testing::internal::UniversalPrinter<T>::Print(value, ostream_ptr);
+//
+// A user can teach this function how to print a class type T by
+// defining either operator<<() or PrintTo() in the namespace that
+// defines T.  More specifically, the FIRST defined function in the
+// following list will be used (assuming T is defined in namespace
+// foo):
+//
+//   1. foo::PrintTo(const T&, ostream*)
+//   2. operator<<(ostream&, const T&) defined in either foo or the
+//      global namespace.
+//
+// If none of the above is defined, it will print the debug string of
+// the value if it is a protocol buffer, or print the raw bytes in the
+// value otherwise.
+//
+// To aid debugging: when T is a reference type, the address of the
+// value is also printed; when T is a (const) char pointer, both the
+// pointer value and the NUL-terminated string it points to are
+// printed.
+//
+// We also provide some convenient wrappers:
+//
+//   // Prints a value to a string.  For a (const or not) char
+//   // pointer, the NUL-terminated string (but not the pointer) is
+//   // printed.
+//   std::string ::testing::PrintToString(const T& value);
+//
+//   // Prints a value tersely: for a reference type, the referenced
+//   // value (but not the address) is printed; for a (const or not) char
+//   // pointer, the NUL-terminated string (but not the pointer) is
+//   // printed.
+//   void ::testing::internal::UniversalTersePrint(const T& value, ostream*);
+//
+//   // Prints value using the type inferred by the compiler.  The difference
+//   // from UniversalTersePrint() is that this function prints both the
+//   // pointer and the NUL-terminated string for a (const or not) char pointer.
+//   void ::testing::internal::UniversalPrint(const T& value, ostream*);
+//
+//   // Prints the fields of a tuple tersely to a string vector, one
+//   // element for each field. Tuple support must be enabled in
+//   // gtest-port.h.
+//   std::vector<string> UniversalTersePrintTupleFieldsToStrings(
+//       const Tuple& value);
+//
+// Known limitation:
+//
+// The print primitives print the elements of an STL-style container
+// using the compiler-inferred type of *iter where iter is a
+// const_iterator of the container.  When const_iterator is an input
+// iterator but not a forward iterator, this inferred type may not
+// match value_type, and the print output may be incorrect.  In
+// practice, this is rarely a problem as for most containers
+// const_iterator is a forward iterator.  We'll fix this if there's an
+// actual need for it.  Note that this fix cannot rely on value_type
+// being defined as many user-defined container types don't have
+// value_type.
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
+#define GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
+
+#include <ostream>  // NOLINT
+#include <sstream>
+#include <string>
+#include <utility>
+#include <vector>
+
+namespace testing {
+
+// Definitions in the 'internal' and 'internal2' name spaces are
+// subject to change without notice.  DO NOT USE THEM IN USER CODE!
+namespace internal2 {
+
+// Prints the given number of bytes in the given object to the given
+// ostream.
+GTEST_API_ void PrintBytesInObjectTo(const unsigned char* obj_bytes,
+                                     size_t count,
+                                     ::std::ostream* os);
+
+// For selecting which printer to use when a given type has neither <<
+// nor PrintTo().
+enum TypeKind {
+  kProtobuf,              // a protobuf type
+  kConvertibleToInteger,  // a type implicitly convertible to BiggestInt
+                          // (e.g. a named or unnamed enum type)
+  kOtherType              // anything else
+};
+
+// TypeWithoutFormatter<T, kTypeKind>::PrintValue(value, os) is called
+// by the universal printer to print a value of type T when neither
+// operator<< nor PrintTo() is defined for T, where kTypeKind is the
+// "kind" of T as defined by enum TypeKind.
+template <typename T, TypeKind kTypeKind>
+class TypeWithoutFormatter {
+ public:
+  // This default version is called when kTypeKind is kOtherType.
+  static void PrintValue(const T& value, ::std::ostream* os) {
+    PrintBytesInObjectTo(reinterpret_cast<const unsigned char*>(&value),
+                         sizeof(value), os);
+  }
+};
+
+// We print a protobuf using its ShortDebugString() when the string
+// doesn't exceed this many characters; otherwise we print it using
+// DebugString() for better readability.
+const size_t kProtobufOneLinerMaxLength = 50;
+
+template <typename T>
+class TypeWithoutFormatter<T, kProtobuf> {
+ public:
+  static void PrintValue(const T& value, ::std::ostream* os) {
+    const ::testing::internal::string short_str = value.ShortDebugString();
+    const ::testing::internal::string pretty_str =
+        short_str.length() <= kProtobufOneLinerMaxLength ?
+        short_str : ("\n" + value.DebugString());
+    *os << ("<" + pretty_str + ">");
+  }
+};
+
+template <typename T>
+class TypeWithoutFormatter<T, kConvertibleToInteger> {
+ public:
+  // Since T has no << operator or PrintTo() but can be implicitly
+  // converted to BiggestInt, we print it as a BiggestInt.
+  //
+  // Most likely T is an enum type (either named or unnamed), in which
+  // case printing it as an integer is the desired behavior.  In case
+  // T is not an enum, printing it as an integer is the best we can do
+  // given that it has no user-defined printer.
+  static void PrintValue(const T& value, ::std::ostream* os) {
+    const internal::BiggestInt kBigInt = value;
+    *os << kBigInt;
+  }
+};
+
+// Prints the given value to the given ostream.  If the value is a
+// protocol message, its debug string is printed; if it's an enum or
+// of a type implicitly convertible to BiggestInt, it's printed as an
+// integer; otherwise the bytes in the value are printed.  This is
+// what UniversalPrinter<T>::Print() does when it knows nothing about
+// type T and T has neither << operator nor PrintTo().
+//
+// A user can override this behavior for a class type Foo by defining
+// a << operator in the namespace where Foo is defined.
+//
+// We put this operator in namespace 'internal2' instead of 'internal'
+// to simplify the implementation, as much code in 'internal' needs to
+// use << in STL, which would conflict with our own << were it defined
+// in 'internal'.
+//
+// Note that this operator<< takes a generic std::basic_ostream<Char,
+// CharTraits> type instead of the more restricted std::ostream.  If
+// we define it to take an std::ostream instead, we'll get an
+// "ambiguous overloads" compiler error when trying to print a type
+// Foo that supports streaming to std::basic_ostream<Char,
+// CharTraits>, as the compiler cannot tell whether
+// operator<<(std::ostream&, const T&) or
+// operator<<(std::basic_stream<Char, CharTraits>, const Foo&) is more
+// specific.
+template <typename Char, typename CharTraits, typename T>
+::std::basic_ostream<Char, CharTraits>& operator<<(
+    ::std::basic_ostream<Char, CharTraits>& os, const T& x) {
+  TypeWithoutFormatter<T,
+      (internal::IsAProtocolMessage<T>::value ? kProtobuf :
+       internal::ImplicitlyConvertible<const T&, internal::BiggestInt>::value ?
+       kConvertibleToInteger : kOtherType)>::PrintValue(x, &os);
+  return os;
+}
+
+}  // namespace internal2
+}  // namespace testing
+
+// This namespace MUST NOT BE NESTED IN ::testing, or the name look-up
+// magic needed for implementing UniversalPrinter won't work.
+namespace testing_internal {
+
+// Used to print a value that is not an STL-style container when the
+// user doesn't define PrintTo() for it.
+template <typename T>
+void DefaultPrintNonContainerTo(const T& value, ::std::ostream* os) {
+  // With the following statement, during unqualified name lookup,
+  // testing::internal2::operator<< appears as if it was declared in
+  // the nearest enclosing namespace that contains both
+  // ::testing_internal and ::testing::internal2, i.e. the global
+  // namespace.  For more details, refer to the C++ Standard section
+  // 7.3.4-1 [namespace.udir].  This allows us to fall back onto
+  // testing::internal2::operator<< in case T doesn't come with a <<
+  // operator.
+  //
+  // We cannot write 'using ::testing::internal2::operator<<;', which
+  // gcc 3.3 fails to compile due to a compiler bug.
+  using namespace ::testing::internal2;  // NOLINT
+
+  // Assuming T is defined in namespace foo, in the next statement,
+  // the compiler will consider all of:
+  //
+  //   1. foo::operator<< (thanks to Koenig look-up),
+  //   2. ::operator<< (as the current namespace is enclosed in ::),
+  //   3. testing::internal2::operator<< (thanks to the using statement above).
+  //
+  // The operator<< whose type matches T best will be picked.
+  //
+  // We deliberately allow #2 to be a candidate, as sometimes it's
+  // impossible to define #1 (e.g. when foo is ::std, defining
+  // anything in it is undefined behavior unless you are a compiler
+  // vendor.).
+  *os << value;
+}
+
+}  // namespace testing_internal
+
+namespace testing {
+namespace internal {
+
+// UniversalPrinter<T>::Print(value, ostream_ptr) prints the given
+// value to the given ostream.  The caller must ensure that
+// 'ostream_ptr' is not NULL, or the behavior is undefined.
+//
+// We define UniversalPrinter as a class template (as opposed to a
+// function template), as we need to partially specialize it for
+// reference types, which cannot be done with function templates.
+template <typename T>
+class UniversalPrinter;
+
+template <typename T>
+void UniversalPrint(const T& value, ::std::ostream* os);
+
+// Used to print an STL-style container when the user doesn't define
+// a PrintTo() for it.
+template <typename C>
+void DefaultPrintTo(IsContainer /* dummy */,
+                    false_type /* is not a pointer */,
+                    const C& container, ::std::ostream* os) {
+  const size_t kMaxCount = 32;  // The maximum number of elements to print.
+  *os << '{';
+  size_t count = 0;
+  for (typename C::const_iterator it = container.begin();
+       it != container.end(); ++it, ++count) {
+    if (count > 0) {
+      *os << ',';
+      if (count == kMaxCount) {  // Enough has been printed.
+        *os << " ...";
+        break;
+      }
+    }
+    *os << ' ';
+    // We cannot call PrintTo(*it, os) here as PrintTo() doesn't
+    // handle *it being a native array.
+    internal::UniversalPrint(*it, os);
+  }
+
+  if (count > 0) {
+    *os << ' ';
+  }
+  *os << '}';
+}
+
+// Used to print a pointer that is neither a char pointer nor a member
+// pointer, when the user doesn't define PrintTo() for it.  (A member
+// variable pointer or member function pointer doesn't really point to
+// a location in the address space.  Their representation is
+// implementation-defined.  Therefore they will be printed as raw
+// bytes.)
+template <typename T>
+void DefaultPrintTo(IsNotContainer /* dummy */,
+                    true_type /* is a pointer */,
+                    T* p, ::std::ostream* os) {
+  if (p == NULL) {
+    *os << "NULL";
+  } else {
+    // C++ doesn't allow casting from a function pointer to any object
+    // pointer.
+    //
+    // IsTrue() silences warnings: "Condition is always true",
+    // "unreachable code".
+    if (IsTrue(ImplicitlyConvertible<T*, const void*>::value)) {
+      // T is not a function type.  We just call << to print p,
+      // relying on ADL to pick up user-defined << for their pointer
+      // types, if any.
+      *os << p;
+    } else {
+      // T is a function type, so '*os << p' doesn't do what we want
+      // (it just prints p as bool).  We want to print p as a const
+      // void*.  However, we cannot cast it to const void* directly,
+      // even using reinterpret_cast, as earlier versions of gcc
+      // (e.g. 3.4.5) cannot compile the cast when p is a function
+      // pointer.  Casting to UInt64 first solves the problem.
+      *os << reinterpret_cast<const void*>(
+          reinterpret_cast<internal::UInt64>(p));
+    }
+  }
+}
+
+// Used to print a non-container, non-pointer value when the user
+// doesn't define PrintTo() for it.
+template <typename T>
+void DefaultPrintTo(IsNotContainer /* dummy */,
+                    false_type /* is not a pointer */,
+                    const T& value, ::std::ostream* os) {
+  ::testing_internal::DefaultPrintNonContainerTo(value, os);
+}
+
+// Prints the given value using the << operator if it has one;
+// otherwise prints the bytes in it.  This is what
+// UniversalPrinter<T>::Print() does when PrintTo() is not specialized
+// or overloaded for type T.
+//
+// A user can override this behavior for a class type Foo by defining
+// an overload of PrintTo() in the namespace where Foo is defined.  We
+// give the user this option as sometimes defining a << operator for
+// Foo is not desirable (e.g. the coding style may prevent doing it,
+// or there is already a << operator but it doesn't do what the user
+// wants).
+template <typename T>
+void PrintTo(const T& value, ::std::ostream* os) {
+  // DefaultPrintTo() is overloaded.  The type of its first two
+  // arguments determine which version will be picked.  If T is an
+  // STL-style container, the version for container will be called; if
+  // T is a pointer, the pointer version will be called; otherwise the
+  // generic version will be called.
+  //
+  // Note that we check for container types here, prior to we check
+  // for protocol message types in our operator<<.  The rationale is:
+  //
+  // For protocol messages, we want to give people a chance to
+  // override Google Mock's format by defining a PrintTo() or
+  // operator<<.  For STL containers, other formats can be
+  // incompatible with Google Mock's format for the container
+  // elements; therefore we check for container types here to ensure
+  // that our format is used.
+  //
+  // The second argument of DefaultPrintTo() is needed to bypass a bug
+  // in Symbian's C++ compiler that prevents it from picking the right
+  // overload between:
+  //
+  //   PrintTo(const T& x, ...);
+  //   PrintTo(T* x, ...);
+  DefaultPrintTo(IsContainerTest<T>(0), is_pointer<T>(), value, os);
+}
+
+// The following list of PrintTo() overloads tells
+// UniversalPrinter<T>::Print() how to print standard types (built-in
+// types, strings, plain arrays, and pointers).
+
+// Overloads for various char types.
+GTEST_API_ void PrintTo(unsigned char c, ::std::ostream* os);
+GTEST_API_ void PrintTo(signed char c, ::std::ostream* os);
+inline void PrintTo(char c, ::std::ostream* os) {
+  // When printing a plain char, we always treat it as unsigned.  This
+  // way, the output won't be affected by whether the compiler thinks
+  // char is signed or not.
+  PrintTo(static_cast<unsigned char>(c), os);
+}
+
+// Overloads for other simple built-in types.
+inline void PrintTo(bool x, ::std::ostream* os) {
+  *os << (x ? "true" : "false");
+}
+
+// Overload for wchar_t type.
+// Prints a wchar_t as a symbol if it is printable or as its internal
+// code otherwise and also as its decimal code (except for L'\0').
+// The L'\0' char is printed as "L'\\0'". The decimal code is printed
+// as signed integer when wchar_t is implemented by the compiler
+// as a signed type and is printed as an unsigned integer when wchar_t
+// is implemented as an unsigned type.
+GTEST_API_ void PrintTo(wchar_t wc, ::std::ostream* os);
+
+// Overloads for C strings.
+GTEST_API_ void PrintTo(const char* s, ::std::ostream* os);
+inline void PrintTo(char* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const char*>(s), os);
+}
+
+// signed/unsigned char is often used for representing binary data, so
+// we print pointers to it as void* to be safe.
+inline void PrintTo(const signed char* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const void*>(s), os);
+}
+inline void PrintTo(signed char* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const void*>(s), os);
+}
+inline void PrintTo(const unsigned char* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const void*>(s), os);
+}
+inline void PrintTo(unsigned char* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const void*>(s), os);
+}
+
+// MSVC can be configured to define wchar_t as a typedef of unsigned
+// short.  It defines _NATIVE_WCHAR_T_DEFINED when wchar_t is a native
+// type.  When wchar_t is a typedef, defining an overload for const
+// wchar_t* would cause unsigned short* be printed as a wide string,
+// possibly causing invalid memory accesses.
+#if !defined(_MSC_VER) || defined(_NATIVE_WCHAR_T_DEFINED)
+// Overloads for wide C strings
+GTEST_API_ void PrintTo(const wchar_t* s, ::std::ostream* os);
+inline void PrintTo(wchar_t* s, ::std::ostream* os) {
+  PrintTo(ImplicitCast_<const wchar_t*>(s), os);
+}
+#endif
+
+// Overload for C arrays.  Multi-dimensional arrays are printed
+// properly.
+
+// Prints the given number of elements in an array, without printing
+// the curly braces.
+template <typename T>
+void PrintRawArrayTo(const T a[], size_t count, ::std::ostream* os) {
+  UniversalPrint(a[0], os);
+  for (size_t i = 1; i != count; i++) {
+    *os << ", ";
+    UniversalPrint(a[i], os);
+  }
+}
+
+// Overloads for ::string and ::std::string.
+#if GTEST_HAS_GLOBAL_STRING
+GTEST_API_ void PrintStringTo(const ::string&s, ::std::ostream* os);
+inline void PrintTo(const ::string& s, ::std::ostream* os) {
+  PrintStringTo(s, os);
+}
+#endif  // GTEST_HAS_GLOBAL_STRING
+
+GTEST_API_ void PrintStringTo(const ::std::string&s, ::std::ostream* os);
+inline void PrintTo(const ::std::string& s, ::std::ostream* os) {
+  PrintStringTo(s, os);
+}
+
+// Overloads for ::wstring and ::std::wstring.
+#if GTEST_HAS_GLOBAL_WSTRING
+GTEST_API_ void PrintWideStringTo(const ::wstring&s, ::std::ostream* os);
+inline void PrintTo(const ::wstring& s, ::std::ostream* os) {
+  PrintWideStringTo(s, os);
+}
+#endif  // GTEST_HAS_GLOBAL_WSTRING
+
+#if GTEST_HAS_STD_WSTRING
+GTEST_API_ void PrintWideStringTo(const ::std::wstring&s, ::std::ostream* os);
+inline void PrintTo(const ::std::wstring& s, ::std::ostream* os) {
+  PrintWideStringTo(s, os);
+}
+#endif  // GTEST_HAS_STD_WSTRING
+
+#if GTEST_HAS_TR1_TUPLE
+// Overload for ::std::tr1::tuple.  Needed for printing function arguments,
+// which are packed as tuples.
+
+// Helper function for printing a tuple.  T must be instantiated with
+// a tuple type.
+template <typename T>
+void PrintTupleTo(const T& t, ::std::ostream* os);
+
+// Overloaded PrintTo() for tuples of various arities.  We support
+// tuples of up-to 10 fields.  The following implementation works
+// regardless of whether tr1::tuple is implemented using the
+// non-standard variadic template feature or not.
+
+inline void PrintTo(const ::std::tr1::tuple<>& t, ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1>
+void PrintTo(const ::std::tr1::tuple<T1>& t, ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2>
+void PrintTo(const ::std::tr1::tuple<T1, T2>& t, ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3>& t, ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4>& t, ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5>& t,
+             ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+          typename T6>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6>& t,
+             ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+          typename T6, typename T7>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7>& t,
+             ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+          typename T6, typename T7, typename T8>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8>& t,
+             ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+          typename T6, typename T7, typename T8, typename T9>
+void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9>& t,
+             ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+          typename T6, typename T7, typename T8, typename T9, typename T10>
+void PrintTo(
+    const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10>& t,
+    ::std::ostream* os) {
+  PrintTupleTo(t, os);
+}
+#endif  // GTEST_HAS_TR1_TUPLE
+
+// Overload for std::pair.
+template <typename T1, typename T2>
+void PrintTo(const ::std::pair<T1, T2>& value, ::std::ostream* os) {
+  *os << '(';
+  // We cannot use UniversalPrint(value.first, os) here, as T1 may be
+  // a reference type.  The same for printing value.second.
+  UniversalPrinter<T1>::Print(value.first, os);
+  *os << ", ";
+  UniversalPrinter<T2>::Print(value.second, os);
+  *os << ')';
+}
+
+// Implements printing a non-reference type T by letting the compiler
+// pick the right overload of PrintTo() for T.
+template <typename T>
+class UniversalPrinter {
+ public:
+  // MSVC warns about adding const to a function type, so we want to
+  // disable the warning.
+#ifdef _MSC_VER
+# pragma warning(push)          // Saves the current warning state.
+# pragma warning(disable:4180)  // Temporarily disables warning 4180.
+#endif  // _MSC_VER
+
+  // Note: we deliberately don't call this PrintTo(), as that name
+  // conflicts with ::testing::internal::PrintTo in the body of the
+  // function.
+  static void Print(const T& value, ::std::ostream* os) {
+    // By default, ::testing::internal::PrintTo() is used for printing
+    // the value.
+    //
+    // Thanks to Koenig look-up, if T is a class and has its own
+    // PrintTo() function defined in its namespace, that function will
+    // be visible here.  Since it is more specific than the generic ones
+    // in ::testing::internal, it will be picked by the compiler in the
+    // following statement - exactly what we want.
+    PrintTo(value, os);
+  }
+
+#ifdef _MSC_VER
+# pragma warning(pop)           // Restores the warning state.
+#endif  // _MSC_VER
+};
+
+// UniversalPrintArray(begin, len, os) prints an array of 'len'
+// elements, starting at address 'begin'.
+template <typename T>
+void UniversalPrintArray(const T* begin, size_t len, ::std::ostream* os) {
+  if (len == 0) {
+    *os << "{}";
+  } else {
+    *os << "{ ";
+    const size_t kThreshold = 18;
+    const size_t kChunkSize = 8;
+    // If the array has more than kThreshold elements, we'll have to
+    // omit some details by printing only the first and the last
+    // kChunkSize elements.
+    // TODO(wan@google.com): let the user control the threshold using a flag.
+    if (len <= kThreshold) {
+      PrintRawArrayTo(begin, len, os);
+    } else {
+      PrintRawArrayTo(begin, kChunkSize, os);
+      *os << ", ..., ";
+      PrintRawArrayTo(begin + len - kChunkSize, kChunkSize, os);
+    }
+    *os << " }";
+  }
+}
+// This overload prints a (const) char array compactly.
+GTEST_API_ void UniversalPrintArray(
+    const char* begin, size_t len, ::std::ostream* os);
+
+// This overload prints a (const) wchar_t array compactly.
+GTEST_API_ void UniversalPrintArray(
+    const wchar_t* begin, size_t len, ::std::ostream* os);
+
+// Implements printing an array type T[N].
+template <typename T, size_t N>
+class UniversalPrinter<T[N]> {
+ public:
+  // Prints the given array, omitting some elements when there are too
+  // many.
+  static void Print(const T (&a)[N], ::std::ostream* os) {
+    UniversalPrintArray(a, N, os);
+  }
+};
+
+// Implements printing a reference type T&.
+template <typename T>
+class UniversalPrinter<T&> {
+ public:
+  // MSVC warns about adding const to a function type, so we want to
+  // disable the warning.
+#ifdef _MSC_VER
+# pragma warning(push)          // Saves the current warning state.
+# pragma warning(disable:4180)  // Temporarily disables warning 4180.
+#endif  // _MSC_VER
+
+  static void Print(const T& value, ::std::ostream* os) {
+    // Prints the address of the value.  We use reinterpret_cast here
+    // as static_cast doesn't compile when T is a function type.
+    *os << "@" << reinterpret_cast<const void*>(&value) << " ";
+
+    // Then prints the value itself.
+    UniversalPrint(value, os);
+  }
+
+#ifdef _MSC_VER
+# pragma warning(pop)           // Restores the warning state.
+#endif  // _MSC_VER
+};
+
+// Prints a value tersely: for a reference type, the referenced value
+// (but not the address) is printed; for a (const) char pointer, the
+// NUL-terminated string (but not the pointer) is printed.
+
+template <typename T>
+class UniversalTersePrinter {
+ public:
+  static void Print(const T& value, ::std::ostream* os) {
+    UniversalPrint(value, os);
+  }
+};
+template <typename T>
+class UniversalTersePrinter<T&> {
+ public:
+  static void Print(const T& value, ::std::ostream* os) {
+    UniversalPrint(value, os);
+  }
+};
+template <typename T, size_t N>
+class UniversalTersePrinter<T[N]> {
+ public:
+  static void Print(const T (&value)[N], ::std::ostream* os) {
+    UniversalPrinter<T[N]>::Print(value, os);
+  }
+};
+template <>
+class UniversalTersePrinter<const char*> {
+ public:
+  static void Print(const char* str, ::std::ostream* os) {
+    if (str == NULL) {
+      *os << "NULL";
+    } else {
+      UniversalPrint(string(str), os);
+    }
+  }
+};
+template <>
+class UniversalTersePrinter<char*> {
+ public:
+  static void Print(char* str, ::std::ostream* os) {
+    UniversalTersePrinter<const char*>::Print(str, os);
+  }
+};
+
+#if GTEST_HAS_STD_WSTRING
+template <>
+class UniversalTersePrinter<const wchar_t*> {
+ public:
+  static void Print(const wchar_t* str, ::std::ostream* os) {
+    if (str == NULL) {
+      *os << "NULL";
+    } else {
+      UniversalPrint(::std::wstring(str), os);
+    }
+  }
+};
+#endif
+
+template <>
+class UniversalTersePrinter<wchar_t*> {
+ public:
+  static void Print(wchar_t* str, ::std::ostream* os) {
+    UniversalTersePrinter<const wchar_t*>::Print(str, os);
+  }
+};
+
+template <typename T>
+void UniversalTersePrint(const T& value, ::std::ostream* os) {
+  UniversalTersePrinter<T>::Print(value, os);
+}
+
+// Prints a value using the type inferred by the compiler.  The
+// difference between this and UniversalTersePrint() is that for a
+// (const) char pointer, this prints both the pointer and the
+// NUL-terminated string.
+template <typename T>
+void UniversalPrint(const T& value, ::std::ostream* os) {
+  // A workarond for the bug in VC++ 7.1 that prevents us from instantiating
+  // UniversalPrinter with T directly.
+  typedef T T1;
+  UniversalPrinter<T1>::Print(value, os);
+}
+
+#if GTEST_HAS_TR1_TUPLE
+typedef ::std::vector<string> Strings;
+
+// This helper template allows PrintTo() for tuples and
+// UniversalTersePrintTupleFieldsToStrings() to be defined by
+// induction on the number of tuple fields.  The idea is that
+// TuplePrefixPrinter<N>::PrintPrefixTo(t, os) prints the first N
+// fields in tuple t, and can be defined in terms of
+// TuplePrefixPrinter<N - 1>.
+
+// The inductive case.
+template <size_t N>
+struct TuplePrefixPrinter {
+  // Prints the first N fields of a tuple.
+  template <typename Tuple>
+  static void PrintPrefixTo(const Tuple& t, ::std::ostream* os) {
+    TuplePrefixPrinter<N - 1>::PrintPrefixTo(t, os);
+    *os << ", ";
+    UniversalPrinter<typename ::std::tr1::tuple_element<N - 1, Tuple>::type>
+        ::Print(::std::tr1::get<N - 1>(t), os);
+  }
+
+  // Tersely prints the first N fields of a tuple to a string vector,
+  // one element for each field.
+  template <typename Tuple>
+  static void TersePrintPrefixToStrings(const Tuple& t, Strings* strings) {
+    TuplePrefixPrinter<N - 1>::TersePrintPrefixToStrings(t, strings);
+    ::std::stringstream ss;
+    UniversalTersePrint(::std::tr1::get<N - 1>(t), &ss);
+    strings->push_back(ss.str());
+  }
+};
+
+// Base cases.
+template <>
+struct TuplePrefixPrinter<0> {
+  template <typename Tuple>
+  static void PrintPrefixTo(const Tuple&, ::std::ostream*) {}
+
+  template <typename Tuple>
+  static void TersePrintPrefixToStrings(const Tuple&, Strings*) {}
+};
+// We have to specialize the entire TuplePrefixPrinter<> class
+// template here, even though the definition of
+// TersePrintPrefixToStrings() is the same as the generic version, as
+// Embarcadero (formerly CodeGear, formerly Borland) C++ doesn't
+// support specializing a method template of a class template.
+template <>
+struct TuplePrefixPrinter<1> {
+  template <typename Tuple>
+  static void PrintPrefixTo(const Tuple& t, ::std::ostream* os) {
+    UniversalPrinter<typename ::std::tr1::tuple_element<0, Tuple>::type>::
+        Print(::std::tr1::get<0>(t), os);
+  }
+
+  template <typename Tuple>
+  static void TersePrintPrefixToStrings(const Tuple& t, Strings* strings) {
+    ::std::stringstream ss;
+    UniversalTersePrint(::std::tr1::get<0>(t), &ss);
+    strings->push_back(ss.str());
+  }
+};
+
+// Helper function for printing a tuple.  T must be instantiated with
+// a tuple type.
+template <typename T>
+void PrintTupleTo(const T& t, ::std::ostream* os) {
+  *os << "(";
+  TuplePrefixPrinter< ::std::tr1::tuple_size<T>::value>::
+      PrintPrefixTo(t, os);
+  *os << ")";
+}
+
+// Prints the fields of a tuple tersely to a string vector, one
+// element for each field.  See the comment before
+// UniversalTersePrint() for how we define "tersely".
+template <typename Tuple>
+Strings UniversalTersePrintTupleFieldsToStrings(const Tuple& value) {
+  Strings result;
+  TuplePrefixPrinter< ::std::tr1::tuple_size<Tuple>::value>::
+      TersePrintPrefixToStrings(value, &result);
+  return result;
+}
+#endif  // GTEST_HAS_TR1_TUPLE
+
+}  // namespace internal
+
+template <typename T>
+::std::string PrintToString(const T& value) {
+  ::std::stringstream ss;
+  internal::UniversalTersePrinter<T>::Print(value, &ss);
+  return ss.str();
+}
+
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
+
+#if GTEST_HAS_PARAM_TEST
+
+namespace testing {
+namespace internal {
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Outputs a message explaining invalid registration of different
+// fixture class for the same test case. This may happen when
+// TEST_P macro is used to define two tests with the same name
+// but in different namespaces.
+GTEST_API_ void ReportInvalidTestCaseType(const char* test_case_name,
+                                          const char* file, int line);
+
+template <typename> class ParamGeneratorInterface;
+template <typename> class ParamGenerator;
+
+// Interface for iterating over elements provided by an implementation
+// of ParamGeneratorInterface<T>.
+template <typename T>
+class ParamIteratorInterface {
+ public:
+  virtual ~ParamIteratorInterface() {}
+  // A pointer to the base generator instance.
+  // Used only for the purposes of iterator comparison
+  // to make sure that two iterators belong to the same generator.
+  virtual const ParamGeneratorInterface<T>* BaseGenerator() const = 0;
+  // Advances iterator to point to the next element
+  // provided by the generator. The caller is responsible
+  // for not calling Advance() on an iterator equal to
+  // BaseGenerator()->End().
+  virtual void Advance() = 0;
+  // Clones the iterator object. Used for implementing copy semantics
+  // of ParamIterator<T>.
+  virtual ParamIteratorInterface* Clone() const = 0;
+  // Dereferences the current iterator and provides (read-only) access
+  // to the pointed value. It is the caller's responsibility not to call
+  // Current() on an iterator equal to BaseGenerator()->End().
+  // Used for implementing ParamGenerator<T>::operator*().
+  virtual const T* Current() const = 0;
+  // Determines whether the given iterator and other point to the same
+  // element in the sequence generated by the generator.
+  // Used for implementing ParamGenerator<T>::operator==().
+  virtual bool Equals(const ParamIteratorInterface& other) const = 0;
+};
+
+// Class iterating over elements provided by an implementation of
+// ParamGeneratorInterface<T>. It wraps ParamIteratorInterface<T>
+// and implements the const forward iterator concept.
+template <typename T>
+class ParamIterator {
+ public:
+  typedef T value_type;
+  typedef const T& reference;
+  typedef ptrdiff_t difference_type;
+
+  // ParamIterator assumes ownership of the impl_ pointer.
+  ParamIterator(const ParamIterator& other) : impl_(other.impl_->Clone()) {}
+  ParamIterator& operator=(const ParamIterator& other) {
+    if (this != &other)
+      impl_.reset(other.impl_->Clone());
+    return *this;
+  }
+
+  const T& operator*() const { return *impl_->Current(); }
+  const T* operator->() const { return impl_->Current(); }
+  // Prefix version of operator++.
+  ParamIterator& operator++() {
+    impl_->Advance();
+    return *this;
+  }
+  // Postfix version of operator++.
+  ParamIterator operator++(int /*unused*/) {
+    ParamIteratorInterface<T>* clone = impl_->Clone();
+    impl_->Advance();
+    return ParamIterator(clone);
+  }
+  bool operator==(const ParamIterator& other) const {
+    return impl_.get() == other.impl_.get() || impl_->Equals(*other.impl_);
+  }
+  bool operator!=(const ParamIterator& other) const {
+    return !(*this == other);
+  }
+
+ private:
+  friend class ParamGenerator<T>;
+  explicit ParamIterator(ParamIteratorInterface<T>* impl) : impl_(impl) {}
+  scoped_ptr<ParamIteratorInterface<T> > impl_;
+};
+
+// ParamGeneratorInterface<T> is the binary interface to access generators
+// defined in other translation units.
+template <typename T>
+class ParamGeneratorInterface {
+ public:
+  typedef T ParamType;
+
+  virtual ~ParamGeneratorInterface() {}
+
+  // Generator interface definition
+  virtual ParamIteratorInterface<T>* Begin() const = 0;
+  virtual ParamIteratorInterface<T>* End() const = 0;
+};
+
+// Wraps ParamGeneratorInterface<T> and provides general generator syntax
+// compatible with the STL Container concept.
+// This class implements copy initialization semantics and the contained
+// ParamGeneratorInterface<T> instance is shared among all copies
+// of the original object. This is possible because that instance is immutable.
+template<typename T>
+class ParamGenerator {
+ public:
+  typedef ParamIterator<T> iterator;
+
+  explicit ParamGenerator(ParamGeneratorInterface<T>* impl) : impl_(impl) {}
+  ParamGenerator(const ParamGenerator& other) : impl_(other.impl_) {}
+
+  ParamGenerator& operator=(const ParamGenerator& other) {
+    impl_ = other.impl_;
+    return *this;
+  }
+
+  iterator begin() const { return iterator(impl_->Begin()); }
+  iterator end() const { return iterator(impl_->End()); }
+
+ private:
+  linked_ptr<const ParamGeneratorInterface<T> > impl_;
+};
+
+// Generates values from a range of two comparable values. Can be used to
+// generate sequences of user-defined types that implement operator+() and
+// operator<().
+// This class is used in the Range() function.
+template <typename T, typename IncrementT>
+class RangeGenerator : public ParamGeneratorInterface<T> {
+ public:
+  RangeGenerator(T begin, T end, IncrementT step)
+      : begin_(begin), end_(end),
+        step_(step), end_index_(CalculateEndIndex(begin, end, step)) {}
+  virtual ~RangeGenerator() {}
+
+  virtual ParamIteratorInterface<T>* Begin() const {
+    return new Iterator(this, begin_, 0, step_);
+  }
+  virtual ParamIteratorInterface<T>* End() const {
+    return new Iterator(this, end_, end_index_, step_);
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<T> {
+   public:
+    Iterator(const ParamGeneratorInterface<T>* base, T value, int index,
+             IncrementT step)
+        : base_(base), value_(value), index_(index), step_(step) {}
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<T>* BaseGenerator() const {
+      return base_;
+    }
+    virtual void Advance() {
+      value_ = value_ + step_;
+      index_++;
+    }
+    virtual ParamIteratorInterface<T>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const T* Current() const { return &value_; }
+    virtual bool Equals(const ParamIteratorInterface<T>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const int other_index =
+          CheckedDowncastToActualType<const Iterator>(&other)->index_;
+      return index_ == other_index;
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : ParamIteratorInterface<T>(),
+          base_(other.base_), value_(other.value_), index_(other.index_),
+          step_(other.step_) {}
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<T>* const base_;
+    T value_;
+    int index_;
+    const IncrementT step_;
+  };  // class RangeGenerator::Iterator
+
+  static int CalculateEndIndex(const T& begin,
+                               const T& end,
+                               const IncrementT& step) {
+    int end_index = 0;
+    for (T i = begin; i < end; i = i + step)
+      end_index++;
+    return end_index;
+  }
+
+  // No implementation - assignment is unsupported.
+  void operator=(const RangeGenerator& other);
+
+  const T begin_;
+  const T end_;
+  const IncrementT step_;
+  // The index for the end() iterator. All the elements in the generated
+  // sequence are indexed (0-based) to aid iterator comparison.
+  const int end_index_;
+};  // class RangeGenerator
+
+
+// Generates values from a pair of STL-style iterators. Used in the
+// ValuesIn() function. The elements are copied from the source range
+// since the source can be located on the stack, and the generator
+// is likely to persist beyond that stack frame.
+template <typename T>
+class ValuesInIteratorRangeGenerator : public ParamGeneratorInterface<T> {
+ public:
+  template <typename ForwardIterator>
+  ValuesInIteratorRangeGenerator(ForwardIterator begin, ForwardIterator end)
+      : container_(begin, end) {}
+  virtual ~ValuesInIteratorRangeGenerator() {}
+
+  virtual ParamIteratorInterface<T>* Begin() const {
+    return new Iterator(this, container_.begin());
+  }
+  virtual ParamIteratorInterface<T>* End() const {
+    return new Iterator(this, container_.end());
+  }
+
+ private:
+  typedef typename ::std::vector<T> ContainerType;
+
+  class Iterator : public ParamIteratorInterface<T> {
+   public:
+    Iterator(const ParamGeneratorInterface<T>* base,
+             typename ContainerType::const_iterator iterator)
+        : base_(base), iterator_(iterator) {}
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<T>* BaseGenerator() const {
+      return base_;
+    }
+    virtual void Advance() {
+      ++iterator_;
+      value_.reset();
+    }
+    virtual ParamIteratorInterface<T>* Clone() const {
+      return new Iterator(*this);
+    }
+    // We need to use cached value referenced by iterator_ because *iterator_
+    // can return a temporary object (and of type other then T), so just
+    // having "return &*iterator_;" doesn't work.
+    // value_ is updated here and not in Advance() because Advance()
+    // can advance iterator_ beyond the end of the range, and we cannot
+    // detect that fact. The client code, on the other hand, is
+    // responsible for not calling Current() on an out-of-range iterator.
+    virtual const T* Current() const {
+      if (value_.get() == NULL)
+        value_.reset(new T(*iterator_));
+      return value_.get();
+    }
+    virtual bool Equals(const ParamIteratorInterface<T>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      return iterator_ ==
+          CheckedDowncastToActualType<const Iterator>(&other)->iterator_;
+    }
+
+   private:
+    Iterator(const Iterator& other)
+          // The explicit constructor call suppresses a false warning
+          // emitted by gcc when supplied with the -Wextra option.
+        : ParamIteratorInterface<T>(),
+          base_(other.base_),
+          iterator_(other.iterator_) {}
+
+    const ParamGeneratorInterface<T>* const base_;
+    typename ContainerType::const_iterator iterator_;
+    // A cached value of *iterator_. We keep it here to allow access by
+    // pointer in the wrapping iterator's operator->().
+    // value_ needs to be mutable to be accessed in Current().
+    // Use of scoped_ptr helps manage cached value's lifetime,
+    // which is bound by the lifespan of the iterator itself.
+    mutable scoped_ptr<const T> value_;
+  };  // class ValuesInIteratorRangeGenerator::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const ValuesInIteratorRangeGenerator& other);
+
+  const ContainerType container_;
+};  // class ValuesInIteratorRangeGenerator
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Stores a parameter value and later creates tests parameterized with that
+// value.
+template <class TestClass>
+class ParameterizedTestFactory : public TestFactoryBase {
+ public:
+  typedef typename TestClass::ParamType ParamType;
+  explicit ParameterizedTestFactory(ParamType parameter) :
+      parameter_(parameter) {}
+  virtual Test* CreateTest() {
+    TestClass::SetParam(&parameter_);
+    return new TestClass();
+  }
+
+ private:
+  const ParamType parameter_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestFactory);
+};
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// TestMetaFactoryBase is a base class for meta-factories that create
+// test factories for passing into MakeAndRegisterTestInfo function.
+template <class ParamType>
+class TestMetaFactoryBase {
+ public:
+  virtual ~TestMetaFactoryBase() {}
+
+  virtual TestFactoryBase* CreateTestFactory(ParamType parameter) = 0;
+};
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// TestMetaFactory creates test factories for passing into
+// MakeAndRegisterTestInfo function. Since MakeAndRegisterTestInfo receives
+// ownership of test factory pointer, same factory object cannot be passed
+// into that method twice. But ParameterizedTestCaseInfo is going to call
+// it for each Test/Parameter value combination. Thus it needs meta factory
+// creator class.
+template <class TestCase>
+class TestMetaFactory
+    : public TestMetaFactoryBase<typename TestCase::ParamType> {
+ public:
+  typedef typename TestCase::ParamType ParamType;
+
+  TestMetaFactory() {}
+
+  virtual TestFactoryBase* CreateTestFactory(ParamType parameter) {
+    return new ParameterizedTestFactory<TestCase>(parameter);
+  }
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestMetaFactory);
+};
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// ParameterizedTestCaseInfoBase is a generic interface
+// to ParameterizedTestCaseInfo classes. ParameterizedTestCaseInfoBase
+// accumulates test information provided by TEST_P macro invocations
+// and generators provided by INSTANTIATE_TEST_CASE_P macro invocations
+// and uses that information to register all resulting test instances
+// in RegisterTests method. The ParameterizeTestCaseRegistry class holds
+// a collection of pointers to the ParameterizedTestCaseInfo objects
+// and calls RegisterTests() on each of them when asked.
+class ParameterizedTestCaseInfoBase {
+ public:
+  virtual ~ParameterizedTestCaseInfoBase() {}
+
+  // Base part of test case name for display purposes.
+  virtual const string& GetTestCaseName() const = 0;
+  // Test case id to verify identity.
+  virtual TypeId GetTestCaseTypeId() const = 0;
+  // UnitTest class invokes this method to register tests in this
+  // test case right before running them in RUN_ALL_TESTS macro.
+  // This method should not be called more then once on any single
+  // instance of a ParameterizedTestCaseInfoBase derived class.
+  virtual void RegisterTests() = 0;
+
+ protected:
+  ParameterizedTestCaseInfoBase() {}
+
+ private:
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseInfoBase);
+};
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// ParameterizedTestCaseInfo accumulates tests obtained from TEST_P
+// macro invocations for a particular test case and generators
+// obtained from INSTANTIATE_TEST_CASE_P macro invocations for that
+// test case. It registers tests with all values generated by all
+// generators when asked.
+template <class TestCase>
+class ParameterizedTestCaseInfo : public ParameterizedTestCaseInfoBase {
+ public:
+  // ParamType and GeneratorCreationFunc are private types but are required
+  // for declarations of public methods AddTestPattern() and
+  // AddTestCaseInstantiation().
+  typedef typename TestCase::ParamType ParamType;
+  // A function that returns an instance of appropriate generator type.
+  typedef ParamGenerator<ParamType>(GeneratorCreationFunc)();
+
+  explicit ParameterizedTestCaseInfo(const char* name)
+      : test_case_name_(name) {}
+
+  // Test case base name for display purposes.
+  virtual const string& GetTestCaseName() const { return test_case_name_; }
+  // Test case id to verify identity.
+  virtual TypeId GetTestCaseTypeId() const { return GetTypeId<TestCase>(); }
+  // TEST_P macro uses AddTestPattern() to record information
+  // about a single test in a LocalTestInfo structure.
+  // test_case_name is the base name of the test case (without invocation
+  // prefix). test_base_name is the name of an individual test without
+  // parameter index. For the test SequenceA/FooTest.DoBar/1 FooTest is
+  // test case base name and DoBar is test base name.
+  void AddTestPattern(const char* test_case_name,
+                      const char* test_base_name,
+                      TestMetaFactoryBase<ParamType>* meta_factory) {
+    tests_.push_back(linked_ptr<TestInfo>(new TestInfo(test_case_name,
+                                                       test_base_name,
+                                                       meta_factory)));
+  }
+  // INSTANTIATE_TEST_CASE_P macro uses AddGenerator() to record information
+  // about a generator.
+  int AddTestCaseInstantiation(const string& instantiation_name,
+                               GeneratorCreationFunc* func,
+                               const char* /* file */,
+                               int /* line */) {
+    instantiations_.push_back(::std::make_pair(instantiation_name, func));
+    return 0;  // Return value used only to run this method in namespace scope.
+  }
+  // UnitTest class invokes this method to register tests in this test case
+  // test cases right before running tests in RUN_ALL_TESTS macro.
+  // This method should not be called more then once on any single
+  // instance of a ParameterizedTestCaseInfoBase derived class.
+  // UnitTest has a guard to prevent from calling this method more then once.
+  virtual void RegisterTests() {
+    for (typename TestInfoContainer::iterator test_it = tests_.begin();
+         test_it != tests_.end(); ++test_it) {
+      linked_ptr<TestInfo> test_info = *test_it;
+      for (typename InstantiationContainer::iterator gen_it =
+               instantiations_.begin(); gen_it != instantiations_.end();
+               ++gen_it) {
+        const string& instantiation_name = gen_it->first;
+        ParamGenerator<ParamType> generator((*gen_it->second)());
+
+        string test_case_name;
+        if ( !instantiation_name.empty() )
+          test_case_name = instantiation_name + "/";
+        test_case_name += test_info->test_case_base_name;
+
+        int i = 0;
+        for (typename ParamGenerator<ParamType>::iterator param_it =
+                 generator.begin();
+             param_it != generator.end(); ++param_it, ++i) {
+          Message test_name_stream;
+          test_name_stream << test_info->test_base_name << "/" << i;
+          MakeAndRegisterTestInfo(
+              test_case_name.c_str(),
+              test_name_stream.GetString().c_str(),
+              NULL,  // No type parameter.
+              PrintToString(*param_it).c_str(),
+              GetTestCaseTypeId(),
+              TestCase::SetUpTestCase,
+              TestCase::TearDownTestCase,
+              test_info->test_meta_factory->CreateTestFactory(*param_it));
+        }  // for param_it
+      }  // for gen_it
+    }  // for test_it
+  }  // RegisterTests
+
+ private:
+  // LocalTestInfo structure keeps information about a single test registered
+  // with TEST_P macro.
+  struct TestInfo {
+    TestInfo(const char* a_test_case_base_name,
+             const char* a_test_base_name,
+             TestMetaFactoryBase<ParamType>* a_test_meta_factory) :
+        test_case_base_name(a_test_case_base_name),
+        test_base_name(a_test_base_name),
+        test_meta_factory(a_test_meta_factory) {}
+
+    const string test_case_base_name;
+    const string test_base_name;
+    const scoped_ptr<TestMetaFactoryBase<ParamType> > test_meta_factory;
+  };
+  typedef ::std::vector<linked_ptr<TestInfo> > TestInfoContainer;
+  // Keeps pairs of <Instantiation name, Sequence generator creation function>
+  // received from INSTANTIATE_TEST_CASE_P macros.
+  typedef ::std::vector<std::pair<string, GeneratorCreationFunc*> >
+      InstantiationContainer;
+
+  const string test_case_name_;
+  TestInfoContainer tests_;
+  InstantiationContainer instantiations_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseInfo);
+};  // class ParameterizedTestCaseInfo
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// ParameterizedTestCaseRegistry contains a map of ParameterizedTestCaseInfoBase
+// classes accessed by test case names. TEST_P and INSTANTIATE_TEST_CASE_P
+// macros use it to locate their corresponding ParameterizedTestCaseInfo
+// descriptors.
+class ParameterizedTestCaseRegistry {
+ public:
+  ParameterizedTestCaseRegistry() {}
+  ~ParameterizedTestCaseRegistry() {
+    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
+         it != test_case_infos_.end(); ++it) {
+      delete *it;
+    }
+  }
+
+  // Looks up or creates and returns a structure containing information about
+  // tests and instantiations of a particular test case.
+  template <class TestCase>
+  ParameterizedTestCaseInfo<TestCase>* GetTestCasePatternHolder(
+      const char* test_case_name,
+      const char* file,
+      int line) {
+    ParameterizedTestCaseInfo<TestCase>* typed_test_info = NULL;
+    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
+         it != test_case_infos_.end(); ++it) {
+      if ((*it)->GetTestCaseName() == test_case_name) {
+        if ((*it)->GetTestCaseTypeId() != GetTypeId<TestCase>()) {
+          // Complain about incorrect usage of Google Test facilities
+          // and terminate the program since we cannot guaranty correct
+          // test case setup and tear-down in this case.
+          ReportInvalidTestCaseType(test_case_name,  file, line);
+          posix::Abort();
+        } else {
+          // At this point we are sure that the object we found is of the same
+          // type we are looking for, so we downcast it to that type
+          // without further checks.
+          typed_test_info = CheckedDowncastToActualType<
+              ParameterizedTestCaseInfo<TestCase> >(*it);
+        }
+        break;
+      }
+    }
+    if (typed_test_info == NULL) {
+      typed_test_info = new ParameterizedTestCaseInfo<TestCase>(test_case_name);
+      test_case_infos_.push_back(typed_test_info);
+    }
+    return typed_test_info;
+  }
+  void RegisterTests() {
+    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
+         it != test_case_infos_.end(); ++it) {
+      (*it)->RegisterTests();
+    }
+  }
+
+ private:
+  typedef ::std::vector<ParameterizedTestCaseInfoBase*> TestCaseInfoContainer;
+
+  TestCaseInfoContainer test_case_infos_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseRegistry);
+};
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  //  GTEST_HAS_PARAM_TEST
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
+// This file was GENERATED by command:
+//     pump.py gtest-param-util-generated.h.pump
+// DO NOT EDIT BY HAND!!!
+
+// Copyright 2008 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: vladl@google.com (Vlad Losev)
+
+// Type and function utilities for implementing parameterized tests.
+// This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
+//
+// Currently Google Test supports at most 50 arguments in Values,
+// and at most 10 arguments in Combine. Please contact
+// googletestframework@googlegroups.com if you need more.
+// Please note that the number of arguments to Combine is limited
+// by the maximum arity of the implementation of tr1::tuple which is
+// currently set at 10.
+
+#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
+#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
+
+// scripts/fuse_gtest.py depends on gtest's own header being #included
+// *unconditionally*.  Therefore these #includes cannot be moved
+// inside #if GTEST_HAS_PARAM_TEST.
+
+#if GTEST_HAS_PARAM_TEST
+
+namespace testing {
+
+// Forward declarations of ValuesIn(), which is implemented in
+// include/gtest/gtest-param-test.h.
+template <typename ForwardIterator>
+internal::ParamGenerator<
+  typename ::testing::internal::IteratorTraits<ForwardIterator>::value_type>
+ValuesIn(ForwardIterator begin, ForwardIterator end);
+
+template <typename T, size_t N>
+internal::ParamGenerator<T> ValuesIn(const T (&array)[N]);
+
+template <class Container>
+internal::ParamGenerator<typename Container::value_type> ValuesIn(
+    const Container& container);
+
+namespace internal {
+
+// Used in the Values() function to provide polymorphic capabilities.
+template <typename T1>
+class ValueArray1 {
+ public:
+  explicit ValueArray1(T1 v1) : v1_(v1) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const { return ValuesIn(&v1_, &v1_ + 1); }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray1& other);
+
+  const T1 v1_;
+};
+
+template <typename T1, typename T2>
+class ValueArray2 {
+ public:
+  ValueArray2(T1 v1, T2 v2) : v1_(v1), v2_(v2) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray2& other);
+
+  const T1 v1_;
+  const T2 v2_;
+};
+
+template <typename T1, typename T2, typename T3>
+class ValueArray3 {
+ public:
+  ValueArray3(T1 v1, T2 v2, T3 v3) : v1_(v1), v2_(v2), v3_(v3) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray3& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4>
+class ValueArray4 {
+ public:
+  ValueArray4(T1 v1, T2 v2, T3 v3, T4 v4) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray4& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+class ValueArray5 {
+ public:
+  ValueArray5(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray5& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6>
+class ValueArray6 {
+ public:
+  ValueArray6(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray6& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7>
+class ValueArray7 {
+ public:
+  ValueArray7(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray7& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8>
+class ValueArray8 {
+ public:
+  ValueArray8(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+      T8 v8) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray8& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9>
+class ValueArray9 {
+ public:
+  ValueArray9(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
+      T9 v9) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray9& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10>
+class ValueArray10 {
+ public:
+  ValueArray10(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray10& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11>
+class ValueArray11 {
+ public:
+  ValueArray11(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
+      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray11& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12>
+class ValueArray12 {
+ public:
+  ValueArray12(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
+      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray12& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13>
+class ValueArray13 {
+ public:
+  ValueArray13(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
+      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
+      v12_(v12), v13_(v13) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray13& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14>
+class ValueArray14 {
+ public:
+  ValueArray14(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray14& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15>
+class ValueArray15 {
+ public:
+  ValueArray15(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray15& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16>
+class ValueArray16 {
+ public:
+  ValueArray16(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
+      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
+      v16_(v16) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray16& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17>
+class ValueArray17 {
+ public:
+  ValueArray17(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
+      T17 v17) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray17& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18>
+class ValueArray18 {
+ public:
+  ValueArray18(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray18& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19>
+class ValueArray19 {
+ public:
+  ValueArray19(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
+      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
+      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray19& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20>
+class ValueArray20 {
+ public:
+  ValueArray20(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
+      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
+      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
+      v19_(v19), v20_(v20) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray20& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21>
+class ValueArray21 {
+ public:
+  ValueArray21(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
+      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
+      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
+      v18_(v18), v19_(v19), v20_(v20), v21_(v21) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray21& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22>
+class ValueArray22 {
+ public:
+  ValueArray22(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray22& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23>
+class ValueArray23 {
+ public:
+  ValueArray23(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray23& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24>
+class ValueArray24 {
+ public:
+  ValueArray24(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
+      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
+      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
+      v22_(v22), v23_(v23), v24_(v24) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray24& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25>
+class ValueArray25 {
+ public:
+  ValueArray25(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
+      T25 v25) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray25& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26>
+class ValueArray26 {
+ public:
+  ValueArray26(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray26& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27>
+class ValueArray27 {
+ public:
+  ValueArray27(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
+      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
+      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
+      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
+      v26_(v26), v27_(v27) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray27& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28>
+class ValueArray28 {
+ public:
+  ValueArray28(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
+      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
+      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
+      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
+      v25_(v25), v26_(v26), v27_(v27), v28_(v28) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray28& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29>
+class ValueArray29 {
+ public:
+  ValueArray29(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
+      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
+      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
+      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
+      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray29& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30>
+class ValueArray30 {
+ public:
+  ValueArray30(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray30& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31>
+class ValueArray31 {
+ public:
+  ValueArray31(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30), v31_(v31) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray31& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32>
+class ValueArray32 {
+ public:
+  ValueArray32(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
+      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
+      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
+      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
+      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray32& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33>
+class ValueArray33 {
+ public:
+  ValueArray33(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32,
+      T33 v33) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray33& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34>
+class ValueArray34 {
+ public:
+  ValueArray34(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33), v34_(v34) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray34& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35>
+class ValueArray35 {
+ public:
+  ValueArray35(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
+      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
+      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
+      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
+      v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31),
+      v32_(v32), v33_(v33), v34_(v34), v35_(v35) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray35& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36>
+class ValueArray36 {
+ public:
+  ValueArray36(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
+      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
+      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
+      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
+      v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30),
+      v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray36& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37>
+class ValueArray37 {
+ public:
+  ValueArray37(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
+      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
+      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
+      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
+      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29),
+      v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35),
+      v36_(v36), v37_(v37) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray37& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38>
+class ValueArray38 {
+ public:
+  ValueArray38(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
+      v35_(v35), v36_(v36), v37_(v37), v38_(v38) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray38& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39>
+class ValueArray39 {
+ public:
+  ValueArray39(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
+      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray39& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40>
+class ValueArray40 {
+ public:
+  ValueArray40(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
+      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
+      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
+      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
+      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33),
+      v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39),
+      v40_(v40) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray40& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41>
+class ValueArray41 {
+ public:
+  ValueArray41(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40,
+      T41 v41) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
+      v39_(v39), v40_(v40), v41_(v41) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray41& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42>
+class ValueArray42 {
+ public:
+  ValueArray42(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
+      v39_(v39), v40_(v40), v41_(v41), v42_(v42) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray42& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43>
+class ValueArray43 {
+ public:
+  ValueArray43(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
+      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
+      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
+      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
+      v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31),
+      v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37),
+      v38_(v38), v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray43& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44>
+class ValueArray44 {
+ public:
+  ValueArray44(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
+      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
+      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
+      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
+      v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30),
+      v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36),
+      v37_(v37), v38_(v38), v39_(v39), v40_(v40), v41_(v41), v42_(v42),
+      v43_(v43), v44_(v44) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray44& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45>
+class ValueArray45 {
+ public:
+  ValueArray45(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
+      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
+      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
+      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
+      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29),
+      v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35),
+      v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40), v41_(v41),
+      v42_(v42), v43_(v43), v44_(v44), v45_(v45) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray45& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46>
+class ValueArray46 {
+ public:
+  ValueArray46(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46) : v1_(v1), v2_(v2), v3_(v3),
+      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
+      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40),
+      v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45), v46_(v46) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_), static_cast<T>(v46_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray46& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+  const T46 v46_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47>
+class ValueArray47 {
+ public:
+  ValueArray47(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47) : v1_(v1), v2_(v2),
+      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
+      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
+      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
+      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
+      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
+      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40),
+      v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45), v46_(v46),
+      v47_(v47) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray47& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+  const T46 v46_;
+  const T47 v47_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48>
+class ValueArray48 {
+ public:
+  ValueArray48(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48) : v1_(v1),
+      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
+      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
+      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
+      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
+      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33),
+      v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39),
+      v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45),
+      v46_(v46), v47_(v47), v48_(v48) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
+        static_cast<T>(v48_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray48& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+  const T46 v46_;
+  const T47 v47_;
+  const T48 v48_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49>
+class ValueArray49 {
+ public:
+  ValueArray49(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48,
+      T49 v49) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
+      v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44),
+      v45_(v45), v46_(v46), v47_(v47), v48_(v48), v49_(v49) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
+        static_cast<T>(v48_), static_cast<T>(v49_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray49& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+  const T46 v46_;
+  const T47 v47_;
+  const T48 v48_;
+  const T49 v49_;
+};
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49, typename T50>
+class ValueArray50 {
+ public:
+  ValueArray50(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48, T49 v49,
+      T50 v50) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
+      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
+      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
+      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
+      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
+      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
+      v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44),
+      v45_(v45), v46_(v46), v47_(v47), v48_(v48), v49_(v49), v50_(v50) {}
+
+  template <typename T>
+  operator ParamGenerator<T>() const {
+    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
+        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
+        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
+        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
+        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
+        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
+        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
+        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
+        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
+        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
+        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
+        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
+        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
+        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
+        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
+        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
+        static_cast<T>(v48_), static_cast<T>(v49_), static_cast<T>(v50_)};
+    return ValuesIn(array);
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const ValueArray50& other);
+
+  const T1 v1_;
+  const T2 v2_;
+  const T3 v3_;
+  const T4 v4_;
+  const T5 v5_;
+  const T6 v6_;
+  const T7 v7_;
+  const T8 v8_;
+  const T9 v9_;
+  const T10 v10_;
+  const T11 v11_;
+  const T12 v12_;
+  const T13 v13_;
+  const T14 v14_;
+  const T15 v15_;
+  const T16 v16_;
+  const T17 v17_;
+  const T18 v18_;
+  const T19 v19_;
+  const T20 v20_;
+  const T21 v21_;
+  const T22 v22_;
+  const T23 v23_;
+  const T24 v24_;
+  const T25 v25_;
+  const T26 v26_;
+  const T27 v27_;
+  const T28 v28_;
+  const T29 v29_;
+  const T30 v30_;
+  const T31 v31_;
+  const T32 v32_;
+  const T33 v33_;
+  const T34 v34_;
+  const T35 v35_;
+  const T36 v36_;
+  const T37 v37_;
+  const T38 v38_;
+  const T39 v39_;
+  const T40 v40_;
+  const T41 v41_;
+  const T42 v42_;
+  const T43 v43_;
+  const T44 v44_;
+  const T45 v45_;
+  const T46 v46_;
+  const T47 v47_;
+  const T48 v48_;
+  const T49 v49_;
+  const T50 v50_;
+};
+
+# if GTEST_HAS_COMBINE
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Generates values from the Cartesian product of values produced
+// by the argument generators.
+//
+template <typename T1, typename T2>
+class CartesianProductGenerator2
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2> ParamType;
+
+  CartesianProductGenerator2(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2)
+      : g1_(g1), g2_(g2) {}
+  virtual ~CartesianProductGenerator2() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current2_;
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator2::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator2& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+};  // class CartesianProductGenerator2
+
+
+template <typename T1, typename T2, typename T3>
+class CartesianProductGenerator3
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3> ParamType;
+
+  CartesianProductGenerator3(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3)
+      : g1_(g1), g2_(g2), g3_(g3) {}
+  virtual ~CartesianProductGenerator3() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current3_;
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator3::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator3& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+};  // class CartesianProductGenerator3
+
+
+template <typename T1, typename T2, typename T3, typename T4>
+class CartesianProductGenerator4
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4> ParamType;
+
+  CartesianProductGenerator4(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4) {}
+  virtual ~CartesianProductGenerator4() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current4_;
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator4::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator4& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+};  // class CartesianProductGenerator4
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+class CartesianProductGenerator5
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5> ParamType;
+
+  CartesianProductGenerator5(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5) {}
+  virtual ~CartesianProductGenerator5() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current5_;
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator5::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator5& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+};  // class CartesianProductGenerator5
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6>
+class CartesianProductGenerator6
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5,
+        T6> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> ParamType;
+
+  CartesianProductGenerator6(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
+      const ParamGenerator<T6>& g6)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6) {}
+  virtual ~CartesianProductGenerator6() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5,
+      const ParamGenerator<T6>& g6,
+      const typename ParamGenerator<T6>::iterator& current6)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
+          begin6_(g6.begin()), end6_(g6.end()), current6_(current6)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current6_;
+      if (current6_ == end6_) {
+        current6_ = begin6_;
+        ++current5_;
+      }
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_ &&
+          current6_ == typed_other->current6_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_),
+        begin6_(other.begin6_),
+        end6_(other.end6_),
+        current6_(other.current6_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_, *current6_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_ ||
+          current6_ == end6_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    const typename ParamGenerator<T6>::iterator begin6_;
+    const typename ParamGenerator<T6>::iterator end6_;
+    typename ParamGenerator<T6>::iterator current6_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator6::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator6& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+  const ParamGenerator<T6> g6_;
+};  // class CartesianProductGenerator6
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7>
+class CartesianProductGenerator7
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
+        T7> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7> ParamType;
+
+  CartesianProductGenerator7(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
+      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7) {}
+  virtual ~CartesianProductGenerator7() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
+        g7_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5,
+      const ParamGenerator<T6>& g6,
+      const typename ParamGenerator<T6>::iterator& current6,
+      const ParamGenerator<T7>& g7,
+      const typename ParamGenerator<T7>::iterator& current7)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
+          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
+          begin7_(g7.begin()), end7_(g7.end()), current7_(current7)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current7_;
+      if (current7_ == end7_) {
+        current7_ = begin7_;
+        ++current6_;
+      }
+      if (current6_ == end6_) {
+        current6_ = begin6_;
+        ++current5_;
+      }
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_ &&
+          current6_ == typed_other->current6_ &&
+          current7_ == typed_other->current7_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_),
+        begin6_(other.begin6_),
+        end6_(other.end6_),
+        current6_(other.current6_),
+        begin7_(other.begin7_),
+        end7_(other.end7_),
+        current7_(other.current7_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_, *current6_, *current7_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_ ||
+          current6_ == end6_ ||
+          current7_ == end7_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    const typename ParamGenerator<T6>::iterator begin6_;
+    const typename ParamGenerator<T6>::iterator end6_;
+    typename ParamGenerator<T6>::iterator current6_;
+    const typename ParamGenerator<T7>::iterator begin7_;
+    const typename ParamGenerator<T7>::iterator end7_;
+    typename ParamGenerator<T7>::iterator current7_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator7::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator7& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+  const ParamGenerator<T6> g6_;
+  const ParamGenerator<T7> g7_;
+};  // class CartesianProductGenerator7
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8>
+class CartesianProductGenerator8
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
+        T7, T8> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8> ParamType;
+
+  CartesianProductGenerator8(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
+      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
+      const ParamGenerator<T8>& g8)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7),
+          g8_(g8) {}
+  virtual ~CartesianProductGenerator8() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
+        g7_.begin(), g8_, g8_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
+        g8_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5,
+      const ParamGenerator<T6>& g6,
+      const typename ParamGenerator<T6>::iterator& current6,
+      const ParamGenerator<T7>& g7,
+      const typename ParamGenerator<T7>::iterator& current7,
+      const ParamGenerator<T8>& g8,
+      const typename ParamGenerator<T8>::iterator& current8)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
+          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
+          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
+          begin8_(g8.begin()), end8_(g8.end()), current8_(current8)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current8_;
+      if (current8_ == end8_) {
+        current8_ = begin8_;
+        ++current7_;
+      }
+      if (current7_ == end7_) {
+        current7_ = begin7_;
+        ++current6_;
+      }
+      if (current6_ == end6_) {
+        current6_ = begin6_;
+        ++current5_;
+      }
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_ &&
+          current6_ == typed_other->current6_ &&
+          current7_ == typed_other->current7_ &&
+          current8_ == typed_other->current8_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_),
+        begin6_(other.begin6_),
+        end6_(other.end6_),
+        current6_(other.current6_),
+        begin7_(other.begin7_),
+        end7_(other.end7_),
+        current7_(other.current7_),
+        begin8_(other.begin8_),
+        end8_(other.end8_),
+        current8_(other.current8_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_, *current6_, *current7_, *current8_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_ ||
+          current6_ == end6_ ||
+          current7_ == end7_ ||
+          current8_ == end8_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    const typename ParamGenerator<T6>::iterator begin6_;
+    const typename ParamGenerator<T6>::iterator end6_;
+    typename ParamGenerator<T6>::iterator current6_;
+    const typename ParamGenerator<T7>::iterator begin7_;
+    const typename ParamGenerator<T7>::iterator end7_;
+    typename ParamGenerator<T7>::iterator current7_;
+    const typename ParamGenerator<T8>::iterator begin8_;
+    const typename ParamGenerator<T8>::iterator end8_;
+    typename ParamGenerator<T8>::iterator current8_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator8::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator8& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+  const ParamGenerator<T6> g6_;
+  const ParamGenerator<T7> g7_;
+  const ParamGenerator<T8> g8_;
+};  // class CartesianProductGenerator8
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9>
+class CartesianProductGenerator9
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
+        T7, T8, T9> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9> ParamType;
+
+  CartesianProductGenerator9(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
+      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
+      const ParamGenerator<T8>& g8, const ParamGenerator<T9>& g9)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
+          g9_(g9) {}
+  virtual ~CartesianProductGenerator9() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
+        g7_.begin(), g8_, g8_.begin(), g9_, g9_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
+        g8_.end(), g9_, g9_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5,
+      const ParamGenerator<T6>& g6,
+      const typename ParamGenerator<T6>::iterator& current6,
+      const ParamGenerator<T7>& g7,
+      const typename ParamGenerator<T7>::iterator& current7,
+      const ParamGenerator<T8>& g8,
+      const typename ParamGenerator<T8>::iterator& current8,
+      const ParamGenerator<T9>& g9,
+      const typename ParamGenerator<T9>::iterator& current9)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
+          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
+          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
+          begin8_(g8.begin()), end8_(g8.end()), current8_(current8),
+          begin9_(g9.begin()), end9_(g9.end()), current9_(current9)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current9_;
+      if (current9_ == end9_) {
+        current9_ = begin9_;
+        ++current8_;
+      }
+      if (current8_ == end8_) {
+        current8_ = begin8_;
+        ++current7_;
+      }
+      if (current7_ == end7_) {
+        current7_ = begin7_;
+        ++current6_;
+      }
+      if (current6_ == end6_) {
+        current6_ = begin6_;
+        ++current5_;
+      }
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_ &&
+          current6_ == typed_other->current6_ &&
+          current7_ == typed_other->current7_ &&
+          current8_ == typed_other->current8_ &&
+          current9_ == typed_other->current9_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_),
+        begin6_(other.begin6_),
+        end6_(other.end6_),
+        current6_(other.current6_),
+        begin7_(other.begin7_),
+        end7_(other.end7_),
+        current7_(other.current7_),
+        begin8_(other.begin8_),
+        end8_(other.end8_),
+        current8_(other.current8_),
+        begin9_(other.begin9_),
+        end9_(other.end9_),
+        current9_(other.current9_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_, *current6_, *current7_, *current8_,
+            *current9_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_ ||
+          current6_ == end6_ ||
+          current7_ == end7_ ||
+          current8_ == end8_ ||
+          current9_ == end9_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    const typename ParamGenerator<T6>::iterator begin6_;
+    const typename ParamGenerator<T6>::iterator end6_;
+    typename ParamGenerator<T6>::iterator current6_;
+    const typename ParamGenerator<T7>::iterator begin7_;
+    const typename ParamGenerator<T7>::iterator end7_;
+    typename ParamGenerator<T7>::iterator current7_;
+    const typename ParamGenerator<T8>::iterator begin8_;
+    const typename ParamGenerator<T8>::iterator end8_;
+    typename ParamGenerator<T8>::iterator current8_;
+    const typename ParamGenerator<T9>::iterator begin9_;
+    const typename ParamGenerator<T9>::iterator end9_;
+    typename ParamGenerator<T9>::iterator current9_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator9::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator9& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+  const ParamGenerator<T6> g6_;
+  const ParamGenerator<T7> g7_;
+  const ParamGenerator<T8> g8_;
+  const ParamGenerator<T9> g9_;
+};  // class CartesianProductGenerator9
+
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10>
+class CartesianProductGenerator10
+    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
+        T7, T8, T9, T10> > {
+ public:
+  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> ParamType;
+
+  CartesianProductGenerator10(const ParamGenerator<T1>& g1,
+      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
+      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
+      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
+      const ParamGenerator<T8>& g8, const ParamGenerator<T9>& g9,
+      const ParamGenerator<T10>& g10)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
+          g9_(g9), g10_(g10) {}
+  virtual ~CartesianProductGenerator10() {}
+
+  virtual ParamIteratorInterface<ParamType>* Begin() const {
+    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
+        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
+        g7_.begin(), g8_, g8_.begin(), g9_, g9_.begin(), g10_, g10_.begin());
+  }
+  virtual ParamIteratorInterface<ParamType>* End() const {
+    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
+        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
+        g8_.end(), g9_, g9_.end(), g10_, g10_.end());
+  }
+
+ private:
+  class Iterator : public ParamIteratorInterface<ParamType> {
+   public:
+    Iterator(const ParamGeneratorInterface<ParamType>* base,
+      const ParamGenerator<T1>& g1,
+      const typename ParamGenerator<T1>::iterator& current1,
+      const ParamGenerator<T2>& g2,
+      const typename ParamGenerator<T2>::iterator& current2,
+      const ParamGenerator<T3>& g3,
+      const typename ParamGenerator<T3>::iterator& current3,
+      const ParamGenerator<T4>& g4,
+      const typename ParamGenerator<T4>::iterator& current4,
+      const ParamGenerator<T5>& g5,
+      const typename ParamGenerator<T5>::iterator& current5,
+      const ParamGenerator<T6>& g6,
+      const typename ParamGenerator<T6>::iterator& current6,
+      const ParamGenerator<T7>& g7,
+      const typename ParamGenerator<T7>::iterator& current7,
+      const ParamGenerator<T8>& g8,
+      const typename ParamGenerator<T8>::iterator& current8,
+      const ParamGenerator<T9>& g9,
+      const typename ParamGenerator<T9>::iterator& current9,
+      const ParamGenerator<T10>& g10,
+      const typename ParamGenerator<T10>::iterator& current10)
+        : base_(base),
+          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
+          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
+          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
+          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
+          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
+          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
+          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
+          begin8_(g8.begin()), end8_(g8.end()), current8_(current8),
+          begin9_(g9.begin()), end9_(g9.end()), current9_(current9),
+          begin10_(g10.begin()), end10_(g10.end()), current10_(current10)    {
+      ComputeCurrentValue();
+    }
+    virtual ~Iterator() {}
+
+    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
+      return base_;
+    }
+    // Advance should not be called on beyond-of-range iterators
+    // so no component iterators must be beyond end of range, either.
+    virtual void Advance() {
+      assert(!AtEnd());
+      ++current10_;
+      if (current10_ == end10_) {
+        current10_ = begin10_;
+        ++current9_;
+      }
+      if (current9_ == end9_) {
+        current9_ = begin9_;
+        ++current8_;
+      }
+      if (current8_ == end8_) {
+        current8_ = begin8_;
+        ++current7_;
+      }
+      if (current7_ == end7_) {
+        current7_ = begin7_;
+        ++current6_;
+      }
+      if (current6_ == end6_) {
+        current6_ = begin6_;
+        ++current5_;
+      }
+      if (current5_ == end5_) {
+        current5_ = begin5_;
+        ++current4_;
+      }
+      if (current4_ == end4_) {
+        current4_ = begin4_;
+        ++current3_;
+      }
+      if (current3_ == end3_) {
+        current3_ = begin3_;
+        ++current2_;
+      }
+      if (current2_ == end2_) {
+        current2_ = begin2_;
+        ++current1_;
+      }
+      ComputeCurrentValue();
+    }
+    virtual ParamIteratorInterface<ParamType>* Clone() const {
+      return new Iterator(*this);
+    }
+    virtual const ParamType* Current() const { return &current_value_; }
+    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
+      // Having the same base generator guarantees that the other
+      // iterator is of the same type and we can downcast.
+      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
+          << "The program attempted to compare iterators "
+          << "from different generators." << std::endl;
+      const Iterator* typed_other =
+          CheckedDowncastToActualType<const Iterator>(&other);
+      // We must report iterators equal if they both point beyond their
+      // respective ranges. That can happen in a variety of fashions,
+      // so we have to consult AtEnd().
+      return (AtEnd() && typed_other->AtEnd()) ||
+         (
+          current1_ == typed_other->current1_ &&
+          current2_ == typed_other->current2_ &&
+          current3_ == typed_other->current3_ &&
+          current4_ == typed_other->current4_ &&
+          current5_ == typed_other->current5_ &&
+          current6_ == typed_other->current6_ &&
+          current7_ == typed_other->current7_ &&
+          current8_ == typed_other->current8_ &&
+          current9_ == typed_other->current9_ &&
+          current10_ == typed_other->current10_);
+    }
+
+   private:
+    Iterator(const Iterator& other)
+        : base_(other.base_),
+        begin1_(other.begin1_),
+        end1_(other.end1_),
+        current1_(other.current1_),
+        begin2_(other.begin2_),
+        end2_(other.end2_),
+        current2_(other.current2_),
+        begin3_(other.begin3_),
+        end3_(other.end3_),
+        current3_(other.current3_),
+        begin4_(other.begin4_),
+        end4_(other.end4_),
+        current4_(other.current4_),
+        begin5_(other.begin5_),
+        end5_(other.end5_),
+        current5_(other.current5_),
+        begin6_(other.begin6_),
+        end6_(other.end6_),
+        current6_(other.current6_),
+        begin7_(other.begin7_),
+        end7_(other.end7_),
+        current7_(other.current7_),
+        begin8_(other.begin8_),
+        end8_(other.end8_),
+        current8_(other.current8_),
+        begin9_(other.begin9_),
+        end9_(other.end9_),
+        current9_(other.current9_),
+        begin10_(other.begin10_),
+        end10_(other.end10_),
+        current10_(other.current10_) {
+      ComputeCurrentValue();
+    }
+
+    void ComputeCurrentValue() {
+      if (!AtEnd())
+        current_value_ = ParamType(*current1_, *current2_, *current3_,
+            *current4_, *current5_, *current6_, *current7_, *current8_,
+            *current9_, *current10_);
+    }
+    bool AtEnd() const {
+      // We must report iterator past the end of the range when either of the
+      // component iterators has reached the end of its range.
+      return
+          current1_ == end1_ ||
+          current2_ == end2_ ||
+          current3_ == end3_ ||
+          current4_ == end4_ ||
+          current5_ == end5_ ||
+          current6_ == end6_ ||
+          current7_ == end7_ ||
+          current8_ == end8_ ||
+          current9_ == end9_ ||
+          current10_ == end10_;
+    }
+
+    // No implementation - assignment is unsupported.
+    void operator=(const Iterator& other);
+
+    const ParamGeneratorInterface<ParamType>* const base_;
+    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
+    // current[i]_ is the actual traversing iterator.
+    const typename ParamGenerator<T1>::iterator begin1_;
+    const typename ParamGenerator<T1>::iterator end1_;
+    typename ParamGenerator<T1>::iterator current1_;
+    const typename ParamGenerator<T2>::iterator begin2_;
+    const typename ParamGenerator<T2>::iterator end2_;
+    typename ParamGenerator<T2>::iterator current2_;
+    const typename ParamGenerator<T3>::iterator begin3_;
+    const typename ParamGenerator<T3>::iterator end3_;
+    typename ParamGenerator<T3>::iterator current3_;
+    const typename ParamGenerator<T4>::iterator begin4_;
+    const typename ParamGenerator<T4>::iterator end4_;
+    typename ParamGenerator<T4>::iterator current4_;
+    const typename ParamGenerator<T5>::iterator begin5_;
+    const typename ParamGenerator<T5>::iterator end5_;
+    typename ParamGenerator<T5>::iterator current5_;
+    const typename ParamGenerator<T6>::iterator begin6_;
+    const typename ParamGenerator<T6>::iterator end6_;
+    typename ParamGenerator<T6>::iterator current6_;
+    const typename ParamGenerator<T7>::iterator begin7_;
+    const typename ParamGenerator<T7>::iterator end7_;
+    typename ParamGenerator<T7>::iterator current7_;
+    const typename ParamGenerator<T8>::iterator begin8_;
+    const typename ParamGenerator<T8>::iterator end8_;
+    typename ParamGenerator<T8>::iterator current8_;
+    const typename ParamGenerator<T9>::iterator begin9_;
+    const typename ParamGenerator<T9>::iterator end9_;
+    typename ParamGenerator<T9>::iterator current9_;
+    const typename ParamGenerator<T10>::iterator begin10_;
+    const typename ParamGenerator<T10>::iterator end10_;
+    typename ParamGenerator<T10>::iterator current10_;
+    ParamType current_value_;
+  };  // class CartesianProductGenerator10::Iterator
+
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductGenerator10& other);
+
+  const ParamGenerator<T1> g1_;
+  const ParamGenerator<T2> g2_;
+  const ParamGenerator<T3> g3_;
+  const ParamGenerator<T4> g4_;
+  const ParamGenerator<T5> g5_;
+  const ParamGenerator<T6> g6_;
+  const ParamGenerator<T7> g7_;
+  const ParamGenerator<T8> g8_;
+  const ParamGenerator<T9> g9_;
+  const ParamGenerator<T10> g10_;
+};  // class CartesianProductGenerator10
+
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Helper classes providing Combine() with polymorphic features. They allow
+// casting CartesianProductGeneratorN<T> to ParamGenerator<U> if T is
+// convertible to U.
+//
+template <class Generator1, class Generator2>
+class CartesianProductHolder2 {
+ public:
+CartesianProductHolder2(const Generator1& g1, const Generator2& g2)
+      : g1_(g1), g2_(g2) {}
+  template <typename T1, typename T2>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2> >(
+        new CartesianProductGenerator2<T1, T2>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder2& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+};  // class CartesianProductHolder2
+
+template <class Generator1, class Generator2, class Generator3>
+class CartesianProductHolder3 {
+ public:
+CartesianProductHolder3(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3)
+      : g1_(g1), g2_(g2), g3_(g3) {}
+  template <typename T1, typename T2, typename T3>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3> >(
+        new CartesianProductGenerator3<T1, T2, T3>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder3& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+};  // class CartesianProductHolder3
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4>
+class CartesianProductHolder4 {
+ public:
+CartesianProductHolder4(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4) {}
+  template <typename T1, typename T2, typename T3, typename T4>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4> >(
+        new CartesianProductGenerator4<T1, T2, T3, T4>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder4& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+};  // class CartesianProductHolder4
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5>
+class CartesianProductHolder5 {
+ public:
+CartesianProductHolder5(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5> >(
+        new CartesianProductGenerator5<T1, T2, T3, T4, T5>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder5& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+};  // class CartesianProductHolder5
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5, class Generator6>
+class CartesianProductHolder6 {
+ public:
+CartesianProductHolder6(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5,
+    const Generator6& g6)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5,
+      typename T6>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> >(
+        new CartesianProductGenerator6<T1, T2, T3, T4, T5, T6>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_),
+        static_cast<ParamGenerator<T6> >(g6_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder6& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+  const Generator6 g6_;
+};  // class CartesianProductHolder6
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5, class Generator6, class Generator7>
+class CartesianProductHolder7 {
+ public:
+CartesianProductHolder7(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5,
+    const Generator6& g6, const Generator7& g7)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5,
+      typename T6, typename T7>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
+      T7> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7> >(
+        new CartesianProductGenerator7<T1, T2, T3, T4, T5, T6, T7>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_),
+        static_cast<ParamGenerator<T6> >(g6_),
+        static_cast<ParamGenerator<T7> >(g7_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder7& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+  const Generator6 g6_;
+  const Generator7 g7_;
+};  // class CartesianProductHolder7
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5, class Generator6, class Generator7,
+    class Generator8>
+class CartesianProductHolder8 {
+ public:
+CartesianProductHolder8(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5,
+    const Generator6& g6, const Generator7& g7, const Generator8& g8)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7),
+          g8_(g8) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5,
+      typename T6, typename T7, typename T8>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7,
+      T8> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8> >(
+        new CartesianProductGenerator8<T1, T2, T3, T4, T5, T6, T7, T8>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_),
+        static_cast<ParamGenerator<T6> >(g6_),
+        static_cast<ParamGenerator<T7> >(g7_),
+        static_cast<ParamGenerator<T8> >(g8_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder8& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+  const Generator6 g6_;
+  const Generator7 g7_;
+  const Generator8 g8_;
+};  // class CartesianProductHolder8
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5, class Generator6, class Generator7,
+    class Generator8, class Generator9>
+class CartesianProductHolder9 {
+ public:
+CartesianProductHolder9(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5,
+    const Generator6& g6, const Generator7& g7, const Generator8& g8,
+    const Generator9& g9)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
+          g9_(g9) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5,
+      typename T6, typename T7, typename T8, typename T9>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
+      T9> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
+        T9> >(
+        new CartesianProductGenerator9<T1, T2, T3, T4, T5, T6, T7, T8, T9>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_),
+        static_cast<ParamGenerator<T6> >(g6_),
+        static_cast<ParamGenerator<T7> >(g7_),
+        static_cast<ParamGenerator<T8> >(g8_),
+        static_cast<ParamGenerator<T9> >(g9_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder9& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+  const Generator6 g6_;
+  const Generator7 g7_;
+  const Generator8 g8_;
+  const Generator9 g9_;
+};  // class CartesianProductHolder9
+
+template <class Generator1, class Generator2, class Generator3,
+    class Generator4, class Generator5, class Generator6, class Generator7,
+    class Generator8, class Generator9, class Generator10>
+class CartesianProductHolder10 {
+ public:
+CartesianProductHolder10(const Generator1& g1, const Generator2& g2,
+    const Generator3& g3, const Generator4& g4, const Generator5& g5,
+    const Generator6& g6, const Generator7& g7, const Generator8& g8,
+    const Generator9& g9, const Generator10& g10)
+      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
+          g9_(g9), g10_(g10) {}
+  template <typename T1, typename T2, typename T3, typename T4, typename T5,
+      typename T6, typename T7, typename T8, typename T9, typename T10>
+  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
+      T9, T10> >() const {
+    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
+        T9, T10> >(
+        new CartesianProductGenerator10<T1, T2, T3, T4, T5, T6, T7, T8, T9,
+            T10>(
+        static_cast<ParamGenerator<T1> >(g1_),
+        static_cast<ParamGenerator<T2> >(g2_),
+        static_cast<ParamGenerator<T3> >(g3_),
+        static_cast<ParamGenerator<T4> >(g4_),
+        static_cast<ParamGenerator<T5> >(g5_),
+        static_cast<ParamGenerator<T6> >(g6_),
+        static_cast<ParamGenerator<T7> >(g7_),
+        static_cast<ParamGenerator<T8> >(g8_),
+        static_cast<ParamGenerator<T9> >(g9_),
+        static_cast<ParamGenerator<T10> >(g10_)));
+  }
+
+ private:
+  // No implementation - assignment is unsupported.
+  void operator=(const CartesianProductHolder10& other);
+
+  const Generator1 g1_;
+  const Generator2 g2_;
+  const Generator3 g3_;
+  const Generator4 g4_;
+  const Generator5 g5_;
+  const Generator6 g6_;
+  const Generator7 g7_;
+  const Generator8 g8_;
+  const Generator9 g9_;
+  const Generator10 g10_;
+};  // class CartesianProductHolder10
+
+# endif  // GTEST_HAS_COMBINE
+
+}  // namespace internal
+}  // namespace testing
+
+#endif  //  GTEST_HAS_PARAM_TEST
+
+#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
+
+#if GTEST_HAS_PARAM_TEST
+
+namespace testing {
+
+// Functions producing parameter generators.
+//
+// Google Test uses these generators to produce parameters for value-
+// parameterized tests. When a parameterized test case is instantiated
+// with a particular generator, Google Test creates and runs tests
+// for each element in the sequence produced by the generator.
+//
+// In the following sample, tests from test case FooTest are instantiated
+// each three times with parameter values 3, 5, and 8:
+//
+// class FooTest : public TestWithParam<int> { ... };
+//
+// TEST_P(FooTest, TestThis) {
+// }
+// TEST_P(FooTest, TestThat) {
+// }
+// INSTANTIATE_TEST_CASE_P(TestSequence, FooTest, Values(3, 5, 8));
+//
+
+// Range() returns generators providing sequences of values in a range.
+//
+// Synopsis:
+// Range(start, end)
+//   - returns a generator producing a sequence of values {start, start+1,
+//     start+2, ..., }.
+// Range(start, end, step)
+//   - returns a generator producing a sequence of values {start, start+step,
+//     start+step+step, ..., }.
+// Notes:
+//   * The generated sequences never include end. For example, Range(1, 5)
+//     returns a generator producing a sequence {1, 2, 3, 4}. Range(1, 9, 2)
+//     returns a generator producing {1, 3, 5, 7}.
+//   * start and end must have the same type. That type may be any integral or
+//     floating-point type or a user defined type satisfying these conditions:
+//     * It must be assignable (have operator=() defined).
+//     * It must have operator+() (operator+(int-compatible type) for
+//       two-operand version).
+//     * It must have operator<() defined.
+//     Elements in the resulting sequences will also have that type.
+//   * Condition start < end must be satisfied in order for resulting sequences
+//     to contain any elements.
+//
+template <typename T, typename IncrementT>
+internal::ParamGenerator<T> Range(T start, T end, IncrementT step) {
+  return internal::ParamGenerator<T>(
+      new internal::RangeGenerator<T, IncrementT>(start, end, step));
+}
+
+template <typename T>
+internal::ParamGenerator<T> Range(T start, T end) {
+  return Range(start, end, 1);
+}
+
+// ValuesIn() function allows generation of tests with parameters coming from
+// a container.
+//
+// Synopsis:
+// ValuesIn(const T (&array)[N])
+//   - returns a generator producing sequences with elements from
+//     a C-style array.
+// ValuesIn(const Container& container)
+//   - returns a generator producing sequences with elements from
+//     an STL-style container.
+// ValuesIn(Iterator begin, Iterator end)
+//   - returns a generator producing sequences with elements from
+//     a range [begin, end) defined by a pair of STL-style iterators. These
+//     iterators can also be plain C pointers.
+//
+// Please note that ValuesIn copies the values from the containers
+// passed in and keeps them to generate tests in RUN_ALL_TESTS().
+//
+// Examples:
+//
+// This instantiates tests from test case StringTest
+// each with C-string values of "foo", "bar", and "baz":
+//
+// const char* strings[] = {"foo", "bar", "baz"};
+// INSTANTIATE_TEST_CASE_P(StringSequence, SrtingTest, ValuesIn(strings));
+//
+// This instantiates tests from test case StlStringTest
+// each with STL strings with values "a" and "b":
+//
+// ::std::vector< ::std::string> GetParameterStrings() {
+//   ::std::vector< ::std::string> v;
+//   v.push_back("a");
+//   v.push_back("b");
+//   return v;
+// }
+//
+// INSTANTIATE_TEST_CASE_P(CharSequence,
+//                         StlStringTest,
+//                         ValuesIn(GetParameterStrings()));
+//
+//
+// This will also instantiate tests from CharTest
+// each with parameter values 'a' and 'b':
+//
+// ::std::list<char> GetParameterChars() {
+//   ::std::list<char> list;
+//   list.push_back('a');
+//   list.push_back('b');
+//   return list;
+// }
+// ::std::list<char> l = GetParameterChars();
+// INSTANTIATE_TEST_CASE_P(CharSequence2,
+//                         CharTest,
+//                         ValuesIn(l.begin(), l.end()));
+//
+template <typename ForwardIterator>
+internal::ParamGenerator<
+  typename ::testing::internal::IteratorTraits<ForwardIterator>::value_type>
+ValuesIn(ForwardIterator begin, ForwardIterator end) {
+  typedef typename ::testing::internal::IteratorTraits<ForwardIterator>
+      ::value_type ParamType;
+  return internal::ParamGenerator<ParamType>(
+      new internal::ValuesInIteratorRangeGenerator<ParamType>(begin, end));
+}
+
+template <typename T, size_t N>
+internal::ParamGenerator<T> ValuesIn(const T (&array)[N]) {
+  return ValuesIn(array, array + N);
+}
+
+template <class Container>
+internal::ParamGenerator<typename Container::value_type> ValuesIn(
+    const Container& container) {
+  return ValuesIn(container.begin(), container.end());
+}
+
+// Values() allows generating tests from explicitly specified list of
+// parameters.
+//
+// Synopsis:
+// Values(T v1, T v2, ..., T vN)
+//   - returns a generator producing sequences with elements v1, v2, ..., vN.
+//
+// For example, this instantiates tests from test case BarTest each
+// with values "one", "two", and "three":
+//
+// INSTANTIATE_TEST_CASE_P(NumSequence, BarTest, Values("one", "two", "three"));
+//
+// This instantiates tests from test case BazTest each with values 1, 2, 3.5.
+// The exact type of values will depend on the type of parameter in BazTest.
+//
+// INSTANTIATE_TEST_CASE_P(FloatingNumbers, BazTest, Values(1, 2, 3.5));
+//
+// Currently, Values() supports from 1 to 50 parameters.
+//
+template <typename T1>
+internal::ValueArray1<T1> Values(T1 v1) {
+  return internal::ValueArray1<T1>(v1);
+}
+
+template <typename T1, typename T2>
+internal::ValueArray2<T1, T2> Values(T1 v1, T2 v2) {
+  return internal::ValueArray2<T1, T2>(v1, v2);
+}
+
+template <typename T1, typename T2, typename T3>
+internal::ValueArray3<T1, T2, T3> Values(T1 v1, T2 v2, T3 v3) {
+  return internal::ValueArray3<T1, T2, T3>(v1, v2, v3);
+}
+
+template <typename T1, typename T2, typename T3, typename T4>
+internal::ValueArray4<T1, T2, T3, T4> Values(T1 v1, T2 v2, T3 v3, T4 v4) {
+  return internal::ValueArray4<T1, T2, T3, T4>(v1, v2, v3, v4);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5>
+internal::ValueArray5<T1, T2, T3, T4, T5> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5) {
+  return internal::ValueArray5<T1, T2, T3, T4, T5>(v1, v2, v3, v4, v5);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6>
+internal::ValueArray6<T1, T2, T3, T4, T5, T6> Values(T1 v1, T2 v2, T3 v3,
+    T4 v4, T5 v5, T6 v6) {
+  return internal::ValueArray6<T1, T2, T3, T4, T5, T6>(v1, v2, v3, v4, v5, v6);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7>
+internal::ValueArray7<T1, T2, T3, T4, T5, T6, T7> Values(T1 v1, T2 v2, T3 v3,
+    T4 v4, T5 v5, T6 v6, T7 v7) {
+  return internal::ValueArray7<T1, T2, T3, T4, T5, T6, T7>(v1, v2, v3, v4, v5,
+      v6, v7);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8>
+internal::ValueArray8<T1, T2, T3, T4, T5, T6, T7, T8> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8) {
+  return internal::ValueArray8<T1, T2, T3, T4, T5, T6, T7, T8>(v1, v2, v3, v4,
+      v5, v6, v7, v8);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9>
+internal::ValueArray9<T1, T2, T3, T4, T5, T6, T7, T8, T9> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9) {
+  return internal::ValueArray9<T1, T2, T3, T4, T5, T6, T7, T8, T9>(v1, v2, v3,
+      v4, v5, v6, v7, v8, v9);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10>
+internal::ValueArray10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> Values(T1 v1,
+    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10) {
+  return internal::ValueArray10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10>(v1,
+      v2, v3, v4, v5, v6, v7, v8, v9, v10);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11>
+internal::ValueArray11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10,
+    T11> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11) {
+  return internal::ValueArray11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10,
+      T11>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12>
+internal::ValueArray12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+    T12> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12) {
+  return internal::ValueArray12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13>
+internal::ValueArray13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
+    T13> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13) {
+  return internal::ValueArray13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14>
+internal::ValueArray14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14) {
+  return internal::ValueArray14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
+      v14);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15>
+internal::ValueArray15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
+    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15) {
+  return internal::ValueArray15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
+      v13, v14, v15);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16>
+internal::ValueArray16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16) {
+  return internal::ValueArray16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
+      v12, v13, v14, v15, v16);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17>
+internal::ValueArray17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17) {
+  return internal::ValueArray17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
+      v11, v12, v13, v14, v15, v16, v17);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18>
+internal::ValueArray18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
+    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18) {
+  return internal::ValueArray18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
+      v10, v11, v12, v13, v14, v15, v16, v17, v18);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19>
+internal::ValueArray19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
+    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
+    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19) {
+  return internal::ValueArray19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19>(v1, v2, v3, v4, v5, v6, v7, v8,
+      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20>
+internal::ValueArray20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
+    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20) {
+  return internal::ValueArray20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20>(v1, v2, v3, v4, v5, v6, v7,
+      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21>
+internal::ValueArray21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
+    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21) {
+  return internal::ValueArray21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21>(v1, v2, v3, v4, v5, v6,
+      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22>
+internal::ValueArray22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22> Values(T1 v1, T2 v2, T3 v3,
+    T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22) {
+  return internal::ValueArray22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22>(v1, v2, v3, v4,
+      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
+      v20, v21, v22);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23>
+internal::ValueArray23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22, T23 v23) {
+  return internal::ValueArray23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23>(v1, v2, v3,
+      v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
+      v20, v21, v22, v23);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24>
+internal::ValueArray24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22, T23 v23, T24 v24) {
+  return internal::ValueArray24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24>(v1, v2,
+      v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18,
+      v19, v20, v21, v22, v23, v24);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25>
+internal::ValueArray25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Values(T1 v1,
+    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11,
+    T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19,
+    T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25) {
+  return internal::ValueArray25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25>(v1,
+      v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17,
+      v18, v19, v20, v21, v22, v23, v24, v25);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26>
+internal::ValueArray26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+    T26> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26) {
+  return internal::ValueArray26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15,
+      v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27>
+internal::ValueArray27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
+    T27> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27) {
+  return internal::ValueArray27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14,
+      v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28>
+internal::ValueArray28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
+    T28> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28) {
+  return internal::ValueArray28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
+      v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27,
+      v28);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29>
+internal::ValueArray29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28, T29 v29) {
+  return internal::ValueArray29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
+      v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26,
+      v27, v28, v29);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30>
+internal::ValueArray30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
+    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
+    T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
+    T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30) {
+  return internal::ValueArray30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
+      v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25,
+      v26, v27, v28, v29, v30);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31>
+internal::ValueArray31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31) {
+  return internal::ValueArray31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
+      v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24,
+      v25, v26, v27, v28, v29, v30, v31);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32>
+internal::ValueArray32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
+    T32 v32) {
+  return internal::ValueArray32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
+      v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
+      v24, v25, v26, v27, v28, v29, v30, v31, v32);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33>
+internal::ValueArray33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
+    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
+    T32 v32, T33 v33) {
+  return internal::ValueArray33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33>(v1, v2, v3, v4, v5, v6, v7, v8,
+      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
+      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34>
+internal::ValueArray34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
+    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
+    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22,
+    T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30,
+    T31 v31, T32 v32, T33 v33, T34 v34) {
+  return internal::ValueArray34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34>(v1, v2, v3, v4, v5, v6, v7,
+      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22,
+      v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35>
+internal::ValueArray35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
+    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
+    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
+    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35) {
+  return internal::ValueArray35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35>(v1, v2, v3, v4, v5, v6,
+      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21,
+      v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36>
+internal::ValueArray36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
+    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
+    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
+    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36) {
+  return internal::ValueArray36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36>(v1, v2, v3, v4,
+      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
+      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
+      v34, v35, v36);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37>
+internal::ValueArray37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37> Values(T1 v1, T2 v2, T3 v3,
+    T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
+    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
+    T37 v37) {
+  return internal::ValueArray37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37>(v1, v2, v3,
+      v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
+      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
+      v34, v35, v36, v37);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38>
+internal::ValueArray38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
+    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
+    T37 v37, T38 v38) {
+  return internal::ValueArray38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38>(v1, v2,
+      v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18,
+      v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32,
+      v33, v34, v35, v36, v37, v38);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39>
+internal::ValueArray39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Values(T1 v1, T2 v2,
+    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
+    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
+    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
+    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
+    T37 v37, T38 v38, T39 v39) {
+  return internal::ValueArray39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39>(v1,
+      v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17,
+      v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31,
+      v32, v33, v34, v35, v36, v37, v38, v39);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40>
+internal::ValueArray40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Values(T1 v1,
+    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11,
+    T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19,
+    T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27,
+    T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35,
+    T36 v36, T37 v37, T38 v38, T39 v39, T40 v40) {
+  return internal::ValueArray40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15,
+      v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29,
+      v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41>
+internal::ValueArray41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
+    T41> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41) {
+  return internal::ValueArray41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14,
+      v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28,
+      v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42>
+internal::ValueArray42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
+    T42> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+    T42 v42) {
+  return internal::ValueArray42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
+      v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27,
+      v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41,
+      v42);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43>
+internal::ValueArray43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
+    T43> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+    T42 v42, T43 v43) {
+  return internal::ValueArray43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
+      v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26,
+      v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40,
+      v41, v42, v43);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44>
+internal::ValueArray44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
+    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
+    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
+    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
+    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
+    T42 v42, T43 v43, T44 v44) {
+  return internal::ValueArray44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
+      v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25,
+      v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39,
+      v40, v41, v42, v43, v44);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45>
+internal::ValueArray45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
+    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
+    T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
+    T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32,
+    T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40,
+    T41 v41, T42 v42, T43 v43, T44 v44, T45 v45) {
+  return internal::ValueArray45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
+      v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24,
+      v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38,
+      v39, v40, v41, v42, v43, v44, v45);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46>
+internal::ValueArray46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
+    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
+    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46) {
+  return internal::ValueArray46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45, T46>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
+      v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
+      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37,
+      v38, v39, v40, v41, v42, v43, v44, v45, v46);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47>
+internal::ValueArray47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46, T47> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
+    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
+    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
+    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47) {
+  return internal::ValueArray47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45, T46, T47>(v1, v2, v3, v4, v5, v6, v7, v8,
+      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
+      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37,
+      v38, v39, v40, v41, v42, v43, v44, v45, v46, v47);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48>
+internal::ValueArray48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46, T47, T48> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
+    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
+    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
+    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
+    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
+    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47,
+    T48 v48) {
+  return internal::ValueArray48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45, T46, T47, T48>(v1, v2, v3, v4, v5, v6, v7,
+      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22,
+      v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36,
+      v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49>
+internal::ValueArray49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46, T47, T48, T49> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
+    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
+    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22,
+    T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30,
+    T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38,
+    T39 v39, T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46,
+    T47 v47, T48 v48, T49 v49) {
+  return internal::ValueArray49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45, T46, T47, T48, T49>(v1, v2, v3, v4, v5, v6,
+      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21,
+      v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35,
+      v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49);
+}
+
+template <typename T1, typename T2, typename T3, typename T4, typename T5,
+    typename T6, typename T7, typename T8, typename T9, typename T10,
+    typename T11, typename T12, typename T13, typename T14, typename T15,
+    typename T16, typename T17, typename T18, typename T19, typename T20,
+    typename T21, typename T22, typename T23, typename T24, typename T25,
+    typename T26, typename T27, typename T28, typename T29, typename T30,
+    typename T31, typename T32, typename T33, typename T34, typename T35,
+    typename T36, typename T37, typename T38, typename T39, typename T40,
+    typename T41, typename T42, typename T43, typename T44, typename T45,
+    typename T46, typename T47, typename T48, typename T49, typename T50>
+internal::ValueArray50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
+    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
+    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
+    T44, T45, T46, T47, T48, T49, T50> Values(T1 v1, T2 v2, T3 v3, T4 v4,
+    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
+    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
+    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
+    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37,
+    T38 v38, T39 v39, T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45,
+    T46 v46, T47 v47, T48 v48, T49 v49, T50 v50) {
+  return internal::ValueArray50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
+      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
+      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
+      T40, T41, T42, T43, T44, T45, T46, T47, T48, T49, T50>(v1, v2, v3, v4,
+      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
+      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
+      v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47,
+      v48, v49, v50);
+}
+
+// Bool() allows generating tests with parameters in a set of (false, true).
+//
+// Synopsis:
+// Bool()
+//   - returns a generator producing sequences with elements {false, true}.
+//
+// It is useful when testing code that depends on Boolean flags. Combinations
+// of multiple flags can be tested when several Bool()'s are combined using
+// Combine() function.
+//
+// In the following example all tests in the test case FlagDependentTest
+// will be instantiated twice with parameters false and true.
+//
+// class FlagDependentTest : public testing::TestWithParam<bool> {
+//   virtual void SetUp() {
+//     external_flag = GetParam();
+//   }
+// }
+// INSTANTIATE_TEST_CASE_P(BoolSequence, FlagDependentTest, Bool());
+//
+inline internal::ParamGenerator<bool> Bool() {
+  return Values(false, true);
+}
+
+# if GTEST_HAS_COMBINE
+// Combine() allows the user to combine two or more sequences to produce
+// values of a Cartesian product of those sequences' elements.
+//
+// Synopsis:
+// Combine(gen1, gen2, ..., genN)
+//   - returns a generator producing sequences with elements coming from
+//     the Cartesian product of elements from the sequences generated by
+//     gen1, gen2, ..., genN. The sequence elements will have a type of
+//     tuple<T1, T2, ..., TN> where T1, T2, ..., TN are the types
+//     of elements from sequences produces by gen1, gen2, ..., genN.
+//
+// Combine can have up to 10 arguments. This number is currently limited
+// by the maximum number of elements in the tuple implementation used by Google
+// Test.
+//
+// Example:
+//
+// This will instantiate tests in test case AnimalTest each one with
+// the parameter values tuple("cat", BLACK), tuple("cat", WHITE),
+// tuple("dog", BLACK), and tuple("dog", WHITE):
+//
+// enum Color { BLACK, GRAY, WHITE };
+// class AnimalTest
+//     : public testing::TestWithParam<tuple<const char*, Color> > {...};
+//
+// TEST_P(AnimalTest, AnimalLooksNice) {...}
+//
+// INSTANTIATE_TEST_CASE_P(AnimalVariations, AnimalTest,
+//                         Combine(Values("cat", "dog"),
+//                                 Values(BLACK, WHITE)));
+//
+// This will instantiate tests in FlagDependentTest with all variations of two
+// Boolean flags:
+//
+// class FlagDependentTest
+//     : public testing::TestWithParam<tuple<bool, bool> > {
+//   virtual void SetUp() {
+//     // Assigns external_flag_1 and external_flag_2 values from the tuple.
+//     tie(external_flag_1, external_flag_2) = GetParam();
+//   }
+// };
+//
+// TEST_P(FlagDependentTest, TestFeature1) {
+//   // Test your code using external_flag_1 and external_flag_2 here.
+// }
+// INSTANTIATE_TEST_CASE_P(TwoBoolSequence, FlagDependentTest,
+//                         Combine(Bool(), Bool()));
+//
+template <typename Generator1, typename Generator2>
+internal::CartesianProductHolder2<Generator1, Generator2> Combine(
+    const Generator1& g1, const Generator2& g2) {
+  return internal::CartesianProductHolder2<Generator1, Generator2>(
+      g1, g2);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3>
+internal::CartesianProductHolder3<Generator1, Generator2, Generator3> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3) {
+  return internal::CartesianProductHolder3<Generator1, Generator2, Generator3>(
+      g1, g2, g3);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4>
+internal::CartesianProductHolder4<Generator1, Generator2, Generator3,
+    Generator4> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4) {
+  return internal::CartesianProductHolder4<Generator1, Generator2, Generator3,
+      Generator4>(
+      g1, g2, g3, g4);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5>
+internal::CartesianProductHolder5<Generator1, Generator2, Generator3,
+    Generator4, Generator5> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5) {
+  return internal::CartesianProductHolder5<Generator1, Generator2, Generator3,
+      Generator4, Generator5>(
+      g1, g2, g3, g4, g5);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5, typename Generator6>
+internal::CartesianProductHolder6<Generator1, Generator2, Generator3,
+    Generator4, Generator5, Generator6> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5, const Generator6& g6) {
+  return internal::CartesianProductHolder6<Generator1, Generator2, Generator3,
+      Generator4, Generator5, Generator6>(
+      g1, g2, g3, g4, g5, g6);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5, typename Generator6,
+    typename Generator7>
+internal::CartesianProductHolder7<Generator1, Generator2, Generator3,
+    Generator4, Generator5, Generator6, Generator7> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5, const Generator6& g6,
+        const Generator7& g7) {
+  return internal::CartesianProductHolder7<Generator1, Generator2, Generator3,
+      Generator4, Generator5, Generator6, Generator7>(
+      g1, g2, g3, g4, g5, g6, g7);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5, typename Generator6,
+    typename Generator7, typename Generator8>
+internal::CartesianProductHolder8<Generator1, Generator2, Generator3,
+    Generator4, Generator5, Generator6, Generator7, Generator8> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5, const Generator6& g6,
+        const Generator7& g7, const Generator8& g8) {
+  return internal::CartesianProductHolder8<Generator1, Generator2, Generator3,
+      Generator4, Generator5, Generator6, Generator7, Generator8>(
+      g1, g2, g3, g4, g5, g6, g7, g8);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5, typename Generator6,
+    typename Generator7, typename Generator8, typename Generator9>
+internal::CartesianProductHolder9<Generator1, Generator2, Generator3,
+    Generator4, Generator5, Generator6, Generator7, Generator8,
+    Generator9> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5, const Generator6& g6,
+        const Generator7& g7, const Generator8& g8, const Generator9& g9) {
+  return internal::CartesianProductHolder9<Generator1, Generator2, Generator3,
+      Generator4, Generator5, Generator6, Generator7, Generator8, Generator9>(
+      g1, g2, g3, g4, g5, g6, g7, g8, g9);
+}
+
+template <typename Generator1, typename Generator2, typename Generator3,
+    typename Generator4, typename Generator5, typename Generator6,
+    typename Generator7, typename Generator8, typename Generator9,
+    typename Generator10>
+internal::CartesianProductHolder10<Generator1, Generator2, Generator3,
+    Generator4, Generator5, Generator6, Generator7, Generator8, Generator9,
+    Generator10> Combine(
+    const Generator1& g1, const Generator2& g2, const Generator3& g3,
+        const Generator4& g4, const Generator5& g5, const Generator6& g6,
+        const Generator7& g7, const Generator8& g8, const Generator9& g9,
+        const Generator10& g10) {
+  return internal::CartesianProductHolder10<Generator1, Generator2, Generator3,
+      Generator4, Generator5, Generator6, Generator7, Generator8, Generator9,
+      Generator10>(
+      g1, g2, g3, g4, g5, g6, g7, g8, g9, g10);
+}
+# endif  // GTEST_HAS_COMBINE
+
+
+
+# define TEST_P(test_case_name, test_name) \
+  class GTEST_TEST_CLASS_NAME_(test_case_name, test_name) \
+      : public test_case_name { \
+   public: \
+    GTEST_TEST_CLASS_NAME_(test_case_name, test_name)() {} \
+    virtual void TestBody(); \
+   private: \
+    static int AddToRegistry() { \
+      ::testing::UnitTest::GetInstance()->parameterized_test_registry(). \
+          GetTestCasePatternHolder<test_case_name>(\
+              #test_case_name, __FILE__, __LINE__)->AddTestPattern(\
+                  #test_case_name, \
+                  #test_name, \
+                  new ::testing::internal::TestMetaFactory< \
+                      GTEST_TEST_CLASS_NAME_(test_case_name, test_name)>()); \
+      return 0; \
+    } \
+    static int gtest_registering_dummy_; \
+    GTEST_DISALLOW_COPY_AND_ASSIGN_(\
+        GTEST_TEST_CLASS_NAME_(test_case_name, test_name)); \
+  }; \
+  int GTEST_TEST_CLASS_NAME_(test_case_name, \
+                             test_name)::gtest_registering_dummy_ = \
+      GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::AddToRegistry(); \
+  void GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::TestBody()
+
+# define INSTANTIATE_TEST_CASE_P(prefix, test_case_name, generator) \
+  ::testing::internal::ParamGenerator<test_case_name::ParamType> \
+      gtest_##prefix##test_case_name##_EvalGenerator_() { return generator; } \
+  int gtest_##prefix##test_case_name##_dummy_ = \
+      ::testing::UnitTest::GetInstance()->parameterized_test_registry(). \
+          GetTestCasePatternHolder<test_case_name>(\
+              #test_case_name, __FILE__, __LINE__)->AddTestCaseInstantiation(\
+                  #prefix, \
+                  &gtest_##prefix##test_case_name##_EvalGenerator_, \
+                  __FILE__, __LINE__)
+
+}  // namespace testing
+
+#endif  // GTEST_HAS_PARAM_TEST
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
+// Copyright 2006, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+//
+// Google C++ Testing Framework definitions useful in production code.
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_PROD_H_
+#define GTEST_INCLUDE_GTEST_GTEST_PROD_H_
+
+// When you need to test the private or protected members of a class,
+// use the FRIEND_TEST macro to declare your tests as friends of the
+// class.  For example:
+//
+// class MyClass {
+//  private:
+//   void MyMethod();
+//   FRIEND_TEST(MyClassTest, MyMethod);
+// };
+//
+// class MyClassTest : public testing::Test {
+//   // ...
+// };
+//
+// TEST_F(MyClassTest, MyMethod) {
+//   // Can call MyClass::MyMethod() here.
+// }
+
+#define FRIEND_TEST(test_case_name, test_name)\
+friend class test_case_name##_##test_name##_Test
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_PROD_H_
+// Copyright 2008, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: mheule@google.com (Markus Heule)
+//
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
+#define GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
+
+#include <iosfwd>
+#include <vector>
+
+namespace testing {
+
+// A copyable object representing the result of a test part (i.e. an
+// assertion or an explicit FAIL(), ADD_FAILURE(), or SUCCESS()).
+//
+// Don't inherit from TestPartResult as its destructor is not virtual.
+class GTEST_API_ TestPartResult {
+ public:
+  // The possible outcomes of a test part (i.e. an assertion or an
+  // explicit SUCCEED(), FAIL(), or ADD_FAILURE()).
+  enum Type {
+    kSuccess,          // Succeeded.
+    kNonFatalFailure,  // Failed but the test can continue.
+    kFatalFailure      // Failed and the test should be terminated.
+  };
+
+  // C'tor.  TestPartResult does NOT have a default constructor.
+  // Always use this constructor (with parameters) to create a
+  // TestPartResult object.
+  TestPartResult(Type a_type,
+                 const char* a_file_name,
+                 int a_line_number,
+                 const char* a_message)
+      : type_(a_type),
+        file_name_(a_file_name == NULL ? "" : a_file_name),
+        line_number_(a_line_number),
+        summary_(ExtractSummary(a_message)),
+        message_(a_message) {
+  }
+
+  // Gets the outcome of the test part.
+  Type type() const { return type_; }
+
+  // Gets the name of the source file where the test part took place, or
+  // NULL if it's unknown.
+  const char* file_name() const {
+    return file_name_.empty() ? NULL : file_name_.c_str();
+  }
+
+  // Gets the line in the source file where the test part took place,
+  // or -1 if it's unknown.
+  int line_number() const { return line_number_; }
+
+  // Gets the summary of the failure message.
+  const char* summary() const { return summary_.c_str(); }
+
+  // Gets the message associated with the test part.
+  const char* message() const { return message_.c_str(); }
+
+  // Returns true iff the test part passed.
+  bool passed() const { return type_ == kSuccess; }
+
+  // Returns true iff the test part failed.
+  bool failed() const { return type_ != kSuccess; }
+
+  // Returns true iff the test part non-fatally failed.
+  bool nonfatally_failed() const { return type_ == kNonFatalFailure; }
+
+  // Returns true iff the test part fatally failed.
+  bool fatally_failed() const { return type_ == kFatalFailure; }
+
+ private:
+  Type type_;
+
+  // Gets the summary of the failure message by omitting the stack
+  // trace in it.
+  static std::string ExtractSummary(const char* message);
+
+  // The name of the source file where the test part took place, or
+  // "" if the source file is unknown.
+  std::string file_name_;
+  // The line in the source file where the test part took place, or -1
+  // if the line number is unknown.
+  int line_number_;
+  std::string summary_;  // The test failure summary.
+  std::string message_;  // The test failure message.
+};
+
+// Prints a TestPartResult object.
+std::ostream& operator<<(std::ostream& os, const TestPartResult& result);
+
+// An array of TestPartResult objects.
+//
+// Don't inherit from TestPartResultArray as its destructor is not
+// virtual.
+class GTEST_API_ TestPartResultArray {
+ public:
+  TestPartResultArray() {}
+
+  // Appends the given TestPartResult to the array.
+  void Append(const TestPartResult& result);
+
+  // Returns the TestPartResult at the given index (0-based).
+  const TestPartResult& GetTestPartResult(int index) const;
+
+  // Returns the number of TestPartResult objects in the array.
+  int size() const;
+
+ private:
+  std::vector<TestPartResult> array_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestPartResultArray);
+};
+
+// This interface knows how to report a test part result.
+class TestPartResultReporterInterface {
+ public:
+  virtual ~TestPartResultReporterInterface() {}
+
+  virtual void ReportTestPartResult(const TestPartResult& result) = 0;
+};
+
+namespace internal {
+
+// This helper class is used by {ASSERT|EXPECT}_NO_FATAL_FAILURE to check if a
+// statement generates new fatal failures. To do so it registers itself as the
+// current test part result reporter. Besides checking if fatal failures were
+// reported, it only delegates the reporting to the former result reporter.
+// The original result reporter is restored in the destructor.
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+class GTEST_API_ HasNewFatalFailureHelper
+    : public TestPartResultReporterInterface {
+ public:
+  HasNewFatalFailureHelper();
+  virtual ~HasNewFatalFailureHelper();
+  virtual void ReportTestPartResult(const TestPartResult& result);
+  bool has_new_fatal_failure() const { return has_new_fatal_failure_; }
+ private:
+  bool has_new_fatal_failure_;
+  TestPartResultReporterInterface* original_reporter_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(HasNewFatalFailureHelper);
+};
+
+}  // namespace internal
+
+}  // namespace testing
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
+// Copyright 2008 Google Inc.
+// All Rights Reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Author: wan@google.com (Zhanyong Wan)
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
+#define GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
+
+// This header implements typed tests and type-parameterized tests.
+
+// Typed (aka type-driven) tests repeat the same test for types in a
+// list.  You must know which types you want to test with when writing
+// typed tests. Here's how you do it:
+
+#if 0
+
+// First, define a fixture class template.  It should be parameterized
+// by a type.  Remember to derive it from testing::Test.
+template <typename T>
+class FooTest : public testing::Test {
+ public:
+  ...
+  typedef std::list<T> List;
+  static T shared_;
+  T value_;
+};
+
+// Next, associate a list of types with the test case, which will be
+// repeated for each type in the list.  The typedef is necessary for
+// the macro to parse correctly.
+typedef testing::Types<char, int, unsigned int> MyTypes;
+TYPED_TEST_CASE(FooTest, MyTypes);
+
+// If the type list contains only one type, you can write that type
+// directly without Types<...>:
+//   TYPED_TEST_CASE(FooTest, int);
+
+// Then, use TYPED_TEST() instead of TEST_F() to define as many typed
+// tests for this test case as you want.
+TYPED_TEST(FooTest, DoesBlah) {
+  // Inside a test, refer to TypeParam to get the type parameter.
+  // Since we are inside a derived class template, C++ requires use to
+  // visit the members of FooTest via 'this'.
+  TypeParam n = this->value_;
+
+  // To visit static members of the fixture, add the TestFixture::
+  // prefix.
+  n += TestFixture::shared_;
+
+  // To refer to typedefs in the fixture, add the "typename
+  // TestFixture::" prefix.
+  typename TestFixture::List values;
+  values.push_back(n);
+  ...
+}
+
+TYPED_TEST(FooTest, HasPropertyA) { ... }
+
+#endif  // 0
+
+// Type-parameterized tests are abstract test patterns parameterized
+// by a type.  Compared with typed tests, type-parameterized tests
+// allow you to define the test pattern without knowing what the type
+// parameters are.  The defined pattern can be instantiated with
+// different types any number of times, in any number of translation
+// units.
+//
+// If you are designing an interface or concept, you can define a
+// suite of type-parameterized tests to verify properties that any
+// valid implementation of the interface/concept should have.  Then,
+// each implementation can easily instantiate the test suite to verify
+// that it conforms to the requirements, without having to write
+// similar tests repeatedly.  Here's an example:
+
+#if 0
+
+// First, define a fixture class template.  It should be parameterized
+// by a type.  Remember to derive it from testing::Test.
+template <typename T>
+class FooTest : public testing::Test {
+  ...
+};
+
+// Next, declare that you will define a type-parameterized test case
+// (the _P suffix is for "parameterized" or "pattern", whichever you
+// prefer):
+TYPED_TEST_CASE_P(FooTest);
+
+// Then, use TYPED_TEST_P() to define as many type-parameterized tests
+// for this type-parameterized test case as you want.
+TYPED_TEST_P(FooTest, DoesBlah) {
+  // Inside a test, refer to TypeParam to get the type parameter.
+  TypeParam n = 0;
+  ...
+}
+
+TYPED_TEST_P(FooTest, HasPropertyA) { ... }
+
+// Now the tricky part: you need to register all test patterns before
+// you can instantiate them.  The first argument of the macro is the
+// test case name; the rest are the names of the tests in this test
+// case.
+REGISTER_TYPED_TEST_CASE_P(FooTest,
+                           DoesBlah, HasPropertyA);
+
+// Finally, you are free to instantiate the pattern with the types you
+// want.  If you put the above code in a header file, you can #include
+// it in multiple C++ source files and instantiate it multiple times.
+//
+// To distinguish different instances of the pattern, the first
+// argument to the INSTANTIATE_* macro is a prefix that will be added
+// to the actual test case name.  Remember to pick unique prefixes for
+// different instances.
+typedef testing::Types<char, int, unsigned int> MyTypes;
+INSTANTIATE_TYPED_TEST_CASE_P(My, FooTest, MyTypes);
+
+// If the type list contains only one type, you can write that type
+// directly without Types<...>:
+//   INSTANTIATE_TYPED_TEST_CASE_P(My, FooTest, int);
+
+#endif  // 0
+
+
+// Implements typed tests.
+
+#if GTEST_HAS_TYPED_TEST
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Expands to the name of the typedef for the type parameters of the
+// given test case.
+# define GTEST_TYPE_PARAMS_(TestCaseName) gtest_type_params_##TestCaseName##_
+
+// The 'Types' template argument below must have spaces around it
+// since some compilers may choke on '>>' when passing a template
+// instance (e.g. Types<int>)
+# define TYPED_TEST_CASE(CaseName, Types) \
+  typedef ::testing::internal::TypeList< Types >::type \
+      GTEST_TYPE_PARAMS_(CaseName)
+
+# define TYPED_TEST(CaseName, TestName) \
+  template <typename gtest_TypeParam_> \
+  class GTEST_TEST_CLASS_NAME_(CaseName, TestName) \
+      : public CaseName<gtest_TypeParam_> { \
+   private: \
+    typedef CaseName<gtest_TypeParam_> TestFixture; \
+    typedef gtest_TypeParam_ TypeParam; \
+    virtual void TestBody(); \
+  }; \
+  bool gtest_##CaseName##_##TestName##_registered_ GTEST_ATTRIBUTE_UNUSED_ = \
+      ::testing::internal::TypeParameterizedTest< \
+          CaseName, \
+          ::testing::internal::TemplateSel< \
+              GTEST_TEST_CLASS_NAME_(CaseName, TestName)>, \
+          GTEST_TYPE_PARAMS_(CaseName)>::Register(\
+              "", #CaseName, #TestName, 0); \
+  template <typename gtest_TypeParam_> \
+  void GTEST_TEST_CLASS_NAME_(CaseName, TestName)<gtest_TypeParam_>::TestBody()
+
+#endif  // GTEST_HAS_TYPED_TEST
+
+// Implements type-parameterized tests.
+
+#if GTEST_HAS_TYPED_TEST_P
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Expands to the namespace name that the type-parameterized tests for
+// the given type-parameterized test case are defined in.  The exact
+// name of the namespace is subject to change without notice.
+# define GTEST_CASE_NAMESPACE_(TestCaseName) \
+  gtest_case_##TestCaseName##_
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+//
+// Expands to the name of the variable used to remember the names of
+// the defined tests in the given test case.
+# define GTEST_TYPED_TEST_CASE_P_STATE_(TestCaseName) \
+  gtest_typed_test_case_p_state_##TestCaseName##_
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE DIRECTLY.
+//
+// Expands to the name of the variable used to remember the names of
+// the registered tests in the given test case.
+# define GTEST_REGISTERED_TEST_NAMES_(TestCaseName) \
+  gtest_registered_test_names_##TestCaseName##_
+
+// The variables defined in the type-parameterized test macros are
+// static as typically these macros are used in a .h file that can be
+// #included in multiple translation units linked together.
+# define TYPED_TEST_CASE_P(CaseName) \
+  static ::testing::internal::TypedTestCasePState \
+      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName)
+
+# define TYPED_TEST_P(CaseName, TestName) \
+  namespace GTEST_CASE_NAMESPACE_(CaseName) { \
+  template <typename gtest_TypeParam_> \
+  class TestName : public CaseName<gtest_TypeParam_> { \
+   private: \
+    typedef CaseName<gtest_TypeParam_> TestFixture; \
+    typedef gtest_TypeParam_ TypeParam; \
+    virtual void TestBody(); \
+  }; \
+  static bool gtest_##TestName##_defined_ GTEST_ATTRIBUTE_UNUSED_ = \
+      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName).AddTestName(\
+          __FILE__, __LINE__, #CaseName, #TestName); \
+  } \
+  template <typename gtest_TypeParam_> \
+  void GTEST_CASE_NAMESPACE_(CaseName)::TestName<gtest_TypeParam_>::TestBody()
+
+# define REGISTER_TYPED_TEST_CASE_P(CaseName, ...) \
+  namespace GTEST_CASE_NAMESPACE_(CaseName) { \
+  typedef ::testing::internal::Templates<__VA_ARGS__>::type gtest_AllTests_; \
+  } \
+  static const char* const GTEST_REGISTERED_TEST_NAMES_(CaseName) = \
+      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName).VerifyRegisteredTestNames(\
+          __FILE__, __LINE__, #__VA_ARGS__)
+
+// The 'Types' template argument below must have spaces around it
+// since some compilers may choke on '>>' when passing a template
+// instance (e.g. Types<int>)
+# define INSTANTIATE_TYPED_TEST_CASE_P(Prefix, CaseName, Types) \
+  bool gtest_##Prefix##_##CaseName GTEST_ATTRIBUTE_UNUSED_ = \
+      ::testing::internal::TypeParameterizedTestCase<CaseName, \
+          GTEST_CASE_NAMESPACE_(CaseName)::gtest_AllTests_, \
+          ::testing::internal::TypeList< Types >::type>::Register(\
+              #Prefix, #CaseName, GTEST_REGISTERED_TEST_NAMES_(CaseName))
+
+#endif  // GTEST_HAS_TYPED_TEST_P
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
+
+// Depending on the platform, different string classes are available.
+// On Linux, in addition to ::std::string, Google also makes use of
+// class ::string, which has the same interface as ::std::string, but
+// has a different implementation.
+//
+// The user can define GTEST_HAS_GLOBAL_STRING to 1 to indicate that
+// ::string is available AND is a distinct type to ::std::string, or
+// define it to 0 to indicate otherwise.
+//
+// If the user's ::std::string and ::string are the same class due to
+// aliasing, he should define GTEST_HAS_GLOBAL_STRING to 0.
+//
+// If the user doesn't define GTEST_HAS_GLOBAL_STRING, it is defined
+// heuristically.
+
+namespace testing {
+
+// Declares the flags.
+
+// This flag temporary enables the disabled tests.
+GTEST_DECLARE_bool_(also_run_disabled_tests);
+
+// This flag brings the debugger on an assertion failure.
+GTEST_DECLARE_bool_(break_on_failure);
+
+// This flag controls whether Google Test catches all test-thrown exceptions
+// and logs them as failures.
+GTEST_DECLARE_bool_(catch_exceptions);
+
+// This flag enables using colors in terminal output. Available values are
+// "yes" to enable colors, "no" (disable colors), or "auto" (the default)
+// to let Google Test decide.
+GTEST_DECLARE_string_(color);
+
+// This flag sets up the filter to select by name using a glob pattern
+// the tests to run. If the filter is not given all tests are executed.
+GTEST_DECLARE_string_(filter);
+
+// This flag causes the Google Test to list tests. None of the tests listed
+// are actually run if the flag is provided.
+GTEST_DECLARE_bool_(list_tests);
+
+// This flag controls whether Google Test emits a detailed XML report to a file
+// in addition to its normal textual output.
+GTEST_DECLARE_string_(output);
+
+// This flags control whether Google Test prints the elapsed time for each
+// test.
+GTEST_DECLARE_bool_(print_time);
+
+// This flag specifies the random number seed.
+GTEST_DECLARE_int32_(random_seed);
+
+// This flag sets how many times the tests are repeated. The default value
+// is 1. If the value is -1 the tests are repeating forever.
+GTEST_DECLARE_int32_(repeat);
+
+// This flag controls whether Google Test includes Google Test internal
+// stack frames in failure stack traces.
+GTEST_DECLARE_bool_(show_internal_stack_frames);
+
+// When this flag is specified, tests' order is randomized on every iteration.
+GTEST_DECLARE_bool_(shuffle);
+
+// This flag specifies the maximum number of stack frames to be
+// printed in a failure message.
+GTEST_DECLARE_int32_(stack_trace_depth);
+
+// When this flag is specified, a failed assertion will throw an
+// exception if exceptions are enabled, or exit the program with a
+// non-zero code otherwise.
+GTEST_DECLARE_bool_(throw_on_failure);
+
+// When this flag is set with a "host:port" string, on supported
+// platforms test results are streamed to the specified port on
+// the specified host machine.
+GTEST_DECLARE_string_(stream_result_to);
+
+// The upper limit for valid stack trace depths.
+const int kMaxStackTraceDepth = 100;
+
+namespace internal {
+
+class AssertHelper;
+class DefaultGlobalTestPartResultReporter;
+class ExecDeathTest;
+class NoExecDeathTest;
+class FinalSuccessChecker;
+class GTestFlagSaver;
+class StreamingListenerTest;
+class TestResultAccessor;
+class TestEventListenersAccessor;
+class TestEventRepeater;
+class UnitTestRecordPropertyTestHelper;
+class WindowsDeathTest;
+class UnitTestImpl* GetUnitTestImpl();
+void ReportFailureInUnknownLocation(TestPartResult::Type result_type,
+                                    const std::string& message);
+
+}  // namespace internal
+
+// The friend relationship of some of these classes is cyclic.
+// If we don't forward declare them the compiler might confuse the classes
+// in friendship clauses with same named classes on the scope.
+class Test;
+class TestCase;
+class TestInfo;
+class UnitTest;
+
+// A class for indicating whether an assertion was successful.  When
+// the assertion wasn't successful, the AssertionResult object
+// remembers a non-empty message that describes how it failed.
+//
+// To create an instance of this class, use one of the factory functions
+// (AssertionSuccess() and AssertionFailure()).
+//
+// This class is useful for two purposes:
+//   1. Defining predicate functions to be used with Boolean test assertions
+//      EXPECT_TRUE/EXPECT_FALSE and their ASSERT_ counterparts
+//   2. Defining predicate-format functions to be
+//      used with predicate assertions (ASSERT_PRED_FORMAT*, etc).
+//
+// For example, if you define IsEven predicate:
+//
+//   testing::AssertionResult IsEven(int n) {
+//     if ((n % 2) == 0)
+//       return testing::AssertionSuccess();
+//     else
+//       return testing::AssertionFailure() << n << " is odd";
+//   }
+//
+// Then the failed expectation EXPECT_TRUE(IsEven(Fib(5)))
+// will print the message
+//
+//   Value of: IsEven(Fib(5))
+//     Actual: false (5 is odd)
+//   Expected: true
+//
+// instead of a more opaque
+//
+//   Value of: IsEven(Fib(5))
+//     Actual: false
+//   Expected: true
+//
+// in case IsEven is a simple Boolean predicate.
+//
+// If you expect your predicate to be reused and want to support informative
+// messages in EXPECT_FALSE and ASSERT_FALSE (negative assertions show up
+// about half as often as positive ones in our tests), supply messages for
+// both success and failure cases:
+//
+//   testing::AssertionResult IsEven(int n) {
+//     if ((n % 2) == 0)
+//       return testing::AssertionSuccess() << n << " is even";
+//     else
+//       return testing::AssertionFailure() << n << " is odd";
+//   }
+//
+// Then a statement EXPECT_FALSE(IsEven(Fib(6))) will print
+//
+//   Value of: IsEven(Fib(6))
+//     Actual: true (8 is even)
+//   Expected: false
+//
+// NB: Predicates that support negative Boolean assertions have reduced
+// performance in positive ones so be careful not to use them in tests
+// that have lots (tens of thousands) of positive Boolean assertions.
+//
+// To use this class with EXPECT_PRED_FORMAT assertions such as:
+//
+//   // Verifies that Foo() returns an even number.
+//   EXPECT_PRED_FORMAT1(IsEven, Foo());
+//
+// you need to define:
+//
+//   testing::AssertionResult IsEven(const char* expr, int n) {
+//     if ((n % 2) == 0)
+//       return testing::AssertionSuccess();
+//     else
+//       return testing::AssertionFailure()
+//         << "Expected: " << expr << " is even\n  Actual: it's " << n;
+//   }
+//
+// If Foo() returns 5, you will see the following message:
+//
+//   Expected: Foo() is even
+//     Actual: it's 5
+//
+class GTEST_API_ AssertionResult {
+ public:
+  // Copy constructor.
+  // Used in EXPECT_TRUE/FALSE(assertion_result).
+  AssertionResult(const AssertionResult& other);
+  // Used in the EXPECT_TRUE/FALSE(bool_expression).
+  explicit AssertionResult(bool success) : success_(success) {}
+
+  // Returns true iff the assertion succeeded.
+  operator bool() const { return success_; }  // NOLINT
+
+  // Returns the assertion's negation. Used with EXPECT/ASSERT_FALSE.
+  AssertionResult operator!() const;
+
+  // Returns the text streamed into this AssertionResult. Test assertions
+  // use it when they fail (i.e., the predicate's outcome doesn't match the
+  // assertion's expectation). When nothing has been streamed into the
+  // object, returns an empty string.
+  const char* message() const {
+    return message_.get() != NULL ?  message_->c_str() : "";
+  }
+  // TODO(vladl@google.com): Remove this after making sure no clients use it.
+  // Deprecated; please use message() instead.
+  const char* failure_message() const { return message(); }
+
+  // Streams a custom failure message into this object.
+  template <typename T> AssertionResult& operator<<(const T& value) {
+    AppendMessage(Message() << value);
+    return *this;
+  }
+
+  // Allows streaming basic output manipulators such as endl or flush into
+  // this object.
+  AssertionResult& operator<<(
+      ::std::ostream& (*basic_manipulator)(::std::ostream& stream)) {
+    AppendMessage(Message() << basic_manipulator);
+    return *this;
+  }
+
+ private:
+  // Appends the contents of message to message_.
+  void AppendMessage(const Message& a_message) {
+    if (message_.get() == NULL)
+      message_.reset(new ::std::string);
+    message_->append(a_message.GetString().c_str());
+  }
+
+  // Stores result of the assertion predicate.
+  bool success_;
+  // Stores the message describing the condition in case the expectation
+  // construct is not satisfied with the predicate's outcome.
+  // Referenced via a pointer to avoid taking too much stack frame space
+  // with test assertions.
+  internal::scoped_ptr< ::std::string> message_;
+
+  GTEST_DISALLOW_ASSIGN_(AssertionResult);
+};
+
+// Makes a successful assertion result.
+GTEST_API_ AssertionResult AssertionSuccess();
+
+// Makes a failed assertion result.
+GTEST_API_ AssertionResult AssertionFailure();
+
+// Makes a failed assertion result with the given failure message.
+// Deprecated; use AssertionFailure() << msg.
+GTEST_API_ AssertionResult AssertionFailure(const Message& msg);
+
+// The abstract class that all tests inherit from.
+//
+// In Google Test, a unit test program contains one or many TestCases, and
+// each TestCase contains one or many Tests.
+//
+// When you define a test using the TEST macro, you don't need to
+// explicitly derive from Test - the TEST macro automatically does
+// this for you.
+//
+// The only time you derive from Test is when defining a test fixture
+// to be used a TEST_F.  For example:
+//
+//   class FooTest : public testing::Test {
+//    protected:
+//     virtual void SetUp() { ... }
+//     virtual void TearDown() { ... }
+//     ...
+//   };
+//
+//   TEST_F(FooTest, Bar) { ... }
+//   TEST_F(FooTest, Baz) { ... }
+//
+// Test is not copyable.
+class GTEST_API_ Test {
+ public:
+  friend class TestInfo;
+
+  // Defines types for pointers to functions that set up and tear down
+  // a test case.
+  typedef internal::SetUpTestCaseFunc SetUpTestCaseFunc;
+  typedef internal::TearDownTestCaseFunc TearDownTestCaseFunc;
+
+  // The d'tor is virtual as we intend to inherit from Test.
+  virtual ~Test();
+
+  // Sets up the stuff shared by all tests in this test case.
+  //
+  // Google Test will call Foo::SetUpTestCase() before running the first
+  // test in test case Foo.  Hence a sub-class can define its own
+  // SetUpTestCase() method to shadow the one defined in the super
+  // class.
+  static void SetUpTestCase() {}
+
+  // Tears down the stuff shared by all tests in this test case.
+  //
+  // Google Test will call Foo::TearDownTestCase() after running the last
+  // test in test case Foo.  Hence a sub-class can define its own
+  // TearDownTestCase() method to shadow the one defined in the super
+  // class.
+  static void TearDownTestCase() {}
+
+  // Returns true iff the current test has a fatal failure.
+  static bool HasFatalFailure();
+
+  // Returns true iff the current test has a non-fatal failure.
+  static bool HasNonfatalFailure();
+
+  // Returns true iff the current test has a (either fatal or
+  // non-fatal) failure.
+  static bool HasFailure() { return HasFatalFailure() || HasNonfatalFailure(); }
+
+  // Logs a property for the current test, test case, or for the entire
+  // invocation of the test program when used outside of the context of a
+  // test case.  Only the last value for a given key is remembered.  These
+  // are public static so they can be called from utility functions that are
+  // not members of the test fixture.  Calls to RecordProperty made during
+  // lifespan of the test (from the moment its constructor starts to the
+  // moment its destructor finishes) will be output in XML as attributes of
+  // the <testcase> element.  Properties recorded from fixture's
+  // SetUpTestCase or TearDownTestCase are logged as attributes of the
+  // corresponding <testsuite> element.  Calls to RecordProperty made in the
+  // global context (before or after invocation of RUN_ALL_TESTS and from
+  // SetUp/TearDown method of Environment objects registered with Google
+  // Test) will be output as attributes of the <testsuites> element.
+  static void RecordProperty(const std::string& key, const std::string& value);
+  static void RecordProperty(const std::string& key, int value);
+
+ protected:
+  // Creates a Test object.
+  Test();
+
+  // Sets up the test fixture.
+  virtual void SetUp();
+
+  // Tears down the test fixture.
+  virtual void TearDown();
+
+ private:
+  // Returns true iff the current test has the same fixture class as
+  // the first test in the current test case.
+  static bool HasSameFixtureClass();
+
+  // Runs the test after the test fixture has been set up.
+  //
+  // A sub-class must implement this to define the test logic.
+  //
+  // DO NOT OVERRIDE THIS FUNCTION DIRECTLY IN A USER PROGRAM.
+  // Instead, use the TEST or TEST_F macro.
+  virtual void TestBody() = 0;
+
+  // Sets up, executes, and tears down the test.
+  void Run();
+
+  // Deletes self.  We deliberately pick an unusual name for this
+  // internal method to avoid clashing with names used in user TESTs.
+  void DeleteSelf_() { delete this; }
+
+  // Uses a GTestFlagSaver to save and restore all Google Test flags.
+  const internal::GTestFlagSaver* const gtest_flag_saver_;
+
+  // Often a user mis-spells SetUp() as Setup() and spends a long time
+  // wondering why it is never called by Google Test.  The declaration of
+  // the following method is solely for catching such an error at
+  // compile time:
+  //
+  //   - The return type is deliberately chosen to be not void, so it
+  //   will be a conflict if a user declares void Setup() in his test
+  //   fixture.
+  //
+  //   - This method is private, so it will be another compiler error
+  //   if a user calls it from his test fixture.
+  //
+  // DO NOT OVERRIDE THIS FUNCTION.
+  //
+  // If you see an error about overriding the following function or
+  // about it being private, you have mis-spelled SetUp() as Setup().
+  struct Setup_should_be_spelled_SetUp {};
+  virtual Setup_should_be_spelled_SetUp* Setup() { return NULL; }
+
+  // We disallow copying Tests.
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(Test);
+};
+
+typedef internal::TimeInMillis TimeInMillis;
+
+// A copyable object representing a user specified test property which can be
+// output as a key/value string pair.
+//
+// Don't inherit from TestProperty as its destructor is not virtual.
+class TestProperty {
+ public:
+  // C'tor.  TestProperty does NOT have a default constructor.
+  // Always use this constructor (with parameters) to create a
+  // TestProperty object.
+  TestProperty(const std::string& a_key, const std::string& a_value) :
+    key_(a_key), value_(a_value) {
+  }
+
+  // Gets the user supplied key.
+  const char* key() const {
+    return key_.c_str();
+  }
+
+  // Gets the user supplied value.
+  const char* value() const {
+    return value_.c_str();
+  }
+
+  // Sets a new value, overriding the one supplied in the constructor.
+  void SetValue(const std::string& new_value) {
+    value_ = new_value;
+  }
+
+ private:
+  // The key supplied by the user.
+  std::string key_;
+  // The value supplied by the user.
+  std::string value_;
+};
+
+// The result of a single Test.  This includes a list of
+// TestPartResults, a list of TestProperties, a count of how many
+// death tests there are in the Test, and how much time it took to run
+// the Test.
+//
+// TestResult is not copyable.
+class GTEST_API_ TestResult {
+ public:
+  // Creates an empty TestResult.
+  TestResult();
+
+  // D'tor.  Do not inherit from TestResult.
+  ~TestResult();
+
+  // Gets the number of all test parts.  This is the sum of the number
+  // of successful test parts and the number of failed test parts.
+  int total_part_count() const;
+
+  // Returns the number of the test properties.
+  int test_property_count() const;
+
+  // Returns true iff the test passed (i.e. no test part failed).
+  bool Passed() const { return !Failed(); }
+
+  // Returns true iff the test failed.
+  bool Failed() const;
+
+  // Returns true iff the test fatally failed.
+  bool HasFatalFailure() const;
+
+  // Returns true iff the test has a non-fatal failure.
+  bool HasNonfatalFailure() const;
+
+  // Returns the elapsed time, in milliseconds.
+  TimeInMillis elapsed_time() const { return elapsed_time_; }
+
+  // Returns the i-th test part result among all the results. i can range
+  // from 0 to test_property_count() - 1. If i is not in that range, aborts
+  // the program.
+  const TestPartResult& GetTestPartResult(int i) const;
+
+  // Returns the i-th test property. i can range from 0 to
+  // test_property_count() - 1. If i is not in that range, aborts the
+  // program.
+  const TestProperty& GetTestProperty(int i) const;
+
+ private:
+  friend class TestInfo;
+  friend class TestCase;
+  friend class UnitTest;
+  friend class internal::DefaultGlobalTestPartResultReporter;
+  friend class internal::ExecDeathTest;
+  friend class internal::TestResultAccessor;
+  friend class internal::UnitTestImpl;
+  friend class internal::WindowsDeathTest;
+
+  // Gets the vector of TestPartResults.
+  const std::vector<TestPartResult>& test_part_results() const {
+    return test_part_results_;
+  }
+
+  // Gets the vector of TestProperties.
+  const std::vector<TestProperty>& test_properties() const {
+    return test_properties_;
+  }
+
+  // Sets the elapsed time.
+  void set_elapsed_time(TimeInMillis elapsed) { elapsed_time_ = elapsed; }
+
+  // Adds a test property to the list. The property is validated and may add
+  // a non-fatal failure if invalid (e.g., if it conflicts with reserved
+  // key names). If a property is already recorded for the same key, the
+  // value will be updated, rather than storing multiple values for the same
+  // key.  xml_element specifies the element for which the property is being
+  // recorded and is used for validation.
+  void RecordProperty(const std::string& xml_element,
+                      const TestProperty& test_property);
+
+  // Adds a failure if the key is a reserved attribute of Google Test
+  // testcase tags.  Returns true if the property is valid.
+  // TODO(russr): Validate attribute names are legal and human readable.
+  static bool ValidateTestProperty(const std::string& xml_element,
+                                   const TestProperty& test_property);
+
+  // Adds a test part result to the list.
+  void AddTestPartResult(const TestPartResult& test_part_result);
+
+  // Returns the death test count.
+  int death_test_count() const { return death_test_count_; }
+
+  // Increments the death test count, returning the new count.
+  int increment_death_test_count() { return ++death_test_count_; }
+
+  // Clears the test part results.
+  void ClearTestPartResults();
+
+  // Clears the object.
+  void Clear();
+
+  // Protects mutable state of the property vector and of owned
+  // properties, whose values may be updated.
+  internal::Mutex test_properites_mutex_;
+
+  // The vector of TestPartResults
+  std::vector<TestPartResult> test_part_results_;
+  // The vector of TestProperties
+  std::vector<TestProperty> test_properties_;
+  // Running count of death tests.
+  int death_test_count_;
+  // The elapsed time, in milliseconds.
+  TimeInMillis elapsed_time_;
+
+  // We disallow copying TestResult.
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestResult);
+};  // class TestResult
+
+// A TestInfo object stores the following information about a test:
+//
+//   Test case name
+//   Test name
+//   Whether the test should be run
+//   A function pointer that creates the test object when invoked
+//   Test result
+//
+// The constructor of TestInfo registers itself with the UnitTest
+// singleton such that the RUN_ALL_TESTS() macro knows which tests to
+// run.
+class GTEST_API_ TestInfo {
+ public:
+  // Destructs a TestInfo object.  This function is not virtual, so
+  // don't inherit from TestInfo.
+  ~TestInfo();
+
+  // Returns the test case name.
+  const char* test_case_name() const { return test_case_name_.c_str(); }
+
+  // Returns the test name.
+  const char* name() const { return name_.c_str(); }
+
+  // Returns the name of the parameter type, or NULL if this is not a typed
+  // or a type-parameterized test.
+  const char* type_param() const {
+    if (type_param_.get() != NULL)
+      return type_param_->c_str();
+    return NULL;
+  }
+
+  // Returns the text representation of the value parameter, or NULL if this
+  // is not a value-parameterized test.
+  const char* value_param() const {
+    if (value_param_.get() != NULL)
+      return value_param_->c_str();
+    return NULL;
+  }
+
+  // Returns true if this test should run, that is if the test is not
+  // disabled (or it is disabled but the also_run_disabled_tests flag has
+  // been specified) and its full name matches the user-specified filter.
+  //
+  // Google Test allows the user to filter the tests by their full names.
+  // The full name of a test Bar in test case Foo is defined as
+  // "Foo.Bar".  Only the tests that match the filter will run.
+  //
+  // A filter is a colon-separated list of glob (not regex) patterns,
+  // optionally followed by a '-' and a colon-separated list of
+  // negative patterns (tests to exclude).  A test is run if it
+  // matches one of the positive patterns and does not match any of
+  // the negative patterns.
+  //
+  // For example, *A*:Foo.* is a filter that matches any string that
+  // contains the character 'A' or starts with "Foo.".
+  bool should_run() const { return should_run_; }
+
+  // Returns true iff this test will appear in the XML report.
+  bool is_reportable() const {
+    // For now, the XML report includes all tests matching the filter.
+    // In the future, we may trim tests that are excluded because of
+    // sharding.
+    return matches_filter_;
+  }
+
+  // Returns the result of the test.
+  const TestResult* result() const { return &result_; }
+
+ private:
+#if GTEST_HAS_DEATH_TEST
+  friend class internal::DefaultDeathTestFactory;
+#endif  // GTEST_HAS_DEATH_TEST
+  friend class Test;
+  friend class TestCase;
+  friend class internal::UnitTestImpl;
+  friend class internal::StreamingListenerTest;
+  friend TestInfo* internal::MakeAndRegisterTestInfo(
+      const char* test_case_name,
+      const char* name,
+      const char* type_param,
+      const char* value_param,
+      internal::TypeId fixture_class_id,
+      Test::SetUpTestCaseFunc set_up_tc,
+      Test::TearDownTestCaseFunc tear_down_tc,
+      internal::TestFactoryBase* factory);
+
+  // Constructs a TestInfo object. The newly constructed instance assumes
+  // ownership of the factory object.
+  TestInfo(const std::string& test_case_name,
+           const std::string& name,
+           const char* a_type_param,   // NULL if not a type-parameterized test
+           const char* a_value_param,  // NULL if not a value-parameterized test
+           internal::TypeId fixture_class_id,
+           internal::TestFactoryBase* factory);
+
+  // Increments the number of death tests encountered in this test so
+  // far.
+  int increment_death_test_count() {
+    return result_.increment_death_test_count();
+  }
+
+  // Creates the test object, runs it, records its result, and then
+  // deletes it.
+  void Run();
+
+  static void ClearTestResult(TestInfo* test_info) {
+    test_info->result_.Clear();
+  }
+
+  // These fields are immutable properties of the test.
+  const std::string test_case_name_;     // Test case name
+  const std::string name_;               // Test name
+  // Name of the parameter type, or NULL if this is not a typed or a
+  // type-parameterized test.
+  const internal::scoped_ptr<const ::std::string> type_param_;
+  // Text representation of the value parameter, or NULL if this is not a
+  // value-parameterized test.
+  const internal::scoped_ptr<const ::std::string> value_param_;
+  const internal::TypeId fixture_class_id_;   // ID of the test fixture class
+  bool should_run_;                 // True iff this test should run
+  bool is_disabled_;                // True iff this test is disabled
+  bool matches_filter_;             // True if this test matches the
+                                    // user-specified filter.
+  internal::TestFactoryBase* const factory_;  // The factory that creates
+                                              // the test object
+
+  // This field is mutable and needs to be reset before running the
+  // test for the second time.
+  TestResult result_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestInfo);
+};
+
+// A test case, which consists of a vector of TestInfos.
+//
+// TestCase is not copyable.
+class GTEST_API_ TestCase {
+ public:
+  // Creates a TestCase with the given name.
+  //
+  // TestCase does NOT have a default constructor.  Always use this
+  // constructor to create a TestCase object.
+  //
+  // Arguments:
+  //
+  //   name:         name of the test case
+  //   a_type_param: the name of the test's type parameter, or NULL if
+  //                 this is not a type-parameterized test.
+  //   set_up_tc:    pointer to the function that sets up the test case
+  //   tear_down_tc: pointer to the function that tears down the test case
+  TestCase(const char* name, const char* a_type_param,
+           Test::SetUpTestCaseFunc set_up_tc,
+           Test::TearDownTestCaseFunc tear_down_tc);
+
+  // Destructor of TestCase.
+  virtual ~TestCase();
+
+  // Gets the name of the TestCase.
+  const char* name() const { return name_.c_str(); }
+
+  // Returns the name of the parameter type, or NULL if this is not a
+  // type-parameterized test case.
+  const char* type_param() const {
+    if (type_param_.get() != NULL)
+      return type_param_->c_str();
+    return NULL;
+  }
+
+  // Returns true if any test in this test case should run.
+  bool should_run() const { return should_run_; }
+
+  // Gets the number of successful tests in this test case.
+  int successful_test_count() const;
+
+  // Gets the number of failed tests in this test case.
+  int failed_test_count() const;
+
+  // Gets the number of disabled tests that will be reported in the XML report.
+  int reportable_disabled_test_count() const;
+
+  // Gets the number of disabled tests in this test case.
+  int disabled_test_count() const;
+
+  // Gets the number of tests to be printed in the XML report.
+  int reportable_test_count() const;
+
+  // Get the number of tests in this test case that should run.
+  int test_to_run_count() const;
+
+  // Gets the number of all tests in this test case.
+  int total_test_count() const;
+
+  // Returns true iff the test case passed.
+  bool Passed() const { return !Failed(); }
+
+  // Returns true iff the test case failed.
+  bool Failed() const { return failed_test_count() > 0; }
+
+  // Returns the elapsed time, in milliseconds.
+  TimeInMillis elapsed_time() const { return elapsed_time_; }
+
+  // Returns the i-th test among all the tests. i can range from 0 to
+  // total_test_count() - 1. If i is not in that range, returns NULL.
+  const TestInfo* GetTestInfo(int i) const;
+
+  // Returns the TestResult that holds test properties recorded during
+  // execution of SetUpTestCase and TearDownTestCase.
+  const TestResult& ad_hoc_test_result() const { return ad_hoc_test_result_; }
+
+ private:
+  friend class Test;
+  friend class internal::UnitTestImpl;
+
+  // Gets the (mutable) vector of TestInfos in this TestCase.
+  std::vector<TestInfo*>& test_info_list() { return test_info_list_; }
+
+  // Gets the (immutable) vector of TestInfos in this TestCase.
+  const std::vector<TestInfo*>& test_info_list() const {
+    return test_info_list_;
+  }
+
+  // Returns the i-th test among all the tests. i can range from 0 to
+  // total_test_count() - 1. If i is not in that range, returns NULL.
+  TestInfo* GetMutableTestInfo(int i);
+
+  // Sets the should_run member.
+  void set_should_run(bool should) { should_run_ = should; }
+
+  // Adds a TestInfo to this test case.  Will delete the TestInfo upon
+  // destruction of the TestCase object.
+  void AddTestInfo(TestInfo * test_info);
+
+  // Clears the results of all tests in this test case.
+  void ClearResult();
+
+  // Clears the results of all tests in the given test case.
+  static void ClearTestCaseResult(TestCase* test_case) {
+    test_case->ClearResult();
+  }
+
+  // Runs every test in this TestCase.
+  void Run();
+
+  // Runs SetUpTestCase() for this TestCase.  This wrapper is needed
+  // for catching exceptions thrown from SetUpTestCase().
+  void RunSetUpTestCase() { (*set_up_tc_)(); }
+
+  // Runs TearDownTestCase() for this TestCase.  This wrapper is
+  // needed for catching exceptions thrown from TearDownTestCase().
+  void RunTearDownTestCase() { (*tear_down_tc_)(); }
+
+  // Returns true iff test passed.
+  static bool TestPassed(const TestInfo* test_info) {
+    return test_info->should_run() && test_info->result()->Passed();
+  }
+
+  // Returns true iff test failed.
+  static bool TestFailed(const TestInfo* test_info) {
+    return test_info->should_run() && test_info->result()->Failed();
+  }
+
+  // Returns true iff the test is disabled and will be reported in the XML
+  // report.
+  static bool TestReportableDisabled(const TestInfo* test_info) {
+    return test_info->is_reportable() && test_info->is_disabled_;
+  }
+
+  // Returns true iff test is disabled.
+  static bool TestDisabled(const TestInfo* test_info) {
+    return test_info->is_disabled_;
+  }
+
+  // Returns true iff this test will appear in the XML report.
+  static bool TestReportable(const TestInfo* test_info) {
+    return test_info->is_reportable();
+  }
+
+  // Returns true if the given test should run.
+  static bool ShouldRunTest(const TestInfo* test_info) {
+    return test_info->should_run();
+  }
+
+  // Shuffles the tests in this test case.
+  void ShuffleTests(internal::Random* random);
+
+  // Restores the test order to before the first shuffle.
+  void UnshuffleTests();
+
+  // Name of the test case.
+  std::string name_;
+  // Name of the parameter type, or NULL if this is not a typed or a
+  // type-parameterized test.
+  const internal::scoped_ptr<const ::std::string> type_param_;
+  // The vector of TestInfos in their original order.  It owns the
+  // elements in the vector.
+  std::vector<TestInfo*> test_info_list_;
+  // Provides a level of indirection for the test list to allow easy
+  // shuffling and restoring the test order.  The i-th element in this
+  // vector is the index of the i-th test in the shuffled test list.
+  std::vector<int> test_indices_;
+  // Pointer to the function that sets up the test case.
+  Test::SetUpTestCaseFunc set_up_tc_;
+  // Pointer to the function that tears down the test case.
+  Test::TearDownTestCaseFunc tear_down_tc_;
+  // True iff any test in this test case should run.
+  bool should_run_;
+  // Elapsed time, in milliseconds.
+  TimeInMillis elapsed_time_;
+  // Holds test properties recorded during execution of SetUpTestCase and
+  // TearDownTestCase.
+  TestResult ad_hoc_test_result_;
+
+  // We disallow copying TestCases.
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestCase);
+};
+
+// An Environment object is capable of setting up and tearing down an
+// environment.  The user should subclass this to define his own
+// environment(s).
+//
+// An Environment object does the set-up and tear-down in virtual
+// methods SetUp() and TearDown() instead of the constructor and the
+// destructor, as:
+//
+//   1. You cannot safely throw from a destructor.  This is a problem
+//      as in some cases Google Test is used where exceptions are enabled, and
+//      we may want to implement ASSERT_* using exceptions where they are
+//      available.
+//   2. You cannot use ASSERT_* directly in a constructor or
+//      destructor.
+class Environment {
+ public:
+  // The d'tor is virtual as we need to subclass Environment.
+  virtual ~Environment() {}
+
+  // Override this to define how to set up the environment.
+  virtual void SetUp() {}
+
+  // Override this to define how to tear down the environment.
+  virtual void TearDown() {}
+ private:
+  // If you see an error about overriding the following function or
+  // about it being private, you have mis-spelled SetUp() as Setup().
+  struct Setup_should_be_spelled_SetUp {};
+  virtual Setup_should_be_spelled_SetUp* Setup() { return NULL; }
+};
+
+// The interface for tracing execution of tests. The methods are organized in
+// the order the corresponding events are fired.
+class TestEventListener {
+ public:
+  virtual ~TestEventListener() {}
+
+  // Fired before any test activity starts.
+  virtual void OnTestProgramStart(const UnitTest& unit_test) = 0;
+
+  // Fired before each iteration of tests starts.  There may be more than
+  // one iteration if GTEST_FLAG(repeat) is set. iteration is the iteration
+  // index, starting from 0.
+  virtual void OnTestIterationStart(const UnitTest& unit_test,
+                                    int iteration) = 0;
+
+  // Fired before environment set-up for each iteration of tests starts.
+  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test) = 0;
+
+  // Fired after environment set-up for each iteration of tests ends.
+  virtual void OnEnvironmentsSetUpEnd(const UnitTest& unit_test) = 0;
+
+  // Fired before the test case starts.
+  virtual void OnTestCaseStart(const TestCase& test_case) = 0;
+
+  // Fired before the test starts.
+  virtual void OnTestStart(const TestInfo& test_info) = 0;
+
+  // Fired after a failed assertion or a SUCCEED() invocation.
+  virtual void OnTestPartResult(const TestPartResult& test_part_result) = 0;
+
+  // Fired after the test ends.
+  virtual void OnTestEnd(const TestInfo& test_info) = 0;
+
+  // Fired after the test case ends.
+  virtual void OnTestCaseEnd(const TestCase& test_case) = 0;
+
+  // Fired before environment tear-down for each iteration of tests starts.
+  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test) = 0;
+
+  // Fired after environment tear-down for each iteration of tests ends.
+  virtual void OnEnvironmentsTearDownEnd(const UnitTest& unit_test) = 0;
+
+  // Fired after each iteration of tests finishes.
+  virtual void OnTestIterationEnd(const UnitTest& unit_test,
+                                  int iteration) = 0;
+
+  // Fired after all test activities have ended.
+  virtual void OnTestProgramEnd(const UnitTest& unit_test) = 0;
+};
+
+// The convenience class for users who need to override just one or two
+// methods and are not concerned that a possible change to a signature of
+// the methods they override will not be caught during the build.  For
+// comments about each method please see the definition of TestEventListener
+// above.
+class EmptyTestEventListener : public TestEventListener {
+ public:
+  virtual void OnTestProgramStart(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestIterationStart(const UnitTest& /*unit_test*/,
+                                    int /*iteration*/) {}
+  virtual void OnEnvironmentsSetUpStart(const UnitTest& /*unit_test*/) {}
+  virtual void OnEnvironmentsSetUpEnd(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestCaseStart(const TestCase& /*test_case*/) {}
+  virtual void OnTestStart(const TestInfo& /*test_info*/) {}
+  virtual void OnTestPartResult(const TestPartResult& /*test_part_result*/) {}
+  virtual void OnTestEnd(const TestInfo& /*test_info*/) {}
+  virtual void OnTestCaseEnd(const TestCase& /*test_case*/) {}
+  virtual void OnEnvironmentsTearDownStart(const UnitTest& /*unit_test*/) {}
+  virtual void OnEnvironmentsTearDownEnd(const UnitTest& /*unit_test*/) {}
+  virtual void OnTestIterationEnd(const UnitTest& /*unit_test*/,
+                                  int /*iteration*/) {}
+  virtual void OnTestProgramEnd(const UnitTest& /*unit_test*/) {}
+};
+
+// TestEventListeners lets users add listeners to track events in Google Test.
+class GTEST_API_ TestEventListeners {
+ public:
+  TestEventListeners();
+  ~TestEventListeners();
+
+  // Appends an event listener to the end of the list. Google Test assumes
+  // the ownership of the listener (i.e. it will delete the listener when
+  // the test program finishes).
+  void Append(TestEventListener* listener);
+
+  // Removes the given event listener from the list and returns it.  It then
+  // becomes the caller's responsibility to delete the listener. Returns
+  // NULL if the listener is not found in the list.
+  TestEventListener* Release(TestEventListener* listener);
+
+  // Returns the standard listener responsible for the default console
+  // output.  Can be removed from the listeners list to shut down default
+  // console output.  Note that removing this object from the listener list
+  // with Release transfers its ownership to the caller and makes this
+  // function return NULL the next time.
+  TestEventListener* default_result_printer() const {
+    return default_result_printer_;
+  }
+
+  // Returns the standard listener responsible for the default XML output
+  // controlled by the --gtest_output=xml flag.  Can be removed from the
+  // listeners list by users who want to shut down the default XML output
+  // controlled by this flag and substitute it with custom one.  Note that
+  // removing this object from the listener list with Release transfers its
+  // ownership to the caller and makes this function return NULL the next
+  // time.
+  TestEventListener* default_xml_generator() const {
+    return default_xml_generator_;
+  }
+
+ private:
+  friend class TestCase;
+  friend class TestInfo;
+  friend class internal::DefaultGlobalTestPartResultReporter;
+  friend class internal::NoExecDeathTest;
+  friend class internal::TestEventListenersAccessor;
+  friend class internal::UnitTestImpl;
+
+  // Returns repeater that broadcasts the TestEventListener events to all
+  // subscribers.
+  TestEventListener* repeater();
+
+  // Sets the default_result_printer attribute to the provided listener.
+  // The listener is also added to the listener list and previous
+  // default_result_printer is removed from it and deleted. The listener can
+  // also be NULL in which case it will not be added to the list. Does
+  // nothing if the previous and the current listener objects are the same.
+  void SetDefaultResultPrinter(TestEventListener* listener);
+
+  // Sets the default_xml_generator attribute to the provided listener.  The
+  // listener is also added to the listener list and previous
+  // default_xml_generator is removed from it and deleted. The listener can
+  // also be NULL in which case it will not be added to the list. Does
+  // nothing if the previous and the current listener objects are the same.
+  void SetDefaultXmlGenerator(TestEventListener* listener);
+
+  // Controls whether events will be forwarded by the repeater to the
+  // listeners in the list.
+  bool EventForwardingEnabled() const;
+  void SuppressEventForwarding();
+
+  // The actual list of listeners.
+  internal::TestEventRepeater* repeater_;
+  // Listener responsible for the standard result output.
+  TestEventListener* default_result_printer_;
+  // Listener responsible for the creation of the XML output file.
+  TestEventListener* default_xml_generator_;
+
+  // We disallow copying TestEventListeners.
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestEventListeners);
+};
+
+// A UnitTest consists of a vector of TestCases.
+//
+// This is a singleton class.  The only instance of UnitTest is
+// created when UnitTest::GetInstance() is first called.  This
+// instance is never deleted.
+//
+// UnitTest is not copyable.
+//
+// This class is thread-safe as long as the methods are called
+// according to their specification.
+class GTEST_API_ UnitTest {
+ public:
+  // Gets the singleton UnitTest object.  The first time this method
+  // is called, a UnitTest object is constructed and returned.
+  // Consecutive calls will return the same object.
+  static UnitTest* GetInstance();
+
+  // Runs all tests in this UnitTest object and prints the result.
+  // Returns 0 if successful, or 1 otherwise.
+  //
+  // This method can only be called from the main thread.
+  //
+  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+  int Run() GTEST_MUST_USE_RESULT_;
+
+  // Returns the working directory when the first TEST() or TEST_F()
+  // was executed.  The UnitTest object owns the string.
+  const char* original_working_dir() const;
+
+  // Returns the TestCase object for the test that's currently running,
+  // or NULL if no test is running.
+  const TestCase* current_test_case() const
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // Returns the TestInfo object for the test that's currently running,
+  // or NULL if no test is running.
+  const TestInfo* current_test_info() const
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // Returns the random seed used at the start of the current test run.
+  int random_seed() const;
+
+#if GTEST_HAS_PARAM_TEST
+  // Returns the ParameterizedTestCaseRegistry object used to keep track of
+  // value-parameterized tests and instantiate and register them.
+  //
+  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+  internal::ParameterizedTestCaseRegistry& parameterized_test_registry()
+      GTEST_LOCK_EXCLUDED_(mutex_);
+#endif  // GTEST_HAS_PARAM_TEST
+
+  // Gets the number of successful test cases.
+  int successful_test_case_count() const;
+
+  // Gets the number of failed test cases.
+  int failed_test_case_count() const;
+
+  // Gets the number of all test cases.
+  int total_test_case_count() const;
+
+  // Gets the number of all test cases that contain at least one test
+  // that should run.
+  int test_case_to_run_count() const;
+
+  // Gets the number of successful tests.
+  int successful_test_count() const;
+
+  // Gets the number of failed tests.
+  int failed_test_count() const;
+
+  // Gets the number of disabled tests that will be reported in the XML report.
+  int reportable_disabled_test_count() const;
+
+  // Gets the number of disabled tests.
+  int disabled_test_count() const;
+
+  // Gets the number of tests to be printed in the XML report.
+  int reportable_test_count() const;
+
+  // Gets the number of all tests.
+  int total_test_count() const;
+
+  // Gets the number of tests that should run.
+  int test_to_run_count() const;
+
+  // Gets the time of the test program start, in ms from the start of the
+  // UNIX epoch.
+  TimeInMillis start_timestamp() const;
+
+  // Gets the elapsed time, in milliseconds.
+  TimeInMillis elapsed_time() const;
+
+  // Returns true iff the unit test passed (i.e. all test cases passed).
+  bool Passed() const;
+
+  // Returns true iff the unit test failed (i.e. some test case failed
+  // or something outside of all tests failed).
+  bool Failed() const;
+
+  // Gets the i-th test case among all the test cases. i can range from 0 to
+  // total_test_case_count() - 1. If i is not in that range, returns NULL.
+  const TestCase* GetTestCase(int i) const;
+
+  // Returns the TestResult containing information on test failures and
+  // properties logged outside of individual test cases.
+  const TestResult& ad_hoc_test_result() const;
+
+  // Returns the list of event listeners that can be used to track events
+  // inside Google Test.
+  TestEventListeners& listeners();
+
+ private:
+  // Registers and returns a global test environment.  When a test
+  // program is run, all global test environments will be set-up in
+  // the order they were registered.  After all tests in the program
+  // have finished, all global test environments will be torn-down in
+  // the *reverse* order they were registered.
+  //
+  // The UnitTest object takes ownership of the given environment.
+  //
+  // This method can only be called from the main thread.
+  Environment* AddEnvironment(Environment* env);
+
+  // Adds a TestPartResult to the current TestResult object.  All
+  // Google Test assertion macros (e.g. ASSERT_TRUE, EXPECT_EQ, etc)
+  // eventually call this to report their results.  The user code
+  // should use the assertion macros instead of calling this directly.
+  void AddTestPartResult(TestPartResult::Type result_type,
+                         const char* file_name,
+                         int line_number,
+                         const std::string& message,
+                         const std::string& os_stack_trace)
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // Adds a TestProperty to the current TestResult object when invoked from
+  // inside a test, to current TestCase's ad_hoc_test_result_ when invoked
+  // from SetUpTestCase or TearDownTestCase, or to the global property set
+  // when invoked elsewhere.  If the result already contains a property with
+  // the same key, the value will be updated.
+  void RecordProperty(const std::string& key, const std::string& value);
+
+  // Gets the i-th test case among all the test cases. i can range from 0 to
+  // total_test_case_count() - 1. If i is not in that range, returns NULL.
+  TestCase* GetMutableTestCase(int i);
+
+  // Accessors for the implementation object.
+  internal::UnitTestImpl* impl() { return impl_; }
+  const internal::UnitTestImpl* impl() const { return impl_; }
+
+  // These classes and funcions are friends as they need to access private
+  // members of UnitTest.
+  friend class Test;
+  friend class internal::AssertHelper;
+  friend class internal::ScopedTrace;
+  friend class internal::StreamingListenerTest;
+  friend class internal::UnitTestRecordPropertyTestHelper;
+  friend Environment* AddGlobalTestEnvironment(Environment* env);
+  friend internal::UnitTestImpl* internal::GetUnitTestImpl();
+  friend void internal::ReportFailureInUnknownLocation(
+      TestPartResult::Type result_type,
+      const std::string& message);
+
+  // Creates an empty UnitTest.
+  UnitTest();
+
+  // D'tor
+  virtual ~UnitTest();
+
+  // Pushes a trace defined by SCOPED_TRACE() on to the per-thread
+  // Google Test trace stack.
+  void PushGTestTrace(const internal::TraceInfo& trace)
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // Pops a trace from the per-thread Google Test trace stack.
+  void PopGTestTrace()
+      GTEST_LOCK_EXCLUDED_(mutex_);
+
+  // Protects mutable state in *impl_.  This is mutable as some const
+  // methods need to lock it too.
+  mutable internal::Mutex mutex_;
+
+  // Opaque implementation object.  This field is never changed once
+  // the object is constructed.  We don't mark it as const here, as
+  // doing so will cause a warning in the constructor of UnitTest.
+  // Mutable state in *impl_ is protected by mutex_.
+  internal::UnitTestImpl* impl_;
+
+  // We disallow copying UnitTest.
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(UnitTest);
+};
+
+// A convenient wrapper for adding an environment for the test
+// program.
+//
+// You should call this before RUN_ALL_TESTS() is called, probably in
+// main().  If you use gtest_main, you need to call this before main()
+// starts for it to take effect.  For example, you can define a global
+// variable like this:
+//
+//   testing::Environment* const foo_env =
+//       testing::AddGlobalTestEnvironment(new FooEnvironment);
+//
+// However, we strongly recommend you to write your own main() and
+// call AddGlobalTestEnvironment() there, as relying on initialization
+// of global variables makes the code harder to read and may cause
+// problems when you register multiple environments from different
+// translation units and the environments have dependencies among them
+// (remember that the compiler doesn't guarantee the order in which
+// global variables from different translation units are initialized).
+inline Environment* AddGlobalTestEnvironment(Environment* env) {
+  return UnitTest::GetInstance()->AddEnvironment(env);
+}
+
+// Initializes Google Test.  This must be called before calling
+// RUN_ALL_TESTS().  In particular, it parses a command line for the
+// flags that Google Test recognizes.  Whenever a Google Test flag is
+// seen, it is removed from argv, and *argc is decremented.
+//
+// No value is returned.  Instead, the Google Test flag variables are
+// updated.
+//
+// Calling the function for the second time has no user-visible effect.
+GTEST_API_ void InitGoogleTest(int* argc, char** argv);
+
+// This overloaded version can be used in Windows programs compiled in
+// UNICODE mode.
+GTEST_API_ void InitGoogleTest(int* argc, wchar_t** argv);
+
+namespace internal {
+
+// FormatForComparison<ToPrint, OtherOperand>::Format(value) formats a
+// value of type ToPrint that is an operand of a comparison assertion
+// (e.g. ASSERT_EQ).  OtherOperand is the type of the other operand in
+// the comparison, and is used to help determine the best way to
+// format the value.  In particular, when the value is a C string
+// (char pointer) and the other operand is an STL string object, we
+// want to format the C string as a string, since we know it is
+// compared by value with the string object.  If the value is a char
+// pointer but the other operand is not an STL string object, we don't
+// know whether the pointer is supposed to point to a NUL-terminated
+// string, and thus want to print it as a pointer to be safe.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+
+// The default case.
+template <typename ToPrint, typename OtherOperand>
+class FormatForComparison {
+ public:
+  static ::std::string Format(const ToPrint& value) {
+    return ::testing::PrintToString(value);
+  }
+};
+
+// Array.
+template <typename ToPrint, size_t N, typename OtherOperand>
+class FormatForComparison<ToPrint[N], OtherOperand> {
+ public:
+  static ::std::string Format(const ToPrint* value) {
+    return FormatForComparison<const ToPrint*, OtherOperand>::Format(value);
+  }
+};
+
+// By default, print C string as pointers to be safe, as we don't know
+// whether they actually point to a NUL-terminated string.
+
+#define GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(CharType)                \
+  template <typename OtherOperand>                                      \
+  class FormatForComparison<CharType*, OtherOperand> {                  \
+   public:                                                              \
+    static ::std::string Format(CharType* value) {                      \
+      return ::testing::PrintToString(static_cast<const void*>(value)); \
+    }                                                                   \
+  }
+
+GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(char);
+GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(const char);
+GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(wchar_t);
+GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(const wchar_t);
+
+#undef GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_
+
+// If a C string is compared with an STL string object, we know it's meant
+// to point to a NUL-terminated string, and thus can print it as a string.
+
+#define GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(CharType, OtherStringType) \
+  template <>                                                           \
+  class FormatForComparison<CharType*, OtherStringType> {               \
+   public:                                                              \
+    static ::std::string Format(CharType* value) {                      \
+      return ::testing::PrintToString(value);                           \
+    }                                                                   \
+  }
+
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(char, ::std::string);
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const char, ::std::string);
+
+#if GTEST_HAS_GLOBAL_STRING
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(char, ::string);
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const char, ::string);
+#endif
+
+#if GTEST_HAS_GLOBAL_WSTRING
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(wchar_t, ::wstring);
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const wchar_t, ::wstring);
+#endif
+
+#if GTEST_HAS_STD_WSTRING
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(wchar_t, ::std::wstring);
+GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const wchar_t, ::std::wstring);
+#endif
+
+#undef GTEST_IMPL_FORMAT_C_STRING_AS_STRING_
+
+// Formats a comparison assertion (e.g. ASSERT_EQ, EXPECT_LT, and etc)
+// operand to be used in a failure message.  The type (but not value)
+// of the other operand may affect the format.  This allows us to
+// print a char* as a raw pointer when it is compared against another
+// char* or void*, and print it as a C string when it is compared
+// against an std::string object, for example.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+template <typename T1, typename T2>
+std::string FormatForComparisonFailureMessage(
+    const T1& value, const T2& /* other_operand */) {
+  return FormatForComparison<T1, T2>::Format(value);
+}
+
+// The helper function for {ASSERT|EXPECT}_EQ.
+template <typename T1, typename T2>
+AssertionResult CmpHelperEQ(const char* expected_expression,
+                            const char* actual_expression,
+                            const T1& expected,
+                            const T2& actual) {
+#ifdef _MSC_VER
+# pragma warning(push)          // Saves the current warning state.
+# pragma warning(disable:4389)  // Temporarily disables warning on
+                                // signed/unsigned mismatch.
+#endif
+
+  if (expected == actual) {
+    return AssertionSuccess();
+  }
+
+#ifdef _MSC_VER
+# pragma warning(pop)          // Restores the warning state.
+#endif
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   FormatForComparisonFailureMessage(expected, actual),
+                   FormatForComparisonFailureMessage(actual, expected),
+                   false);
+}
+
+// With this overloaded version, we allow anonymous enums to be used
+// in {ASSERT|EXPECT}_EQ when compiled with gcc 4, as anonymous enums
+// can be implicitly cast to BiggestInt.
+GTEST_API_ AssertionResult CmpHelperEQ(const char* expected_expression,
+                                       const char* actual_expression,
+                                       BiggestInt expected,
+                                       BiggestInt actual);
+
+// The helper class for {ASSERT|EXPECT}_EQ.  The template argument
+// lhs_is_null_literal is true iff the first argument to ASSERT_EQ()
+// is a null pointer literal.  The following default implementation is
+// for lhs_is_null_literal being false.
+template <bool lhs_is_null_literal>
+class EqHelper {
+ public:
+  // This templatized version is for the general case.
+  template <typename T1, typename T2>
+  static AssertionResult Compare(const char* expected_expression,
+                                 const char* actual_expression,
+                                 const T1& expected,
+                                 const T2& actual) {
+    return CmpHelperEQ(expected_expression, actual_expression, expected,
+                       actual);
+  }
+
+  // With this overloaded version, we allow anonymous enums to be used
+  // in {ASSERT|EXPECT}_EQ when compiled with gcc 4, as anonymous
+  // enums can be implicitly cast to BiggestInt.
+  //
+  // Even though its body looks the same as the above version, we
+  // cannot merge the two, as it will make anonymous enums unhappy.
+  static AssertionResult Compare(const char* expected_expression,
+                                 const char* actual_expression,
+                                 BiggestInt expected,
+                                 BiggestInt actual) {
+    return CmpHelperEQ(expected_expression, actual_expression, expected,
+                       actual);
+  }
+};
+
+// This specialization is used when the first argument to ASSERT_EQ()
+// is a null pointer literal, like NULL, false, or 0.
+template <>
+class EqHelper<true> {
+ public:
+  // We define two overloaded versions of Compare().  The first
+  // version will be picked when the second argument to ASSERT_EQ() is
+  // NOT a pointer, e.g. ASSERT_EQ(0, AnIntFunction()) or
+  // EXPECT_EQ(false, a_bool).
+  template <typename T1, typename T2>
+  static AssertionResult Compare(
+      const char* expected_expression,
+      const char* actual_expression,
+      const T1& expected,
+      const T2& actual,
+      // The following line prevents this overload from being considered if T2
+      // is not a pointer type.  We need this because ASSERT_EQ(NULL, my_ptr)
+      // expands to Compare("", "", NULL, my_ptr), which requires a conversion
+      // to match the Secret* in the other overload, which would otherwise make
+      // this template match better.
+      typename EnableIf<!is_pointer<T2>::value>::type* = 0) {
+    return CmpHelperEQ(expected_expression, actual_expression, expected,
+                       actual);
+  }
+
+  // This version will be picked when the second argument to ASSERT_EQ() is a
+  // pointer, e.g. ASSERT_EQ(NULL, a_pointer).
+  template <typename T>
+  static AssertionResult Compare(
+      const char* expected_expression,
+      const char* actual_expression,
+      // We used to have a second template parameter instead of Secret*.  That
+      // template parameter would deduce to 'long', making this a better match
+      // than the first overload even without the first overload's EnableIf.
+      // Unfortunately, gcc with -Wconversion-null warns when "passing NULL to
+      // non-pointer argument" (even a deduced integral argument), so the old
+      // implementation caused warnings in user code.
+      Secret* /* expected (NULL) */,
+      T* actual) {
+    // We already know that 'expected' is a null pointer.
+    return CmpHelperEQ(expected_expression, actual_expression,
+                       static_cast<T*>(NULL), actual);
+  }
+};
+
+// A macro for implementing the helper functions needed to implement
+// ASSERT_?? and EXPECT_??.  It is here just to avoid copy-and-paste
+// of similar code.
+//
+// For each templatized helper function, we also define an overloaded
+// version for BiggestInt in order to reduce code bloat and allow
+// anonymous enums to be used with {ASSERT|EXPECT}_?? when compiled
+// with gcc 4.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+#define GTEST_IMPL_CMP_HELPER_(op_name, op)\
+template <typename T1, typename T2>\
+AssertionResult CmpHelper##op_name(const char* expr1, const char* expr2, \
+                                   const T1& val1, const T2& val2) {\
+  if (val1 op val2) {\
+    return AssertionSuccess();\
+  } else {\
+    return AssertionFailure() \
+        << "Expected: (" << expr1 << ") " #op " (" << expr2\
+        << "), actual: " << FormatForComparisonFailureMessage(val1, val2)\
+        << " vs " << FormatForComparisonFailureMessage(val2, val1);\
+  }\
+}\
+GTEST_API_ AssertionResult CmpHelper##op_name(\
+    const char* expr1, const char* expr2, BiggestInt val1, BiggestInt val2)
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+
+// Implements the helper function for {ASSERT|EXPECT}_NE
+GTEST_IMPL_CMP_HELPER_(NE, !=);
+// Implements the helper function for {ASSERT|EXPECT}_LE
+GTEST_IMPL_CMP_HELPER_(LE, <=);
+// Implements the helper function for {ASSERT|EXPECT}_LT
+GTEST_IMPL_CMP_HELPER_(LT, <);
+// Implements the helper function for {ASSERT|EXPECT}_GE
+GTEST_IMPL_CMP_HELPER_(GE, >=);
+// Implements the helper function for {ASSERT|EXPECT}_GT
+GTEST_IMPL_CMP_HELPER_(GT, >);
+
+#undef GTEST_IMPL_CMP_HELPER_
+
+// The helper function for {ASSERT|EXPECT}_STREQ.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTREQ(const char* expected_expression,
+                                          const char* actual_expression,
+                                          const char* expected,
+                                          const char* actual);
+
+// The helper function for {ASSERT|EXPECT}_STRCASEEQ.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTRCASEEQ(const char* expected_expression,
+                                              const char* actual_expression,
+                                              const char* expected,
+                                              const char* actual);
+
+// The helper function for {ASSERT|EXPECT}_STRNE.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTRNE(const char* s1_expression,
+                                          const char* s2_expression,
+                                          const char* s1,
+                                          const char* s2);
+
+// The helper function for {ASSERT|EXPECT}_STRCASENE.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTRCASENE(const char* s1_expression,
+                                              const char* s2_expression,
+                                              const char* s1,
+                                              const char* s2);
+
+
+// Helper function for *_STREQ on wide strings.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTREQ(const char* expected_expression,
+                                          const char* actual_expression,
+                                          const wchar_t* expected,
+                                          const wchar_t* actual);
+
+// Helper function for *_STRNE on wide strings.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult CmpHelperSTRNE(const char* s1_expression,
+                                          const char* s2_expression,
+                                          const wchar_t* s1,
+                                          const wchar_t* s2);
+
+}  // namespace internal
+
+// IsSubstring() and IsNotSubstring() are intended to be used as the
+// first argument to {EXPECT,ASSERT}_PRED_FORMAT2(), not by
+// themselves.  They check whether needle is a substring of haystack
+// (NULL is considered a substring of itself only), and return an
+// appropriate error message when they fail.
+//
+// The {needle,haystack}_expr arguments are the stringified
+// expressions that generated the two real arguments.
+GTEST_API_ AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const char* needle, const char* haystack);
+GTEST_API_ AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const wchar_t* needle, const wchar_t* haystack);
+GTEST_API_ AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const char* needle, const char* haystack);
+GTEST_API_ AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const wchar_t* needle, const wchar_t* haystack);
+GTEST_API_ AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::string& needle, const ::std::string& haystack);
+GTEST_API_ AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::string& needle, const ::std::string& haystack);
+
+#if GTEST_HAS_STD_WSTRING
+GTEST_API_ AssertionResult IsSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::wstring& needle, const ::std::wstring& haystack);
+GTEST_API_ AssertionResult IsNotSubstring(
+    const char* needle_expr, const char* haystack_expr,
+    const ::std::wstring& needle, const ::std::wstring& haystack);
+#endif  // GTEST_HAS_STD_WSTRING
+
+namespace internal {
+
+// Helper template function for comparing floating-points.
+//
+// Template parameter:
+//
+//   RawType: the raw floating-point type (either float or double)
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+template <typename RawType>
+AssertionResult CmpHelperFloatingPointEQ(const char* expected_expression,
+                                         const char* actual_expression,
+                                         RawType expected,
+                                         RawType actual) {
+  const FloatingPoint<RawType> lhs(expected), rhs(actual);
+
+  if (lhs.AlmostEquals(rhs)) {
+    return AssertionSuccess();
+  }
+
+  ::std::stringstream expected_ss;
+  expected_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
+              << expected;
+
+  ::std::stringstream actual_ss;
+  actual_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
+            << actual;
+
+  return EqFailure(expected_expression,
+                   actual_expression,
+                   StringStreamToString(&expected_ss),
+                   StringStreamToString(&actual_ss),
+                   false);
+}
+
+// Helper function for implementing ASSERT_NEAR.
+//
+// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
+GTEST_API_ AssertionResult DoubleNearPredFormat(const char* expr1,
+                                                const char* expr2,
+                                                const char* abs_error_expr,
+                                                double val1,
+                                                double val2,
+                                                double abs_error);
+
+// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
+// A class that enables one to stream messages to assertion macros
+class GTEST_API_ AssertHelper {
+ public:
+  // Constructor.
+  AssertHelper(TestPartResult::Type type,
+               const char* file,
+               int line,
+               const char* message);
+  ~AssertHelper();
+
+  // Message assignment is a semantic trick to enable assertion
+  // streaming; see the GTEST_MESSAGE_ macro below.
+  void operator=(const Message& message) const;
+
+ private:
+  // We put our data in a struct so that the size of the AssertHelper class can
+  // be as small as possible.  This is important because gcc is incapable of
+  // re-using stack space even for temporary variables, so every EXPECT_EQ
+  // reserves stack space for another AssertHelper.
+  struct AssertHelperData {
+    AssertHelperData(TestPartResult::Type t,
+                     const char* srcfile,
+                     int line_num,
+                     const char* msg)
+        : type(t), file(srcfile), line(line_num), message(msg) { }
+
+    TestPartResult::Type const type;
+    const char* const file;
+    int const line;
+    std::string const message;
+
+   private:
+    GTEST_DISALLOW_COPY_AND_ASSIGN_(AssertHelperData);
+  };
+
+  AssertHelperData* const data_;
+
+  GTEST_DISALLOW_COPY_AND_ASSIGN_(AssertHelper);
+};
+
+}  // namespace internal
+
+#if GTEST_HAS_PARAM_TEST
+// The pure interface class that all value-parameterized tests inherit from.
+// A value-parameterized class must inherit from both ::testing::Test and
+// ::testing::WithParamInterface. In most cases that just means inheriting
+// from ::testing::TestWithParam, but more complicated test hierarchies
+// may need to inherit from Test and WithParamInterface at different levels.
+//
+// This interface has support for accessing the test parameter value via
+// the GetParam() method.
+//
+// Use it with one of the parameter generator defining functions, like Range(),
+// Values(), ValuesIn(), Bool(), and Combine().
+//
+// class FooTest : public ::testing::TestWithParam<int> {
+//  protected:
+//   FooTest() {
+//     // Can use GetParam() here.
+//   }
+//   virtual ~FooTest() {
+//     // Can use GetParam() here.
+//   }
+//   virtual void SetUp() {
+//     // Can use GetParam() here.
+//   }
+//   virtual void TearDown {
+//     // Can use GetParam() here.
+//   }
+// };
+// TEST_P(FooTest, DoesBar) {
+//   // Can use GetParam() method here.
+//   Foo foo;
+//   ASSERT_TRUE(foo.DoesBar(GetParam()));
+// }
+// INSTANTIATE_TEST_CASE_P(OneToTenRange, FooTest, ::testing::Range(1, 10));
+
+template <typename T>
+class WithParamInterface {
+ public:
+  typedef T ParamType;
+  virtual ~WithParamInterface() {}
+
+  // The current parameter value. Is also available in the test fixture's
+  // constructor. This member function is non-static, even though it only
+  // references static data, to reduce the opportunity for incorrect uses
+  // like writing 'WithParamInterface<bool>::GetParam()' for a test that
+  // uses a fixture whose parameter type is int.
+  const ParamType& GetParam() const {
+    GTEST_CHECK_(parameter_ != NULL)
+        << "GetParam() can only be called inside a value-parameterized test "
+        << "-- did you intend to write TEST_P instead of TEST_F?";
+    return *parameter_;
+  }
+
+ private:
+  // Sets parameter value. The caller is responsible for making sure the value
+  // remains alive and unchanged throughout the current test.
+  static void SetParam(const ParamType* parameter) {
+    parameter_ = parameter;
+  }
+
+  // Static value used for accessing parameter during a test lifetime.
+  static const ParamType* parameter_;
+
+  // TestClass must be a subclass of WithParamInterface<T> and Test.
+  template <class TestClass> friend class internal::ParameterizedTestFactory;
+};
+
+template <typename T>
+const T* WithParamInterface<T>::parameter_ = NULL;
+
+// Most value-parameterized classes can ignore the existence of
+// WithParamInterface, and can just inherit from ::testing::TestWithParam.
+
+template <typename T>
+class TestWithParam : public Test, public WithParamInterface<T> {
+};
+
+#endif  // GTEST_HAS_PARAM_TEST
+
+// Macros for indicating success/failure in test code.
+
+// ADD_FAILURE unconditionally adds a failure to the current test.
+// SUCCEED generates a success - it doesn't automatically make the
+// current test successful, as a test is only successful when it has
+// no failure.
+//
+// EXPECT_* verifies that a certain condition is satisfied.  If not,
+// it behaves like ADD_FAILURE.  In particular:
+//
+//   EXPECT_TRUE  verifies that a Boolean condition is true.
+//   EXPECT_FALSE verifies that a Boolean condition is false.
+//
+// FAIL and ASSERT_* are similar to ADD_FAILURE and EXPECT_*, except
+// that they will also abort the current function on failure.  People
+// usually want the fail-fast behavior of FAIL and ASSERT_*, but those
+// writing data-driven tests often find themselves using ADD_FAILURE
+// and EXPECT_* more.
+
+// Generates a nonfatal failure with a generic message.
+#define ADD_FAILURE() GTEST_NONFATAL_FAILURE_("Failed")
+
+// Generates a nonfatal failure at the given source file location with
+// a generic message.
+#define ADD_FAILURE_AT(file, line) \
+  GTEST_MESSAGE_AT_(file, line, "Failed", \
+                    ::testing::TestPartResult::kNonFatalFailure)
+
+// Generates a fatal failure with a generic message.
+#define GTEST_FAIL() GTEST_FATAL_FAILURE_("Failed")
+
+// Define this macro to 1 to omit the definition of FAIL(), which is a
+// generic name and clashes with some other libraries.
+#if !GTEST_DONT_DEFINE_FAIL
+# define FAIL() GTEST_FAIL()
+#endif
+
+// Generates a success with a generic message.
+#define GTEST_SUCCEED() GTEST_SUCCESS_("Succeeded")
+
+// Define this macro to 1 to omit the definition of SUCCEED(), which
+// is a generic name and clashes with some other libraries.
+#if !GTEST_DONT_DEFINE_SUCCEED
+# define SUCCEED() GTEST_SUCCEED()
+#endif
+
+// Macros for testing exceptions.
+//
+//    * {ASSERT|EXPECT}_THROW(statement, expected_exception):
+//         Tests that the statement throws the expected exception.
+//    * {ASSERT|EXPECT}_NO_THROW(statement):
+//         Tests that the statement doesn't throw any exception.
+//    * {ASSERT|EXPECT}_ANY_THROW(statement):
+//         Tests that the statement throws an exception.
+
+#define EXPECT_THROW(statement, expected_exception) \
+  GTEST_TEST_THROW_(statement, expected_exception, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_NO_THROW(statement) \
+  GTEST_TEST_NO_THROW_(statement, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_ANY_THROW(statement) \
+  GTEST_TEST_ANY_THROW_(statement, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_THROW(statement, expected_exception) \
+  GTEST_TEST_THROW_(statement, expected_exception, GTEST_FATAL_FAILURE_)
+#define ASSERT_NO_THROW(statement) \
+  GTEST_TEST_NO_THROW_(statement, GTEST_FATAL_FAILURE_)
+#define ASSERT_ANY_THROW(statement) \
+  GTEST_TEST_ANY_THROW_(statement, GTEST_FATAL_FAILURE_)
+
+// Boolean assertions. Condition can be either a Boolean expression or an
+// AssertionResult. For more information on how to use AssertionResult with
+// these macros see comments on that class.
+#define EXPECT_TRUE(condition) \
+  GTEST_TEST_BOOLEAN_(condition, #condition, false, true, \
+                      GTEST_NONFATAL_FAILURE_)
+#define EXPECT_FALSE(condition) \
+  GTEST_TEST_BOOLEAN_(!(condition), #condition, true, false, \
+                      GTEST_NONFATAL_FAILURE_)
+#define ASSERT_TRUE(condition) \
+  GTEST_TEST_BOOLEAN_(condition, #condition, false, true, \
+                      GTEST_FATAL_FAILURE_)
+#define ASSERT_FALSE(condition) \
+  GTEST_TEST_BOOLEAN_(!(condition), #condition, true, false, \
+                      GTEST_FATAL_FAILURE_)
+
+// Includes the auto-generated header that implements a family of
+// generic predicate assertion macros.
+// Copyright 2006, Google Inc.
+// All rights reserved.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+//     * Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//     * Redistributions in binary form must reproduce the above
+// copyright notice, this list of conditions and the following disclaimer
+// in the documentation and/or other materials provided with the
+// distribution.
+//     * Neither the name of Google Inc. nor the names of its
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
+// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
+// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
+// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+
+// This file is AUTOMATICALLY GENERATED on 10/31/2011 by command
+// 'gen_gtest_pred_impl.py 5'.  DO NOT EDIT BY HAND!
+//
+// Implements a family of generic predicate assertion macros.
+
+#ifndef GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
+#define GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
+
+// Makes sure this header is not included before gtest.h.
+#ifndef GTEST_INCLUDE_GTEST_GTEST_H_
+# error Do not include gtest_pred_impl.h directly.  Include gtest.h instead.
+#endif  // GTEST_INCLUDE_GTEST_GTEST_H_
+
+// This header implements a family of generic predicate assertion
+// macros:
+//
+//   ASSERT_PRED_FORMAT1(pred_format, v1)
+//   ASSERT_PRED_FORMAT2(pred_format, v1, v2)
+//   ...
+//
+// where pred_format is a function or functor that takes n (in the
+// case of ASSERT_PRED_FORMATn) values and their source expression
+// text, and returns a testing::AssertionResult.  See the definition
+// of ASSERT_EQ in gtest.h for an example.
+//
+// If you don't care about formatting, you can use the more
+// restrictive version:
+//
+//   ASSERT_PRED1(pred, v1)
+//   ASSERT_PRED2(pred, v1, v2)
+//   ...
+//
+// where pred is an n-ary function or functor that returns bool,
+// and the values v1, v2, ..., must support the << operator for
+// streaming to std::ostream.
+//
+// We also define the EXPECT_* variations.
+//
+// For now we only support predicates whose arity is at most 5.
+// Please email googletestframework@googlegroups.com if you need
+// support for higher arities.
+
+// GTEST_ASSERT_ is the basic statement to which all of the assertions
+// in this file reduce.  Don't use this in your code.
+
+#define GTEST_ASSERT_(expression, on_failure) \
+  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
+  if (const ::testing::AssertionResult gtest_ar = (expression)) \
+    ; \
+  else \
+    on_failure(gtest_ar.failure_message())
+
+
+// Helper function for implementing {EXPECT|ASSERT}_PRED1.  Don't use
+// this in your code.
+template <typename Pred,
+          typename T1>
+AssertionResult AssertPred1Helper(const char* pred_text,
+                                  const char* e1,
+                                  Pred pred,
+                                  const T1& v1) {
+  if (pred(v1)) return AssertionSuccess();
+
+  return AssertionFailure() << pred_text << "("
+                            << e1 << ") evaluates to false, where"
+                            << "\n" << e1 << " evaluates to " << v1;
+}
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT1.
+// Don't use this in your code.
+#define GTEST_PRED_FORMAT1_(pred_format, v1, on_failure)\
+  GTEST_ASSERT_(pred_format(#v1, v1), \
+                on_failure)
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED1.  Don't use
+// this in your code.
+#define GTEST_PRED1_(pred, v1, on_failure)\
+  GTEST_ASSERT_(::testing::AssertPred1Helper(#pred, \
+                                             #v1, \
+                                             pred, \
+                                             v1), on_failure)
+
+// Unary predicate assertion macros.
+#define EXPECT_PRED_FORMAT1(pred_format, v1) \
+  GTEST_PRED_FORMAT1_(pred_format, v1, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_PRED1(pred, v1) \
+  GTEST_PRED1_(pred, v1, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_PRED_FORMAT1(pred_format, v1) \
+  GTEST_PRED_FORMAT1_(pred_format, v1, GTEST_FATAL_FAILURE_)
+#define ASSERT_PRED1(pred, v1) \
+  GTEST_PRED1_(pred, v1, GTEST_FATAL_FAILURE_)
+
+
+
+// Helper function for implementing {EXPECT|ASSERT}_PRED2.  Don't use
+// this in your code.
+template <typename Pred,
+          typename T1,
+          typename T2>
+AssertionResult AssertPred2Helper(const char* pred_text,
+                                  const char* e1,
+                                  const char* e2,
+                                  Pred pred,
+                                  const T1& v1,
+                                  const T2& v2) {
+  if (pred(v1, v2)) return AssertionSuccess();
+
+  return AssertionFailure() << pred_text << "("
+                            << e1 << ", "
+                            << e2 << ") evaluates to false, where"
+                            << "\n" << e1 << " evaluates to " << v1
+                            << "\n" << e2 << " evaluates to " << v2;
+}
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT2.
+// Don't use this in your code.
+#define GTEST_PRED_FORMAT2_(pred_format, v1, v2, on_failure)\
+  GTEST_ASSERT_(pred_format(#v1, #v2, v1, v2), \
+                on_failure)
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED2.  Don't use
+// this in your code.
+#define GTEST_PRED2_(pred, v1, v2, on_failure)\
+  GTEST_ASSERT_(::testing::AssertPred2Helper(#pred, \
+                                             #v1, \
+                                             #v2, \
+                                             pred, \
+                                             v1, \
+                                             v2), on_failure)
+
+// Binary predicate assertion macros.
+#define EXPECT_PRED_FORMAT2(pred_format, v1, v2) \
+  GTEST_PRED_FORMAT2_(pred_format, v1, v2, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_PRED2(pred, v1, v2) \
+  GTEST_PRED2_(pred, v1, v2, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_PRED_FORMAT2(pred_format, v1, v2) \
+  GTEST_PRED_FORMAT2_(pred_format, v1, v2, GTEST_FATAL_FAILURE_)
+#define ASSERT_PRED2(pred, v1, v2) \
+  GTEST_PRED2_(pred, v1, v2, GTEST_FATAL_FAILURE_)
+
+
+
+// Helper function for implementing {EXPECT|ASSERT}_PRED3.  Don't use
+// this in your code.
+template <typename Pred,
+          typename T1,
+          typename T2,
+          typename T3>
+AssertionResult AssertPred3Helper(const char* pred_text,
+                                  const char* e1,
+                                  const char* e2,
+                                  const char* e3,
+                                  Pred pred,
+                                  const T1& v1,
+                                  const T2& v2,
+                                  const T3& v3) {
+  if (pred(v1, v2, v3)) return AssertionSuccess();
+
+  return AssertionFailure() << pred_text << "("
+                            << e1 << ", "
+                            << e2 << ", "
+                            << e3 << ") evaluates to false, where"
+                            << "\n" << e1 << " evaluates to " << v1
+                            << "\n" << e2 << " evaluates to " << v2
+                            << "\n" << e3 << " evaluates to " << v3;
+}
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT3.
+// Don't use this in your code.
+#define GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, on_failure)\
+  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, v1, v2, v3), \
+                on_failure)
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED3.  Don't use
+// this in your code.
+#define GTEST_PRED3_(pred, v1, v2, v3, on_failure)\
+  GTEST_ASSERT_(::testing::AssertPred3Helper(#pred, \
+                                             #v1, \
+                                             #v2, \
+                                             #v3, \
+                                             pred, \
+                                             v1, \
+                                             v2, \
+                                             v3), on_failure)
+
+// Ternary predicate assertion macros.
+#define EXPECT_PRED_FORMAT3(pred_format, v1, v2, v3) \
+  GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_PRED3(pred, v1, v2, v3) \
+  GTEST_PRED3_(pred, v1, v2, v3, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_PRED_FORMAT3(pred_format, v1, v2, v3) \
+  GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, GTEST_FATAL_FAILURE_)
+#define ASSERT_PRED3(pred, v1, v2, v3) \
+  GTEST_PRED3_(pred, v1, v2, v3, GTEST_FATAL_FAILURE_)
+
+
+
+// Helper function for implementing {EXPECT|ASSERT}_PRED4.  Don't use
+// this in your code.
+template <typename Pred,
+          typename T1,
+          typename T2,
+          typename T3,
+          typename T4>
+AssertionResult AssertPred4Helper(const char* pred_text,
+                                  const char* e1,
+                                  const char* e2,
+                                  const char* e3,
+                                  const char* e4,
+                                  Pred pred,
+                                  const T1& v1,
+                                  const T2& v2,
+                                  const T3& v3,
+                                  const T4& v4) {
+  if (pred(v1, v2, v3, v4)) return AssertionSuccess();
+
+  return AssertionFailure() << pred_text << "("
+                            << e1 << ", "
+                            << e2 << ", "
+                            << e3 << ", "
+                            << e4 << ") evaluates to false, where"
+                            << "\n" << e1 << " evaluates to " << v1
+                            << "\n" << e2 << " evaluates to " << v2
+                            << "\n" << e3 << " evaluates to " << v3
+                            << "\n" << e4 << " evaluates to " << v4;
+}
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT4.
+// Don't use this in your code.
+#define GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, on_failure)\
+  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, #v4, v1, v2, v3, v4), \
+                on_failure)
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED4.  Don't use
+// this in your code.
+#define GTEST_PRED4_(pred, v1, v2, v3, v4, on_failure)\
+  GTEST_ASSERT_(::testing::AssertPred4Helper(#pred, \
+                                             #v1, \
+                                             #v2, \
+                                             #v3, \
+                                             #v4, \
+                                             pred, \
+                                             v1, \
+                                             v2, \
+                                             v3, \
+                                             v4), on_failure)
+
+// 4-ary predicate assertion macros.
+#define EXPECT_PRED_FORMAT4(pred_format, v1, v2, v3, v4) \
+  GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_PRED4(pred, v1, v2, v3, v4) \
+  GTEST_PRED4_(pred, v1, v2, v3, v4, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_PRED_FORMAT4(pred_format, v1, v2, v3, v4) \
+  GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, GTEST_FATAL_FAILURE_)
+#define ASSERT_PRED4(pred, v1, v2, v3, v4) \
+  GTEST_PRED4_(pred, v1, v2, v3, v4, GTEST_FATAL_FAILURE_)
+
+
+
+// Helper function for implementing {EXPECT|ASSERT}_PRED5.  Don't use
+// this in your code.
+template <typename Pred,
+          typename T1,
+          typename T2,
+          typename T3,
+          typename T4,
+          typename T5>
+AssertionResult AssertPred5Helper(const char* pred_text,
+                                  const char* e1,
+                                  const char* e2,
+                                  const char* e3,
+                                  const char* e4,
+                                  const char* e5,
+                                  Pred pred,
+                                  const T1& v1,
+                                  const T2& v2,
+                                  const T3& v3,
+                                  const T4& v4,
+                                  const T5& v5) {
+  if (pred(v1, v2, v3, v4, v5)) return AssertionSuccess();
+
+  return AssertionFailure() << pred_text << "("
+                            << e1 << ", "
+                            << e2 << ", "
+                            << e3 << ", "
+                            << e4 << ", "
+                            << e5 << ") evaluates to false, where"
+                            << "\n" << e1 << " evaluates to " << v1
+                            << "\n" << e2 << " evaluates to " << v2
+                            << "\n" << e3 << " evaluates to " << v3
+                            << "\n" << e4 << " evaluates to " << v4
+                            << "\n" << e5 << " evaluates to " << v5;
+}
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT5.
+// Don't use this in your code.
+#define GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, on_failure)\
+  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, #v4, #v5, v1, v2, v3, v4, v5), \
+                on_failure)
+
+// Internal macro for implementing {EXPECT|ASSERT}_PRED5.  Don't use
+// this in your code.
+#define GTEST_PRED5_(pred, v1, v2, v3, v4, v5, on_failure)\
+  GTEST_ASSERT_(::testing::AssertPred5Helper(#pred, \
+                                             #v1, \
+                                             #v2, \
+                                             #v3, \
+                                             #v4, \
+                                             #v5, \
+                                             pred, \
+                                             v1, \
+                                             v2, \
+                                             v3, \
+                                             v4, \
+                                             v5), on_failure)
+
+// 5-ary predicate assertion macros.
+#define EXPECT_PRED_FORMAT5(pred_format, v1, v2, v3, v4, v5) \
+  GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, GTEST_NONFATAL_FAILURE_)
+#define EXPECT_PRED5(pred, v1, v2, v3, v4, v5) \
+  GTEST_PRED5_(pred, v1, v2, v3, v4, v5, GTEST_NONFATAL_FAILURE_)
+#define ASSERT_PRED_FORMAT5(pred_format, v1, v2, v3, v4, v5) \
+  GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, GTEST_FATAL_FAILURE_)
+#define ASSERT_PRED5(pred, v1, v2, v3, v4, v5) \
+  GTEST_PRED5_(pred, v1, v2, v3, v4, v5, GTEST_FATAL_FAILURE_)
+
+
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
+
+// Macros for testing equalities and inequalities.
+//
+//    * {ASSERT|EXPECT}_EQ(expected, actual): Tests that expected == actual
+//    * {ASSERT|EXPECT}_NE(v1, v2):           Tests that v1 != v2
+//    * {ASSERT|EXPECT}_LT(v1, v2):           Tests that v1 < v2
+//    * {ASSERT|EXPECT}_LE(v1, v2):           Tests that v1 <= v2
+//    * {ASSERT|EXPECT}_GT(v1, v2):           Tests that v1 > v2
+//    * {ASSERT|EXPECT}_GE(v1, v2):           Tests that v1 >= v2
+//
+// When they are not, Google Test prints both the tested expressions and
+// their actual values.  The values must be compatible built-in types,
+// or you will get a compiler error.  By "compatible" we mean that the
+// values can be compared by the respective operator.
+//
+// Note:
+//
+//   1. It is possible to make a user-defined type work with
+//   {ASSERT|EXPECT}_??(), but that requires overloading the
+//   comparison operators and is thus discouraged by the Google C++
+//   Usage Guide.  Therefore, you are advised to use the
+//   {ASSERT|EXPECT}_TRUE() macro to assert that two objects are
+//   equal.
+//
+//   2. The {ASSERT|EXPECT}_??() macros do pointer comparisons on
+//   pointers (in particular, C strings).  Therefore, if you use it
+//   with two C strings, you are testing how their locations in memory
+//   are related, not how their content is related.  To compare two C
+//   strings by content, use {ASSERT|EXPECT}_STR*().
+//
+//   3. {ASSERT|EXPECT}_EQ(expected, actual) is preferred to
+//   {ASSERT|EXPECT}_TRUE(expected == actual), as the former tells you
+//   what the actual value is when it fails, and similarly for the
+//   other comparisons.
+//
+//   4. Do not depend on the order in which {ASSERT|EXPECT}_??()
+//   evaluate their arguments, which is undefined.
+//
+//   5. These macros evaluate their arguments exactly once.
+//
+// Examples:
+//
+//   EXPECT_NE(5, Foo());
+//   EXPECT_EQ(NULL, a_pointer);
+//   ASSERT_LT(i, array_size);
+//   ASSERT_GT(records.size(), 0) << "There is no record left.";
+
+#define EXPECT_EQ(expected, actual) \
+  EXPECT_PRED_FORMAT2(::testing::internal:: \
+                      EqHelper<GTEST_IS_NULL_LITERAL_(expected)>::Compare, \
+                      expected, actual)
+#define EXPECT_NE(expected, actual) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperNE, expected, actual)
+#define EXPECT_LE(val1, val2) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperLE, val1, val2)
+#define EXPECT_LT(val1, val2) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperLT, val1, val2)
+#define EXPECT_GE(val1, val2) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperGE, val1, val2)
+#define EXPECT_GT(val1, val2) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperGT, val1, val2)
+
+#define GTEST_ASSERT_EQ(expected, actual) \
+  ASSERT_PRED_FORMAT2(::testing::internal:: \
+                      EqHelper<GTEST_IS_NULL_LITERAL_(expected)>::Compare, \
+                      expected, actual)
+#define GTEST_ASSERT_NE(val1, val2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperNE, val1, val2)
+#define GTEST_ASSERT_LE(val1, val2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperLE, val1, val2)
+#define GTEST_ASSERT_LT(val1, val2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperLT, val1, val2)
+#define GTEST_ASSERT_GE(val1, val2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperGE, val1, val2)
+#define GTEST_ASSERT_GT(val1, val2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperGT, val1, val2)
+
+// Define macro GTEST_DONT_DEFINE_ASSERT_XY to 1 to omit the definition of
+// ASSERT_XY(), which clashes with some users' own code.
+
+#if !GTEST_DONT_DEFINE_ASSERT_EQ
+# define ASSERT_EQ(val1, val2) GTEST_ASSERT_EQ(val1, val2)
+#endif
+
+#if !GTEST_DONT_DEFINE_ASSERT_NE
+# define ASSERT_NE(val1, val2) GTEST_ASSERT_NE(val1, val2)
+#endif
+
+#if !GTEST_DONT_DEFINE_ASSERT_LE
+# define ASSERT_LE(val1, val2) GTEST_ASSERT_LE(val1, val2)
+#endif
+
+#if !GTEST_DONT_DEFINE_ASSERT_LT
+# define ASSERT_LT(val1, val2) GTEST_ASSERT_LT(val1, val2)
+#endif
+
+#if !GTEST_DONT_DEFINE_ASSERT_GE
+# define ASSERT_GE(val1, val2) GTEST_ASSERT_GE(val1, val2)
+#endif
+
+#if !GTEST_DONT_DEFINE_ASSERT_GT
+# define ASSERT_GT(val1, val2) GTEST_ASSERT_GT(val1, val2)
+#endif
+
+// C-string Comparisons.  All tests treat NULL and any non-NULL string
+// as different.  Two NULLs are equal.
+//
+//    * {ASSERT|EXPECT}_STREQ(s1, s2):     Tests that s1 == s2
+//    * {ASSERT|EXPECT}_STRNE(s1, s2):     Tests that s1 != s2
+//    * {ASSERT|EXPECT}_STRCASEEQ(s1, s2): Tests that s1 == s2, ignoring case
+//    * {ASSERT|EXPECT}_STRCASENE(s1, s2): Tests that s1 != s2, ignoring case
+//
+// For wide or narrow string objects, you can use the
+// {ASSERT|EXPECT}_??() macros.
+//
+// Don't depend on the order in which the arguments are evaluated,
+// which is undefined.
+//
+// These macros evaluate their arguments exactly once.
+
+#define EXPECT_STREQ(expected, actual) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTREQ, expected, actual)
+#define EXPECT_STRNE(s1, s2) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRNE, s1, s2)
+#define EXPECT_STRCASEEQ(expected, actual) \
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASEEQ, expected, actual)
+#define EXPECT_STRCASENE(s1, s2)\
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASENE, s1, s2)
+
+#define ASSERT_STREQ(expected, actual) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTREQ, expected, actual)
+#define ASSERT_STRNE(s1, s2) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRNE, s1, s2)
+#define ASSERT_STRCASEEQ(expected, actual) \
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASEEQ, expected, actual)
+#define ASSERT_STRCASENE(s1, s2)\
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASENE, s1, s2)
+
+// Macros for comparing floating-point numbers.
+//
+//    * {ASSERT|EXPECT}_FLOAT_EQ(expected, actual):
+//         Tests that two float values are almost equal.
+//    * {ASSERT|EXPECT}_DOUBLE_EQ(expected, actual):
+//         Tests that two double values are almost equal.
+//    * {ASSERT|EXPECT}_NEAR(v1, v2, abs_error):
+//         Tests that v1 and v2 are within the given distance to each other.
+//
+// Google Test uses ULP-based comparison to automatically pick a default
+// error bound that is appropriate for the operands.  See the
+// FloatingPoint template class in gtest-internal.h if you are
+// interested in the implementation details.
+
+#define EXPECT_FLOAT_EQ(expected, actual)\
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<float>, \
+                      expected, actual)
+
+#define EXPECT_DOUBLE_EQ(expected, actual)\
+  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<double>, \
+                      expected, actual)
+
+#define ASSERT_FLOAT_EQ(expected, actual)\
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<float>, \
+                      expected, actual)
+
+#define ASSERT_DOUBLE_EQ(expected, actual)\
+  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<double>, \
+                      expected, actual)
+
+#define EXPECT_NEAR(val1, val2, abs_error)\
+  EXPECT_PRED_FORMAT3(::testing::internal::DoubleNearPredFormat, \
+                      val1, val2, abs_error)
+
+#define ASSERT_NEAR(val1, val2, abs_error)\
+  ASSERT_PRED_FORMAT3(::testing::internal::DoubleNearPredFormat, \
+                      val1, val2, abs_error)
+
+// These predicate format functions work on floating-point values, and
+// can be used in {ASSERT|EXPECT}_PRED_FORMAT2*(), e.g.
+//
+//   EXPECT_PRED_FORMAT2(testing::DoubleLE, Foo(), 5.0);
+
+// Asserts that val1 is less than, or almost equal to, val2.  Fails
+// otherwise.  In particular, it fails if either val1 or val2 is NaN.
+GTEST_API_ AssertionResult FloatLE(const char* expr1, const char* expr2,
+                                   float val1, float val2);
+GTEST_API_ AssertionResult DoubleLE(const char* expr1, const char* expr2,
+                                    double val1, double val2);
+
+
+#if GTEST_OS_WINDOWS
+
+// Macros that test for HRESULT failure and success, these are only useful
+// on Windows, and rely on Windows SDK macros and APIs to compile.
+//
+//    * {ASSERT|EXPECT}_HRESULT_{SUCCEEDED|FAILED}(expr)
+//
+// When expr unexpectedly fails or succeeds, Google Test prints the
+// expected result and the actual result with both a human-readable
+// string representation of the error, if available, as well as the
+// hex result code.
+# define EXPECT_HRESULT_SUCCEEDED(expr) \
+    EXPECT_PRED_FORMAT1(::testing::internal::IsHRESULTSuccess, (expr))
+
+# define ASSERT_HRESULT_SUCCEEDED(expr) \
+    ASSERT_PRED_FORMAT1(::testing::internal::IsHRESULTSuccess, (expr))
+
+# define EXPECT_HRESULT_FAILED(expr) \
+    EXPECT_PRED_FORMAT1(::testing::internal::IsHRESULTFailure, (expr))
+
+# define ASSERT_HRESULT_FAILED(expr) \
+    ASSERT_PRED_FORMAT1(::testing::internal::IsHRESULTFailure, (expr))
+
+#endif  // GTEST_OS_WINDOWS
+
+// Macros that execute statement and check that it doesn't generate new fatal
+// failures in the current thread.
+//
+//   * {ASSERT|EXPECT}_NO_FATAL_FAILURE(statement);
+//
+// Examples:
+//
+//   EXPECT_NO_FATAL_FAILURE(Process());
+//   ASSERT_NO_FATAL_FAILURE(Process()) << "Process() failed";
+//
+#define ASSERT_NO_FATAL_FAILURE(statement) \
+    GTEST_TEST_NO_FATAL_FAILURE_(statement, GTEST_FATAL_FAILURE_)
+#define EXPECT_NO_FATAL_FAILURE(statement) \
+    GTEST_TEST_NO_FATAL_FAILURE_(statement, GTEST_NONFATAL_FAILURE_)
+
+// Causes a trace (including the source file path, the current line
+// number, and the given message) to be included in every test failure
+// message generated by code in the current scope.  The effect is
+// undone when the control leaves the current scope.
+//
+// The message argument can be anything streamable to std::ostream.
+//
+// In the implementation, we include the current line number as part
+// of the dummy variable name, thus allowing multiple SCOPED_TRACE()s
+// to appear in the same block - as long as they are on different
+// lines.
+#define SCOPED_TRACE(message) \
+  ::testing::internal::ScopedTrace GTEST_CONCAT_TOKEN_(gtest_trace_, __LINE__)(\
+    __FILE__, __LINE__, ::testing::Message() << (message))
+
+// Compile-time assertion for type equality.
+// StaticAssertTypeEq<type1, type2>() compiles iff type1 and type2 are
+// the same type.  The value it returns is not interesting.
+//
+// Instead of making StaticAssertTypeEq a class template, we make it a
+// function template that invokes a helper class template.  This
+// prevents a user from misusing StaticAssertTypeEq<T1, T2> by
+// defining objects of that type.
+//
+// CAVEAT:
+//
+// When used inside a method of a class template,
+// StaticAssertTypeEq<T1, T2>() is effective ONLY IF the method is
+// instantiated.  For example, given:
+//
+//   template <typename T> class Foo {
+//    public:
+//     void Bar() { testing::StaticAssertTypeEq<int, T>(); }
+//   };
+//
+// the code:
+//
+//   void Test1() { Foo<bool> foo; }
+//
+// will NOT generate a compiler error, as Foo<bool>::Bar() is never
+// actually instantiated.  Instead, you need:
+//
+//   void Test2() { Foo<bool> foo; foo.Bar(); }
+//
+// to cause a compiler error.
+template <typename T1, typename T2>
+bool StaticAssertTypeEq() {
+  (void)internal::StaticAssertTypeEqHelper<T1, T2>();
+  return true;
+}
+
+// Defines a test.
+//
+// The first parameter is the name of the test case, and the second
+// parameter is the name of the test within the test case.
+//
+// The convention is to end the test case name with "Test".  For
+// example, a test case for the Foo class can be named FooTest.
+//
+// The user should put his test code between braces after using this
+// macro.  Example:
+//
+//   TEST(FooTest, InitializesCorrectly) {
+//     Foo foo;
+//     EXPECT_TRUE(foo.StatusIsOK());
+//   }
+
+// Note that we call GetTestTypeId() instead of GetTypeId<
+// ::testing::Test>() here to get the type ID of testing::Test.  This
+// is to work around a suspected linker bug when using Google Test as
+// a framework on Mac OS X.  The bug causes GetTypeId<
+// ::testing::Test>() to return different values depending on whether
+// the call is from the Google Test framework itself or from user test
+// code.  GetTestTypeId() is guaranteed to always return the same
+// value, as it always calls GetTypeId<>() from the Google Test
+// framework.
+#define GTEST_TEST(test_case_name, test_name)\
+  GTEST_TEST_(test_case_name, test_name, \
+              ::testing::Test, ::testing::internal::GetTestTypeId())
+
+// Define this macro to 1 to omit the definition of TEST(), which
+// is a generic name and clashes with some other libraries.
+#if !GTEST_DONT_DEFINE_TEST
+# define TEST(test_case_name, test_name) GTEST_TEST(test_case_name, test_name)
+#endif
+
+// Defines a test that uses a test fixture.
+//
+// The first parameter is the name of the test fixture class, which
+// also doubles as the test case name.  The second parameter is the
+// name of the test within the test case.
+//
+// A test fixture class must be declared earlier.  The user should put
+// his test code between braces after using this macro.  Example:
+//
+//   class FooTest : public testing::Test {
+//    protected:
+//     virtual void SetUp() { b_.AddElement(3); }
+//
+//     Foo a_;
+//     Foo b_;
+//   };
+//
+//   TEST_F(FooTest, InitializesCorrectly) {
+//     EXPECT_TRUE(a_.StatusIsOK());
+//   }
+//
+//   TEST_F(FooTest, ReturnsElementCountCorrectly) {
+//     EXPECT_EQ(0, a_.size());
+//     EXPECT_EQ(1, b_.size());
+//   }
+
+#define TEST_F(test_fixture, test_name)\
+  GTEST_TEST_(test_fixture, test_name, test_fixture, \
+              ::testing::internal::GetTypeId<test_fixture>())
+
+}  // namespace testing
+
+// Use this function in main() to run all tests.  It returns 0 if all
+// tests are successful, or 1 otherwise.
+//
+// RUN_ALL_TESTS() should be invoked after the command line has been
+// parsed by InitGoogleTest().
+//
+// This function was formerly a macro; thus, it is in the global
+// namespace and has an all-caps name.
+int RUN_ALL_TESTS() GTEST_MUST_USE_RESULT_;
+
+inline int RUN_ALL_TESTS() {
+  return ::testing::UnitTest::GetInstance()->Run();
+}
+
+#endif  // GTEST_INCLUDE_GTEST_GTEST_H_

From b2d67bcbb5ffd74702cfa9ada31bb37212a787e1 Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Mon, 12 Nov 2018 15:18:06 -0700
Subject: [PATCH 101/273] Remove tpls dir

---
 lib/kokkos/tpls/gtest/gtest/LICENSE           |    28 -
 lib/kokkos/tpls/gtest/gtest/README            |    13 -
 lib/kokkos/tpls/gtest/gtest/gtest-all.cc      |  9594 --------
 lib/kokkos/tpls/gtest/gtest/gtest-test-part.h |     1 -
 lib/kokkos/tpls/gtest/gtest/gtest.h           | 20065 ----------------
 5 files changed, 29701 deletions(-)
 delete mode 100644 lib/kokkos/tpls/gtest/gtest/LICENSE
 delete mode 100644 lib/kokkos/tpls/gtest/gtest/README
 delete mode 100644 lib/kokkos/tpls/gtest/gtest/gtest-all.cc
 delete mode 120000 lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
 delete mode 100644 lib/kokkos/tpls/gtest/gtest/gtest.h

diff --git a/lib/kokkos/tpls/gtest/gtest/LICENSE b/lib/kokkos/tpls/gtest/gtest/LICENSE
deleted file mode 100644
index 1941a11f8c..0000000000
--- a/lib/kokkos/tpls/gtest/gtest/LICENSE
+++ /dev/null
@@ -1,28 +0,0 @@
-Copyright 2008, Google Inc.
-All rights reserved.
-
-Redistribution and use in source and binary forms, with or without
-modification, are permitted provided that the following conditions are
-met:
-
-    * Redistributions of source code must retain the above copyright
-notice, this list of conditions and the following disclaimer.
-    * Redistributions in binary form must reproduce the above
-copyright notice, this list of conditions and the following disclaimer
-in the documentation and/or other materials provided with the
-distribution.
-    * Neither the name of Google Inc. nor the names of its
-contributors may be used to endorse or promote products derived from
-this software without specific prior written permission.
-
-THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
diff --git a/lib/kokkos/tpls/gtest/gtest/README b/lib/kokkos/tpls/gtest/gtest/README
deleted file mode 100644
index 82964ecc32..0000000000
--- a/lib/kokkos/tpls/gtest/gtest/README
+++ /dev/null
@@ -1,13 +0,0 @@
-This is a fused source version of gtest 1.7.0. All that should be necessary to
-start using gtest in your package is to declare the dependency and include
-gtest/gtest.h.
-
-However, because some of the packages that are developed in Sierra do not use a
-fused source version of gtest we need to make it possible for them to build with
-this version as well as with their native build. To facilitate this we have
-created symlinks for the other gtest headers that they use to the fused source
-gtest.h. This will make it possible for them find the headers while still using
-the fuse source version. This should not have any ill effects since the header is
-protected and allows for only using the non-gtest.h headers in their files.
-
-
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest-all.cc b/lib/kokkos/tpls/gtest/gtest/gtest-all.cc
deleted file mode 100644
index 735f581c95..0000000000
--- a/lib/kokkos/tpls/gtest/gtest/gtest-all.cc
+++ /dev/null
@@ -1,9594 +0,0 @@
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: mheule@google.com (Markus Heule)
-//
-// Google C++ Testing Framework (Google Test)
-//
-// Sometimes it's desirable to build Google Test by compiling a single file.
-// This file serves this purpose.
-
-// This line ensures that gtest.h can be compiled on its own, even
-// when it's fused.
-#include "gtest/gtest.h"
-
-// The following lines pull in the real gtest *.cc files.
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// The Google C++ Testing Framework (Google Test)
-
-// Copyright 2007, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// Utilities for testing Google Test itself and code that uses Google Test
-// (e.g. frameworks built on top of Google Test).
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_SPI_H_
-#define GTEST_INCLUDE_GTEST_GTEST_SPI_H_
-
-
-namespace testing {
-
-// This helper class can be used to mock out Google Test failure reporting
-// so that we can test Google Test or code that builds on Google Test.
-//
-// An object of this class appends a TestPartResult object to the
-// TestPartResultArray object given in the constructor whenever a Google Test
-// failure is reported. It can either intercept only failures that are
-// generated in the same thread that created this object or it can intercept
-// all generated failures. The scope of this mock object can be controlled with
-// the second argument to the two arguments constructor.
-class GTEST_API_ ScopedFakeTestPartResultReporter
-    : public TestPartResultReporterInterface {
- public:
-  // The two possible mocking modes of this object.
-  enum InterceptMode {
-    INTERCEPT_ONLY_CURRENT_THREAD,  // Intercepts only thread local failures.
-    INTERCEPT_ALL_THREADS           // Intercepts all failures.
-  };
-
-  // The c'tor sets this object as the test part result reporter used
-  // by Google Test.  The 'result' parameter specifies where to report the
-  // results. This reporter will only catch failures generated in the current
-  // thread. DEPRECATED
-  explicit ScopedFakeTestPartResultReporter(TestPartResultArray* result);
-
-  // Same as above, but you can choose the interception scope of this object.
-  ScopedFakeTestPartResultReporter(InterceptMode intercept_mode,
-                                   TestPartResultArray* result);
-
-  // The d'tor restores the previous test part result reporter.
-  virtual ~ScopedFakeTestPartResultReporter();
-
-  // Appends the TestPartResult object to the TestPartResultArray
-  // received in the constructor.
-  //
-  // This method is from the TestPartResultReporterInterface
-  // interface.
-  virtual void ReportTestPartResult(const TestPartResult& result);
- private:
-  void Init();
-
-  const InterceptMode intercept_mode_;
-  TestPartResultReporterInterface* old_reporter_;
-  TestPartResultArray* const result_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedFakeTestPartResultReporter);
-};
-
-namespace internal {
-
-// A helper class for implementing EXPECT_FATAL_FAILURE() and
-// EXPECT_NONFATAL_FAILURE().  Its destructor verifies that the given
-// TestPartResultArray contains exactly one failure that has the given
-// type and contains the given substring.  If that's not the case, a
-// non-fatal failure will be generated.
-class GTEST_API_ SingleFailureChecker {
- public:
-  // The constructor remembers the arguments.
-  SingleFailureChecker(const TestPartResultArray* results,
-                       TestPartResult::Type type,
-                       const string& substr);
-  ~SingleFailureChecker();
- private:
-  const TestPartResultArray* const results_;
-  const TestPartResult::Type type_;
-  const string substr_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(SingleFailureChecker);
-};
-
-}  // namespace internal
-
-}  // namespace testing
-
-// A set of macros for testing Google Test assertions or code that's expected
-// to generate Google Test fatal failures.  It verifies that the given
-// statement will cause exactly one fatal Google Test failure with 'substr'
-// being part of the failure message.
-//
-// There are two different versions of this macro. EXPECT_FATAL_FAILURE only
-// affects and considers failures generated in the current thread and
-// EXPECT_FATAL_FAILURE_ON_ALL_THREADS does the same but for all threads.
-//
-// The verification of the assertion is done correctly even when the statement
-// throws an exception or aborts the current function.
-//
-// Known restrictions:
-//   - 'statement' cannot reference local non-static variables or
-//     non-static members of the current object.
-//   - 'statement' cannot return a value.
-//   - You cannot stream a failure message to this macro.
-//
-// Note that even though the implementations of the following two
-// macros are much alike, we cannot refactor them to use a common
-// helper macro, due to some peculiarity in how the preprocessor
-// works.  The AcceptsMacroThatExpandsToUnprotectedComma test in
-// gtest_unittest.cc will fail to compile if we do that.
-#define EXPECT_FATAL_FAILURE(statement, substr) \
-  do { \
-    class GTestExpectFatalFailureHelper {\
-     public:\
-      static void Execute() { statement; }\
-    };\
-    ::testing::TestPartResultArray gtest_failures;\
-    ::testing::internal::SingleFailureChecker gtest_checker(\
-        &gtest_failures, ::testing::TestPartResult::kFatalFailure, (substr));\
-    {\
-      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
-          ::testing::ScopedFakeTestPartResultReporter:: \
-          INTERCEPT_ONLY_CURRENT_THREAD, &gtest_failures);\
-      GTestExpectFatalFailureHelper::Execute();\
-    }\
-  } while (::testing::internal::AlwaysFalse())
-
-#define EXPECT_FATAL_FAILURE_ON_ALL_THREADS(statement, substr) \
-  do { \
-    class GTestExpectFatalFailureHelper {\
-     public:\
-      static void Execute() { statement; }\
-    };\
-    ::testing::TestPartResultArray gtest_failures;\
-    ::testing::internal::SingleFailureChecker gtest_checker(\
-        &gtest_failures, ::testing::TestPartResult::kFatalFailure, (substr));\
-    {\
-      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
-          ::testing::ScopedFakeTestPartResultReporter:: \
-          INTERCEPT_ALL_THREADS, &gtest_failures);\
-      GTestExpectFatalFailureHelper::Execute();\
-    }\
-  } while (::testing::internal::AlwaysFalse())
-
-// A macro for testing Google Test assertions or code that's expected to
-// generate Google Test non-fatal failures.  It asserts that the given
-// statement will cause exactly one non-fatal Google Test failure with 'substr'
-// being part of the failure message.
-//
-// There are two different versions of this macro. EXPECT_NONFATAL_FAILURE only
-// affects and considers failures generated in the current thread and
-// EXPECT_NONFATAL_FAILURE_ON_ALL_THREADS does the same but for all threads.
-//
-// 'statement' is allowed to reference local variables and members of
-// the current object.
-//
-// The verification of the assertion is done correctly even when the statement
-// throws an exception or aborts the current function.
-//
-// Known restrictions:
-//   - You cannot stream a failure message to this macro.
-//
-// Note that even though the implementations of the following two
-// macros are much alike, we cannot refactor them to use a common
-// helper macro, due to some peculiarity in how the preprocessor
-// works.  If we do that, the code won't compile when the user gives
-// EXPECT_NONFATAL_FAILURE() a statement that contains a macro that
-// expands to code containing an unprotected comma.  The
-// AcceptsMacroThatExpandsToUnprotectedComma test in gtest_unittest.cc
-// catches that.
-//
-// For the same reason, we have to write
-//   if (::testing::internal::AlwaysTrue()) { statement; }
-// instead of
-//   GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement)
-// to avoid an MSVC warning on unreachable code.
-#define EXPECT_NONFATAL_FAILURE(statement, substr) \
-  do {\
-    ::testing::TestPartResultArray gtest_failures;\
-    ::testing::internal::SingleFailureChecker gtest_checker(\
-        &gtest_failures, ::testing::TestPartResult::kNonFatalFailure, \
-        (substr));\
-    {\
-      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
-          ::testing::ScopedFakeTestPartResultReporter:: \
-          INTERCEPT_ONLY_CURRENT_THREAD, &gtest_failures);\
-      if (::testing::internal::AlwaysTrue()) { statement; }\
-    }\
-  } while (::testing::internal::AlwaysFalse())
-
-#define EXPECT_NONFATAL_FAILURE_ON_ALL_THREADS(statement, substr) \
-  do {\
-    ::testing::TestPartResultArray gtest_failures;\
-    ::testing::internal::SingleFailureChecker gtest_checker(\
-        &gtest_failures, ::testing::TestPartResult::kNonFatalFailure, \
-        (substr));\
-    {\
-      ::testing::ScopedFakeTestPartResultReporter gtest_reporter(\
-          ::testing::ScopedFakeTestPartResultReporter::INTERCEPT_ALL_THREADS, \
-          &gtest_failures);\
-      if (::testing::internal::AlwaysTrue()) { statement; }\
-    }\
-  } while (::testing::internal::AlwaysFalse())
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_SPI_H_
-
-#include <ctype.h>
-#include <math.h>
-#include <stdarg.h>
-#include <stdio.h>
-#include <stdlib.h>
-#include <time.h>
-#include <wchar.h>
-#include <wctype.h>
-
-#include <algorithm>
-#include <iomanip>
-#include <limits>
-#include <ostream>  // NOLINT
-#include <sstream>
-#include <vector>
-
-#if GTEST_OS_LINUX
-
-// TODO(kenton@google.com): Use autoconf to detect availability of
-// gettimeofday().
-# define GTEST_HAS_GETTIMEOFDAY_ 1
-
-# include <fcntl.h>  // NOLINT
-# include <limits.h>  // NOLINT
-# include <sched.h>  // NOLINT
-// Declares vsnprintf().  This header is not available on Windows.
-# include <strings.h>  // NOLINT
-# include <sys/mman.h>  // NOLINT
-# include <sys/time.h>  // NOLINT
-# include <unistd.h>  // NOLINT
-# include <string>
-
-#elif GTEST_OS_SYMBIAN
-# define GTEST_HAS_GETTIMEOFDAY_ 1
-# include <sys/time.h>  // NOLINT
-
-#elif GTEST_OS_ZOS
-# define GTEST_HAS_GETTIMEOFDAY_ 1
-# include <sys/time.h>  // NOLINT
-
-// On z/OS we additionally need strings.h for strcasecmp.
-# include <strings.h>  // NOLINT
-
-#elif GTEST_OS_WINDOWS_MOBILE  // We are on Windows CE.
-
-# include <windows.h>  // NOLINT
-
-#elif GTEST_OS_WINDOWS  // We are on Windows proper.
-
-# include <io.h>  // NOLINT
-# include <sys/timeb.h>  // NOLINT
-# include <sys/types.h>  // NOLINT
-# include <sys/stat.h>  // NOLINT
-
-# if GTEST_OS_WINDOWS_MINGW
-// MinGW has gettimeofday() but not _ftime64().
-// TODO(kenton@google.com): Use autoconf to detect availability of
-//   gettimeofday().
-// TODO(kenton@google.com): There are other ways to get the time on
-//   Windows, like GetTickCount() or GetSystemTimeAsFileTime().  MinGW
-//   supports these.  consider using them instead.
-#  define GTEST_HAS_GETTIMEOFDAY_ 1
-#  include <sys/time.h>  // NOLINT
-# endif  // GTEST_OS_WINDOWS_MINGW
-
-// cpplint thinks that the header is already included, so we want to
-// silence it.
-# include <windows.h>  // NOLINT
-
-#else
-
-// Assume other platforms have gettimeofday().
-// TODO(kenton@google.com): Use autoconf to detect availability of
-//   gettimeofday().
-# define GTEST_HAS_GETTIMEOFDAY_ 1
-
-// cpplint thinks that the header is already included, so we want to
-// silence it.
-# include <sys/time.h>  // NOLINT
-# include <unistd.h>  // NOLINT
-
-#endif  // GTEST_OS_LINUX
-
-#if GTEST_HAS_EXCEPTIONS
-# include <stdexcept>
-#endif
-
-#if GTEST_CAN_STREAM_RESULTS_
-# include <arpa/inet.h>  // NOLINT
-# include <netdb.h>  // NOLINT
-#endif
-
-// Indicates that this translation unit is part of Google Test's
-// implementation.  It must come before gtest-internal-inl.h is
-// included, or there will be a compiler error.  This trick is to
-// prevent a user from accidentally including gtest-internal-inl.h in
-// his code.
-#define GTEST_IMPLEMENTATION_ 1
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-
-// Utility functions and classes used by the Google C++ testing framework.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// This file contains purely Google Test's internal implementation.  Please
-// DO NOT #INCLUDE IT IN A USER PROGRAM.
-
-#ifndef GTEST_SRC_GTEST_INTERNAL_INL_H_
-#define GTEST_SRC_GTEST_INTERNAL_INL_H_
-
-// GTEST_IMPLEMENTATION_ is defined to 1 iff the current translation unit is
-// part of Google Test's implementation; otherwise it's undefined.
-#if !GTEST_IMPLEMENTATION_
-// A user is trying to include this from his code - just say no.
-# error "gtest-internal-inl.h is part of Google Test's internal implementation."
-# error "It must not be included except by Google Test itself."
-#endif  // GTEST_IMPLEMENTATION_
-
-#ifndef _WIN32_WCE
-# include <errno.h>
-#endif  // !_WIN32_WCE
-#include <stddef.h>
-#include <stdlib.h>  // For strtoll/_strtoul64/malloc/free.
-#include <string.h>  // For memmove.
-
-#include <algorithm>
-#include <string>
-#include <vector>
-
-
-#if GTEST_CAN_STREAM_RESULTS_
-# include <arpa/inet.h>  // NOLINT
-# include <netdb.h>  // NOLINT
-#endif
-
-#if GTEST_OS_WINDOWS
-# include <windows.h>  // NOLINT
-#endif  // GTEST_OS_WINDOWS
-
-
-namespace testing {
-
-// Declares the flags.
-//
-// We don't want the users to modify this flag in the code, but want
-// Google Test's own unit tests to be able to access it. Therefore we
-// declare it here as opposed to in gtest.h.
-GTEST_DECLARE_bool_(death_test_use_fork);
-
-namespace internal {
-
-// The value of GetTestTypeId() as seen from within the Google Test
-// library.  This is solely for testing GetTestTypeId().
-GTEST_API_ extern const TypeId kTestTypeIdInGoogleTest;
-
-// Names of the flags (needed for parsing Google Test flags).
-const char kAlsoRunDisabledTestsFlag[] = "also_run_disabled_tests";
-const char kBreakOnFailureFlag[] = "break_on_failure";
-const char kCatchExceptionsFlag[] = "catch_exceptions";
-const char kColorFlag[] = "color";
-const char kFilterFlag[] = "filter";
-const char kListTestsFlag[] = "list_tests";
-const char kOutputFlag[] = "output";
-const char kPrintTimeFlag[] = "print_time";
-const char kRandomSeedFlag[] = "random_seed";
-const char kRepeatFlag[] = "repeat";
-const char kShuffleFlag[] = "shuffle";
-const char kStackTraceDepthFlag[] = "stack_trace_depth";
-const char kStreamResultToFlag[] = "stream_result_to";
-const char kThrowOnFailureFlag[] = "throw_on_failure";
-
-// A valid random seed must be in [1, kMaxRandomSeed].
-const int kMaxRandomSeed = 99999;
-
-// g_help_flag is true iff the --help flag or an equivalent form is
-// specified on the command line.
-GTEST_API_ extern bool g_help_flag;
-
-// Returns the current time in milliseconds.
-GTEST_API_ TimeInMillis GetTimeInMillis();
-
-// Returns true iff Google Test should use colors in the output.
-GTEST_API_ bool ShouldUseColor(bool stdout_is_tty);
-
-// Formats the given time in milliseconds as seconds.
-GTEST_API_ std::string FormatTimeInMillisAsSeconds(TimeInMillis ms);
-
-// Converts the given time in milliseconds to a date string in the ISO 8601
-// format, without the timezone information.  N.B.: due to the use the
-// non-reentrant localtime() function, this function is not thread safe.  Do
-// not use it in any code that can be called from multiple threads.
-GTEST_API_ std::string FormatEpochTimeInMillisAsIso8601(TimeInMillis ms);
-
-// Parses a string for an Int32 flag, in the form of "--flag=value".
-//
-// On success, stores the value of the flag in *value, and returns
-// true.  On failure, returns false without changing *value.
-GTEST_API_ bool ParseInt32Flag(
-    const char* str, const char* flag, Int32* value);
-
-// Returns a random seed in range [1, kMaxRandomSeed] based on the
-// given --gtest_random_seed flag value.
-inline int GetRandomSeedFromFlag(Int32 random_seed_flag) {
-  const unsigned int raw_seed = (random_seed_flag == 0) ?
-      static_cast<unsigned int>(GetTimeInMillis()) :
-      static_cast<unsigned int>(random_seed_flag);
-
-  // Normalizes the actual seed to range [1, kMaxRandomSeed] such that
-  // it's easy to type.
-  const int normalized_seed =
-      static_cast<int>((raw_seed - 1U) %
-                       static_cast<unsigned int>(kMaxRandomSeed)) + 1;
-  return normalized_seed;
-}
-
-// Returns the first valid random seed after 'seed'.  The behavior is
-// undefined if 'seed' is invalid.  The seed after kMaxRandomSeed is
-// considered to be 1.
-inline int GetNextRandomSeed(int seed) {
-  GTEST_CHECK_(1 <= seed && seed <= kMaxRandomSeed)
-      << "Invalid random seed " << seed << " - must be in [1, "
-      << kMaxRandomSeed << "].";
-  const int next_seed = seed + 1;
-  return (next_seed > kMaxRandomSeed) ? 1 : next_seed;
-}
-
-// This class saves the values of all Google Test flags in its c'tor, and
-// restores them in its d'tor.
-class GTestFlagSaver {
- public:
-  // The c'tor.
-  GTestFlagSaver() {
-    also_run_disabled_tests_ = GTEST_FLAG(also_run_disabled_tests);
-    break_on_failure_ = GTEST_FLAG(break_on_failure);
-    catch_exceptions_ = GTEST_FLAG(catch_exceptions);
-    color_ = GTEST_FLAG(color);
-    death_test_style_ = GTEST_FLAG(death_test_style);
-    death_test_use_fork_ = GTEST_FLAG(death_test_use_fork);
-    filter_ = GTEST_FLAG(filter);
-    internal_run_death_test_ = GTEST_FLAG(internal_run_death_test);
-    list_tests_ = GTEST_FLAG(list_tests);
-    output_ = GTEST_FLAG(output);
-    print_time_ = GTEST_FLAG(print_time);
-    random_seed_ = GTEST_FLAG(random_seed);
-    repeat_ = GTEST_FLAG(repeat);
-    shuffle_ = GTEST_FLAG(shuffle);
-    stack_trace_depth_ = GTEST_FLAG(stack_trace_depth);
-    stream_result_to_ = GTEST_FLAG(stream_result_to);
-    throw_on_failure_ = GTEST_FLAG(throw_on_failure);
-  }
-
-  // The d'tor is not virtual.  DO NOT INHERIT FROM THIS CLASS.
-  ~GTestFlagSaver() {
-    GTEST_FLAG(also_run_disabled_tests) = also_run_disabled_tests_;
-    GTEST_FLAG(break_on_failure) = break_on_failure_;
-    GTEST_FLAG(catch_exceptions) = catch_exceptions_;
-    GTEST_FLAG(color) = color_;
-    GTEST_FLAG(death_test_style) = death_test_style_;
-    GTEST_FLAG(death_test_use_fork) = death_test_use_fork_;
-    GTEST_FLAG(filter) = filter_;
-    GTEST_FLAG(internal_run_death_test) = internal_run_death_test_;
-    GTEST_FLAG(list_tests) = list_tests_;
-    GTEST_FLAG(output) = output_;
-    GTEST_FLAG(print_time) = print_time_;
-    GTEST_FLAG(random_seed) = random_seed_;
-    GTEST_FLAG(repeat) = repeat_;
-    GTEST_FLAG(shuffle) = shuffle_;
-    GTEST_FLAG(stack_trace_depth) = stack_trace_depth_;
-    GTEST_FLAG(stream_result_to) = stream_result_to_;
-    GTEST_FLAG(throw_on_failure) = throw_on_failure_;
-  }
-
- private:
-  // Fields for saving the original values of flags.
-  bool also_run_disabled_tests_;
-  bool break_on_failure_;
-  bool catch_exceptions_;
-  std::string color_;
-  std::string death_test_style_;
-  bool death_test_use_fork_;
-  std::string filter_;
-  std::string internal_run_death_test_;
-  bool list_tests_;
-  std::string output_;
-  bool print_time_;
-  internal::Int32 random_seed_;
-  internal::Int32 repeat_;
-  bool shuffle_;
-  internal::Int32 stack_trace_depth_;
-  std::string stream_result_to_;
-  bool throw_on_failure_;
-} GTEST_ATTRIBUTE_UNUSED_;
-
-// Converts a Unicode code point to a narrow string in UTF-8 encoding.
-// code_point parameter is of type UInt32 because wchar_t may not be
-// wide enough to contain a code point.
-// If the code_point is not a valid Unicode code point
-// (i.e. outside of Unicode range U+0 to U+10FFFF) it will be converted
-// to "(Invalid Unicode 0xXXXXXXXX)".
-GTEST_API_ std::string CodePointToUtf8(UInt32 code_point);
-
-// Converts a wide string to a narrow string in UTF-8 encoding.
-// The wide string is assumed to have the following encoding:
-//   UTF-16 if sizeof(wchar_t) == 2 (on Windows, Cygwin, Symbian OS)
-//   UTF-32 if sizeof(wchar_t) == 4 (on Linux)
-// Parameter str points to a null-terminated wide string.
-// Parameter num_chars may additionally limit the number
-// of wchar_t characters processed. -1 is used when the entire string
-// should be processed.
-// If the string contains code points that are not valid Unicode code points
-// (i.e. outside of Unicode range U+0 to U+10FFFF) they will be output
-// as '(Invalid Unicode 0xXXXXXXXX)'. If the string is in UTF16 encoding
-// and contains invalid UTF-16 surrogate pairs, values in those pairs
-// will be encoded as individual Unicode characters from Basic Normal Plane.
-GTEST_API_ std::string WideStringToUtf8(const wchar_t* str, int num_chars);
-
-// Reads the GTEST_SHARD_STATUS_FILE environment variable, and creates the file
-// if the variable is present. If a file already exists at this location, this
-// function will write over it. If the variable is present, but the file cannot
-// be created, prints an error and exits.
-void WriteToShardStatusFileIfNeeded();
-
-// Checks whether sharding is enabled by examining the relevant
-// environment variable values. If the variables are present,
-// but inconsistent (e.g., shard_index >= total_shards), prints
-// an error and exits. If in_subprocess_for_death_test, sharding is
-// disabled because it must only be applied to the original test
-// process. Otherwise, we could filter out death tests we intended to execute.
-GTEST_API_ bool ShouldShard(const char* total_shards_str,
-                            const char* shard_index_str,
-                            bool in_subprocess_for_death_test);
-
-// Parses the environment variable var as an Int32. If it is unset,
-// returns default_val. If it is not an Int32, prints an error and
-// and aborts.
-GTEST_API_ Int32 Int32FromEnvOrDie(const char* env_var, Int32 default_val);
-
-// Given the total number of shards, the shard index, and the test id,
-// returns true iff the test should be run on this shard. The test id is
-// some arbitrary but unique non-negative integer assigned to each test
-// method. Assumes that 0 <= shard_index < total_shards.
-GTEST_API_ bool ShouldRunTestOnShard(
-    int total_shards, int shard_index, int test_id);
-
-// STL container utilities.
-
-// Returns the number of elements in the given container that satisfy
-// the given predicate.
-template <class Container, typename Predicate>
-inline int CountIf(const Container& c, Predicate predicate) {
-  // Implemented as an explicit loop since std::count_if() in libCstd on
-  // Solaris has a non-standard signature.
-  int count = 0;
-  for (typename Container::const_iterator it = c.begin(); it != c.end(); ++it) {
-    if (predicate(*it))
-      ++count;
-  }
-  return count;
-}
-
-// Applies a function/functor to each element in the container.
-template <class Container, typename Functor>
-void ForEach(const Container& c, Functor functor) {
-  std::for_each(c.begin(), c.end(), functor);
-}
-
-// Returns the i-th element of the vector, or default_value if i is not
-// in range [0, v.size()).
-template <typename E>
-inline E GetElementOr(const std::vector<E>& v, int i, E default_value) {
-  return (i < 0 || i >= static_cast<int>(v.size())) ? default_value : v[i];
-}
-
-// Performs an in-place shuffle of a range of the vector's elements.
-// 'begin' and 'end' are element indices as an STL-style range;
-// i.e. [begin, end) are shuffled, where 'end' == size() means to
-// shuffle to the end of the vector.
-template <typename E>
-void ShuffleRange(internal::Random* random, int begin, int end,
-                  std::vector<E>* v) {
-  const int size = static_cast<int>(v->size());
-  GTEST_CHECK_(0 <= begin && begin <= size)
-      << "Invalid shuffle range start " << begin << ": must be in range [0, "
-      << size << "].";
-  GTEST_CHECK_(begin <= end && end <= size)
-      << "Invalid shuffle range finish " << end << ": must be in range ["
-      << begin << ", " << size << "].";
-
-  // Fisher-Yates shuffle, from
-  // http://en.wikipedia.org/wiki/Fisher-Yates_shuffle
-  for (int range_width = end - begin; range_width >= 2; range_width--) {
-    const int last_in_range = begin + range_width - 1;
-    const int selected = begin + random->Generate(range_width);
-    std::swap((*v)[selected], (*v)[last_in_range]);
-  }
-}
-
-// Performs an in-place shuffle of the vector's elements.
-template <typename E>
-inline void Shuffle(internal::Random* random, std::vector<E>* v) {
-  ShuffleRange(random, 0, static_cast<int>(v->size()), v);
-}
-
-// A function for deleting an object.  Handy for being used as a
-// functor.
-template <typename T>
-static void Delete(T* x) {
-  delete x;
-}
-
-// A predicate that checks the key of a TestProperty against a known key.
-//
-// TestPropertyKeyIs is copyable.
-class TestPropertyKeyIs {
- public:
-  // Constructor.
-  //
-  // TestPropertyKeyIs has NO default constructor.
-  explicit TestPropertyKeyIs(const std::string& key) : key_(key) {}
-
-  // Returns true iff the test name of test property matches on key_.
-  bool operator()(const TestProperty& test_property) const {
-    return test_property.key() == key_;
-  }
-
- private:
-  std::string key_;
-};
-
-// Class UnitTestOptions.
-//
-// This class contains functions for processing options the user
-// specifies when running the tests.  It has only static members.
-//
-// In most cases, the user can specify an option using either an
-// environment variable or a command line flag.  E.g. you can set the
-// test filter using either GTEST_FILTER or --gtest_filter.  If both
-// the variable and the flag are present, the latter overrides the
-// former.
-class GTEST_API_ UnitTestOptions {
- public:
-  // Functions for processing the gtest_output flag.
-
-  // Returns the output format, or "" for normal printed output.
-  static std::string GetOutputFormat();
-
-  // Returns the absolute path of the requested output file, or the
-  // default (test_detail.xml in the original working directory) if
-  // none was explicitly specified.
-  static std::string GetAbsolutePathToOutputFile();
-
-  // Functions for processing the gtest_filter flag.
-
-  // Returns true iff the wildcard pattern matches the string.  The
-  // first ':' or '\0' character in pattern marks the end of it.
-  //
-  // This recursive algorithm isn't very efficient, but is clear and
-  // works well enough for matching test names, which are short.
-  static bool PatternMatchesString(const char *pattern, const char *str);
-
-  // Returns true iff the user-specified filter matches the test case
-  // name and the test name.
-  static bool FilterMatchesTest(const std::string &test_case_name,
-                                const std::string &test_name);
-
-#if GTEST_OS_WINDOWS
-  // Function for supporting the gtest_catch_exception flag.
-
-  // Returns EXCEPTION_EXECUTE_HANDLER if Google Test should handle the
-  // given SEH exception, or EXCEPTION_CONTINUE_SEARCH otherwise.
-  // This function is useful as an __except condition.
-  static int GTestShouldProcessSEH(DWORD exception_code);
-#endif  // GTEST_OS_WINDOWS
-
-  // Returns true if "name" matches the ':' separated list of glob-style
-  // filters in "filter".
-  static bool MatchesFilter(const std::string& name, const char* filter);
-};
-
-// Returns the current application's name, removing directory path if that
-// is present.  Used by UnitTestOptions::GetOutputFile.
-GTEST_API_ FilePath GetCurrentExecutableName();
-
-// The role interface for getting the OS stack trace as a string.
-class OsStackTraceGetterInterface {
- public:
-  OsStackTraceGetterInterface() {}
-  virtual ~OsStackTraceGetterInterface() {}
-
-  // Returns the current OS stack trace as an std::string.  Parameters:
-  //
-  //   max_depth  - the maximum number of stack frames to be included
-  //                in the trace.
-  //   skip_count - the number of top frames to be skipped; doesn't count
-  //                against max_depth.
-  virtual string CurrentStackTrace(int max_depth, int skip_count) = 0;
-
-  // UponLeavingGTest() should be called immediately before Google Test calls
-  // user code. It saves some information about the current stack that
-  // CurrentStackTrace() will use to find and hide Google Test stack frames.
-  virtual void UponLeavingGTest() = 0;
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(OsStackTraceGetterInterface);
-};
-
-// A working implementation of the OsStackTraceGetterInterface interface.
-class OsStackTraceGetter : public OsStackTraceGetterInterface {
- public:
-  OsStackTraceGetter() : caller_frame_(NULL) {}
-
-  virtual string CurrentStackTrace(int max_depth, int skip_count)
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  virtual void UponLeavingGTest() GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // This string is inserted in place of stack frames that are part of
-  // Google Test's implementation.
-  static const char* const kElidedFramesMarker;
-
- private:
-  Mutex mutex_;  // protects all internal state
-
-  // We save the stack frame below the frame that calls user code.
-  // We do this because the address of the frame immediately below
-  // the user code changes between the call to UponLeavingGTest()
-  // and any calls to CurrentStackTrace() from within the user code.
-  void* caller_frame_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(OsStackTraceGetter);
-};
-
-// Information about a Google Test trace point.
-struct TraceInfo {
-  const char* file;
-  int line;
-  std::string message;
-};
-
-// This is the default global test part result reporter used in UnitTestImpl.
-// This class should only be used by UnitTestImpl.
-class DefaultGlobalTestPartResultReporter
-  : public TestPartResultReporterInterface {
- public:
-  explicit DefaultGlobalTestPartResultReporter(UnitTestImpl* unit_test);
-  // Implements the TestPartResultReporterInterface. Reports the test part
-  // result in the current test.
-  virtual void ReportTestPartResult(const TestPartResult& result);
-
- private:
-  UnitTestImpl* const unit_test_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(DefaultGlobalTestPartResultReporter);
-};
-
-// This is the default per thread test part result reporter used in
-// UnitTestImpl. This class should only be used by UnitTestImpl.
-class DefaultPerThreadTestPartResultReporter
-    : public TestPartResultReporterInterface {
- public:
-  explicit DefaultPerThreadTestPartResultReporter(UnitTestImpl* unit_test);
-  // Implements the TestPartResultReporterInterface. The implementation just
-  // delegates to the current global test part result reporter of *unit_test_.
-  virtual void ReportTestPartResult(const TestPartResult& result);
-
- private:
-  UnitTestImpl* const unit_test_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(DefaultPerThreadTestPartResultReporter);
-};
-
-// The private implementation of the UnitTest class.  We don't protect
-// the methods under a mutex, as this class is not accessible by a
-// user and the UnitTest class that delegates work to this class does
-// proper locking.
-class GTEST_API_ UnitTestImpl {
- public:
-  explicit UnitTestImpl(UnitTest* parent);
-  virtual ~UnitTestImpl();
-
-  // There are two different ways to register your own TestPartResultReporter.
-  // You can register your own repoter to listen either only for test results
-  // from the current thread or for results from all threads.
-  // By default, each per-thread test result repoter just passes a new
-  // TestPartResult to the global test result reporter, which registers the
-  // test part result for the currently running test.
-
-  // Returns the global test part result reporter.
-  TestPartResultReporterInterface* GetGlobalTestPartResultReporter();
-
-  // Sets the global test part result reporter.
-  void SetGlobalTestPartResultReporter(
-      TestPartResultReporterInterface* reporter);
-
-  // Returns the test part result reporter for the current thread.
-  TestPartResultReporterInterface* GetTestPartResultReporterForCurrentThread();
-
-  // Sets the test part result reporter for the current thread.
-  void SetTestPartResultReporterForCurrentThread(
-      TestPartResultReporterInterface* reporter);
-
-  // Gets the number of successful test cases.
-  int successful_test_case_count() const;
-
-  // Gets the number of failed test cases.
-  int failed_test_case_count() const;
-
-  // Gets the number of all test cases.
-  int total_test_case_count() const;
-
-  // Gets the number of all test cases that contain at least one test
-  // that should run.
-  int test_case_to_run_count() const;
-
-  // Gets the number of successful tests.
-  int successful_test_count() const;
-
-  // Gets the number of failed tests.
-  int failed_test_count() const;
-
-  // Gets the number of disabled tests that will be reported in the XML report.
-  int reportable_disabled_test_count() const;
-
-  // Gets the number of disabled tests.
-  int disabled_test_count() const;
-
-  // Gets the number of tests to be printed in the XML report.
-  int reportable_test_count() const;
-
-  // Gets the number of all tests.
-  int total_test_count() const;
-
-  // Gets the number of tests that should run.
-  int test_to_run_count() const;
-
-  // Gets the time of the test program start, in ms from the start of the
-  // UNIX epoch.
-  TimeInMillis start_timestamp() const { return start_timestamp_; }
-
-  // Gets the elapsed time, in milliseconds.
-  TimeInMillis elapsed_time() const { return elapsed_time_; }
-
-  // Returns true iff the unit test passed (i.e. all test cases passed).
-  bool Passed() const { return !Failed(); }
-
-  // Returns true iff the unit test failed (i.e. some test case failed
-  // or something outside of all tests failed).
-  bool Failed() const {
-    return failed_test_case_count() > 0 || ad_hoc_test_result()->Failed();
-  }
-
-  // Gets the i-th test case among all the test cases. i can range from 0 to
-  // total_test_case_count() - 1. If i is not in that range, returns NULL.
-  const TestCase* GetTestCase(int i) const {
-    const int index = GetElementOr(test_case_indices_, i, -1);
-    return index < 0 ? NULL : test_cases_[i];
-  }
-
-  // Gets the i-th test case among all the test cases. i can range from 0 to
-  // total_test_case_count() - 1. If i is not in that range, returns NULL.
-  TestCase* GetMutableTestCase(int i) {
-    const int index = GetElementOr(test_case_indices_, i, -1);
-    return index < 0 ? NULL : test_cases_[index];
-  }
-
-  // Provides access to the event listener list.
-  TestEventListeners* listeners() { return &listeners_; }
-
-  // Returns the TestResult for the test that's currently running, or
-  // the TestResult for the ad hoc test if no test is running.
-  TestResult* current_test_result();
-
-  // Returns the TestResult for the ad hoc test.
-  const TestResult* ad_hoc_test_result() const { return &ad_hoc_test_result_; }
-
-  // Sets the OS stack trace getter.
-  //
-  // Does nothing if the input and the current OS stack trace getter
-  // are the same; otherwise, deletes the old getter and makes the
-  // input the current getter.
-  void set_os_stack_trace_getter(OsStackTraceGetterInterface* getter);
-
-  // Returns the current OS stack trace getter if it is not NULL;
-  // otherwise, creates an OsStackTraceGetter, makes it the current
-  // getter, and returns it.
-  OsStackTraceGetterInterface* os_stack_trace_getter();
-
-  // Returns the current OS stack trace as an std::string.
-  //
-  // The maximum number of stack frames to be included is specified by
-  // the gtest_stack_trace_depth flag.  The skip_count parameter
-  // specifies the number of top frames to be skipped, which doesn't
-  // count against the number of frames to be included.
-  //
-  // For example, if Foo() calls Bar(), which in turn calls
-  // CurrentOsStackTraceExceptTop(1), Foo() will be included in the
-  // trace but Bar() and CurrentOsStackTraceExceptTop() won't.
-  std::string CurrentOsStackTraceExceptTop(int skip_count) GTEST_NO_INLINE_;
-
-  // Finds and returns a TestCase with the given name.  If one doesn't
-  // exist, creates one and returns it.
-  //
-  // Arguments:
-  //
-  //   test_case_name: name of the test case
-  //   type_param:     the name of the test's type parameter, or NULL if
-  //                   this is not a typed or a type-parameterized test.
-  //   set_up_tc:      pointer to the function that sets up the test case
-  //   tear_down_tc:   pointer to the function that tears down the test case
-  TestCase* GetTestCase(const char* test_case_name,
-                        const char* type_param,
-                        Test::SetUpTestCaseFunc set_up_tc,
-                        Test::TearDownTestCaseFunc tear_down_tc);
-
-  // Adds a TestInfo to the unit test.
-  //
-  // Arguments:
-  //
-  //   set_up_tc:    pointer to the function that sets up the test case
-  //   tear_down_tc: pointer to the function that tears down the test case
-  //   test_info:    the TestInfo object
-  void AddTestInfo(Test::SetUpTestCaseFunc set_up_tc,
-                   Test::TearDownTestCaseFunc tear_down_tc,
-                   TestInfo* test_info) {
-    // In order to support thread-safe death tests, we need to
-    // remember the original working directory when the test program
-    // was first invoked.  We cannot do this in RUN_ALL_TESTS(), as
-    // the user may have changed the current directory before calling
-    // RUN_ALL_TESTS().  Therefore we capture the current directory in
-    // AddTestInfo(), which is called to register a TEST or TEST_F
-    // before main() is reached.
-    if (original_working_dir_.IsEmpty()) {
-      original_working_dir_.Set(FilePath::GetCurrentDir());
-      GTEST_CHECK_(!original_working_dir_.IsEmpty())
-          << "Failed to get the current working directory.";
-    }
-
-    GetTestCase(test_info->test_case_name(),
-                test_info->type_param(),
-                set_up_tc,
-                tear_down_tc)->AddTestInfo(test_info);
-  }
-
-#if GTEST_HAS_PARAM_TEST
-  // Returns ParameterizedTestCaseRegistry object used to keep track of
-  // value-parameterized tests and instantiate and register them.
-  internal::ParameterizedTestCaseRegistry& parameterized_test_registry() {
-    return parameterized_test_registry_;
-  }
-#endif  // GTEST_HAS_PARAM_TEST
-
-  // Sets the TestCase object for the test that's currently running.
-  void set_current_test_case(TestCase* a_current_test_case) {
-    current_test_case_ = a_current_test_case;
-  }
-
-  // Sets the TestInfo object for the test that's currently running.  If
-  // current_test_info is NULL, the assertion results will be stored in
-  // ad_hoc_test_result_.
-  void set_current_test_info(TestInfo* a_current_test_info) {
-    current_test_info_ = a_current_test_info;
-  }
-
-  // Registers all parameterized tests defined using TEST_P and
-  // INSTANTIATE_TEST_CASE_P, creating regular tests for each test/parameter
-  // combination. This method can be called more then once; it has guards
-  // protecting from registering the tests more then once.  If
-  // value-parameterized tests are disabled, RegisterParameterizedTests is
-  // present but does nothing.
-  void RegisterParameterizedTests();
-
-  // Runs all tests in this UnitTest object, prints the result, and
-  // returns true if all tests are successful.  If any exception is
-  // thrown during a test, this test is considered to be failed, but
-  // the rest of the tests will still be run.
-  bool RunAllTests();
-
-  // Clears the results of all tests, except the ad hoc tests.
-  void ClearNonAdHocTestResult() {
-    ForEach(test_cases_, TestCase::ClearTestCaseResult);
-  }
-
-  // Clears the results of ad-hoc test assertions.
-  void ClearAdHocTestResult() {
-    ad_hoc_test_result_.Clear();
-  }
-
-  // Adds a TestProperty to the current TestResult object when invoked in a
-  // context of a test or a test case, or to the global property set. If the
-  // result already contains a property with the same key, the value will be
-  // updated.
-  void RecordProperty(const TestProperty& test_property);
-
-  enum ReactionToSharding {
-    HONOR_SHARDING_PROTOCOL,
-    IGNORE_SHARDING_PROTOCOL
-  };
-
-  // Matches the full name of each test against the user-specified
-  // filter to decide whether the test should run, then records the
-  // result in each TestCase and TestInfo object.
-  // If shard_tests == HONOR_SHARDING_PROTOCOL, further filters tests
-  // based on sharding variables in the environment.
-  // Returns the number of tests that should run.
-  int FilterTests(ReactionToSharding shard_tests);
-
-  // Prints the names of the tests matching the user-specified filter flag.
-  void ListTestsMatchingFilter();
-
-  const TestCase* current_test_case() const { return current_test_case_; }
-  TestInfo* current_test_info() { return current_test_info_; }
-  const TestInfo* current_test_info() const { return current_test_info_; }
-
-  // Returns the vector of environments that need to be set-up/torn-down
-  // before/after the tests are run.
-  std::vector<Environment*>& environments() { return environments_; }
-
-  // Getters for the per-thread Google Test trace stack.
-  std::vector<TraceInfo>& gtest_trace_stack() {
-    return *(gtest_trace_stack_.pointer());
-  }
-  const std::vector<TraceInfo>& gtest_trace_stack() const {
-    return gtest_trace_stack_.get();
-  }
-
-#if GTEST_HAS_DEATH_TEST
-  void InitDeathTestSubprocessControlInfo() {
-    internal_run_death_test_flag_.reset(ParseInternalRunDeathTestFlag());
-  }
-  // Returns a pointer to the parsed --gtest_internal_run_death_test
-  // flag, or NULL if that flag was not specified.
-  // This information is useful only in a death test child process.
-  // Must not be called before a call to InitGoogleTest.
-  const InternalRunDeathTestFlag* internal_run_death_test_flag() const {
-    return internal_run_death_test_flag_.get();
-  }
-
-  // Returns a pointer to the current death test factory.
-  internal::DeathTestFactory* death_test_factory() {
-    return death_test_factory_.get();
-  }
-
-  void SuppressTestEventsIfInSubprocess();
-
-  friend class ReplaceDeathTestFactory;
-#endif  // GTEST_HAS_DEATH_TEST
-
-  // Initializes the event listener performing XML output as specified by
-  // UnitTestOptions. Must not be called before InitGoogleTest.
-  void ConfigureXmlOutput();
-
-#if GTEST_CAN_STREAM_RESULTS_
-  // Initializes the event listener for streaming test results to a socket.
-  // Must not be called before InitGoogleTest.
-  void ConfigureStreamingOutput();
-#endif
-
-  // Performs initialization dependent upon flag values obtained in
-  // ParseGoogleTestFlagsOnly.  Is called from InitGoogleTest after the call to
-  // ParseGoogleTestFlagsOnly.  In case a user neglects to call InitGoogleTest
-  // this function is also called from RunAllTests.  Since this function can be
-  // called more than once, it has to be idempotent.
-  void PostFlagParsingInit();
-
-  // Gets the random seed used at the start of the current test iteration.
-  int random_seed() const { return random_seed_; }
-
-  // Gets the random number generator.
-  internal::Random* random() { return &random_; }
-
-  // Shuffles all test cases, and the tests within each test case,
-  // making sure that death tests are still run first.
-  void ShuffleTests();
-
-  // Restores the test cases and tests to their order before the first shuffle.
-  void UnshuffleTests();
-
-  // Returns the value of GTEST_FLAG(catch_exceptions) at the moment
-  // UnitTest::Run() starts.
-  bool catch_exceptions() const { return catch_exceptions_; }
-
- private:
-  friend class ::testing::UnitTest;
-
-  // Used by UnitTest::Run() to capture the state of
-  // GTEST_FLAG(catch_exceptions) at the moment it starts.
-  void set_catch_exceptions(bool value) { catch_exceptions_ = value; }
-
-  // The UnitTest object that owns this implementation object.
-  UnitTest* const parent_;
-
-  // The working directory when the first TEST() or TEST_F() was
-  // executed.
-  internal::FilePath original_working_dir_;
-
-  // The default test part result reporters.
-  DefaultGlobalTestPartResultReporter default_global_test_part_result_reporter_;
-  DefaultPerThreadTestPartResultReporter
-      default_per_thread_test_part_result_reporter_;
-
-  // Points to (but doesn't own) the global test part result reporter.
-  TestPartResultReporterInterface* global_test_part_result_repoter_;
-
-  // Protects read and write access to global_test_part_result_reporter_.
-  internal::Mutex global_test_part_result_reporter_mutex_;
-
-  // Points to (but doesn't own) the per-thread test part result reporter.
-  internal::ThreadLocal<TestPartResultReporterInterface*>
-      per_thread_test_part_result_reporter_;
-
-  // The vector of environments that need to be set-up/torn-down
-  // before/after the tests are run.
-  std::vector<Environment*> environments_;
-
-  // The vector of TestCases in their original order.  It owns the
-  // elements in the vector.
-  std::vector<TestCase*> test_cases_;
-
-  // Provides a level of indirection for the test case list to allow
-  // easy shuffling and restoring the test case order.  The i-th
-  // element of this vector is the index of the i-th test case in the
-  // shuffled order.
-  std::vector<int> test_case_indices_;
-
-#if GTEST_HAS_PARAM_TEST
-  // ParameterizedTestRegistry object used to register value-parameterized
-  // tests.
-  internal::ParameterizedTestCaseRegistry parameterized_test_registry_;
-
-  // Indicates whether RegisterParameterizedTests() has been called already.
-  bool parameterized_tests_registered_;
-#endif  // GTEST_HAS_PARAM_TEST
-
-  // Index of the last death test case registered.  Initially -1.
-  int last_death_test_case_;
-
-  // This points to the TestCase for the currently running test.  It
-  // changes as Google Test goes through one test case after another.
-  // When no test is running, this is set to NULL and Google Test
-  // stores assertion results in ad_hoc_test_result_.  Initially NULL.
-  TestCase* current_test_case_;
-
-  // This points to the TestInfo for the currently running test.  It
-  // changes as Google Test goes through one test after another.  When
-  // no test is running, this is set to NULL and Google Test stores
-  // assertion results in ad_hoc_test_result_.  Initially NULL.
-  TestInfo* current_test_info_;
-
-  // Normally, a user only writes assertions inside a TEST or TEST_F,
-  // or inside a function called by a TEST or TEST_F.  Since Google
-  // Test keeps track of which test is current running, it can
-  // associate such an assertion with the test it belongs to.
-  //
-  // If an assertion is encountered when no TEST or TEST_F is running,
-  // Google Test attributes the assertion result to an imaginary "ad hoc"
-  // test, and records the result in ad_hoc_test_result_.
-  TestResult ad_hoc_test_result_;
-
-  // The list of event listeners that can be used to track events inside
-  // Google Test.
-  TestEventListeners listeners_;
-
-  // The OS stack trace getter.  Will be deleted when the UnitTest
-  // object is destructed.  By default, an OsStackTraceGetter is used,
-  // but the user can set this field to use a custom getter if that is
-  // desired.
-  OsStackTraceGetterInterface* os_stack_trace_getter_;
-
-  // True iff PostFlagParsingInit() has been called.
-  bool post_flag_parse_init_performed_;
-
-  // The random number seed used at the beginning of the test run.
-  int random_seed_;
-
-  // Our random number generator.
-  internal::Random random_;
-
-  // The time of the test program start, in ms from the start of the
-  // UNIX epoch.
-  TimeInMillis start_timestamp_;
-
-  // How long the test took to run, in milliseconds.
-  TimeInMillis elapsed_time_;
-
-#if GTEST_HAS_DEATH_TEST
-  // The decomposed components of the gtest_internal_run_death_test flag,
-  // parsed when RUN_ALL_TESTS is called.
-  internal::scoped_ptr<InternalRunDeathTestFlag> internal_run_death_test_flag_;
-  internal::scoped_ptr<internal::DeathTestFactory> death_test_factory_;
-#endif  // GTEST_HAS_DEATH_TEST
-
-  // A per-thread stack of traces created by the SCOPED_TRACE() macro.
-  internal::ThreadLocal<std::vector<TraceInfo> > gtest_trace_stack_;
-
-  // The value of GTEST_FLAG(catch_exceptions) at the moment RunAllTests()
-  // starts.
-  bool catch_exceptions_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(UnitTestImpl);
-};  // class UnitTestImpl
-
-// Convenience function for accessing the global UnitTest
-// implementation object.
-inline UnitTestImpl* GetUnitTestImpl() {
-  return UnitTest::GetInstance()->impl();
-}
-
-#if GTEST_USES_SIMPLE_RE
-
-// Internal helper functions for implementing the simple regular
-// expression matcher.
-GTEST_API_ bool IsInSet(char ch, const char* str);
-GTEST_API_ bool IsAsciiDigit(char ch);
-GTEST_API_ bool IsAsciiPunct(char ch);
-GTEST_API_ bool IsRepeat(char ch);
-GTEST_API_ bool IsAsciiWhiteSpace(char ch);
-GTEST_API_ bool IsAsciiWordChar(char ch);
-GTEST_API_ bool IsValidEscape(char ch);
-GTEST_API_ bool AtomMatchesChar(bool escaped, char pattern, char ch);
-GTEST_API_ bool ValidateRegex(const char* regex);
-GTEST_API_ bool MatchRegexAtHead(const char* regex, const char* str);
-GTEST_API_ bool MatchRepetitionAndRegexAtHead(
-    bool escaped, char ch, char repeat, const char* regex, const char* str);
-GTEST_API_ bool MatchRegexAnywhere(const char* regex, const char* str);
-
-#endif  // GTEST_USES_SIMPLE_RE
-
-// Parses the command line for Google Test flags, without initializing
-// other parts of Google Test.
-GTEST_API_ void ParseGoogleTestFlagsOnly(int* argc, char** argv);
-GTEST_API_ void ParseGoogleTestFlagsOnly(int* argc, wchar_t** argv);
-
-#if GTEST_HAS_DEATH_TEST
-
-// Returns the message describing the last system error, regardless of the
-// platform.
-GTEST_API_ std::string GetLastErrnoDescription();
-
-# if GTEST_OS_WINDOWS
-// Provides leak-safe Windows kernel handle ownership.
-class AutoHandle {
- public:
-  AutoHandle() : handle_(INVALID_HANDLE_VALUE) {}
-  explicit AutoHandle(HANDLE handle) : handle_(handle) {}
-
-  ~AutoHandle() { Reset(); }
-
-  HANDLE Get() const { return handle_; }
-  void Reset() { Reset(INVALID_HANDLE_VALUE); }
-  void Reset(HANDLE handle) {
-    if (handle != handle_) {
-      if (handle_ != INVALID_HANDLE_VALUE)
-        ::CloseHandle(handle_);
-      handle_ = handle;
-    }
-  }
-
- private:
-  HANDLE handle_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(AutoHandle);
-};
-# endif  // GTEST_OS_WINDOWS
-
-// Attempts to parse a string into a positive integer pointed to by the
-// number parameter.  Returns true if that is possible.
-// GTEST_HAS_DEATH_TEST implies that we have ::std::string, so we can use
-// it here.
-template <typename Integer>
-bool ParseNaturalNumber(const ::std::string& str, Integer* number) {
-  // Fail fast if the given string does not begin with a digit;
-  // this bypasses strtoXXX's "optional leading whitespace and plus
-  // or minus sign" semantics, which are undesirable here.
-  if (str.empty() || !IsDigit(str[0])) {
-    return false;
-  }
-  errno = 0;
-
-  char* end;
-  // BiggestConvertible is the largest integer type that system-provided
-  // string-to-number conversion routines can return.
-
-# if GTEST_OS_WINDOWS && !defined(__GNUC__)
-
-  // MSVC and C++ Builder define __int64 instead of the standard long long.
-  typedef unsigned __int64 BiggestConvertible;
-  const BiggestConvertible parsed = _strtoui64(str.c_str(), &end, 10);
-
-# else
-
-  typedef unsigned long long BiggestConvertible;  // NOLINT
-  const BiggestConvertible parsed = strtoull(str.c_str(), &end, 10);
-
-# endif  // GTEST_OS_WINDOWS && !defined(__GNUC__)
-
-  const bool parse_success = *end == '\0' && errno == 0;
-
-  // TODO(vladl@google.com): Convert this to compile time assertion when it is
-  // available.
-  GTEST_CHECK_(sizeof(Integer) <= sizeof(parsed));
-
-  const Integer result = static_cast<Integer>(parsed);
-  if (parse_success && static_cast<BiggestConvertible>(result) == parsed) {
-    *number = result;
-    return true;
-  }
-  return false;
-}
-#endif  // GTEST_HAS_DEATH_TEST
-
-// TestResult contains some private methods that should be hidden from
-// Google Test user but are required for testing. This class allow our tests
-// to access them.
-//
-// This class is supplied only for the purpose of testing Google Test's own
-// constructs. Do not use it in user tests, either directly or indirectly.
-class TestResultAccessor {
- public:
-  static void RecordProperty(TestResult* test_result,
-                             const std::string& xml_element,
-                             const TestProperty& property) {
-    test_result->RecordProperty(xml_element, property);
-  }
-
-  static void ClearTestPartResults(TestResult* test_result) {
-    test_result->ClearTestPartResults();
-  }
-
-  static const std::vector<testing::TestPartResult>& test_part_results(
-      const TestResult& test_result) {
-    return test_result.test_part_results();
-  }
-};
-
-#if GTEST_CAN_STREAM_RESULTS_
-
-// Streams test results to the given port on the given host machine.
-class StreamingListener : public EmptyTestEventListener {
- public:
-  // Abstract base class for writing strings to a socket.
-  class AbstractSocketWriter {
-   public:
-    virtual ~AbstractSocketWriter() {}
-
-    // Sends a string to the socket.
-    virtual void Send(const string& message) = 0;
-
-    // Closes the socket.
-    virtual void CloseConnection() {}
-
-    // Sends a string and a newline to the socket.
-    void SendLn(const string& message) {
-      Send(message + "\n");
-    }
-  };
-
-  // Concrete class for actually writing strings to a socket.
-  class SocketWriter : public AbstractSocketWriter {
-   public:
-    SocketWriter(const string& host, const string& port)
-        : sockfd_(-1), host_name_(host), port_num_(port) {
-      MakeConnection();
-    }
-
-    virtual ~SocketWriter() {
-      if (sockfd_ != -1)
-        CloseConnection();
-    }
-
-    // Sends a string to the socket.
-    virtual void Send(const string& message) {
-      GTEST_CHECK_(sockfd_ != -1)
-          << "Send() can be called only when there is a connection.";
-
-      const int len = static_cast<int>(message.length());
-      if (write(sockfd_, message.c_str(), len) != len) {
-        GTEST_LOG_(WARNING)
-            << "stream_result_to: failed to stream to "
-            << host_name_ << ":" << port_num_;
-      }
-    }
-
-   private:
-    // Creates a client socket and connects to the server.
-    void MakeConnection();
-
-    // Closes the socket.
-    void CloseConnection() {
-      GTEST_CHECK_(sockfd_ != -1)
-          << "CloseConnection() can be called only when there is a connection.";
-
-      close(sockfd_);
-      sockfd_ = -1;
-    }
-
-    int sockfd_;  // socket file descriptor
-    const string host_name_;
-    const string port_num_;
-
-    GTEST_DISALLOW_COPY_AND_ASSIGN_(SocketWriter);
-  };  // class SocketWriter
-
-  // Escapes '=', '&', '%', and '\n' characters in str as "%xx".
-  static string UrlEncode(const char* str);
-
-  StreamingListener(const string& host, const string& port)
-      : socket_writer_(new SocketWriter(host, port)) { Start(); }
-
-  explicit StreamingListener(AbstractSocketWriter* socket_writer)
-      : socket_writer_(socket_writer) { Start(); }
-
-  void OnTestProgramStart(const UnitTest& /* unit_test */) {
-    SendLn("event=TestProgramStart");
-  }
-
-  void OnTestProgramEnd(const UnitTest& unit_test) {
-    // Note that Google Test current only report elapsed time for each
-    // test iteration, not for the entire test program.
-    SendLn("event=TestProgramEnd&passed=" + FormatBool(unit_test.Passed()));
-
-    // Notify the streaming server to stop.
-    socket_writer_->CloseConnection();
-  }
-
-  void OnTestIterationStart(const UnitTest& /* unit_test */, int iteration) {
-    SendLn("event=TestIterationStart&iteration=" +
-           StreamableToString(iteration));
-  }
-
-  void OnTestIterationEnd(const UnitTest& unit_test, int /* iteration */) {
-    SendLn("event=TestIterationEnd&passed=" +
-           FormatBool(unit_test.Passed()) + "&elapsed_time=" +
-           StreamableToString(unit_test.elapsed_time()) + "ms");
-  }
-
-  void OnTestCaseStart(const TestCase& test_case) {
-    SendLn(std::string("event=TestCaseStart&name=") + test_case.name());
-  }
-
-  void OnTestCaseEnd(const TestCase& test_case) {
-    SendLn("event=TestCaseEnd&passed=" + FormatBool(test_case.Passed())
-           + "&elapsed_time=" + StreamableToString(test_case.elapsed_time())
-           + "ms");
-  }
-
-  void OnTestStart(const TestInfo& test_info) {
-    SendLn(std::string("event=TestStart&name=") + test_info.name());
-  }
-
-  void OnTestEnd(const TestInfo& test_info) {
-    SendLn("event=TestEnd&passed=" +
-           FormatBool((test_info.result())->Passed()) +
-           "&elapsed_time=" +
-           StreamableToString((test_info.result())->elapsed_time()) + "ms");
-  }
-
-  void OnTestPartResult(const TestPartResult& test_part_result) {
-    const char* file_name = test_part_result.file_name();
-    if (file_name == NULL)
-      file_name = "";
-    SendLn("event=TestPartResult&file=" + UrlEncode(file_name) +
-           "&line=" + StreamableToString(test_part_result.line_number()) +
-           "&message=" + UrlEncode(test_part_result.message()));
-  }
-
- private:
-  // Sends the given message and a newline to the socket.
-  void SendLn(const string& message) { socket_writer_->SendLn(message); }
-
-  // Called at the start of streaming to notify the receiver what
-  // protocol we are using.
-  void Start() { SendLn("gtest_streaming_protocol_version=1.0"); }
-
-  string FormatBool(bool value) { return value ? "1" : "0"; }
-
-  const scoped_ptr<AbstractSocketWriter> socket_writer_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(StreamingListener);
-};  // class StreamingListener
-
-#endif  // GTEST_CAN_STREAM_RESULTS_
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_SRC_GTEST_INTERNAL_INL_H_
-#undef GTEST_IMPLEMENTATION_
-
-#if GTEST_OS_WINDOWS
-# define vsnprintf _vsnprintf
-#endif  // GTEST_OS_WINDOWS
-
-namespace testing {
-
-using internal::CountIf;
-using internal::ForEach;
-using internal::GetElementOr;
-using internal::Shuffle;
-
-// Constants.
-
-// A test whose test case name or test name matches this filter is
-// disabled and not run.
-static const char kDisableTestFilter[] = "DISABLED_*:*/DISABLED_*";
-
-// A test case whose name matches this filter is considered a death
-// test case and will be run before test cases whose name doesn't
-// match this filter.
-static const char kDeathTestCaseFilter[] = "*DeathTest:*DeathTest/*";
-
-// A test filter that matches everything.
-static const char kUniversalFilter[] = "*";
-
-// The default output file for XML output.
-static const char kDefaultOutputFile[] = "test_detail.xml";
-
-// The environment variable name for the test shard index.
-static const char kTestShardIndex[] = "GTEST_SHARD_INDEX";
-// The environment variable name for the total number of test shards.
-static const char kTestTotalShards[] = "GTEST_TOTAL_SHARDS";
-// The environment variable name for the test shard status file.
-static const char kTestShardStatusFile[] = "GTEST_SHARD_STATUS_FILE";
-
-namespace internal {
-
-// The text used in failure messages to indicate the start of the
-// stack trace.
-const char kStackTraceMarker[] = "\nStack trace:\n";
-
-// g_help_flag is true iff the --help flag or an equivalent form is
-// specified on the command line.
-bool g_help_flag = false;
-
-}  // namespace internal
-
-static const char* GetDefaultFilter() {
-  return kUniversalFilter;
-}
-
-GTEST_DEFINE_bool_(
-    also_run_disabled_tests,
-    internal::BoolFromGTestEnv("also_run_disabled_tests", false),
-    "Run disabled tests too, in addition to the tests normally being run.");
-
-GTEST_DEFINE_bool_(
-    break_on_failure,
-    internal::BoolFromGTestEnv("break_on_failure", false),
-    "True iff a failed assertion should be a debugger break-point.");
-
-GTEST_DEFINE_bool_(
-    catch_exceptions,
-    internal::BoolFromGTestEnv("catch_exceptions", true),
-    "True iff " GTEST_NAME_
-    " should catch exceptions and treat them as test failures.");
-
-GTEST_DEFINE_string_(
-    color,
-    internal::StringFromGTestEnv("color", "auto"),
-    "Whether to use colors in the output.  Valid values: yes, no, "
-    "and auto.  'auto' means to use colors if the output is "
-    "being sent to a terminal and the TERM environment variable "
-    "is set to a terminal type that supports colors.");
-
-GTEST_DEFINE_string_(
-    filter,
-    internal::StringFromGTestEnv("filter", GetDefaultFilter()),
-    "A colon-separated list of glob (not regex) patterns "
-    "for filtering the tests to run, optionally followed by a "
-    "'-' and a : separated list of negative patterns (tests to "
-    "exclude).  A test is run if it matches one of the positive "
-    "patterns and does not match any of the negative patterns.");
-
-GTEST_DEFINE_bool_(list_tests, false,
-                   "List all tests without running them.");
-
-GTEST_DEFINE_string_(
-    output,
-    internal::StringFromGTestEnv("output", ""),
-    "A format (currently must be \"xml\"), optionally followed "
-    "by a colon and an output file name or directory. A directory "
-    "is indicated by a trailing pathname separator. "
-    "Examples: \"xml:filename.xml\", \"xml::directoryname/\". "
-    "If a directory is specified, output files will be created "
-    "within that directory, with file-names based on the test "
-    "executable's name and, if necessary, made unique by adding "
-    "digits.");
-
-GTEST_DEFINE_bool_(
-    print_time,
-    internal::BoolFromGTestEnv("print_time", true),
-    "True iff " GTEST_NAME_
-    " should display elapsed time in text output.");
-
-GTEST_DEFINE_int32_(
-    random_seed,
-    internal::Int32FromGTestEnv("random_seed", 0),
-    "Random number seed to use when shuffling test orders.  Must be in range "
-    "[1, 99999], or 0 to use a seed based on the current time.");
-
-GTEST_DEFINE_int32_(
-    repeat,
-    internal::Int32FromGTestEnv("repeat", 1),
-    "How many times to repeat each test.  Specify a negative number "
-    "for repeating forever.  Useful for shaking out flaky tests.");
-
-GTEST_DEFINE_bool_(
-    show_internal_stack_frames, false,
-    "True iff " GTEST_NAME_ " should include internal stack frames when "
-    "printing test failure stack traces.");
-
-GTEST_DEFINE_bool_(
-    shuffle,
-    internal::BoolFromGTestEnv("shuffle", false),
-    "True iff " GTEST_NAME_
-    " should randomize tests' order on every run.");
-
-GTEST_DEFINE_int32_(
-    stack_trace_depth,
-    internal::Int32FromGTestEnv("stack_trace_depth", kMaxStackTraceDepth),
-    "The maximum number of stack frames to print when an "
-    "assertion fails.  The valid range is 0 through 100, inclusive.");
-
-GTEST_DEFINE_string_(
-    stream_result_to,
-    internal::StringFromGTestEnv("stream_result_to", ""),
-    "This flag specifies the host name and the port number on which to stream "
-    "test results. Example: \"localhost:555\". The flag is effective only on "
-    "Linux.");
-
-GTEST_DEFINE_bool_(
-    throw_on_failure,
-    internal::BoolFromGTestEnv("throw_on_failure", false),
-    "When this flag is specified, a failed assertion will throw an exception "
-    "if exceptions are enabled or exit the program with a non-zero code "
-    "otherwise.");
-
-namespace internal {
-
-// Generates a random number from [0, range), using a Linear
-// Congruential Generator (LCG).  Crashes if 'range' is 0 or greater
-// than kMaxRange.
-UInt32 Random::Generate(UInt32 range) {
-  // These constants are the same as are used in glibc's rand(3).
-  state_ = (1103515245U*state_ + 12345U) % kMaxRange;
-
-  GTEST_CHECK_(range > 0)
-      << "Cannot generate a number in the range [0, 0).";
-  GTEST_CHECK_(range <= kMaxRange)
-      << "Generation of a number in [0, " << range << ") was requested, "
-      << "but this can only generate numbers in [0, " << kMaxRange << ").";
-
-  // Converting via modulus introduces a bit of downward bias, but
-  // it's simple, and a linear congruential generator isn't too good
-  // to begin with.
-  return state_ % range;
-}
-
-// GTestIsInitialized() returns true iff the user has initialized
-// Google Test.  Useful for catching the user mistake of not initializing
-// Google Test before calling RUN_ALL_TESTS().
-//
-// A user must call testing::InitGoogleTest() to initialize Google
-// Test.  g_init_gtest_count is set to the number of times
-// InitGoogleTest() has been called.  We don't protect this variable
-// under a mutex as it is only accessed in the main thread.
-GTEST_API_ int g_init_gtest_count = 0;
-static bool GTestIsInitialized() { return g_init_gtest_count != 0; }
-
-// Iterates over a vector of TestCases, keeping a running sum of the
-// results of calling a given int-returning method on each.
-// Returns the sum.
-static int SumOverTestCaseList(const std::vector<TestCase*>& case_list,
-                               int (TestCase::*method)() const) {
-  int sum = 0;
-  for (size_t i = 0; i < case_list.size(); i++) {
-    sum += (case_list[i]->*method)();
-  }
-  return sum;
-}
-
-// Returns true iff the test case passed.
-static bool TestCasePassed(const TestCase* test_case) {
-  return test_case->should_run() && test_case->Passed();
-}
-
-// Returns true iff the test case failed.
-static bool TestCaseFailed(const TestCase* test_case) {
-  return test_case->should_run() && test_case->Failed();
-}
-
-// Returns true iff test_case contains at least one test that should
-// run.
-static bool ShouldRunTestCase(const TestCase* test_case) {
-  return test_case->should_run();
-}
-
-// AssertHelper constructor.
-AssertHelper::AssertHelper(TestPartResult::Type type,
-                           const char* file,
-                           int line,
-                           const char* message)
-    : data_(new AssertHelperData(type, file, line, message)) {
-}
-
-AssertHelper::~AssertHelper() {
-  delete data_;
-}
-
-// Message assignment, for assertion streaming support.
-void AssertHelper::operator=(const Message& message) const {
-  UnitTest::GetInstance()->
-    AddTestPartResult(data_->type, data_->file, data_->line,
-                      AppendUserMessage(data_->message, message),
-                      UnitTest::GetInstance()->impl()
-                      ->CurrentOsStackTraceExceptTop(1)
-                      // Skips the stack frame for this function itself.
-                      );  // NOLINT
-}
-
-// Mutex for linked pointers.
-GTEST_API_ GTEST_DEFINE_STATIC_MUTEX_(g_linked_ptr_mutex);
-
-// Application pathname gotten in InitGoogleTest.
-std::string g_executable_path;
-
-// Returns the current application's name, removing directory path if that
-// is present.
-FilePath GetCurrentExecutableName() {
-  FilePath result;
-
-#if GTEST_OS_WINDOWS
-  result.Set(FilePath(g_executable_path).RemoveExtension("exe"));
-#else
-  result.Set(FilePath(g_executable_path));
-#endif  // GTEST_OS_WINDOWS
-
-  return result.RemoveDirectoryName();
-}
-
-// Functions for processing the gtest_output flag.
-
-// Returns the output format, or "" for normal printed output.
-std::string UnitTestOptions::GetOutputFormat() {
-  const char* const gtest_output_flag = GTEST_FLAG(output).c_str();
-  if (gtest_output_flag == NULL) return std::string("");
-
-  const char* const colon = strchr(gtest_output_flag, ':');
-  return (colon == NULL) ?
-      std::string(gtest_output_flag) :
-      std::string(gtest_output_flag, colon - gtest_output_flag);
-}
-
-// Returns the name of the requested output file, or the default if none
-// was explicitly specified.
-std::string UnitTestOptions::GetAbsolutePathToOutputFile() {
-  const char* const gtest_output_flag = GTEST_FLAG(output).c_str();
-  if (gtest_output_flag == NULL)
-    return "";
-
-  const char* const colon = strchr(gtest_output_flag, ':');
-  if (colon == NULL)
-    return internal::FilePath::ConcatPaths(
-        internal::FilePath(
-            UnitTest::GetInstance()->original_working_dir()),
-        internal::FilePath(kDefaultOutputFile)).string();
-
-  internal::FilePath output_name(colon + 1);
-  if (!output_name.IsAbsolutePath())
-    // TODO(wan@google.com): on Windows \some\path is not an absolute
-    // path (as its meaning depends on the current drive), yet the
-    // following logic for turning it into an absolute path is wrong.
-    // Fix it.
-    output_name = internal::FilePath::ConcatPaths(
-        internal::FilePath(UnitTest::GetInstance()->original_working_dir()),
-        internal::FilePath(colon + 1));
-
-  if (!output_name.IsDirectory())
-    return output_name.string();
-
-  internal::FilePath result(internal::FilePath::GenerateUniqueFileName(
-      output_name, internal::GetCurrentExecutableName(),
-      GetOutputFormat().c_str()));
-  return result.string();
-}
-
-// Returns true iff the wildcard pattern matches the string.  The
-// first ':' or '\0' character in pattern marks the end of it.
-//
-// This recursive algorithm isn't very efficient, but is clear and
-// works well enough for matching test names, which are short.
-bool UnitTestOptions::PatternMatchesString(const char *pattern,
-                                           const char *str) {
-  switch (*pattern) {
-    case '\0':
-    case ':':  // Either ':' or '\0' marks the end of the pattern.
-      return *str == '\0';
-    case '?':  // Matches any single character.
-      return *str != '\0' && PatternMatchesString(pattern + 1, str + 1);
-    case '*':  // Matches any string (possibly empty) of characters.
-      return (*str != '\0' && PatternMatchesString(pattern, str + 1)) ||
-          PatternMatchesString(pattern + 1, str);
-    default:  // Non-special character.  Matches itself.
-      return *pattern == *str &&
-          PatternMatchesString(pattern + 1, str + 1);
-  }
-}
-
-bool UnitTestOptions::MatchesFilter(
-    const std::string& name, const char* filter) {
-  const char *cur_pattern = filter;
-  for (;;) {
-    if (PatternMatchesString(cur_pattern, name.c_str())) {
-      return true;
-    }
-
-    // Finds the next pattern in the filter.
-    cur_pattern = strchr(cur_pattern, ':');
-
-    // Returns if no more pattern can be found.
-    if (cur_pattern == NULL) {
-      return false;
-    }
-
-    // Skips the pattern separater (the ':' character).
-    cur_pattern++;
-  }
-}
-
-// Returns true iff the user-specified filter matches the test case
-// name and the test name.
-bool UnitTestOptions::FilterMatchesTest(const std::string &test_case_name,
-                                        const std::string &test_name) {
-  const std::string& full_name = test_case_name + "." + test_name.c_str();
-
-  // Split --gtest_filter at '-', if there is one, to separate into
-  // positive filter and negative filter portions
-  const char* const p = GTEST_FLAG(filter).c_str();
-  const char* const dash = strchr(p, '-');
-  std::string positive;
-  std::string negative;
-  if (dash == NULL) {
-    positive = GTEST_FLAG(filter).c_str();  // Whole string is a positive filter
-    negative = "";
-  } else {
-    positive = std::string(p, dash);   // Everything up to the dash
-    negative = std::string(dash + 1);  // Everything after the dash
-    if (positive.empty()) {
-      // Treat '-test1' as the same as '*-test1'
-      positive = kUniversalFilter;
-    }
-  }
-
-  // A filter is a colon-separated list of patterns.  It matches a
-  // test if any pattern in it matches the test.
-  return (MatchesFilter(full_name, positive.c_str()) &&
-          !MatchesFilter(full_name, negative.c_str()));
-}
-
-#if GTEST_HAS_SEH
-// Returns EXCEPTION_EXECUTE_HANDLER if Google Test should handle the
-// given SEH exception, or EXCEPTION_CONTINUE_SEARCH otherwise.
-// This function is useful as an __except condition.
-int UnitTestOptions::GTestShouldProcessSEH(DWORD exception_code) {
-  // Google Test should handle a SEH exception if:
-  //   1. the user wants it to, AND
-  //   2. this is not a breakpoint exception, AND
-  //   3. this is not a C++ exception (VC++ implements them via SEH,
-  //      apparently).
-  //
-  // SEH exception code for C++ exceptions.
-  // (see http://support.microsoft.com/kb/185294 for more information).
-  const DWORD kCxxExceptionCode = 0xe06d7363;
-
-  bool should_handle = true;
-
-  if (!GTEST_FLAG(catch_exceptions))
-    should_handle = false;
-  else if (exception_code == EXCEPTION_BREAKPOINT)
-    should_handle = false;
-  else if (exception_code == kCxxExceptionCode)
-    should_handle = false;
-
-  return should_handle ? EXCEPTION_EXECUTE_HANDLER : EXCEPTION_CONTINUE_SEARCH;
-}
-#endif  // GTEST_HAS_SEH
-
-}  // namespace internal
-
-// The c'tor sets this object as the test part result reporter used by
-// Google Test.  The 'result' parameter specifies where to report the
-// results. Intercepts only failures from the current thread.
-ScopedFakeTestPartResultReporter::ScopedFakeTestPartResultReporter(
-    TestPartResultArray* result)
-    : intercept_mode_(INTERCEPT_ONLY_CURRENT_THREAD),
-      result_(result) {
-  Init();
-}
-
-// The c'tor sets this object as the test part result reporter used by
-// Google Test.  The 'result' parameter specifies where to report the
-// results.
-ScopedFakeTestPartResultReporter::ScopedFakeTestPartResultReporter(
-    InterceptMode intercept_mode, TestPartResultArray* result)
-    : intercept_mode_(intercept_mode),
-      result_(result) {
-  Init();
-}
-
-void ScopedFakeTestPartResultReporter::Init() {
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  if (intercept_mode_ == INTERCEPT_ALL_THREADS) {
-    old_reporter_ = impl->GetGlobalTestPartResultReporter();
-    impl->SetGlobalTestPartResultReporter(this);
-  } else {
-    old_reporter_ = impl->GetTestPartResultReporterForCurrentThread();
-    impl->SetTestPartResultReporterForCurrentThread(this);
-  }
-}
-
-// The d'tor restores the test part result reporter used by Google Test
-// before.
-ScopedFakeTestPartResultReporter::~ScopedFakeTestPartResultReporter() {
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  if (intercept_mode_ == INTERCEPT_ALL_THREADS) {
-    impl->SetGlobalTestPartResultReporter(old_reporter_);
-  } else {
-    impl->SetTestPartResultReporterForCurrentThread(old_reporter_);
-  }
-}
-
-// Increments the test part result count and remembers the result.
-// This method is from the TestPartResultReporterInterface interface.
-void ScopedFakeTestPartResultReporter::ReportTestPartResult(
-    const TestPartResult& result) {
-  result_->Append(result);
-}
-
-namespace internal {
-
-// Returns the type ID of ::testing::Test.  We should always call this
-// instead of GetTypeId< ::testing::Test>() to get the type ID of
-// testing::Test.  This is to work around a suspected linker bug when
-// using Google Test as a framework on Mac OS X.  The bug causes
-// GetTypeId< ::testing::Test>() to return different values depending
-// on whether the call is from the Google Test framework itself or
-// from user test code.  GetTestTypeId() is guaranteed to always
-// return the same value, as it always calls GetTypeId<>() from the
-// gtest.cc, which is within the Google Test framework.
-TypeId GetTestTypeId() {
-  return GetTypeId<Test>();
-}
-
-// The value of GetTestTypeId() as seen from within the Google Test
-// library.  This is solely for testing GetTestTypeId().
-extern const TypeId kTestTypeIdInGoogleTest = GetTestTypeId();
-
-// This predicate-formatter checks that 'results' contains a test part
-// failure of the given type and that the failure message contains the
-// given substring.
-AssertionResult HasOneFailure(const char* /* results_expr */,
-                              const char* /* type_expr */,
-                              const char* /* substr_expr */,
-                              const TestPartResultArray& results,
-                              TestPartResult::Type type,
-                              const string& substr) {
-  const std::string expected(type == TestPartResult::kFatalFailure ?
-                        "1 fatal failure" :
-                        "1 non-fatal failure");
-  Message msg;
-  if (results.size() != 1) {
-    msg << "Expected: " << expected << "\n"
-        << "  Actual: " << results.size() << " failures";
-    for (int i = 0; i < results.size(); i++) {
-      msg << "\n" << results.GetTestPartResult(i);
-    }
-    return AssertionFailure() << msg;
-  }
-
-  const TestPartResult& r = results.GetTestPartResult(0);
-  if (r.type() != type) {
-    return AssertionFailure() << "Expected: " << expected << "\n"
-                              << "  Actual:\n"
-                              << r;
-  }
-
-  if (strstr(r.message(), substr.c_str()) == NULL) {
-    return AssertionFailure() << "Expected: " << expected << " containing \""
-                              << substr << "\"\n"
-                              << "  Actual:\n"
-                              << r;
-  }
-
-  return AssertionSuccess();
-}
-
-// The constructor of SingleFailureChecker remembers where to look up
-// test part results, what type of failure we expect, and what
-// substring the failure message should contain.
-SingleFailureChecker:: SingleFailureChecker(
-    const TestPartResultArray* results,
-    TestPartResult::Type type,
-    const string& substr)
-    : results_(results),
-      type_(type),
-      substr_(substr) {}
-
-// The destructor of SingleFailureChecker verifies that the given
-// TestPartResultArray contains exactly one failure that has the given
-// type and contains the given substring.  If that's not the case, a
-// non-fatal failure will be generated.
-SingleFailureChecker::~SingleFailureChecker() {
-  EXPECT_PRED_FORMAT3(HasOneFailure, *results_, type_, substr_);
-}
-
-DefaultGlobalTestPartResultReporter::DefaultGlobalTestPartResultReporter(
-    UnitTestImpl* unit_test) : unit_test_(unit_test) {}
-
-void DefaultGlobalTestPartResultReporter::ReportTestPartResult(
-    const TestPartResult& result) {
-  unit_test_->current_test_result()->AddTestPartResult(result);
-  unit_test_->listeners()->repeater()->OnTestPartResult(result);
-}
-
-DefaultPerThreadTestPartResultReporter::DefaultPerThreadTestPartResultReporter(
-    UnitTestImpl* unit_test) : unit_test_(unit_test) {}
-
-void DefaultPerThreadTestPartResultReporter::ReportTestPartResult(
-    const TestPartResult& result) {
-  unit_test_->GetGlobalTestPartResultReporter()->ReportTestPartResult(result);
-}
-
-// Returns the global test part result reporter.
-TestPartResultReporterInterface*
-UnitTestImpl::GetGlobalTestPartResultReporter() {
-  internal::MutexLock lock(&global_test_part_result_reporter_mutex_);
-  return global_test_part_result_repoter_;
-}
-
-// Sets the global test part result reporter.
-void UnitTestImpl::SetGlobalTestPartResultReporter(
-    TestPartResultReporterInterface* reporter) {
-  internal::MutexLock lock(&global_test_part_result_reporter_mutex_);
-  global_test_part_result_repoter_ = reporter;
-}
-
-// Returns the test part result reporter for the current thread.
-TestPartResultReporterInterface*
-UnitTestImpl::GetTestPartResultReporterForCurrentThread() {
-  return per_thread_test_part_result_reporter_.get();
-}
-
-// Sets the test part result reporter for the current thread.
-void UnitTestImpl::SetTestPartResultReporterForCurrentThread(
-    TestPartResultReporterInterface* reporter) {
-  per_thread_test_part_result_reporter_.set(reporter);
-}
-
-// Gets the number of successful test cases.
-int UnitTestImpl::successful_test_case_count() const {
-  return CountIf(test_cases_, TestCasePassed);
-}
-
-// Gets the number of failed test cases.
-int UnitTestImpl::failed_test_case_count() const {
-  return CountIf(test_cases_, TestCaseFailed);
-}
-
-// Gets the number of all test cases.
-int UnitTestImpl::total_test_case_count() const {
-  return static_cast<int>(test_cases_.size());
-}
-
-// Gets the number of all test cases that contain at least one test
-// that should run.
-int UnitTestImpl::test_case_to_run_count() const {
-  return CountIf(test_cases_, ShouldRunTestCase);
-}
-
-// Gets the number of successful tests.
-int UnitTestImpl::successful_test_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::successful_test_count);
-}
-
-// Gets the number of failed tests.
-int UnitTestImpl::failed_test_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::failed_test_count);
-}
-
-// Gets the number of disabled tests that will be reported in the XML report.
-int UnitTestImpl::reportable_disabled_test_count() const {
-  return SumOverTestCaseList(test_cases_,
-                             &TestCase::reportable_disabled_test_count);
-}
-
-// Gets the number of disabled tests.
-int UnitTestImpl::disabled_test_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::disabled_test_count);
-}
-
-// Gets the number of tests to be printed in the XML report.
-int UnitTestImpl::reportable_test_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::reportable_test_count);
-}
-
-// Gets the number of all tests.
-int UnitTestImpl::total_test_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::total_test_count);
-}
-
-// Gets the number of tests that should run.
-int UnitTestImpl::test_to_run_count() const {
-  return SumOverTestCaseList(test_cases_, &TestCase::test_to_run_count);
-}
-
-// Returns the current OS stack trace as an std::string.
-//
-// The maximum number of stack frames to be included is specified by
-// the gtest_stack_trace_depth flag.  The skip_count parameter
-// specifies the number of top frames to be skipped, which doesn't
-// count against the number of frames to be included.
-//
-// For example, if Foo() calls Bar(), which in turn calls
-// CurrentOsStackTraceExceptTop(1), Foo() will be included in the
-// trace but Bar() and CurrentOsStackTraceExceptTop() won't.
-std::string UnitTestImpl::CurrentOsStackTraceExceptTop(int skip_count) {
-  (void)skip_count;
-  return "";
-}
-
-// Returns the current time in milliseconds.
-TimeInMillis GetTimeInMillis() {
-#if GTEST_OS_WINDOWS_MOBILE || defined(__BORLANDC__)
-  // Difference between 1970-01-01 and 1601-01-01 in milliseconds.
-  // http://analogous.blogspot.com/2005/04/epoch.html
-  const TimeInMillis kJavaEpochToWinFileTimeDelta =
-    static_cast<TimeInMillis>(116444736UL) * 100000UL;
-  const DWORD kTenthMicrosInMilliSecond = 10000;
-
-  SYSTEMTIME now_systime;
-  FILETIME now_filetime;
-  ULARGE_INTEGER now_int64;
-  // TODO(kenton@google.com): Shouldn't this just use
-  //   GetSystemTimeAsFileTime()?
-  GetSystemTime(&now_systime);
-  if (SystemTimeToFileTime(&now_systime, &now_filetime)) {
-    now_int64.LowPart = now_filetime.dwLowDateTime;
-    now_int64.HighPart = now_filetime.dwHighDateTime;
-    now_int64.QuadPart = (now_int64.QuadPart / kTenthMicrosInMilliSecond) -
-      kJavaEpochToWinFileTimeDelta;
-    return now_int64.QuadPart;
-  }
-  return 0;
-#elif GTEST_OS_WINDOWS && !GTEST_HAS_GETTIMEOFDAY_
-  __timeb64 now;
-
-# ifdef _MSC_VER
-
-  // MSVC 8 deprecates _ftime64(), so we want to suppress warning 4996
-  // (deprecated function) there.
-  // TODO(kenton@google.com): Use GetTickCount()?  Or use
-  //   SystemTimeToFileTime()
-#  pragma warning(push)          // Saves the current warning state.
-#  pragma warning(disable:4996)  // Temporarily disables warning 4996.
-  _ftime64(&now);
-#  pragma warning(pop)           // Restores the warning state.
-# else
-
-  _ftime64(&now);
-
-# endif  // _MSC_VER
-
-  return static_cast<TimeInMillis>(now.time) * 1000 + now.millitm;
-#elif GTEST_HAS_GETTIMEOFDAY_
-  struct timeval now;
-  gettimeofday(&now, NULL);
-  return static_cast<TimeInMillis>(now.tv_sec) * 1000 + now.tv_usec / 1000;
-#else
-# error "Don't know how to get the current time on your system."
-#endif
-}
-
-// Utilities
-
-// class String.
-
-#if GTEST_OS_WINDOWS_MOBILE
-// Creates a UTF-16 wide string from the given ANSI string, allocating
-// memory using new. The caller is responsible for deleting the return
-// value using delete[]. Returns the wide string, or NULL if the
-// input is NULL.
-LPCWSTR String::AnsiToUtf16(const char* ansi) {
-  if (!ansi) return NULL;
-  const int length = strlen(ansi);
-  const int unicode_length =
-      MultiByteToWideChar(CP_ACP, 0, ansi, length,
-                          NULL, 0);
-  WCHAR* unicode = new WCHAR[unicode_length + 1];
-  MultiByteToWideChar(CP_ACP, 0, ansi, length,
-                      unicode, unicode_length);
-  unicode[unicode_length] = 0;
-  return unicode;
-}
-
-// Creates an ANSI string from the given wide string, allocating
-// memory using new. The caller is responsible for deleting the return
-// value using delete[]. Returns the ANSI string, or NULL if the
-// input is NULL.
-const char* String::Utf16ToAnsi(LPCWSTR utf16_str)  {
-  if (!utf16_str) return NULL;
-  const int ansi_length =
-      WideCharToMultiByte(CP_ACP, 0, utf16_str, -1,
-                          NULL, 0, NULL, NULL);
-  char* ansi = new char[ansi_length + 1];
-  WideCharToMultiByte(CP_ACP, 0, utf16_str, -1,
-                      ansi, ansi_length, NULL, NULL);
-  ansi[ansi_length] = 0;
-  return ansi;
-}
-
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-// Compares two C strings.  Returns true iff they have the same content.
-//
-// Unlike strcmp(), this function can handle NULL argument(s).  A NULL
-// C string is considered different to any non-NULL C string,
-// including the empty string.
-bool String::CStringEquals(const char * lhs, const char * rhs) {
-  if ( lhs == NULL ) return rhs == NULL;
-
-  if ( rhs == NULL ) return false;
-
-  return strcmp(lhs, rhs) == 0;
-}
-
-#if GTEST_HAS_STD_WSTRING || GTEST_HAS_GLOBAL_WSTRING
-
-// Converts an array of wide chars to a narrow string using the UTF-8
-// encoding, and streams the result to the given Message object.
-static void StreamWideCharsToMessage(const wchar_t* wstr, size_t length,
-                                     Message* msg) {
-  for (size_t i = 0; i != length; ) {  // NOLINT
-    if (wstr[i] != L'\0') {
-      *msg << WideStringToUtf8(wstr + i, static_cast<int>(length - i));
-      while (i != length && wstr[i] != L'\0')
-        i++;
-    } else {
-      *msg << '\0';
-      i++;
-    }
-  }
-}
-
-#endif  // GTEST_HAS_STD_WSTRING || GTEST_HAS_GLOBAL_WSTRING
-
-}  // namespace internal
-
-// Constructs an empty Message.
-// We allocate the stringstream separately because otherwise each use of
-// ASSERT/EXPECT in a procedure adds over 200 bytes to the procedure's
-// stack frame leading to huge stack frames in some cases; gcc does not reuse
-// the stack space.
-Message::Message() : ss_(new ::std::stringstream) {
-  // By default, we want there to be enough precision when printing
-  // a double to a Message.
-  *ss_ << std::setprecision(std::numeric_limits<double>::digits10 + 2);
-}
-
-// These two overloads allow streaming a wide C string to a Message
-// using the UTF-8 encoding.
-Message& Message::operator <<(const wchar_t* wide_c_str) {
-  return *this << internal::String::ShowWideCString(wide_c_str);
-}
-Message& Message::operator <<(wchar_t* wide_c_str) {
-  return *this << internal::String::ShowWideCString(wide_c_str);
-}
-
-#if GTEST_HAS_STD_WSTRING
-// Converts the given wide string to a narrow string using the UTF-8
-// encoding, and streams the result to this Message object.
-Message& Message::operator <<(const ::std::wstring& wstr) {
-  internal::StreamWideCharsToMessage(wstr.c_str(), wstr.length(), this);
-  return *this;
-}
-#endif  // GTEST_HAS_STD_WSTRING
-
-#if GTEST_HAS_GLOBAL_WSTRING
-// Converts the given wide string to a narrow string using the UTF-8
-// encoding, and streams the result to this Message object.
-Message& Message::operator <<(const ::wstring& wstr) {
-  internal::StreamWideCharsToMessage(wstr.c_str(), wstr.length(), this);
-  return *this;
-}
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-// Gets the text streamed to this object so far as an std::string.
-// Each '\0' character in the buffer is replaced with "\\0".
-std::string Message::GetString() const {
-  return internal::StringStreamToString(ss_.get());
-}
-
-// AssertionResult constructors.
-// Used in EXPECT_TRUE/FALSE(assertion_result).
-AssertionResult::AssertionResult(const AssertionResult& other)
-    : success_(other.success_),
-      message_(other.message_.get() != NULL ?
-               new ::std::string(*other.message_) :
-               static_cast< ::std::string*>(NULL)) {
-}
-
-// Returns the assertion's negation. Used with EXPECT/ASSERT_FALSE.
-AssertionResult AssertionResult::operator!() const {
-  AssertionResult negation(!success_);
-  if (message_.get() != NULL)
-    negation << *message_;
-  return negation;
-}
-
-// Makes a successful assertion result.
-AssertionResult AssertionSuccess() {
-  return AssertionResult(true);
-}
-
-// Makes a failed assertion result.
-AssertionResult AssertionFailure() {
-  return AssertionResult(false);
-}
-
-// Makes a failed assertion result with the given failure message.
-// Deprecated; use AssertionFailure() << message.
-AssertionResult AssertionFailure(const Message& message) {
-  return AssertionFailure() << message;
-}
-
-namespace internal {
-
-// Constructs and returns the message for an equality assertion
-// (e.g. ASSERT_EQ, EXPECT_STREQ, etc) failure.
-//
-// The first four parameters are the expressions used in the assertion
-// and their values, as strings.  For example, for ASSERT_EQ(foo, bar)
-// where foo is 5 and bar is 6, we have:
-//
-//   expected_expression: "foo"
-//   actual_expression:   "bar"
-//   expected_value:      "5"
-//   actual_value:        "6"
-//
-// The ignoring_case parameter is true iff the assertion is a
-// *_STRCASEEQ*.  When it's true, the string " (ignoring case)" will
-// be inserted into the message.
-AssertionResult EqFailure(const char* expected_expression,
-                          const char* actual_expression,
-                          const std::string& expected_value,
-                          const std::string& actual_value,
-                          bool ignoring_case) {
-  Message msg;
-  msg << "Value of: " << actual_expression;
-  if (actual_value != actual_expression) {
-    msg << "\n  Actual: " << actual_value;
-  }
-
-  msg << "\nExpected: " << expected_expression;
-  if (ignoring_case) {
-    msg << " (ignoring case)";
-  }
-  if (expected_value != expected_expression) {
-    msg << "\nWhich is: " << expected_value;
-  }
-
-  return AssertionFailure() << msg;
-}
-
-// Constructs a failure message for Boolean assertions such as EXPECT_TRUE.
-std::string GetBoolAssertionFailureMessage(
-    const AssertionResult& assertion_result,
-    const char* expression_text,
-    const char* actual_predicate_value,
-    const char* expected_predicate_value) {
-  const char* actual_message = assertion_result.message();
-  Message msg;
-  msg << "Value of: " << expression_text
-      << "\n  Actual: " << actual_predicate_value;
-  if (actual_message[0] != '\0')
-    msg << " (" << actual_message << ")";
-  msg << "\nExpected: " << expected_predicate_value;
-  return msg.GetString();
-}
-
-// Helper function for implementing ASSERT_NEAR.
-AssertionResult DoubleNearPredFormat(const char* expr1,
-                                     const char* expr2,
-                                     const char* abs_error_expr,
-                                     double val1,
-                                     double val2,
-                                     double abs_error) {
-  const double diff = fabs(val1 - val2);
-  if (diff <= abs_error) return AssertionSuccess();
-
-  // TODO(wan): do not print the value of an expression if it's
-  // already a literal.
-  return AssertionFailure()
-      << "The difference between " << expr1 << " and " << expr2
-      << " is " << diff << ", which exceeds " << abs_error_expr << ", where\n"
-      << expr1 << " evaluates to " << val1 << ",\n"
-      << expr2 << " evaluates to " << val2 << ", and\n"
-      << abs_error_expr << " evaluates to " << abs_error << ".";
-}
-
-
-// Helper template for implementing FloatLE() and DoubleLE().
-template <typename RawType>
-AssertionResult FloatingPointLE(const char* expr1,
-                                const char* expr2,
-                                RawType val1,
-                                RawType val2) {
-  // Returns success if val1 is less than val2,
-  if (val1 < val2) {
-    return AssertionSuccess();
-  }
-
-  // or if val1 is almost equal to val2.
-  const FloatingPoint<RawType> lhs(val1), rhs(val2);
-  if (lhs.AlmostEquals(rhs)) {
-    return AssertionSuccess();
-  }
-
-  // Note that the above two checks will both fail if either val1 or
-  // val2 is NaN, as the IEEE floating-point standard requires that
-  // any predicate involving a NaN must return false.
-
-  ::std::stringstream val1_ss;
-  val1_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
-          << val1;
-
-  ::std::stringstream val2_ss;
-  val2_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
-          << val2;
-
-  return AssertionFailure()
-      << "Expected: (" << expr1 << ") <= (" << expr2 << ")\n"
-      << "  Actual: " << StringStreamToString(&val1_ss) << " vs "
-      << StringStreamToString(&val2_ss);
-}
-
-}  // namespace internal
-
-// Asserts that val1 is less than, or almost equal to, val2.  Fails
-// otherwise.  In particular, it fails if either val1 or val2 is NaN.
-AssertionResult FloatLE(const char* expr1, const char* expr2,
-                        float val1, float val2) {
-  return internal::FloatingPointLE<float>(expr1, expr2, val1, val2);
-}
-
-// Asserts that val1 is less than, or almost equal to, val2.  Fails
-// otherwise.  In particular, it fails if either val1 or val2 is NaN.
-AssertionResult DoubleLE(const char* expr1, const char* expr2,
-                         double val1, double val2) {
-  return internal::FloatingPointLE<double>(expr1, expr2, val1, val2);
-}
-
-namespace internal {
-
-// The helper function for {ASSERT|EXPECT}_EQ with int or enum
-// arguments.
-AssertionResult CmpHelperEQ(const char* expected_expression,
-                            const char* actual_expression,
-                            BiggestInt expected,
-                            BiggestInt actual) {
-  if (expected == actual) {
-    return AssertionSuccess();
-  }
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   FormatForComparisonFailureMessage(expected, actual),
-                   FormatForComparisonFailureMessage(actual, expected),
-                   false);
-}
-
-// A macro for implementing the helper functions needed to implement
-// ASSERT_?? and EXPECT_?? with integer or enum arguments.  It is here
-// just to avoid copy-and-paste of similar code.
-#define GTEST_IMPL_CMP_HELPER_(op_name, op)\
-AssertionResult CmpHelper##op_name(const char* expr1, const char* expr2, \
-                                   BiggestInt val1, BiggestInt val2) {\
-  if (val1 op val2) {\
-    return AssertionSuccess();\
-  } else {\
-    return AssertionFailure() \
-        << "Expected: (" << expr1 << ") " #op " (" << expr2\
-        << "), actual: " << FormatForComparisonFailureMessage(val1, val2)\
-        << " vs " << FormatForComparisonFailureMessage(val2, val1);\
-  }\
-}
-
-// Implements the helper function for {ASSERT|EXPECT}_NE with int or
-// enum arguments.
-GTEST_IMPL_CMP_HELPER_(NE, !=)
-// Implements the helper function for {ASSERT|EXPECT}_LE with int or
-// enum arguments.
-GTEST_IMPL_CMP_HELPER_(LE, <=)
-// Implements the helper function for {ASSERT|EXPECT}_LT with int or
-// enum arguments.
-GTEST_IMPL_CMP_HELPER_(LT, < )
-// Implements the helper function for {ASSERT|EXPECT}_GE with int or
-// enum arguments.
-GTEST_IMPL_CMP_HELPER_(GE, >=)
-// Implements the helper function for {ASSERT|EXPECT}_GT with int or
-// enum arguments.
-GTEST_IMPL_CMP_HELPER_(GT, > )
-
-#undef GTEST_IMPL_CMP_HELPER_
-
-// The helper function for {ASSERT|EXPECT}_STREQ.
-AssertionResult CmpHelperSTREQ(const char* expected_expression,
-                               const char* actual_expression,
-                               const char* expected,
-                               const char* actual) {
-  if (String::CStringEquals(expected, actual)) {
-    return AssertionSuccess();
-  }
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   PrintToString(expected),
-                   PrintToString(actual),
-                   false);
-}
-
-// The helper function for {ASSERT|EXPECT}_STRCASEEQ.
-AssertionResult CmpHelperSTRCASEEQ(const char* expected_expression,
-                                   const char* actual_expression,
-                                   const char* expected,
-                                   const char* actual) {
-  if (String::CaseInsensitiveCStringEquals(expected, actual)) {
-    return AssertionSuccess();
-  }
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   PrintToString(expected),
-                   PrintToString(actual),
-                   true);
-}
-
-// The helper function for {ASSERT|EXPECT}_STRNE.
-AssertionResult CmpHelperSTRNE(const char* s1_expression,
-                               const char* s2_expression,
-                               const char* s1,
-                               const char* s2) {
-  if (!String::CStringEquals(s1, s2)) {
-    return AssertionSuccess();
-  } else {
-    return AssertionFailure() << "Expected: (" << s1_expression << ") != ("
-                              << s2_expression << "), actual: \""
-                              << s1 << "\" vs \"" << s2 << "\"";
-  }
-}
-
-// The helper function for {ASSERT|EXPECT}_STRCASENE.
-AssertionResult CmpHelperSTRCASENE(const char* s1_expression,
-                                   const char* s2_expression,
-                                   const char* s1,
-                                   const char* s2) {
-  if (!String::CaseInsensitiveCStringEquals(s1, s2)) {
-    return AssertionSuccess();
-  } else {
-    return AssertionFailure()
-        << "Expected: (" << s1_expression << ") != ("
-        << s2_expression << ") (ignoring case), actual: \""
-        << s1 << "\" vs \"" << s2 << "\"";
-  }
-}
-
-}  // namespace internal
-
-namespace {
-
-// Helper functions for implementing IsSubString() and IsNotSubstring().
-
-// This group of overloaded functions return true iff needle is a
-// substring of haystack.  NULL is considered a substring of itself
-// only.
-
-bool IsSubstringPred(const char* needle, const char* haystack) {
-  if (needle == NULL || haystack == NULL)
-    return needle == haystack;
-
-  return strstr(haystack, needle) != NULL;
-}
-
-bool IsSubstringPred(const wchar_t* needle, const wchar_t* haystack) {
-  if (needle == NULL || haystack == NULL)
-    return needle == haystack;
-
-  return wcsstr(haystack, needle) != NULL;
-}
-
-// StringType here can be either ::std::string or ::std::wstring.
-template <typename StringType>
-bool IsSubstringPred(const StringType& needle,
-                     const StringType& haystack) {
-  return haystack.find(needle) != StringType::npos;
-}
-
-// This function implements either IsSubstring() or IsNotSubstring(),
-// depending on the value of the expected_to_be_substring parameter.
-// StringType here can be const char*, const wchar_t*, ::std::string,
-// or ::std::wstring.
-template <typename StringType>
-AssertionResult IsSubstringImpl(
-    bool expected_to_be_substring,
-    const char* needle_expr, const char* haystack_expr,
-    const StringType& needle, const StringType& haystack) {
-  if (IsSubstringPred(needle, haystack) == expected_to_be_substring)
-    return AssertionSuccess();
-
-  const bool is_wide_string = sizeof(needle[0]) > 1;
-  const char* const begin_string_quote = is_wide_string ? "L\"" : "\"";
-  return AssertionFailure()
-      << "Value of: " << needle_expr << "\n"
-      << "  Actual: " << begin_string_quote << needle << "\"\n"
-      << "Expected: " << (expected_to_be_substring ? "" : "not ")
-      << "a substring of " << haystack_expr << "\n"
-      << "Which is: " << begin_string_quote << haystack << "\"";
-}
-
-}  // namespace
-
-// IsSubstring() and IsNotSubstring() check whether needle is a
-// substring of haystack (NULL is considered a substring of itself
-// only), and return an appropriate error message when they fail.
-
-AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const char* needle, const char* haystack) {
-  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const wchar_t* needle, const wchar_t* haystack) {
-  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const char* needle, const char* haystack) {
-  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const wchar_t* needle, const wchar_t* haystack) {
-  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::string& needle, const ::std::string& haystack) {
-  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::string& needle, const ::std::string& haystack) {
-  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
-}
-
-#if GTEST_HAS_STD_WSTRING
-AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::wstring& needle, const ::std::wstring& haystack) {
-  return IsSubstringImpl(true, needle_expr, haystack_expr, needle, haystack);
-}
-
-AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::wstring& needle, const ::std::wstring& haystack) {
-  return IsSubstringImpl(false, needle_expr, haystack_expr, needle, haystack);
-}
-#endif  // GTEST_HAS_STD_WSTRING
-
-namespace internal {
-
-#if GTEST_OS_WINDOWS
-
-namespace {
-
-// Helper function for IsHRESULT{SuccessFailure} predicates
-AssertionResult HRESULTFailureHelper(const char* expr,
-                                     const char* expected,
-                                     long hr) {  // NOLINT
-# if GTEST_OS_WINDOWS_MOBILE
-
-  // Windows CE doesn't support FormatMessage.
-  const char error_text[] = "";
-
-# else
-
-  // Looks up the human-readable system message for the HRESULT code
-  // and since we're not passing any params to FormatMessage, we don't
-  // want inserts expanded.
-  const DWORD kFlags = FORMAT_MESSAGE_FROM_SYSTEM |
-                       FORMAT_MESSAGE_IGNORE_INSERTS;
-  const DWORD kBufSize = 4096;
-  // Gets the system's human readable message string for this HRESULT.
-  char error_text[kBufSize] = { '\0' };
-  DWORD message_length = ::FormatMessageA(kFlags,
-                                          0,  // no source, we're asking system
-                                          hr,  // the error
-                                          0,  // no line width restrictions
-                                          error_text,  // output buffer
-                                          kBufSize,  // buf size
-                                          NULL);  // no arguments for inserts
-  // Trims tailing white space (FormatMessage leaves a trailing CR-LF)
-  for (; message_length && IsSpace(error_text[message_length - 1]);
-          --message_length) {
-    error_text[message_length - 1] = '\0';
-  }
-
-# endif  // GTEST_OS_WINDOWS_MOBILE
-
-  const std::string error_hex("0x" + String::FormatHexInt(hr));
-  return ::testing::AssertionFailure()
-      << "Expected: " << expr << " " << expected << ".\n"
-      << "  Actual: " << error_hex << " " << error_text << "\n";
-}
-
-}  // namespace
-
-AssertionResult IsHRESULTSuccess(const char* expr, long hr) {  // NOLINT
-  if (SUCCEEDED(hr)) {
-    return AssertionSuccess();
-  }
-  return HRESULTFailureHelper(expr, "succeeds", hr);
-}
-
-AssertionResult IsHRESULTFailure(const char* expr, long hr) {  // NOLINT
-  if (FAILED(hr)) {
-    return AssertionSuccess();
-  }
-  return HRESULTFailureHelper(expr, "fails", hr);
-}
-
-#endif  // GTEST_OS_WINDOWS
-
-// Utility functions for encoding Unicode text (wide strings) in
-// UTF-8.
-
-// A Unicode code-point can have upto 21 bits, and is encoded in UTF-8
-// like this:
-//
-// Code-point length   Encoding
-//   0 -  7 bits       0xxxxxxx
-//   8 - 11 bits       110xxxxx 10xxxxxx
-//  12 - 16 bits       1110xxxx 10xxxxxx 10xxxxxx
-//  17 - 21 bits       11110xxx 10xxxxxx 10xxxxxx 10xxxxxx
-
-// The maximum code-point a one-byte UTF-8 sequence can represent.
-const UInt32 kMaxCodePoint1 = (static_cast<UInt32>(1) <<  7) - 1;
-
-// The maximum code-point a two-byte UTF-8 sequence can represent.
-const UInt32 kMaxCodePoint2 = (static_cast<UInt32>(1) << (5 + 6)) - 1;
-
-// The maximum code-point a three-byte UTF-8 sequence can represent.
-const UInt32 kMaxCodePoint3 = (static_cast<UInt32>(1) << (4 + 2*6)) - 1;
-
-// The maximum code-point a four-byte UTF-8 sequence can represent.
-const UInt32 kMaxCodePoint4 = (static_cast<UInt32>(1) << (3 + 3*6)) - 1;
-
-// Chops off the n lowest bits from a bit pattern.  Returns the n
-// lowest bits.  As a side effect, the original bit pattern will be
-// shifted to the right by n bits.
-inline UInt32 ChopLowBits(UInt32* bits, int n) {
-  const UInt32 low_bits = *bits & ((static_cast<UInt32>(1) << n) - 1);
-  *bits >>= n;
-  return low_bits;
-}
-
-// Converts a Unicode code point to a narrow string in UTF-8 encoding.
-// code_point parameter is of type UInt32 because wchar_t may not be
-// wide enough to contain a code point.
-// If the code_point is not a valid Unicode code point
-// (i.e. outside of Unicode range U+0 to U+10FFFF) it will be converted
-// to "(Invalid Unicode 0xXXXXXXXX)".
-std::string CodePointToUtf8(UInt32 code_point) {
-  if (code_point > kMaxCodePoint4) {
-    return "(Invalid Unicode 0x" + String::FormatHexInt(code_point) + ")";
-  }
-
-  char str[5];  // Big enough for the largest valid code point.
-  if (code_point <= kMaxCodePoint1) {
-    str[1] = '\0';
-    str[0] = static_cast<char>(code_point);                          // 0xxxxxxx
-  } else if (code_point <= kMaxCodePoint2) {
-    str[2] = '\0';
-    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[0] = static_cast<char>(0xC0 | code_point);                   // 110xxxxx
-  } else if (code_point <= kMaxCodePoint3) {
-    str[3] = '\0';
-    str[2] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[0] = static_cast<char>(0xE0 | code_point);                   // 1110xxxx
-  } else {  // code_point <= kMaxCodePoint4
-    str[4] = '\0';
-    str[3] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[2] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[1] = static_cast<char>(0x80 | ChopLowBits(&code_point, 6));  // 10xxxxxx
-    str[0] = static_cast<char>(0xF0 | code_point);                   // 11110xxx
-  }
-  return str;
-}
-
-// The following two functions only make sense if the the system
-// uses UTF-16 for wide string encoding. All supported systems
-// with 16 bit wchar_t (Windows, Cygwin, Symbian OS) do use UTF-16.
-
-// Determines if the arguments constitute UTF-16 surrogate pair
-// and thus should be combined into a single Unicode code point
-// using CreateCodePointFromUtf16SurrogatePair.
-inline bool IsUtf16SurrogatePair(wchar_t first, wchar_t second) {
-  return sizeof(wchar_t) == 2 &&
-      (first & 0xFC00) == 0xD800 && (second & 0xFC00) == 0xDC00;
-}
-
-// Creates a Unicode code point from UTF16 surrogate pair.
-inline UInt32 CreateCodePointFromUtf16SurrogatePair(wchar_t first,
-                                                    wchar_t second) {
-  const UInt32 mask = (1 << 10) - 1;
-  return (sizeof(wchar_t) == 2) ?
-      (((first & mask) << 10) | (second & mask)) + 0x10000 :
-      // This function should not be called when the condition is
-      // false, but we provide a sensible default in case it is.
-      static_cast<UInt32>(first);
-}
-
-// Converts a wide string to a narrow string in UTF-8 encoding.
-// The wide string is assumed to have the following encoding:
-//   UTF-16 if sizeof(wchar_t) == 2 (on Windows, Cygwin, Symbian OS)
-//   UTF-32 if sizeof(wchar_t) == 4 (on Linux)
-// Parameter str points to a null-terminated wide string.
-// Parameter num_chars may additionally limit the number
-// of wchar_t characters processed. -1 is used when the entire string
-// should be processed.
-// If the string contains code points that are not valid Unicode code points
-// (i.e. outside of Unicode range U+0 to U+10FFFF) they will be output
-// as '(Invalid Unicode 0xXXXXXXXX)'. If the string is in UTF16 encoding
-// and contains invalid UTF-16 surrogate pairs, values in those pairs
-// will be encoded as individual Unicode characters from Basic Normal Plane.
-std::string WideStringToUtf8(const wchar_t* str, int num_chars) {
-  if (num_chars == -1)
-    num_chars = static_cast<int>(wcslen(str));
-
-  ::std::stringstream stream;
-  for (int i = 0; i < num_chars; ++i) {
-    UInt32 unicode_code_point;
-
-    if (str[i] == L'\0') {
-      break;
-    } else if (i + 1 < num_chars && IsUtf16SurrogatePair(str[i], str[i + 1])) {
-      unicode_code_point = CreateCodePointFromUtf16SurrogatePair(str[i],
-                                                                 str[i + 1]);
-      i++;
-    } else {
-      unicode_code_point = static_cast<UInt32>(str[i]);
-    }
-
-    stream << CodePointToUtf8(unicode_code_point);
-  }
-  return StringStreamToString(&stream);
-}
-
-// Converts a wide C string to an std::string using the UTF-8 encoding.
-// NULL will be converted to "(null)".
-std::string String::ShowWideCString(const wchar_t * wide_c_str) {
-  if (wide_c_str == NULL)  return "(null)";
-
-  return internal::WideStringToUtf8(wide_c_str, -1);
-}
-
-// Compares two wide C strings.  Returns true iff they have the same
-// content.
-//
-// Unlike wcscmp(), this function can handle NULL argument(s).  A NULL
-// C string is considered different to any non-NULL C string,
-// including the empty string.
-bool String::WideCStringEquals(const wchar_t * lhs, const wchar_t * rhs) {
-  if (lhs == NULL) return rhs == NULL;
-
-  if (rhs == NULL) return false;
-
-  return wcscmp(lhs, rhs) == 0;
-}
-
-// Helper function for *_STREQ on wide strings.
-AssertionResult CmpHelperSTREQ(const char* expected_expression,
-                               const char* actual_expression,
-                               const wchar_t* expected,
-                               const wchar_t* actual) {
-  if (String::WideCStringEquals(expected, actual)) {
-    return AssertionSuccess();
-  }
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   PrintToString(expected),
-                   PrintToString(actual),
-                   false);
-}
-
-// Helper function for *_STRNE on wide strings.
-AssertionResult CmpHelperSTRNE(const char* s1_expression,
-                               const char* s2_expression,
-                               const wchar_t* s1,
-                               const wchar_t* s2) {
-  if (!String::WideCStringEquals(s1, s2)) {
-    return AssertionSuccess();
-  }
-
-  return AssertionFailure() << "Expected: (" << s1_expression << ") != ("
-                            << s2_expression << "), actual: "
-                            << PrintToString(s1)
-                            << " vs " << PrintToString(s2);
-}
-
-// Compares two C strings, ignoring case.  Returns true iff they have
-// the same content.
-//
-// Unlike strcasecmp(), this function can handle NULL argument(s).  A
-// NULL C string is considered different to any non-NULL C string,
-// including the empty string.
-bool String::CaseInsensitiveCStringEquals(const char * lhs, const char * rhs) {
-  if (lhs == NULL)
-    return rhs == NULL;
-  if (rhs == NULL)
-    return false;
-  return posix::StrCaseCmp(lhs, rhs) == 0;
-}
-
-  // Compares two wide C strings, ignoring case.  Returns true iff they
-  // have the same content.
-  //
-  // Unlike wcscasecmp(), this function can handle NULL argument(s).
-  // A NULL C string is considered different to any non-NULL wide C string,
-  // including the empty string.
-  // NB: The implementations on different platforms slightly differ.
-  // On windows, this method uses _wcsicmp which compares according to LC_CTYPE
-  // environment variable. On GNU platform this method uses wcscasecmp
-  // which compares according to LC_CTYPE category of the current locale.
-  // On MacOS X, it uses towlower, which also uses LC_CTYPE category of the
-  // current locale.
-bool String::CaseInsensitiveWideCStringEquals(const wchar_t* lhs,
-                                              const wchar_t* rhs) {
-  if (lhs == NULL) return rhs == NULL;
-
-  if (rhs == NULL) return false;
-
-#if GTEST_OS_WINDOWS
-  return _wcsicmp(lhs, rhs) == 0;
-#elif GTEST_OS_LINUX && !GTEST_OS_LINUX_ANDROID
-  return wcscasecmp(lhs, rhs) == 0;
-#else
-  // Android, Mac OS X and Cygwin don't define wcscasecmp.
-  // Other unknown OSes may not define it either.
-  wint_t left, right;
-  do {
-    left = towlower(*lhs++);
-    right = towlower(*rhs++);
-  } while (left && left == right);
-  return left == right;
-#endif  // OS selector
-}
-
-// Returns true iff str ends with the given suffix, ignoring case.
-// Any string is considered to end with an empty suffix.
-bool String::EndsWithCaseInsensitive(
-    const std::string& str, const std::string& suffix) {
-  const size_t str_len = str.length();
-  const size_t suffix_len = suffix.length();
-  return (str_len >= suffix_len) &&
-         CaseInsensitiveCStringEquals(str.c_str() + str_len - suffix_len,
-                                      suffix.c_str());
-}
-
-// Formats an int value as "%02d".
-std::string String::FormatIntWidth2(int value) {
-  std::stringstream ss;
-  ss << std::setfill('0') << std::setw(2) << value;
-  return ss.str();
-}
-
-// Formats an int value as "%X".
-std::string String::FormatHexInt(int value) {
-  std::stringstream ss;
-  ss << std::hex << std::uppercase << value;
-  return ss.str();
-}
-
-// Formats a byte as "%02X".
-std::string String::FormatByte(unsigned char value) {
-  std::stringstream ss;
-  ss << std::setfill('0') << std::setw(2) << std::hex << std::uppercase
-     << static_cast<unsigned int>(value);
-  return ss.str();
-}
-
-// Converts the buffer in a stringstream to an std::string, converting NUL
-// bytes to "\\0" along the way.
-std::string StringStreamToString(::std::stringstream* ss) {
-  const ::std::string& str = ss->str();
-  const char* const start = str.c_str();
-  const char* const end = start + str.length();
-
-  std::string result;
-  result.reserve(2 * (end - start));
-  for (const char* ch = start; ch != end; ++ch) {
-    if (*ch == '\0') {
-      result += "\\0";  // Replaces NUL with "\\0";
-    } else {
-      result += *ch;
-    }
-  }
-
-  return result;
-}
-
-// Appends the user-supplied message to the Google-Test-generated message.
-std::string AppendUserMessage(const std::string& gtest_msg,
-                              const Message& user_msg) {
-  // Appends the user message if it's non-empty.
-  const std::string user_msg_string = user_msg.GetString();
-  if (user_msg_string.empty()) {
-    return gtest_msg;
-  }
-
-  return gtest_msg + "\n" + user_msg_string;
-}
-
-}  // namespace internal
-
-// class TestResult
-
-// Creates an empty TestResult.
-TestResult::TestResult()
-    : death_test_count_(0),
-      elapsed_time_(0) {
-}
-
-// D'tor.
-TestResult::~TestResult() {
-}
-
-// Returns the i-th test part result among all the results. i can
-// range from 0 to total_part_count() - 1. If i is not in that range,
-// aborts the program.
-const TestPartResult& TestResult::GetTestPartResult(int i) const {
-  if (i < 0 || i >= total_part_count())
-    internal::posix::Abort();
-  return test_part_results_.at(i);
-}
-
-// Returns the i-th test property. i can range from 0 to
-// test_property_count() - 1. If i is not in that range, aborts the
-// program.
-const TestProperty& TestResult::GetTestProperty(int i) const {
-  if (i < 0 || i >= test_property_count())
-    internal::posix::Abort();
-  return test_properties_.at(i);
-}
-
-// Clears the test part results.
-void TestResult::ClearTestPartResults() {
-  test_part_results_.clear();
-}
-
-// Adds a test part result to the list.
-void TestResult::AddTestPartResult(const TestPartResult& test_part_result) {
-  test_part_results_.push_back(test_part_result);
-}
-
-// Adds a test property to the list. If a property with the same key as the
-// supplied property is already represented, the value of this test_property
-// replaces the old value for that key.
-void TestResult::RecordProperty(const std::string& xml_element,
-                                const TestProperty& test_property) {
-  if (!ValidateTestProperty(xml_element, test_property)) {
-    return;
-  }
-  internal::MutexLock lock(&test_properites_mutex_);
-  const std::vector<TestProperty>::iterator property_with_matching_key =
-      std::find_if(test_properties_.begin(), test_properties_.end(),
-                   internal::TestPropertyKeyIs(test_property.key()));
-  if (property_with_matching_key == test_properties_.end()) {
-    test_properties_.push_back(test_property);
-    return;
-  }
-  property_with_matching_key->SetValue(test_property.value());
-}
-
-// The list of reserved attributes used in the <testsuites> element of XML
-// output.
-static const char* const kReservedTestSuitesAttributes[] = {
-  "disabled",
-  "errors",
-  "failures",
-  "name",
-  "random_seed",
-  "tests",
-  "time",
-  "timestamp"
-};
-
-// The list of reserved attributes used in the <testsuite> element of XML
-// output.
-static const char* const kReservedTestSuiteAttributes[] = {
-  "disabled",
-  "errors",
-  "failures",
-  "name",
-  "tests",
-  "time"
-};
-
-// The list of reserved attributes used in the <testcase> element of XML output.
-static const char* const kReservedTestCaseAttributes[] = {
-  "classname",
-  "name",
-  "status",
-  "time",
-  "type_param",
-  "value_param"
-};
-
-template <int kSize>
-std::vector<std::string> ArrayAsVector(const char* const (&array)[kSize]) {
-  return std::vector<std::string>(array, array + kSize);
-}
-
-static std::vector<std::string> GetReservedAttributesForElement(
-    const std::string& xml_element) {
-  if (xml_element == "testsuites") {
-    return ArrayAsVector(kReservedTestSuitesAttributes);
-  } else if (xml_element == "testsuite") {
-    return ArrayAsVector(kReservedTestSuiteAttributes);
-  } else if (xml_element == "testcase") {
-    return ArrayAsVector(kReservedTestCaseAttributes);
-  } else {
-    GTEST_CHECK_(false) << "Unrecognized xml_element provided: " << xml_element;
-  }
-  // This code is unreachable but some compilers may not realizes that.
-  return std::vector<std::string>();
-}
-
-static std::string FormatWordList(const std::vector<std::string>& words) {
-  Message word_list;
-  for (size_t i = 0; i < words.size(); ++i) {
-    if (i > 0 && words.size() > 2) {
-      word_list << ", ";
-    }
-    if (i == words.size() - 1) {
-      word_list << "and ";
-    }
-    word_list << "'" << words[i] << "'";
-  }
-  return word_list.GetString();
-}
-
-bool ValidateTestPropertyName(const std::string& property_name,
-                              const std::vector<std::string>& reserved_names) {
-  if (std::find(reserved_names.begin(), reserved_names.end(), property_name) !=
-          reserved_names.end()) {
-    ADD_FAILURE() << "Reserved key used in RecordProperty(): " << property_name
-                  << " (" << FormatWordList(reserved_names)
-                  << " are reserved by " << GTEST_NAME_ << ")";
-    return false;
-  }
-  return true;
-}
-
-// Adds a failure if the key is a reserved attribute of the element named
-// xml_element.  Returns true if the property is valid.
-bool TestResult::ValidateTestProperty(const std::string& xml_element,
-                                      const TestProperty& test_property) {
-  return ValidateTestPropertyName(test_property.key(),
-                                  GetReservedAttributesForElement(xml_element));
-}
-
-// Clears the object.
-void TestResult::Clear() {
-  test_part_results_.clear();
-  test_properties_.clear();
-  death_test_count_ = 0;
-  elapsed_time_ = 0;
-}
-
-// Returns true iff the test failed.
-bool TestResult::Failed() const {
-  for (int i = 0; i < total_part_count(); ++i) {
-    if (GetTestPartResult(i).failed())
-      return true;
-  }
-  return false;
-}
-
-// Returns true iff the test part fatally failed.
-static bool TestPartFatallyFailed(const TestPartResult& result) {
-  return result.fatally_failed();
-}
-
-// Returns true iff the test fatally failed.
-bool TestResult::HasFatalFailure() const {
-  return CountIf(test_part_results_, TestPartFatallyFailed) > 0;
-}
-
-// Returns true iff the test part non-fatally failed.
-static bool TestPartNonfatallyFailed(const TestPartResult& result) {
-  return result.nonfatally_failed();
-}
-
-// Returns true iff the test has a non-fatal failure.
-bool TestResult::HasNonfatalFailure() const {
-  return CountIf(test_part_results_, TestPartNonfatallyFailed) > 0;
-}
-
-// Gets the number of all test parts.  This is the sum of the number
-// of successful test parts and the number of failed test parts.
-int TestResult::total_part_count() const {
-  return static_cast<int>(test_part_results_.size());
-}
-
-// Returns the number of the test properties.
-int TestResult::test_property_count() const {
-  return static_cast<int>(test_properties_.size());
-}
-
-// class Test
-
-// Creates a Test object.
-
-// The c'tor saves the values of all Google Test flags.
-Test::Test()
-    : gtest_flag_saver_(new internal::GTestFlagSaver) {
-}
-
-// The d'tor restores the values of all Google Test flags.
-Test::~Test() {
-  delete gtest_flag_saver_;
-}
-
-// Sets up the test fixture.
-//
-// A sub-class may override this.
-void Test::SetUp() {
-}
-
-// Tears down the test fixture.
-//
-// A sub-class may override this.
-void Test::TearDown() {
-}
-
-// Allows user supplied key value pairs to be recorded for later output.
-void Test::RecordProperty(const std::string& key, const std::string& value) {
-  UnitTest::GetInstance()->RecordProperty(key, value);
-}
-
-// Allows user supplied key value pairs to be recorded for later output.
-void Test::RecordProperty(const std::string& key, int value) {
-  Message value_message;
-  value_message << value;
-  RecordProperty(key, value_message.GetString().c_str());
-}
-
-namespace internal {
-
-void ReportFailureInUnknownLocation(TestPartResult::Type result_type,
-                                    const std::string& message) {
-  // This function is a friend of UnitTest and as such has access to
-  // AddTestPartResult.
-  UnitTest::GetInstance()->AddTestPartResult(
-      result_type,
-      NULL,  // No info about the source file where the exception occurred.
-      -1,    // We have no info on which line caused the exception.
-      message,
-      "");   // No stack trace, either.
-}
-
-}  // namespace internal
-
-// Google Test requires all tests in the same test case to use the same test
-// fixture class.  This function checks if the current test has the
-// same fixture class as the first test in the current test case.  If
-// yes, it returns true; otherwise it generates a Google Test failure and
-// returns false.
-bool Test::HasSameFixtureClass() {
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  const TestCase* const test_case = impl->current_test_case();
-
-  // Info about the first test in the current test case.
-  const TestInfo* const first_test_info = test_case->test_info_list()[0];
-  const internal::TypeId first_fixture_id = first_test_info->fixture_class_id_;
-  const char* const first_test_name = first_test_info->name();
-
-  // Info about the current test.
-  const TestInfo* const this_test_info = impl->current_test_info();
-  const internal::TypeId this_fixture_id = this_test_info->fixture_class_id_;
-  const char* const this_test_name = this_test_info->name();
-
-  if (this_fixture_id != first_fixture_id) {
-    // Is the first test defined using TEST?
-    const bool first_is_TEST = first_fixture_id == internal::GetTestTypeId();
-    // Is this test defined using TEST?
-    const bool this_is_TEST = this_fixture_id == internal::GetTestTypeId();
-
-    if (first_is_TEST || this_is_TEST) {
-      // The user mixed TEST and TEST_F in this test case - we'll tell
-      // him/her how to fix it.
-
-      // Gets the name of the TEST and the name of the TEST_F.  Note
-      // that first_is_TEST and this_is_TEST cannot both be true, as
-      // the fixture IDs are different for the two tests.
-      const char* const TEST_name =
-          first_is_TEST ? first_test_name : this_test_name;
-      const char* const TEST_F_name =
-          first_is_TEST ? this_test_name : first_test_name;
-
-      ADD_FAILURE()
-          << "All tests in the same test case must use the same test fixture\n"
-          << "class, so mixing TEST_F and TEST in the same test case is\n"
-          << "illegal.  In test case " << this_test_info->test_case_name()
-          << ",\n"
-          << "test " << TEST_F_name << " is defined using TEST_F but\n"
-          << "test " << TEST_name << " is defined using TEST.  You probably\n"
-          << "want to change the TEST to TEST_F or move it to another test\n"
-          << "case.";
-    } else {
-      // The user defined two fixture classes with the same name in
-      // two namespaces - we'll tell him/her how to fix it.
-      ADD_FAILURE()
-          << "All tests in the same test case must use the same test fixture\n"
-          << "class.  However, in test case "
-          << this_test_info->test_case_name() << ",\n"
-          << "you defined test " << first_test_name
-          << " and test " << this_test_name << "\n"
-          << "using two different test fixture classes.  This can happen if\n"
-          << "the two classes are from different namespaces or translation\n"
-          << "units and have the same name.  You should probably rename one\n"
-          << "of the classes to put the tests into different test cases.";
-    }
-    return false;
-  }
-
-  return true;
-}
-
-#if GTEST_HAS_SEH
-
-// Adds an "exception thrown" fatal failure to the current test.  This
-// function returns its result via an output parameter pointer because VC++
-// prohibits creation of objects with destructors on stack in functions
-// using __try (see error C2712).
-static std::string* FormatSehExceptionMessage(DWORD exception_code,
-                                              const char* location) {
-  Message message;
-  message << "SEH exception with code 0x" << std::setbase(16) <<
-    exception_code << std::setbase(10) << " thrown in " << location << ".";
-
-  return new std::string(message.GetString());
-}
-
-#endif  // GTEST_HAS_SEH
-
-namespace internal {
-
-#if GTEST_HAS_EXCEPTIONS
-
-// Adds an "exception thrown" fatal failure to the current test.
-static std::string FormatCxxExceptionMessage(const char* description,
-                                             const char* location) {
-  Message message;
-  if (description != NULL) {
-    message << "C++ exception with description \"" << description << "\"";
-  } else {
-    message << "Unknown C++ exception";
-  }
-  message << " thrown in " << location << ".";
-
-  return message.GetString();
-}
-
-static std::string PrintTestPartResultToString(
-    const TestPartResult& test_part_result);
-
-GoogleTestFailureException::GoogleTestFailureException(
-    const TestPartResult& failure)
-    : ::std::runtime_error(PrintTestPartResultToString(failure).c_str()) {}
-
-#endif  // GTEST_HAS_EXCEPTIONS
-
-// We put these helper functions in the internal namespace as IBM's xlC
-// compiler rejects the code if they were declared static.
-
-// Runs the given method and handles SEH exceptions it throws, when
-// SEH is supported; returns the 0-value for type Result in case of an
-// SEH exception.  (Microsoft compilers cannot handle SEH and C++
-// exceptions in the same function.  Therefore, we provide a separate
-// wrapper function for handling SEH exceptions.)
-template <class T, typename Result>
-Result HandleSehExceptionsInMethodIfSupported(
-    T* object, Result (T::*method)(), const char* location) {
-#if GTEST_HAS_SEH
-  __try {
-    return (object->*method)();
-  } __except (internal::UnitTestOptions::GTestShouldProcessSEH(  // NOLINT
-      GetExceptionCode())) {
-    // We create the exception message on the heap because VC++ prohibits
-    // creation of objects with destructors on stack in functions using __try
-    // (see error C2712).
-    std::string* exception_message = FormatSehExceptionMessage(
-        GetExceptionCode(), location);
-    internal::ReportFailureInUnknownLocation(TestPartResult::kFatalFailure,
-                                             *exception_message);
-    delete exception_message;
-    return static_cast<Result>(0);
-  }
-#else
-  (void)location;
-  return (object->*method)();
-#endif  // GTEST_HAS_SEH
-}
-
-// Runs the given method and catches and reports C++ and/or SEH-style
-// exceptions, if they are supported; returns the 0-value for type
-// Result in case of an SEH exception.
-template <class T, typename Result>
-Result HandleExceptionsInMethodIfSupported(
-    T* object, Result (T::*method)(), const char* location) {
-  // NOTE: The user code can affect the way in which Google Test handles
-  // exceptions by setting GTEST_FLAG(catch_exceptions), but only before
-  // RUN_ALL_TESTS() starts. It is technically possible to check the flag
-  // after the exception is caught and either report or re-throw the
-  // exception based on the flag's value:
-  //
-  // try {
-  //   // Perform the test method.
-  // } catch (...) {
-  //   if (GTEST_FLAG(catch_exceptions))
-  //     // Report the exception as failure.
-  //   else
-  //     throw;  // Re-throws the original exception.
-  // }
-  //
-  // However, the purpose of this flag is to allow the program to drop into
-  // the debugger when the exception is thrown. On most platforms, once the
-  // control enters the catch block, the exception origin information is
-  // lost and the debugger will stop the program at the point of the
-  // re-throw in this function -- instead of at the point of the original
-  // throw statement in the code under test.  For this reason, we perform
-  // the check early, sacrificing the ability to affect Google Test's
-  // exception handling in the method where the exception is thrown.
-  if (internal::GetUnitTestImpl()->catch_exceptions()) {
-#if GTEST_HAS_EXCEPTIONS
-    try {
-      return HandleSehExceptionsInMethodIfSupported(object, method, location);
-    } catch (const internal::GoogleTestFailureException&) {  // NOLINT
-      // This exception type can only be thrown by a failed Google
-      // Test assertion with the intention of letting another testing
-      // framework catch it.  Therefore we just re-throw it.
-      throw;
-    } catch (const std::exception& e) {  // NOLINT
-      internal::ReportFailureInUnknownLocation(
-          TestPartResult::kFatalFailure,
-          FormatCxxExceptionMessage(e.what(), location));
-    } catch (...) {  // NOLINT
-      internal::ReportFailureInUnknownLocation(
-          TestPartResult::kFatalFailure,
-          FormatCxxExceptionMessage(NULL, location));
-    }
-    return static_cast<Result>(0);
-#else
-    return HandleSehExceptionsInMethodIfSupported(object, method, location);
-#endif  // GTEST_HAS_EXCEPTIONS
-  } else {
-    return (object->*method)();
-  }
-}
-
-}  // namespace internal
-
-// Runs the test and updates the test result.
-void Test::Run() {
-  if (!HasSameFixtureClass()) return;
-
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-  internal::HandleExceptionsInMethodIfSupported(this, &Test::SetUp, "SetUp()");
-  // We will run the test only if SetUp() was successful.
-  if (!HasFatalFailure()) {
-    impl->os_stack_trace_getter()->UponLeavingGTest();
-    internal::HandleExceptionsInMethodIfSupported(
-        this, &Test::TestBody, "the test body");
-  }
-
-  // However, we want to clean up as much as possible.  Hence we will
-  // always call TearDown(), even if SetUp() or the test body has
-  // failed.
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-  internal::HandleExceptionsInMethodIfSupported(
-      this, &Test::TearDown, "TearDown()");
-}
-
-// Returns true iff the current test has a fatal failure.
-bool Test::HasFatalFailure() {
-  return internal::GetUnitTestImpl()->current_test_result()->HasFatalFailure();
-}
-
-// Returns true iff the current test has a non-fatal failure.
-bool Test::HasNonfatalFailure() {
-  return internal::GetUnitTestImpl()->current_test_result()->
-      HasNonfatalFailure();
-}
-
-// class TestInfo
-
-// Constructs a TestInfo object. It assumes ownership of the test factory
-// object.
-TestInfo::TestInfo(const std::string& a_test_case_name,
-                   const std::string& a_name,
-                   const char* a_type_param,
-                   const char* a_value_param,
-                   internal::TypeId fixture_class_id,
-                   internal::TestFactoryBase* factory)
-    : test_case_name_(a_test_case_name),
-      name_(a_name),
-      type_param_(a_type_param ? new std::string(a_type_param) : NULL),
-      value_param_(a_value_param ? new std::string(a_value_param) : NULL),
-      fixture_class_id_(fixture_class_id),
-      should_run_(false),
-      is_disabled_(false),
-      matches_filter_(false),
-      factory_(factory),
-      result_() {}
-
-// Destructs a TestInfo object.
-TestInfo::~TestInfo() { delete factory_; }
-
-namespace internal {
-
-// Creates a new TestInfo object and registers it with Google Test;
-// returns the created object.
-//
-// Arguments:
-//
-//   test_case_name:   name of the test case
-//   name:             name of the test
-//   type_param:       the name of the test's type parameter, or NULL if
-//                     this is not a typed or a type-parameterized test.
-//   value_param:      text representation of the test's value parameter,
-//                     or NULL if this is not a value-parameterized test.
-//   fixture_class_id: ID of the test fixture class
-//   set_up_tc:        pointer to the function that sets up the test case
-//   tear_down_tc:     pointer to the function that tears down the test case
-//   factory:          pointer to the factory that creates a test object.
-//                     The newly created TestInfo instance will assume
-//                     ownership of the factory object.
-TestInfo* MakeAndRegisterTestInfo(
-    const char* test_case_name,
-    const char* name,
-    const char* type_param,
-    const char* value_param,
-    TypeId fixture_class_id,
-    SetUpTestCaseFunc set_up_tc,
-    TearDownTestCaseFunc tear_down_tc,
-    TestFactoryBase* factory) {
-  TestInfo* const test_info =
-      new TestInfo(test_case_name, name, type_param, value_param,
-                   fixture_class_id, factory);
-  GetUnitTestImpl()->AddTestInfo(set_up_tc, tear_down_tc, test_info);
-  return test_info;
-}
-
-#if GTEST_HAS_PARAM_TEST
-void ReportInvalidTestCaseType(const char* test_case_name,
-                               const char* file, int line) {
-  Message errors;
-  errors
-      << "Attempted redefinition of test case " << test_case_name << ".\n"
-      << "All tests in the same test case must use the same test fixture\n"
-      << "class.  However, in test case " << test_case_name << ", you tried\n"
-      << "to define a test using a fixture class different from the one\n"
-      << "used earlier. This can happen if the two fixture classes are\n"
-      << "from different namespaces and have the same name. You should\n"
-      << "probably rename one of the classes to put the tests into different\n"
-      << "test cases.";
-
-  fprintf(stderr, "%s %s", FormatFileLocation(file, line).c_str(),
-          errors.GetString().c_str());
-}
-#endif  // GTEST_HAS_PARAM_TEST
-
-}  // namespace internal
-
-namespace {
-
-// A predicate that checks the test name of a TestInfo against a known
-// value.
-//
-// This is used for implementation of the TestCase class only.  We put
-// it in the anonymous namespace to prevent polluting the outer
-// namespace.
-//
-// TestNameIs is copyable.
-
-//Commenting out this class since its not used and wherefor produces warnings
-// class TestNameIs {
-// public:
-//  // Constructor.
-//  //
-//  // TestNameIs has NO default constructor.
-//  explicit TestNameIs(const char* name)
-//      : name_(name) {}
-//
-//  // Returns true iff the test name of test_info matches name_.
-//  bool operator()(const TestInfo * test_info) const {
-//    return test_info && test_info->name() == name_;
-//  }
-//
-// private:
-//  std::string name_;
-//};
-
-}  // namespace
-
-namespace internal {
-
-// This method expands all parameterized tests registered with macros TEST_P
-// and INSTANTIATE_TEST_CASE_P into regular tests and registers those.
-// This will be done just once during the program runtime.
-void UnitTestImpl::RegisterParameterizedTests() {
-#if GTEST_HAS_PARAM_TEST
-  if (!parameterized_tests_registered_) {
-    parameterized_test_registry_.RegisterTests();
-    parameterized_tests_registered_ = true;
-  }
-#endif
-}
-
-}  // namespace internal
-
-// Creates the test object, runs it, records its result, and then
-// deletes it.
-void TestInfo::Run() {
-  if (!should_run_) return;
-
-  // Tells UnitTest where to store test result.
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  impl->set_current_test_info(this);
-
-  TestEventListener* repeater = UnitTest::GetInstance()->listeners().repeater();
-
-  // Notifies the unit test event listeners that a test is about to start.
-  repeater->OnTestStart(*this);
-
-  const TimeInMillis start = internal::GetTimeInMillis();
-
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-
-  // Creates the test object.
-  Test* const test = internal::HandleExceptionsInMethodIfSupported(
-      factory_, &internal::TestFactoryBase::CreateTest,
-      "the test fixture's constructor");
-
-  // Runs the test only if the test object was created and its
-  // constructor didn't generate a fatal failure.
-  if ((test != NULL) && !Test::HasFatalFailure()) {
-    // This doesn't throw as all user code that can throw are wrapped into
-    // exception handling code.
-    test->Run();
-  }
-
-  // Deletes the test object.
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-  internal::HandleExceptionsInMethodIfSupported(
-      test, &Test::DeleteSelf_, "the test fixture's destructor");
-
-  result_.set_elapsed_time(internal::GetTimeInMillis() - start);
-
-  // Notifies the unit test event listener that a test has just finished.
-  repeater->OnTestEnd(*this);
-
-  // Tells UnitTest to stop associating assertion results to this
-  // test.
-  impl->set_current_test_info(NULL);
-}
-
-// class TestCase
-
-// Gets the number of successful tests in this test case.
-int TestCase::successful_test_count() const {
-  return CountIf(test_info_list_, TestPassed);
-}
-
-// Gets the number of failed tests in this test case.
-int TestCase::failed_test_count() const {
-  return CountIf(test_info_list_, TestFailed);
-}
-
-// Gets the number of disabled tests that will be reported in the XML report.
-int TestCase::reportable_disabled_test_count() const {
-  return CountIf(test_info_list_, TestReportableDisabled);
-}
-
-// Gets the number of disabled tests in this test case.
-int TestCase::disabled_test_count() const {
-  return CountIf(test_info_list_, TestDisabled);
-}
-
-// Gets the number of tests to be printed in the XML report.
-int TestCase::reportable_test_count() const {
-  return CountIf(test_info_list_, TestReportable);
-}
-
-// Get the number of tests in this test case that should run.
-int TestCase::test_to_run_count() const {
-  return CountIf(test_info_list_, ShouldRunTest);
-}
-
-// Gets the number of all tests.
-int TestCase::total_test_count() const {
-  return static_cast<int>(test_info_list_.size());
-}
-
-// Creates a TestCase with the given name.
-//
-// Arguments:
-//
-//   name:         name of the test case
-//   a_type_param: the name of the test case's type parameter, or NULL if
-//                 this is not a typed or a type-parameterized test case.
-//   set_up_tc:    pointer to the function that sets up the test case
-//   tear_down_tc: pointer to the function that tears down the test case
-TestCase::TestCase(const char* a_name, const char* a_type_param,
-                   Test::SetUpTestCaseFunc set_up_tc,
-                   Test::TearDownTestCaseFunc tear_down_tc)
-    : name_(a_name),
-      type_param_(a_type_param ? new std::string(a_type_param) : NULL),
-      set_up_tc_(set_up_tc),
-      tear_down_tc_(tear_down_tc),
-      should_run_(false),
-      elapsed_time_(0) {
-}
-
-// Destructor of TestCase.
-TestCase::~TestCase() {
-  // Deletes every Test in the collection.
-  ForEach(test_info_list_, internal::Delete<TestInfo>);
-}
-
-// Returns the i-th test among all the tests. i can range from 0 to
-// total_test_count() - 1. If i is not in that range, returns NULL.
-const TestInfo* TestCase::GetTestInfo(int i) const {
-  const int index = GetElementOr(test_indices_, i, -1);
-  return index < 0 ? NULL : test_info_list_[index];
-}
-
-// Returns the i-th test among all the tests. i can range from 0 to
-// total_test_count() - 1. If i is not in that range, returns NULL.
-TestInfo* TestCase::GetMutableTestInfo(int i) {
-  const int index = GetElementOr(test_indices_, i, -1);
-  return index < 0 ? NULL : test_info_list_[index];
-}
-
-// Adds a test to this test case.  Will delete the test upon
-// destruction of the TestCase object.
-void TestCase::AddTestInfo(TestInfo * test_info) {
-  test_info_list_.push_back(test_info);
-  test_indices_.push_back(static_cast<int>(test_indices_.size()));
-}
-
-// Runs every test in this TestCase.
-void TestCase::Run() {
-  if (!should_run_) return;
-
-  internal::UnitTestImpl* const impl = internal::GetUnitTestImpl();
-  impl->set_current_test_case(this);
-
-  TestEventListener* repeater = UnitTest::GetInstance()->listeners().repeater();
-
-  repeater->OnTestCaseStart(*this);
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-  internal::HandleExceptionsInMethodIfSupported(
-      this, &TestCase::RunSetUpTestCase, "SetUpTestCase()");
-
-  const internal::TimeInMillis start = internal::GetTimeInMillis();
-  for (int i = 0; i < total_test_count(); i++) {
-    GetMutableTestInfo(i)->Run();
-  }
-  elapsed_time_ = internal::GetTimeInMillis() - start;
-
-  impl->os_stack_trace_getter()->UponLeavingGTest();
-  internal::HandleExceptionsInMethodIfSupported(
-      this, &TestCase::RunTearDownTestCase, "TearDownTestCase()");
-
-  repeater->OnTestCaseEnd(*this);
-  impl->set_current_test_case(NULL);
-}
-
-// Clears the results of all tests in this test case.
-void TestCase::ClearResult() {
-  ad_hoc_test_result_.Clear();
-  ForEach(test_info_list_, TestInfo::ClearTestResult);
-}
-
-// Shuffles the tests in this test case.
-void TestCase::ShuffleTests(internal::Random* random) {
-  Shuffle(random, &test_indices_);
-}
-
-// Restores the test order to before the first shuffle.
-void TestCase::UnshuffleTests() {
-  for (size_t i = 0; i < test_indices_.size(); i++) {
-    test_indices_[i] = static_cast<int>(i);
-  }
-}
-
-// Formats a countable noun.  Depending on its quantity, either the
-// singular form or the plural form is used. e.g.
-//
-// FormatCountableNoun(1, "formula", "formuli") returns "1 formula".
-// FormatCountableNoun(5, "book", "books") returns "5 books".
-static std::string FormatCountableNoun(int count,
-                                       const char * singular_form,
-                                       const char * plural_form) {
-  return internal::StreamableToString(count) + " " +
-      (count == 1 ? singular_form : plural_form);
-}
-
-// Formats the count of tests.
-static std::string FormatTestCount(int test_count) {
-  return FormatCountableNoun(test_count, "test", "tests");
-}
-
-// Formats the count of test cases.
-static std::string FormatTestCaseCount(int test_case_count) {
-  return FormatCountableNoun(test_case_count, "test case", "test cases");
-}
-
-// Converts a TestPartResult::Type enum to human-friendly string
-// representation.  Both kNonFatalFailure and kFatalFailure are translated
-// to "Failure", as the user usually doesn't care about the difference
-// between the two when viewing the test result.
-static const char * TestPartResultTypeToString(TestPartResult::Type type) {
-  switch (type) {
-    case TestPartResult::kSuccess:
-      return "Success";
-
-    case TestPartResult::kNonFatalFailure:
-    case TestPartResult::kFatalFailure:
-#ifdef _MSC_VER
-      return "error: ";
-#else
-      return "Failure\n";
-#endif
-    default:
-      return "Unknown result type";
-  }
-}
-
-namespace internal {
-
-// Prints a TestPartResult to an std::string.
-static std::string PrintTestPartResultToString(
-    const TestPartResult& test_part_result) {
-  return (Message()
-          << internal::FormatFileLocation(test_part_result.file_name(),
-                                          test_part_result.line_number())
-          << " " << TestPartResultTypeToString(test_part_result.type())
-          << test_part_result.message()).GetString();
-}
-
-// Prints a TestPartResult.
-static void PrintTestPartResult(const TestPartResult& test_part_result) {
-  const std::string& result =
-      PrintTestPartResultToString(test_part_result);
-  printf("%s\n", result.c_str());
-  fflush(stdout);
-  // If the test program runs in Visual Studio or a debugger, the
-  // following statements add the test part result message to the Output
-  // window such that the user can double-click on it to jump to the
-  // corresponding source code location; otherwise they do nothing.
-#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
-  // We don't call OutputDebugString*() on Windows Mobile, as printing
-  // to stdout is done by OutputDebugString() there already - we don't
-  // want the same message printed twice.
-  ::OutputDebugStringA(result.c_str());
-  ::OutputDebugStringA("\n");
-#endif
-}
-
-// class PrettyUnitTestResultPrinter
-
-enum GTestColor {
-  COLOR_DEFAULT,
-  COLOR_RED,
-  COLOR_GREEN,
-  COLOR_YELLOW
-};
-
-#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
-
-// Returns the character attribute for the given color.
-WORD GetColorAttribute(GTestColor color) {
-  switch (color) {
-    case COLOR_RED:    return FOREGROUND_RED;
-    case COLOR_GREEN:  return FOREGROUND_GREEN;
-    case COLOR_YELLOW: return FOREGROUND_RED | FOREGROUND_GREEN;
-    default:           return 0;
-  }
-}
-
-#else
-
-// Returns the ANSI color code for the given color.  COLOR_DEFAULT is
-// an invalid input.
-const char* GetAnsiColorCode(GTestColor color) {
-  switch (color) {
-    case COLOR_RED:     return "1";
-    case COLOR_GREEN:   return "2";
-    case COLOR_YELLOW:  return "3";
-    default:            return NULL;
-  };
-}
-
-#endif  // GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
-
-// Returns true iff Google Test should use colors in the output.
-bool ShouldUseColor(bool stdout_is_tty) {
-  const char* const gtest_color = GTEST_FLAG(color).c_str();
-
-  if (String::CaseInsensitiveCStringEquals(gtest_color, "auto")) {
-#if GTEST_OS_WINDOWS
-    // On Windows the TERM variable is usually not set, but the
-    // console there does support colors.
-    return stdout_is_tty;
-#else
-    // On non-Windows platforms, we rely on the TERM variable.
-    const char* const term = posix::GetEnv("TERM");
-    const bool term_supports_color =
-        String::CStringEquals(term, "xterm") ||
-        String::CStringEquals(term, "xterm-color") ||
-        String::CStringEquals(term, "xterm-256color") ||
-        String::CStringEquals(term, "screen") ||
-        String::CStringEquals(term, "screen-256color") ||
-        String::CStringEquals(term, "linux") ||
-        String::CStringEquals(term, "cygwin");
-    return stdout_is_tty && term_supports_color;
-#endif  // GTEST_OS_WINDOWS
-  }
-
-  return String::CaseInsensitiveCStringEquals(gtest_color, "yes") ||
-      String::CaseInsensitiveCStringEquals(gtest_color, "true") ||
-      String::CaseInsensitiveCStringEquals(gtest_color, "t") ||
-      String::CStringEquals(gtest_color, "1");
-  // We take "yes", "true", "t", and "1" as meaning "yes".  If the
-  // value is neither one of these nor "auto", we treat it as "no" to
-  // be conservative.
-}
-
-// Helpers for printing colored strings to stdout. Note that on Windows, we
-// cannot simply emit special characters and have the terminal change colors.
-// This routine must actually emit the characters rather than return a string
-// that would be colored when printed, as can be done on Linux.
-void ColoredPrintf(GTestColor color, const char* fmt, ...) {
-  va_list args;
-  va_start(args, fmt);
-
-#if GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN || GTEST_OS_ZOS || GTEST_OS_IOS
-  const bool use_color = false;
-#else
-  static const bool in_color_mode =
-      ShouldUseColor(posix::IsATTY(posix::FileNo(stdout)) != 0);
-  const bool use_color = in_color_mode && (color != COLOR_DEFAULT);
-#endif  // GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN || GTEST_OS_ZOS
-  // The '!= 0' comparison is necessary to satisfy MSVC 7.1.
-
-  if (!use_color) {
-    vprintf(fmt, args);
-    va_end(args);
-    return;
-  }
-
-#if GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
-  const HANDLE stdout_handle = GetStdHandle(STD_OUTPUT_HANDLE);
-
-  // Gets the current text color.
-  CONSOLE_SCREEN_BUFFER_INFO buffer_info;
-  GetConsoleScreenBufferInfo(stdout_handle, &buffer_info);
-  const WORD old_color_attrs = buffer_info.wAttributes;
-
-  // We need to flush the stream buffers into the console before each
-  // SetConsoleTextAttribute call lest it affect the text that is already
-  // printed but has not yet reached the console.
-  fflush(stdout);
-  SetConsoleTextAttribute(stdout_handle,
-                          GetColorAttribute(color) | FOREGROUND_INTENSITY);
-  vprintf(fmt, args);
-
-  fflush(stdout);
-  // Restores the text color.
-  SetConsoleTextAttribute(stdout_handle, old_color_attrs);
-#else
-  printf("\033[0;3%sm", GetAnsiColorCode(color));
-  vprintf(fmt, args);
-  printf("\033[m");  // Resets the terminal to default.
-#endif  // GTEST_OS_WINDOWS && !GTEST_OS_WINDOWS_MOBILE
-  va_end(args);
-}
-
-// Text printed in Google Test's text output and --gunit_list_tests
-// output to label the type parameter and value parameter for a test.
-static const char kTypeParamLabel[] = "TypeParam";
-static const char kValueParamLabel[] = "GetParam()";
-
-void PrintFullTestCommentIfPresent(const TestInfo& test_info) {
-  const char* const type_param = test_info.type_param();
-  const char* const value_param = test_info.value_param();
-
-  if (type_param != NULL || value_param != NULL) {
-    printf(", where ");
-    if (type_param != NULL) {
-      printf("%s = %s", kTypeParamLabel, type_param);
-      if (value_param != NULL)
-        printf(" and ");
-    }
-    if (value_param != NULL) {
-      printf("%s = %s", kValueParamLabel, value_param);
-    }
-  }
-}
-
-// This class implements the TestEventListener interface.
-//
-// Class PrettyUnitTestResultPrinter is copyable.
-class PrettyUnitTestResultPrinter : public TestEventListener {
- public:
-  PrettyUnitTestResultPrinter() {}
-  static void PrintTestName(const char * test_case, const char * test) {
-    printf("%s.%s", test_case, test);
-  }
-
-  // The following methods override what's in the TestEventListener class.
-  virtual void OnTestProgramStart(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestIterationStart(const UnitTest& unit_test, int iteration);
-  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test);
-  virtual void OnEnvironmentsSetUpEnd(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestCaseStart(const TestCase& test_case);
-  virtual void OnTestStart(const TestInfo& test_info);
-  virtual void OnTestPartResult(const TestPartResult& result);
-  virtual void OnTestEnd(const TestInfo& test_info);
-  virtual void OnTestCaseEnd(const TestCase& test_case);
-  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test);
-  virtual void OnEnvironmentsTearDownEnd(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
-  virtual void OnTestProgramEnd(const UnitTest& /*unit_test*/) {}
-
- private:
-  static void PrintFailedTests(const UnitTest& unit_test);
-};
-
-  // Fired before each iteration of tests starts.
-void PrettyUnitTestResultPrinter::OnTestIterationStart(
-    const UnitTest& unit_test, int iteration) {
-  if (GTEST_FLAG(repeat) != 1)
-    printf("\nRepeating all tests (iteration %d) . . .\n\n", iteration + 1);
-
-  const char* const filter = GTEST_FLAG(filter).c_str();
-
-  // Prints the filter if it's not *.  This reminds the user that some
-  // tests may be skipped.
-  if (!String::CStringEquals(filter, kUniversalFilter)) {
-    ColoredPrintf(COLOR_YELLOW,
-                  "Note: %s filter = %s\n", GTEST_NAME_, filter);
-  }
-
-  if (internal::ShouldShard(kTestTotalShards, kTestShardIndex, false)) {
-    const Int32 shard_index = Int32FromEnvOrDie(kTestShardIndex, -1);
-    ColoredPrintf(COLOR_YELLOW,
-                  "Note: This is test shard %d of %s.\n",
-                  static_cast<int>(shard_index) + 1,
-                  internal::posix::GetEnv(kTestTotalShards));
-  }
-
-  if (GTEST_FLAG(shuffle)) {
-    ColoredPrintf(COLOR_YELLOW,
-                  "Note: Randomizing tests' orders with a seed of %d .\n",
-                  unit_test.random_seed());
-  }
-
-  ColoredPrintf(COLOR_GREEN,  "[==========] ");
-  printf("Running %s from %s.\n",
-         FormatTestCount(unit_test.test_to_run_count()).c_str(),
-         FormatTestCaseCount(unit_test.test_case_to_run_count()).c_str());
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnEnvironmentsSetUpStart(
-    const UnitTest& /*unit_test*/) {
-  ColoredPrintf(COLOR_GREEN,  "[----------] ");
-  printf("Global test environment set-up.\n");
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnTestCaseStart(const TestCase& test_case) {
-  const std::string counts =
-      FormatCountableNoun(test_case.test_to_run_count(), "test", "tests");
-  ColoredPrintf(COLOR_GREEN, "[----------] ");
-  printf("%s from %s", counts.c_str(), test_case.name());
-  if (test_case.type_param() == NULL) {
-    printf("\n");
-  } else {
-    printf(", where %s = %s\n", kTypeParamLabel, test_case.type_param());
-  }
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnTestStart(const TestInfo& test_info) {
-  ColoredPrintf(COLOR_GREEN,  "[ RUN      ] ");
-  PrintTestName(test_info.test_case_name(), test_info.name());
-  printf("\n");
-  fflush(stdout);
-}
-
-// Called after an assertion failure.
-void PrettyUnitTestResultPrinter::OnTestPartResult(
-    const TestPartResult& result) {
-  // If the test part succeeded, we don't need to do anything.
-  if (result.type() == TestPartResult::kSuccess)
-    return;
-
-  // Print failure message from the assertion (e.g. expected this and got that).
-  PrintTestPartResult(result);
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnTestEnd(const TestInfo& test_info) {
-  if (test_info.result()->Passed()) {
-    ColoredPrintf(COLOR_GREEN, "[       OK ] ");
-  } else {
-    ColoredPrintf(COLOR_RED, "[  FAILED  ] ");
-  }
-  PrintTestName(test_info.test_case_name(), test_info.name());
-  if (test_info.result()->Failed())
-    PrintFullTestCommentIfPresent(test_info);
-
-  if (GTEST_FLAG(print_time)) {
-    printf(" (%s ms)\n", internal::StreamableToString(
-           test_info.result()->elapsed_time()).c_str());
-  } else {
-    printf("\n");
-  }
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnTestCaseEnd(const TestCase& test_case) {
-  if (!GTEST_FLAG(print_time)) return;
-
-  const std::string counts =
-      FormatCountableNoun(test_case.test_to_run_count(), "test", "tests");
-  ColoredPrintf(COLOR_GREEN, "[----------] ");
-  printf("%s from %s (%s ms total)\n\n",
-         counts.c_str(), test_case.name(),
-         internal::StreamableToString(test_case.elapsed_time()).c_str());
-  fflush(stdout);
-}
-
-void PrettyUnitTestResultPrinter::OnEnvironmentsTearDownStart(
-    const UnitTest& /*unit_test*/) {
-  ColoredPrintf(COLOR_GREEN,  "[----------] ");
-  printf("Global test environment tear-down\n");
-  fflush(stdout);
-}
-
-// Internal helper for printing the list of failed tests.
-void PrettyUnitTestResultPrinter::PrintFailedTests(const UnitTest& unit_test) {
-  const int failed_test_count = unit_test.failed_test_count();
-  if (failed_test_count == 0) {
-    return;
-  }
-
-  for (int i = 0; i < unit_test.total_test_case_count(); ++i) {
-    const TestCase& test_case = *unit_test.GetTestCase(i);
-    if (!test_case.should_run() || (test_case.failed_test_count() == 0)) {
-      continue;
-    }
-    for (int j = 0; j < test_case.total_test_count(); ++j) {
-      const TestInfo& test_info = *test_case.GetTestInfo(j);
-      if (!test_info.should_run() || test_info.result()->Passed()) {
-        continue;
-      }
-      ColoredPrintf(COLOR_RED, "[  FAILED  ] ");
-      printf("%s.%s", test_case.name(), test_info.name());
-      PrintFullTestCommentIfPresent(test_info);
-      printf("\n");
-    }
-  }
-}
-
-void PrettyUnitTestResultPrinter::OnTestIterationEnd(const UnitTest& unit_test,
-                                                     int /*iteration*/) {
-  ColoredPrintf(COLOR_GREEN,  "[==========] ");
-  printf("%s from %s ran.",
-         FormatTestCount(unit_test.test_to_run_count()).c_str(),
-         FormatTestCaseCount(unit_test.test_case_to_run_count()).c_str());
-  if (GTEST_FLAG(print_time)) {
-    printf(" (%s ms total)",
-           internal::StreamableToString(unit_test.elapsed_time()).c_str());
-  }
-  printf("\n");
-  ColoredPrintf(COLOR_GREEN,  "[  PASSED  ] ");
-  printf("%s.\n", FormatTestCount(unit_test.successful_test_count()).c_str());
-
-  int num_failures = unit_test.failed_test_count();
-  if (!unit_test.Passed()) {
-    const int failed_test_count = unit_test.failed_test_count();
-    ColoredPrintf(COLOR_RED,  "[  FAILED  ] ");
-    printf("%s, listed below:\n", FormatTestCount(failed_test_count).c_str());
-    PrintFailedTests(unit_test);
-    printf("\n%2d FAILED %s\n", num_failures,
-                        num_failures == 1 ? "TEST" : "TESTS");
-  }
-
-  int num_disabled = unit_test.reportable_disabled_test_count();
-  if (num_disabled && !GTEST_FLAG(also_run_disabled_tests)) {
-    if (!num_failures) {
-      printf("\n");  // Add a spacer if no FAILURE banner is displayed.
-    }
-    ColoredPrintf(COLOR_YELLOW,
-                  "  YOU HAVE %d DISABLED %s\n\n",
-                  num_disabled,
-                  num_disabled == 1 ? "TEST" : "TESTS");
-  }
-  // Ensure that Google Test output is printed before, e.g., heapchecker output.
-  fflush(stdout);
-}
-
-// End PrettyUnitTestResultPrinter
-
-// class TestEventRepeater
-//
-// This class forwards events to other event listeners.
-class TestEventRepeater : public TestEventListener {
- public:
-  TestEventRepeater() : forwarding_enabled_(true) {}
-  virtual ~TestEventRepeater();
-  void Append(TestEventListener *listener);
-  TestEventListener* Release(TestEventListener* listener);
-
-  // Controls whether events will be forwarded to listeners_. Set to false
-  // in death test child processes.
-  bool forwarding_enabled() const { return forwarding_enabled_; }
-  void set_forwarding_enabled(bool enable) { forwarding_enabled_ = enable; }
-
-  virtual void OnTestProgramStart(const UnitTest& unit_test);
-  virtual void OnTestIterationStart(const UnitTest& unit_test, int iteration);
-  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test);
-  virtual void OnEnvironmentsSetUpEnd(const UnitTest& unit_test);
-  virtual void OnTestCaseStart(const TestCase& test_case);
-  virtual void OnTestStart(const TestInfo& test_info);
-  virtual void OnTestPartResult(const TestPartResult& result);
-  virtual void OnTestEnd(const TestInfo& test_info);
-  virtual void OnTestCaseEnd(const TestCase& test_case);
-  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test);
-  virtual void OnEnvironmentsTearDownEnd(const UnitTest& unit_test);
-  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
-  virtual void OnTestProgramEnd(const UnitTest& unit_test);
-
- private:
-  // Controls whether events will be forwarded to listeners_. Set to false
-  // in death test child processes.
-  bool forwarding_enabled_;
-  // The list of listeners that receive events.
-  std::vector<TestEventListener*> listeners_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestEventRepeater);
-};
-
-TestEventRepeater::~TestEventRepeater() {
-  ForEach(listeners_, Delete<TestEventListener>);
-}
-
-void TestEventRepeater::Append(TestEventListener *listener) {
-  listeners_.push_back(listener);
-}
-
-// TODO(vladl@google.com): Factor the search functionality into Vector::Find.
-TestEventListener* TestEventRepeater::Release(TestEventListener *listener) {
-  for (size_t i = 0; i < listeners_.size(); ++i) {
-    if (listeners_[i] == listener) {
-      listeners_.erase(listeners_.begin() + i);
-      return listener;
-    }
-  }
-
-  return NULL;
-}
-
-// Since most methods are very similar, use macros to reduce boilerplate.
-// This defines a member that forwards the call to all listeners.
-#define GTEST_REPEATER_METHOD_(Name, Type) \
-void TestEventRepeater::Name(const Type& parameter) { \
-  if (forwarding_enabled_) { \
-    for (size_t i = 0; i < listeners_.size(); i++) { \
-      listeners_[i]->Name(parameter); \
-    } \
-  } \
-}
-// This defines a member that forwards the call to all listeners in reverse
-// order.
-#define GTEST_REVERSE_REPEATER_METHOD_(Name, Type) \
-void TestEventRepeater::Name(const Type& parameter) { \
-  if (forwarding_enabled_) { \
-    for (int i = static_cast<int>(listeners_.size()) - 1; i >= 0; i--) { \
-      listeners_[i]->Name(parameter); \
-    } \
-  } \
-}
-
-GTEST_REPEATER_METHOD_(OnTestProgramStart, UnitTest)
-GTEST_REPEATER_METHOD_(OnEnvironmentsSetUpStart, UnitTest)
-GTEST_REPEATER_METHOD_(OnTestCaseStart, TestCase)
-GTEST_REPEATER_METHOD_(OnTestStart, TestInfo)
-GTEST_REPEATER_METHOD_(OnTestPartResult, TestPartResult)
-GTEST_REPEATER_METHOD_(OnEnvironmentsTearDownStart, UnitTest)
-GTEST_REVERSE_REPEATER_METHOD_(OnEnvironmentsSetUpEnd, UnitTest)
-GTEST_REVERSE_REPEATER_METHOD_(OnEnvironmentsTearDownEnd, UnitTest)
-GTEST_REVERSE_REPEATER_METHOD_(OnTestEnd, TestInfo)
-GTEST_REVERSE_REPEATER_METHOD_(OnTestCaseEnd, TestCase)
-GTEST_REVERSE_REPEATER_METHOD_(OnTestProgramEnd, UnitTest)
-
-#undef GTEST_REPEATER_METHOD_
-#undef GTEST_REVERSE_REPEATER_METHOD_
-
-void TestEventRepeater::OnTestIterationStart(const UnitTest& unit_test,
-                                             int iteration) {
-  if (forwarding_enabled_) {
-    for (size_t i = 0; i < listeners_.size(); i++) {
-      listeners_[i]->OnTestIterationStart(unit_test, iteration);
-    }
-  }
-}
-
-void TestEventRepeater::OnTestIterationEnd(const UnitTest& unit_test,
-                                           int iteration) {
-  if (forwarding_enabled_) {
-    for (int i = static_cast<int>(listeners_.size()) - 1; i >= 0; i--) {
-      listeners_[i]->OnTestIterationEnd(unit_test, iteration);
-    }
-  }
-}
-
-// End TestEventRepeater
-
-// This class generates an XML output file.
-class XmlUnitTestResultPrinter : public EmptyTestEventListener {
- public:
-  explicit XmlUnitTestResultPrinter(const char* output_file);
-
-  virtual void OnTestIterationEnd(const UnitTest& unit_test, int iteration);
-
- private:
-  // Is c a whitespace character that is normalized to a space character
-  // when it appears in an XML attribute value?
-  static bool IsNormalizableWhitespace(char c) {
-    return c == 0x9 || c == 0xA || c == 0xD;
-  }
-
-  // May c appear in a well-formed XML document?
-  static bool IsValidXmlCharacter(char c) {
-    return IsNormalizableWhitespace(c) || c >= 0x20;
-  }
-
-  // Returns an XML-escaped copy of the input string str.  If
-  // is_attribute is true, the text is meant to appear as an attribute
-  // value, and normalizable whitespace is preserved by replacing it
-  // with character references.
-  static std::string EscapeXml(const std::string& str, bool is_attribute);
-
-  // Returns the given string with all characters invalid in XML removed.
-  static std::string RemoveInvalidXmlCharacters(const std::string& str);
-
-  // Convenience wrapper around EscapeXml when str is an attribute value.
-  static std::string EscapeXmlAttribute(const std::string& str) {
-    return EscapeXml(str, true);
-  }
-
-  // Convenience wrapper around EscapeXml when str is not an attribute value.
-  static std::string EscapeXmlText(const char* str) {
-    return EscapeXml(str, false);
-  }
-
-  // Verifies that the given attribute belongs to the given element and
-  // streams the attribute as XML.
-  static void OutputXmlAttribute(std::ostream* stream,
-                                 const std::string& element_name,
-                                 const std::string& name,
-                                 const std::string& value);
-
-  // Streams an XML CDATA section, escaping invalid CDATA sequences as needed.
-  static void OutputXmlCDataSection(::std::ostream* stream, const char* data);
-
-  // Streams an XML representation of a TestInfo object.
-  static void OutputXmlTestInfo(::std::ostream* stream,
-                                const char* test_case_name,
-                                const TestInfo& test_info);
-
-  // Prints an XML representation of a TestCase object
-  static void PrintXmlTestCase(::std::ostream* stream,
-                               const TestCase& test_case);
-
-  // Prints an XML summary of unit_test to output stream out.
-  static void PrintXmlUnitTest(::std::ostream* stream,
-                               const UnitTest& unit_test);
-
-  // Produces a string representing the test properties in a result as space
-  // delimited XML attributes based on the property key="value" pairs.
-  // When the std::string is not empty, it includes a space at the beginning,
-  // to delimit this attribute from prior attributes.
-  static std::string TestPropertiesAsXmlAttributes(const TestResult& result);
-
-  // The output file.
-  const std::string output_file_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(XmlUnitTestResultPrinter);
-};
-
-// Creates a new XmlUnitTestResultPrinter.
-XmlUnitTestResultPrinter::XmlUnitTestResultPrinter(const char* output_file)
-    : output_file_(output_file) {
-  if (output_file_.c_str() == NULL || output_file_.empty()) {
-    fprintf(stderr, "XML output file may not be null\n");
-    fflush(stderr);
-    exit(EXIT_FAILURE);
-  }
-}
-
-// Called after the unit test ends.
-void XmlUnitTestResultPrinter::OnTestIterationEnd(const UnitTest& unit_test,
-                                                  int /*iteration*/) {
-  FILE* xmlout = NULL;
-  FilePath output_file(output_file_);
-  FilePath output_dir(output_file.RemoveFileName());
-
-  if (output_dir.CreateDirectoriesRecursively()) {
-    xmlout = posix::FOpen(output_file_.c_str(), "w");
-  }
-  if (xmlout == NULL) {
-    // TODO(wan): report the reason of the failure.
-    //
-    // We don't do it for now as:
-    //
-    //   1. There is no urgent need for it.
-    //   2. It's a bit involved to make the errno variable thread-safe on
-    //      all three operating systems (Linux, Windows, and Mac OS).
-    //   3. To interpret the meaning of errno in a thread-safe way,
-    //      we need the strerror_r() function, which is not available on
-    //      Windows.
-    fprintf(stderr,
-            "Unable to open file \"%s\"\n",
-            output_file_.c_str());
-    fflush(stderr);
-    exit(EXIT_FAILURE);
-  }
-  std::stringstream stream;
-  PrintXmlUnitTest(&stream, unit_test);
-  fprintf(xmlout, "%s", StringStreamToString(&stream).c_str());
-  fclose(xmlout);
-}
-
-// Returns an XML-escaped copy of the input string str.  If is_attribute
-// is true, the text is meant to appear as an attribute value, and
-// normalizable whitespace is preserved by replacing it with character
-// references.
-//
-// Invalid XML characters in str, if any, are stripped from the output.
-// It is expected that most, if not all, of the text processed by this
-// module will consist of ordinary English text.
-// If this module is ever modified to produce version 1.1 XML output,
-// most invalid characters can be retained using character references.
-// TODO(wan): It might be nice to have a minimally invasive, human-readable
-// escaping scheme for invalid characters, rather than dropping them.
-std::string XmlUnitTestResultPrinter::EscapeXml(
-    const std::string& str, bool is_attribute) {
-  Message m;
-
-  for (size_t i = 0; i < str.size(); ++i) {
-    const char ch = str[i];
-    switch (ch) {
-      case '<':
-        m << "&lt;";
-        break;
-      case '>':
-        m << "&gt;";
-        break;
-      case '&':
-        m << "&amp;";
-        break;
-      case '\'':
-        if (is_attribute)
-          m << "&apos;";
-        else
-          m << '\'';
-        break;
-      case '"':
-        if (is_attribute)
-          m << "&quot;";
-        else
-          m << '"';
-        break;
-      default:
-        if (IsValidXmlCharacter(ch)) {
-          if (is_attribute && IsNormalizableWhitespace(ch))
-            m << "&#x" << String::FormatByte(static_cast<unsigned char>(ch))
-              << ";";
-          else
-            m << ch;
-        }
-        break;
-    }
-  }
-
-  return m.GetString();
-}
-
-// Returns the given string with all characters invalid in XML removed.
-// Currently invalid characters are dropped from the string. An
-// alternative is to replace them with certain characters such as . or ?.
-std::string XmlUnitTestResultPrinter::RemoveInvalidXmlCharacters(
-    const std::string& str) {
-  std::string output;
-  output.reserve(str.size());
-  for (std::string::const_iterator it = str.begin(); it != str.end(); ++it)
-    if (IsValidXmlCharacter(*it))
-      output.push_back(*it);
-
-  return output;
-}
-
-// The following routines generate an XML representation of a UnitTest
-// object.
-//
-// This is how Google Test concepts map to the DTD:
-//
-// <testsuites name="AllTests">        <-- corresponds to a UnitTest object
-//   <testsuite name="testcase-name">  <-- corresponds to a TestCase object
-//     <testcase name="test-name">     <-- corresponds to a TestInfo object
-//       <failure message="...">...</failure>
-//       <failure message="...">...</failure>
-//       <failure message="...">...</failure>
-//                                     <-- individual assertion failures
-//     </testcase>
-//   </testsuite>
-// </testsuites>
-
-// Formats the given time in milliseconds as seconds.
-std::string FormatTimeInMillisAsSeconds(TimeInMillis ms) {
-  ::std::stringstream ss;
-  ss << ms/1000.0;
-  return ss.str();
-}
-
-// Converts the given epoch time in milliseconds to a date string in the ISO
-// 8601 format, without the timezone information.
-std::string FormatEpochTimeInMillisAsIso8601(TimeInMillis ms) {
-  // Using non-reentrant version as localtime_r is not portable.
-  time_t seconds = static_cast<time_t>(ms / 1000);
-#ifdef _MSC_VER
-# pragma warning(push)          // Saves the current warning state.
-# pragma warning(disable:4996)  // Temporarily disables warning 4996
-                                // (function or variable may be unsafe).
-  const struct tm* const time_struct = localtime(&seconds);  // NOLINT
-# pragma warning(pop)           // Restores the warning state again.
-#else
-  const struct tm* const time_struct = localtime(&seconds);  // NOLINT
-#endif
-  if (time_struct == NULL)
-    return "";  // Invalid ms value
-
-  // YYYY-MM-DDThh:mm:ss
-  return StreamableToString(time_struct->tm_year + 1900) + "-" +
-      String::FormatIntWidth2(time_struct->tm_mon + 1) + "-" +
-      String::FormatIntWidth2(time_struct->tm_mday) + "T" +
-      String::FormatIntWidth2(time_struct->tm_hour) + ":" +
-      String::FormatIntWidth2(time_struct->tm_min) + ":" +
-      String::FormatIntWidth2(time_struct->tm_sec);
-}
-
-// Streams an XML CDATA section, escaping invalid CDATA sequences as needed.
-void XmlUnitTestResultPrinter::OutputXmlCDataSection(::std::ostream* stream,
-                                                     const char* data) {
-  const char* segment = data;
-  *stream << "<![CDATA[";
-  for (;;) {
-    const char* const next_segment = strstr(segment, "]]>");
-    if (next_segment != NULL) {
-      stream->write(
-          segment, static_cast<std::streamsize>(next_segment - segment));
-      *stream << "]]>]]&gt;<![CDATA[";
-      segment = next_segment + strlen("]]>");
-    } else {
-      *stream << segment;
-      break;
-    }
-  }
-  *stream << "]]>";
-}
-
-void XmlUnitTestResultPrinter::OutputXmlAttribute(
-    std::ostream* stream,
-    const std::string& element_name,
-    const std::string& name,
-    const std::string& value) {
-  const std::vector<std::string>& allowed_names =
-      GetReservedAttributesForElement(element_name);
-
-  GTEST_CHECK_(std::find(allowed_names.begin(), allowed_names.end(), name) !=
-                   allowed_names.end())
-      << "Attribute " << name << " is not allowed for element <" << element_name
-      << ">.";
-
-  *stream << " " << name << "=\"" << EscapeXmlAttribute(value) << "\"";
-}
-
-// Prints an XML representation of a TestInfo object.
-// TODO(wan): There is also value in printing properties with the plain printer.
-void XmlUnitTestResultPrinter::OutputXmlTestInfo(::std::ostream* stream,
-                                                 const char* test_case_name,
-                                                 const TestInfo& test_info) {
-  const TestResult& result = *test_info.result();
-  const std::string kTestcase = "testcase";
-
-  *stream << "    <testcase";
-  OutputXmlAttribute(stream, kTestcase, "name", test_info.name());
-
-  if (test_info.value_param() != NULL) {
-    OutputXmlAttribute(stream, kTestcase, "value_param",
-                       test_info.value_param());
-  }
-  if (test_info.type_param() != NULL) {
-    OutputXmlAttribute(stream, kTestcase, "type_param", test_info.type_param());
-  }
-
-  OutputXmlAttribute(stream, kTestcase, "status",
-                     test_info.should_run() ? "run" : "notrun");
-  OutputXmlAttribute(stream, kTestcase, "time",
-                     FormatTimeInMillisAsSeconds(result.elapsed_time()));
-  OutputXmlAttribute(stream, kTestcase, "classname", test_case_name);
-  *stream << TestPropertiesAsXmlAttributes(result);
-
-  int failures = 0;
-  for (int i = 0; i < result.total_part_count(); ++i) {
-    const TestPartResult& part = result.GetTestPartResult(i);
-    if (part.failed()) {
-      if (++failures == 1) {
-        *stream << ">\n";
-      }
-      const string location = internal::FormatCompilerIndependentFileLocation(
-          part.file_name(), part.line_number());
-      const string summary = location + "\n" + part.summary();
-      *stream << "      <failure message=\""
-              << EscapeXmlAttribute(summary.c_str())
-              << "\" type=\"\">";
-      const string detail = location + "\n" + part.message();
-      OutputXmlCDataSection(stream, RemoveInvalidXmlCharacters(detail).c_str());
-      *stream << "</failure>\n";
-    }
-  }
-
-  if (failures == 0)
-    *stream << " />\n";
-  else
-    *stream << "    </testcase>\n";
-}
-
-// Prints an XML representation of a TestCase object
-void XmlUnitTestResultPrinter::PrintXmlTestCase(std::ostream* stream,
-                                                const TestCase& test_case) {
-  const std::string kTestsuite = "testsuite";
-  *stream << "  <" << kTestsuite;
-  OutputXmlAttribute(stream, kTestsuite, "name", test_case.name());
-  OutputXmlAttribute(stream, kTestsuite, "tests",
-                     StreamableToString(test_case.reportable_test_count()));
-  OutputXmlAttribute(stream, kTestsuite, "failures",
-                     StreamableToString(test_case.failed_test_count()));
-  OutputXmlAttribute(
-      stream, kTestsuite, "disabled",
-      StreamableToString(test_case.reportable_disabled_test_count()));
-  OutputXmlAttribute(stream, kTestsuite, "errors", "0");
-  OutputXmlAttribute(stream, kTestsuite, "time",
-                     FormatTimeInMillisAsSeconds(test_case.elapsed_time()));
-  *stream << TestPropertiesAsXmlAttributes(test_case.ad_hoc_test_result())
-          << ">\n";
-
-  for (int i = 0; i < test_case.total_test_count(); ++i) {
-    if (test_case.GetTestInfo(i)->is_reportable())
-      OutputXmlTestInfo(stream, test_case.name(), *test_case.GetTestInfo(i));
-  }
-  *stream << "  </" << kTestsuite << ">\n";
-}
-
-// Prints an XML summary of unit_test to output stream out.
-void XmlUnitTestResultPrinter::PrintXmlUnitTest(std::ostream* stream,
-                                                const UnitTest& unit_test) {
-  const std::string kTestsuites = "testsuites";
-
-  *stream << "<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n";
-  *stream << "<" << kTestsuites;
-
-  OutputXmlAttribute(stream, kTestsuites, "tests",
-                     StreamableToString(unit_test.reportable_test_count()));
-  OutputXmlAttribute(stream, kTestsuites, "failures",
-                     StreamableToString(unit_test.failed_test_count()));
-  OutputXmlAttribute(
-      stream, kTestsuites, "disabled",
-      StreamableToString(unit_test.reportable_disabled_test_count()));
-  OutputXmlAttribute(stream, kTestsuites, "errors", "0");
-  OutputXmlAttribute(
-      stream, kTestsuites, "timestamp",
-      FormatEpochTimeInMillisAsIso8601(unit_test.start_timestamp()));
-  OutputXmlAttribute(stream, kTestsuites, "time",
-                     FormatTimeInMillisAsSeconds(unit_test.elapsed_time()));
-
-  if (GTEST_FLAG(shuffle)) {
-    OutputXmlAttribute(stream, kTestsuites, "random_seed",
-                       StreamableToString(unit_test.random_seed()));
-  }
-
-  *stream << TestPropertiesAsXmlAttributes(unit_test.ad_hoc_test_result());
-
-  OutputXmlAttribute(stream, kTestsuites, "name", "AllTests");
-  *stream << ">\n";
-
-  for (int i = 0; i < unit_test.total_test_case_count(); ++i) {
-    if (unit_test.GetTestCase(i)->reportable_test_count() > 0)
-      PrintXmlTestCase(stream, *unit_test.GetTestCase(i));
-  }
-  *stream << "</" << kTestsuites << ">\n";
-}
-
-// Produces a string representing the test properties in a result as space
-// delimited XML attributes based on the property key="value" pairs.
-std::string XmlUnitTestResultPrinter::TestPropertiesAsXmlAttributes(
-    const TestResult& result) {
-  Message attributes;
-  for (int i = 0; i < result.test_property_count(); ++i) {
-    const TestProperty& property = result.GetTestProperty(i);
-    attributes << " " << property.key() << "="
-        << "\"" << EscapeXmlAttribute(property.value()) << "\"";
-  }
-  return attributes.GetString();
-}
-
-// End XmlUnitTestResultPrinter
-
-#if GTEST_CAN_STREAM_RESULTS_
-
-// Checks if str contains '=', '&', '%' or '\n' characters. If yes,
-// replaces them by "%xx" where xx is their hexadecimal value. For
-// example, replaces "=" with "%3D".  This algorithm is O(strlen(str))
-// in both time and space -- important as the input str may contain an
-// arbitrarily long test failure message and stack trace.
-string StreamingListener::UrlEncode(const char* str) {
-  string result;
-  result.reserve(strlen(str) + 1);
-  for (char ch = *str; ch != '\0'; ch = *++str) {
-    switch (ch) {
-      case '%':
-      case '=':
-      case '&':
-      case '\n':
-        result.append("%" + String::FormatByte(static_cast<unsigned char>(ch)));
-        break;
-      default:
-        result.push_back(ch);
-        break;
-    }
-  }
-  return result;
-}
-
-void StreamingListener::SocketWriter::MakeConnection() {
-  GTEST_CHECK_(sockfd_ == -1)
-      << "MakeConnection() can't be called when there is already a connection.";
-
-  addrinfo hints;
-  memset(&hints, 0, sizeof(hints));
-  hints.ai_family = AF_UNSPEC;    // To allow both IPv4 and IPv6 addresses.
-  hints.ai_socktype = SOCK_STREAM;
-  addrinfo* servinfo = NULL;
-
-  // Use the getaddrinfo() to get a linked list of IP addresses for
-  // the given host name.
-  const int error_num = getaddrinfo(
-      host_name_.c_str(), port_num_.c_str(), &hints, &servinfo);
-  if (error_num != 0) {
-    GTEST_LOG_(WARNING) << "stream_result_to: getaddrinfo() failed: "
-                        << gai_strerror(error_num);
-  }
-
-  // Loop through all the results and connect to the first we can.
-  for (addrinfo* cur_addr = servinfo; sockfd_ == -1 && cur_addr != NULL;
-       cur_addr = cur_addr->ai_next) {
-    sockfd_ = socket(
-        cur_addr->ai_family, cur_addr->ai_socktype, cur_addr->ai_protocol);
-    if (sockfd_ != -1) {
-      // Connect the client socket to the server socket.
-      if (connect(sockfd_, cur_addr->ai_addr, cur_addr->ai_addrlen) == -1) {
-        close(sockfd_);
-        sockfd_ = -1;
-      }
-    }
-  }
-
-  freeaddrinfo(servinfo);  // all done with this structure
-
-  if (sockfd_ == -1) {
-    GTEST_LOG_(WARNING) << "stream_result_to: failed to connect to "
-                        << host_name_ << ":" << port_num_;
-  }
-}
-
-// End of class Streaming Listener
-#endif  // GTEST_CAN_STREAM_RESULTS__
-
-// Class ScopedTrace
-
-// Pushes the given source file location and message onto a per-thread
-// trace stack maintained by Google Test.
-ScopedTrace::ScopedTrace(const char* file, int line, const Message& message)
-    GTEST_LOCK_EXCLUDED_(&UnitTest::mutex_) {
-  TraceInfo trace;
-  trace.file = file;
-  trace.line = line;
-  trace.message = message.GetString();
-
-  UnitTest::GetInstance()->PushGTestTrace(trace);
-}
-
-// Pops the info pushed by the c'tor.
-ScopedTrace::~ScopedTrace()
-    GTEST_LOCK_EXCLUDED_(&UnitTest::mutex_) {
-  UnitTest::GetInstance()->PopGTestTrace();
-}
-
-
-// class OsStackTraceGetter
-
-// Returns the current OS stack trace as an std::string.  Parameters:
-//
-//   max_depth  - the maximum number of stack frames to be included
-//                in the trace.
-//   skip_count - the number of top frames to be skipped; doesn't count
-//                against max_depth.
-//
-string OsStackTraceGetter::CurrentStackTrace(int /* max_depth */,
-                                             int /* skip_count */)
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-  return "";
-}
-
-void OsStackTraceGetter::UponLeavingGTest()
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-}
-
-const char* const
-OsStackTraceGetter::kElidedFramesMarker =
-    "... " GTEST_NAME_ " internal frames ...";
-
-// A helper class that creates the premature-exit file in its
-// constructor and deletes the file in its destructor.
-class ScopedPrematureExitFile {
- public:
-  explicit ScopedPrematureExitFile(const char* premature_exit_filepath)
-      : premature_exit_filepath_(premature_exit_filepath) {
-    // If a path to the premature-exit file is specified...
-    if (premature_exit_filepath != NULL && *premature_exit_filepath != '\0') {
-      // create the file with a single "0" character in it.  I/O
-      // errors are ignored as there's nothing better we can do and we
-      // don't want to fail the test because of this.
-      FILE* pfile = posix::FOpen(premature_exit_filepath, "w");
-      fwrite("0", 1, 1, pfile);
-      fclose(pfile);
-    }
-  }
-
-  ~ScopedPrematureExitFile() {
-    if (premature_exit_filepath_ != NULL && *premature_exit_filepath_ != '\0') {
-      remove(premature_exit_filepath_);
-    }
-  }
-
- private:
-  const char* const premature_exit_filepath_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedPrematureExitFile);
-};
-
-}  // namespace internal
-
-// class TestEventListeners
-
-TestEventListeners::TestEventListeners()
-    : repeater_(new internal::TestEventRepeater()),
-      default_result_printer_(NULL),
-      default_xml_generator_(NULL) {
-}
-
-TestEventListeners::~TestEventListeners() { delete repeater_; }
-
-// Returns the standard listener responsible for the default console
-// output.  Can be removed from the listeners list to shut down default
-// console output.  Note that removing this object from the listener list
-// with Release transfers its ownership to the user.
-void TestEventListeners::Append(TestEventListener* listener) {
-  repeater_->Append(listener);
-}
-
-// Removes the given event listener from the list and returns it.  It then
-// becomes the caller's responsibility to delete the listener. Returns
-// NULL if the listener is not found in the list.
-TestEventListener* TestEventListeners::Release(TestEventListener* listener) {
-  if (listener == default_result_printer_)
-    default_result_printer_ = NULL;
-  else if (listener == default_xml_generator_)
-    default_xml_generator_ = NULL;
-  return repeater_->Release(listener);
-}
-
-// Returns repeater that broadcasts the TestEventListener events to all
-// subscribers.
-TestEventListener* TestEventListeners::repeater() { return repeater_; }
-
-// Sets the default_result_printer attribute to the provided listener.
-// The listener is also added to the listener list and previous
-// default_result_printer is removed from it and deleted. The listener can
-// also be NULL in which case it will not be added to the list. Does
-// nothing if the previous and the current listener objects are the same.
-void TestEventListeners::SetDefaultResultPrinter(TestEventListener* listener) {
-  if (default_result_printer_ != listener) {
-    // It is an error to pass this method a listener that is already in the
-    // list.
-    delete Release(default_result_printer_);
-    default_result_printer_ = listener;
-    if (listener != NULL)
-      Append(listener);
-  }
-}
-
-// Sets the default_xml_generator attribute to the provided listener.  The
-// listener is also added to the listener list and previous
-// default_xml_generator is removed from it and deleted. The listener can
-// also be NULL in which case it will not be added to the list. Does
-// nothing if the previous and the current listener objects are the same.
-void TestEventListeners::SetDefaultXmlGenerator(TestEventListener* listener) {
-  if (default_xml_generator_ != listener) {
-    // It is an error to pass this method a listener that is already in the
-    // list.
-    delete Release(default_xml_generator_);
-    default_xml_generator_ = listener;
-    if (listener != NULL)
-      Append(listener);
-  }
-}
-
-// Controls whether events will be forwarded by the repeater to the
-// listeners in the list.
-bool TestEventListeners::EventForwardingEnabled() const {
-  return repeater_->forwarding_enabled();
-}
-
-void TestEventListeners::SuppressEventForwarding() {
-  repeater_->set_forwarding_enabled(false);
-}
-
-// class UnitTest
-
-// Gets the singleton UnitTest object.  The first time this method is
-// called, a UnitTest object is constructed and returned.  Consecutive
-// calls will return the same object.
-//
-// We don't protect this under mutex_ as a user is not supposed to
-// call this before main() starts, from which point on the return
-// value will never change.
-UnitTest* UnitTest::GetInstance() {
-  // When compiled with MSVC 7.1 in optimized mode, destroying the
-  // UnitTest object upon exiting the program messes up the exit code,
-  // causing successful tests to appear failed.  We have to use a
-  // different implementation in this case to bypass the compiler bug.
-  // This implementation makes the compiler happy, at the cost of
-  // leaking the UnitTest object.
-
-  // CodeGear C++Builder insists on a public destructor for the
-  // default implementation.  Use this implementation to keep good OO
-  // design with private destructor.
-
-#if (_MSC_VER == 1310 && !defined(_DEBUG)) || defined(__BORLANDC__)
-  static UnitTest* const instance = new UnitTest;
-  return instance;
-#else
-  static UnitTest instance;
-  return &instance;
-#endif  // (_MSC_VER == 1310 && !defined(_DEBUG)) || defined(__BORLANDC__)
-}
-
-// Gets the number of successful test cases.
-int UnitTest::successful_test_case_count() const {
-  return impl()->successful_test_case_count();
-}
-
-// Gets the number of failed test cases.
-int UnitTest::failed_test_case_count() const {
-  return impl()->failed_test_case_count();
-}
-
-// Gets the number of all test cases.
-int UnitTest::total_test_case_count() const {
-  return impl()->total_test_case_count();
-}
-
-// Gets the number of all test cases that contain at least one test
-// that should run.
-int UnitTest::test_case_to_run_count() const {
-  return impl()->test_case_to_run_count();
-}
-
-// Gets the number of successful tests.
-int UnitTest::successful_test_count() const {
-  return impl()->successful_test_count();
-}
-
-// Gets the number of failed tests.
-int UnitTest::failed_test_count() const { return impl()->failed_test_count(); }
-
-// Gets the number of disabled tests that will be reported in the XML report.
-int UnitTest::reportable_disabled_test_count() const {
-  return impl()->reportable_disabled_test_count();
-}
-
-// Gets the number of disabled tests.
-int UnitTest::disabled_test_count() const {
-  return impl()->disabled_test_count();
-}
-
-// Gets the number of tests to be printed in the XML report.
-int UnitTest::reportable_test_count() const {
-  return impl()->reportable_test_count();
-}
-
-// Gets the number of all tests.
-int UnitTest::total_test_count() const { return impl()->total_test_count(); }
-
-// Gets the number of tests that should run.
-int UnitTest::test_to_run_count() const { return impl()->test_to_run_count(); }
-
-// Gets the time of the test program start, in ms from the start of the
-// UNIX epoch.
-internal::TimeInMillis UnitTest::start_timestamp() const {
-    return impl()->start_timestamp();
-}
-
-// Gets the elapsed time, in milliseconds.
-internal::TimeInMillis UnitTest::elapsed_time() const {
-  return impl()->elapsed_time();
-}
-
-// Returns true iff the unit test passed (i.e. all test cases passed).
-bool UnitTest::Passed() const { return impl()->Passed(); }
-
-// Returns true iff the unit test failed (i.e. some test case failed
-// or something outside of all tests failed).
-bool UnitTest::Failed() const { return impl()->Failed(); }
-
-// Gets the i-th test case among all the test cases. i can range from 0 to
-// total_test_case_count() - 1. If i is not in that range, returns NULL.
-const TestCase* UnitTest::GetTestCase(int i) const {
-  return impl()->GetTestCase(i);
-}
-
-// Returns the TestResult containing information on test failures and
-// properties logged outside of individual test cases.
-const TestResult& UnitTest::ad_hoc_test_result() const {
-  return *impl()->ad_hoc_test_result();
-}
-
-// Gets the i-th test case among all the test cases. i can range from 0 to
-// total_test_case_count() - 1. If i is not in that range, returns NULL.
-TestCase* UnitTest::GetMutableTestCase(int i) {
-  return impl()->GetMutableTestCase(i);
-}
-
-// Returns the list of event listeners that can be used to track events
-// inside Google Test.
-TestEventListeners& UnitTest::listeners() {
-  return *impl()->listeners();
-}
-
-// Registers and returns a global test environment.  When a test
-// program is run, all global test environments will be set-up in the
-// order they were registered.  After all tests in the program have
-// finished, all global test environments will be torn-down in the
-// *reverse* order they were registered.
-//
-// The UnitTest object takes ownership of the given environment.
-//
-// We don't protect this under mutex_, as we only support calling it
-// from the main thread.
-Environment* UnitTest::AddEnvironment(Environment* env) {
-  if (env == NULL) {
-    return NULL;
-  }
-
-  impl_->environments().push_back(env);
-  return env;
-}
-
-// Adds a TestPartResult to the current TestResult object.  All Google Test
-// assertion macros (e.g. ASSERT_TRUE, EXPECT_EQ, etc) eventually call
-// this to report their results.  The user code should use the
-// assertion macros instead of calling this directly.
-void UnitTest::AddTestPartResult(
-    TestPartResult::Type result_type,
-    const char* file_name,
-    int line_number,
-    const std::string& message,
-    const std::string& os_stack_trace) GTEST_LOCK_EXCLUDED_(mutex_) {
-  Message msg;
-  msg << message;
-
-  internal::MutexLock lock(&mutex_);
-  if (impl_->gtest_trace_stack().size() > 0) {
-    msg << "\n" << GTEST_NAME_ << " trace:";
-
-    for (int i = static_cast<int>(impl_->gtest_trace_stack().size());
-         i > 0; --i) {
-      const internal::TraceInfo& trace = impl_->gtest_trace_stack()[i - 1];
-      msg << "\n" << internal::FormatFileLocation(trace.file, trace.line)
-          << " " << trace.message;
-    }
-  }
-
-  if (os_stack_trace.c_str() != NULL && !os_stack_trace.empty()) {
-    msg << internal::kStackTraceMarker << os_stack_trace;
-  }
-
-  const TestPartResult result =
-    TestPartResult(result_type, file_name, line_number,
-                   msg.GetString().c_str());
-  impl_->GetTestPartResultReporterForCurrentThread()->
-      ReportTestPartResult(result);
-
-  if (result_type != TestPartResult::kSuccess) {
-    // gtest_break_on_failure takes precedence over
-    // gtest_throw_on_failure.  This allows a user to set the latter
-    // in the code (perhaps in order to use Google Test assertions
-    // with another testing framework) and specify the former on the
-    // command line for debugging.
-    if (GTEST_FLAG(break_on_failure)) {
-#if GTEST_OS_WINDOWS
-      // Using DebugBreak on Windows allows gtest to still break into a debugger
-      // when a failure happens and both the --gtest_break_on_failure and
-      // the --gtest_catch_exceptions flags are specified.
-      DebugBreak();
-#else
-      // Dereference NULL through a volatile pointer to prevent the compiler
-      // from removing. We use this rather than abort() or __builtin_trap() for
-      // portability: Symbian doesn't implement abort() well, and some debuggers
-      // don't correctly trap abort().
-      *static_cast<volatile int*>(NULL) = 1;
-#endif  // GTEST_OS_WINDOWS
-    } else if (GTEST_FLAG(throw_on_failure)) {
-#if GTEST_HAS_EXCEPTIONS
-      throw internal::GoogleTestFailureException(result);
-#else
-      // We cannot call abort() as it generates a pop-up in debug mode
-      // that cannot be suppressed in VC 7.1 or below.
-      exit(1);
-#endif
-    }
-  }
-}
-
-// Adds a TestProperty to the current TestResult object when invoked from
-// inside a test, to current TestCase's ad_hoc_test_result_ when invoked
-// from SetUpTestCase or TearDownTestCase, or to the global property set
-// when invoked elsewhere.  If the result already contains a property with
-// the same key, the value will be updated.
-void UnitTest::RecordProperty(const std::string& key,
-                              const std::string& value) {
-  impl_->RecordProperty(TestProperty(key, value));
-}
-
-// Runs all tests in this UnitTest object and prints the result.
-// Returns 0 if successful, or 1 otherwise.
-//
-// We don't protect this under mutex_, as we only support calling it
-// from the main thread.
-int UnitTest::Run() {
-  const bool in_death_test_child_process =
-      internal::GTEST_FLAG(internal_run_death_test).length() > 0;
-
-  // Google Test implements this protocol for catching that a test
-  // program exits before returning control to Google Test:
-  //
-  //   1. Upon start, Google Test creates a file whose absolute path
-  //      is specified by the environment variable
-  //      TEST_PREMATURE_EXIT_FILE.
-  //   2. When Google Test has finished its work, it deletes the file.
-  //
-  // This allows a test runner to set TEST_PREMATURE_EXIT_FILE before
-  // running a Google-Test-based test program and check the existence
-  // of the file at the end of the test execution to see if it has
-  // exited prematurely.
-
-  // If we are in the child process of a death test, don't
-  // create/delete the premature exit file, as doing so is unnecessary
-  // and will confuse the parent process.  Otherwise, create/delete
-  // the file upon entering/leaving this function.  If the program
-  // somehow exits before this function has a chance to return, the
-  // premature-exit file will be left undeleted, causing a test runner
-  // that understands the premature-exit-file protocol to report the
-  // test as having failed.
-  const internal::ScopedPrematureExitFile premature_exit_file(
-      in_death_test_child_process ?
-      NULL : internal::posix::GetEnv("TEST_PREMATURE_EXIT_FILE"));
-
-  // Captures the value of GTEST_FLAG(catch_exceptions).  This value will be
-  // used for the duration of the program.
-  impl()->set_catch_exceptions(GTEST_FLAG(catch_exceptions));
-
-#if GTEST_HAS_SEH
-  // Either the user wants Google Test to catch exceptions thrown by the
-  // tests or this is executing in the context of death test child
-  // process. In either case the user does not want to see pop-up dialogs
-  // about crashes - they are expected.
-  if (impl()->catch_exceptions() || in_death_test_child_process) {
-# if !GTEST_OS_WINDOWS_MOBILE
-    // SetErrorMode doesn't exist on CE.
-    SetErrorMode(SEM_FAILCRITICALERRORS | SEM_NOALIGNMENTFAULTEXCEPT |
-                 SEM_NOGPFAULTERRORBOX | SEM_NOOPENFILEERRORBOX);
-# endif  // !GTEST_OS_WINDOWS_MOBILE
-
-# if (defined(_MSC_VER) || GTEST_OS_WINDOWS_MINGW) && !GTEST_OS_WINDOWS_MOBILE
-    // Death test children can be terminated with _abort().  On Windows,
-    // _abort() can show a dialog with a warning message.  This forces the
-    // abort message to go to stderr instead.
-    _set_error_mode(_OUT_TO_STDERR);
-# endif
-
-# if _MSC_VER >= 1400 && !GTEST_OS_WINDOWS_MOBILE
-    // In the debug version, Visual Studio pops up a separate dialog
-    // offering a choice to debug the aborted program. We need to suppress
-    // this dialog or it will pop up for every EXPECT/ASSERT_DEATH statement
-    // executed. Google Test will notify the user of any unexpected
-    // failure via stderr.
-    //
-    // VC++ doesn't define _set_abort_behavior() prior to the version 8.0.
-    // Users of prior VC versions shall suffer the agony and pain of
-    // clicking through the countless debug dialogs.
-    // TODO(vladl@google.com): find a way to suppress the abort dialog() in the
-    // debug mode when compiled with VC 7.1 or lower.
-    if (!GTEST_FLAG(break_on_failure))
-      _set_abort_behavior(
-          0x0,                                    // Clear the following flags:
-          _WRITE_ABORT_MSG | _CALL_REPORTFAULT);  // pop-up window, core dump.
-# endif
-  }
-#endif  // GTEST_HAS_SEH
-
-  return internal::HandleExceptionsInMethodIfSupported(
-      impl(),
-      &internal::UnitTestImpl::RunAllTests,
-      "auxiliary test code (environments or event listeners)") ? 0 : 1;
-}
-
-// Returns the working directory when the first TEST() or TEST_F() was
-// executed.
-const char* UnitTest::original_working_dir() const {
-  return impl_->original_working_dir_.c_str();
-}
-
-// Returns the TestCase object for the test that's currently running,
-// or NULL if no test is running.
-const TestCase* UnitTest::current_test_case() const
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-  internal::MutexLock lock(&mutex_);
-  return impl_->current_test_case();
-}
-
-// Returns the TestInfo object for the test that's currently running,
-// or NULL if no test is running.
-const TestInfo* UnitTest::current_test_info() const
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-  internal::MutexLock lock(&mutex_);
-  return impl_->current_test_info();
-}
-
-// Returns the random seed used at the start of the current test run.
-int UnitTest::random_seed() const { return impl_->random_seed(); }
-
-#if GTEST_HAS_PARAM_TEST
-// Returns ParameterizedTestCaseRegistry object used to keep track of
-// value-parameterized tests and instantiate and register them.
-internal::ParameterizedTestCaseRegistry&
-    UnitTest::parameterized_test_registry()
-        GTEST_LOCK_EXCLUDED_(mutex_) {
-  return impl_->parameterized_test_registry();
-}
-#endif  // GTEST_HAS_PARAM_TEST
-
-// Creates an empty UnitTest.
-UnitTest::UnitTest() {
-  impl_ = new internal::UnitTestImpl(this);
-}
-
-// Destructor of UnitTest.
-UnitTest::~UnitTest() {
-  delete impl_;
-}
-
-// Pushes a trace defined by SCOPED_TRACE() on to the per-thread
-// Google Test trace stack.
-void UnitTest::PushGTestTrace(const internal::TraceInfo& trace)
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-  internal::MutexLock lock(&mutex_);
-  impl_->gtest_trace_stack().push_back(trace);
-}
-
-// Pops a trace from the per-thread Google Test trace stack.
-void UnitTest::PopGTestTrace()
-    GTEST_LOCK_EXCLUDED_(mutex_) {
-  internal::MutexLock lock(&mutex_);
-  impl_->gtest_trace_stack().pop_back();
-}
-
-namespace internal {
-
-UnitTestImpl::UnitTestImpl(UnitTest* parent)
-    : parent_(parent),
-#ifdef _MSC_VER
-# pragma warning(push)                    // Saves the current warning state.
-# pragma warning(disable:4355)            // Temporarily disables warning 4355
-                                         // (using this in initializer).
-      default_global_test_part_result_reporter_(this),
-      default_per_thread_test_part_result_reporter_(this),
-# pragma warning(pop)                     // Restores the warning state again.
-#else
-      default_global_test_part_result_reporter_(this),
-      default_per_thread_test_part_result_reporter_(this),
-#endif  // _MSC_VER
-      global_test_part_result_repoter_(
-          &default_global_test_part_result_reporter_),
-      per_thread_test_part_result_reporter_(
-          &default_per_thread_test_part_result_reporter_),
-#if GTEST_HAS_PARAM_TEST
-      parameterized_test_registry_(),
-      parameterized_tests_registered_(false),
-#endif  // GTEST_HAS_PARAM_TEST
-      last_death_test_case_(-1),
-      current_test_case_(NULL),
-      current_test_info_(NULL),
-      ad_hoc_test_result_(),
-      os_stack_trace_getter_(NULL),
-      post_flag_parse_init_performed_(false),
-      random_seed_(0),  // Will be overridden by the flag before first use.
-      random_(0),  // Will be reseeded before first use.
-      start_timestamp_(0),
-      elapsed_time_(0),
-#if GTEST_HAS_DEATH_TEST
-      death_test_factory_(new DefaultDeathTestFactory),
-#endif
-      // Will be overridden by the flag before first use.
-      catch_exceptions_(false) {
-  listeners()->SetDefaultResultPrinter(new PrettyUnitTestResultPrinter);
-}
-
-UnitTestImpl::~UnitTestImpl() {
-  // Deletes every TestCase.
-  ForEach(test_cases_, internal::Delete<TestCase>);
-
-  // Deletes every Environment.
-  ForEach(environments_, internal::Delete<Environment>);
-
-  delete os_stack_trace_getter_;
-}
-
-// Adds a TestProperty to the current TestResult object when invoked in a
-// context of a test, to current test case's ad_hoc_test_result when invoke
-// from SetUpTestCase/TearDownTestCase, or to the global property set
-// otherwise.  If the result already contains a property with the same key,
-// the value will be updated.
-void UnitTestImpl::RecordProperty(const TestProperty& test_property) {
-  std::string xml_element;
-  TestResult* test_result;  // TestResult appropriate for property recording.
-
-  if (current_test_info_ != NULL) {
-    xml_element = "testcase";
-    test_result = &(current_test_info_->result_);
-  } else if (current_test_case_ != NULL) {
-    xml_element = "testsuite";
-    test_result = &(current_test_case_->ad_hoc_test_result_);
-  } else {
-    xml_element = "testsuites";
-    test_result = &ad_hoc_test_result_;
-  }
-  test_result->RecordProperty(xml_element, test_property);
-}
-
-#if GTEST_HAS_DEATH_TEST
-// Disables event forwarding if the control is currently in a death test
-// subprocess. Must not be called before InitGoogleTest.
-void UnitTestImpl::SuppressTestEventsIfInSubprocess() {
-  if (internal_run_death_test_flag_.get() != NULL)
-    listeners()->SuppressEventForwarding();
-}
-#endif  // GTEST_HAS_DEATH_TEST
-
-// Initializes event listeners performing XML output as specified by
-// UnitTestOptions. Must not be called before InitGoogleTest.
-void UnitTestImpl::ConfigureXmlOutput() {
-  const std::string& output_format = UnitTestOptions::GetOutputFormat();
-  if (output_format == "xml") {
-    listeners()->SetDefaultXmlGenerator(new XmlUnitTestResultPrinter(
-        UnitTestOptions::GetAbsolutePathToOutputFile().c_str()));
-  } else if (output_format != "") {
-    printf("WARNING: unrecognized output format \"%s\" ignored.\n",
-           output_format.c_str());
-    fflush(stdout);
-  }
-}
-
-#if GTEST_CAN_STREAM_RESULTS_
-// Initializes event listeners for streaming test results in string form.
-// Must not be called before InitGoogleTest.
-void UnitTestImpl::ConfigureStreamingOutput() {
-  const std::string& target = GTEST_FLAG(stream_result_to);
-  if (!target.empty()) {
-    const size_t pos = target.find(':');
-    if (pos != std::string::npos) {
-      listeners()->Append(new StreamingListener(target.substr(0, pos),
-                                                target.substr(pos+1)));
-    } else {
-      printf("WARNING: unrecognized streaming target \"%s\" ignored.\n",
-             target.c_str());
-      fflush(stdout);
-    }
-  }
-}
-#endif  // GTEST_CAN_STREAM_RESULTS_
-
-// Performs initialization dependent upon flag values obtained in
-// ParseGoogleTestFlagsOnly.  Is called from InitGoogleTest after the call to
-// ParseGoogleTestFlagsOnly.  In case a user neglects to call InitGoogleTest
-// this function is also called from RunAllTests.  Since this function can be
-// called more than once, it has to be idempotent.
-void UnitTestImpl::PostFlagParsingInit() {
-  // Ensures that this function does not execute more than once.
-  if (!post_flag_parse_init_performed_) {
-    post_flag_parse_init_performed_ = true;
-
-#if GTEST_HAS_DEATH_TEST
-    InitDeathTestSubprocessControlInfo();
-    SuppressTestEventsIfInSubprocess();
-#endif  // GTEST_HAS_DEATH_TEST
-
-    // Registers parameterized tests. This makes parameterized tests
-    // available to the UnitTest reflection API without running
-    // RUN_ALL_TESTS.
-    RegisterParameterizedTests();
-
-    // Configures listeners for XML output. This makes it possible for users
-    // to shut down the default XML output before invoking RUN_ALL_TESTS.
-    ConfigureXmlOutput();
-
-#if GTEST_CAN_STREAM_RESULTS_
-    // Configures listeners for streaming test results to the specified server.
-    ConfigureStreamingOutput();
-#endif  // GTEST_CAN_STREAM_RESULTS_
-  }
-}
-
-// A predicate that checks the name of a TestCase against a known
-// value.
-//
-// This is used for implementation of the UnitTest class only.  We put
-// it in the anonymous namespace to prevent polluting the outer
-// namespace.
-//
-// TestCaseNameIs is copyable.
-class TestCaseNameIs {
- public:
-  // Constructor.
-  explicit TestCaseNameIs(const std::string& name)
-      : name_(name) {}
-
-  // Returns true iff the name of test_case matches name_.
-  bool operator()(const TestCase* test_case) const {
-    return test_case != NULL && strcmp(test_case->name(), name_.c_str()) == 0;
-  }
-
- private:
-  std::string name_;
-};
-
-// Finds and returns a TestCase with the given name.  If one doesn't
-// exist, creates one and returns it.  It's the CALLER'S
-// RESPONSIBILITY to ensure that this function is only called WHEN THE
-// TESTS ARE NOT SHUFFLED.
-//
-// Arguments:
-//
-//   test_case_name: name of the test case
-//   type_param:     the name of the test case's type parameter, or NULL if
-//                   this is not a typed or a type-parameterized test case.
-//   set_up_tc:      pointer to the function that sets up the test case
-//   tear_down_tc:   pointer to the function that tears down the test case
-TestCase* UnitTestImpl::GetTestCase(const char* test_case_name,
-                                    const char* type_param,
-                                    Test::SetUpTestCaseFunc set_up_tc,
-                                    Test::TearDownTestCaseFunc tear_down_tc) {
-  // Can we find a TestCase with the given name?
-  const std::vector<TestCase*>::const_iterator test_case =
-      std::find_if(test_cases_.begin(), test_cases_.end(),
-                   TestCaseNameIs(test_case_name));
-
-  if (test_case != test_cases_.end())
-    return *test_case;
-
-  // No.  Let's create one.
-  TestCase* const new_test_case =
-      new TestCase(test_case_name, type_param, set_up_tc, tear_down_tc);
-
-  // Is this a death test case?
-  if (internal::UnitTestOptions::MatchesFilter(test_case_name,
-                                               kDeathTestCaseFilter)) {
-    // Yes.  Inserts the test case after the last death test case
-    // defined so far.  This only works when the test cases haven't
-    // been shuffled.  Otherwise we may end up running a death test
-    // after a non-death test.
-    ++last_death_test_case_;
-    test_cases_.insert(test_cases_.begin() + last_death_test_case_,
-                       new_test_case);
-  } else {
-    // No.  Appends to the end of the list.
-    test_cases_.push_back(new_test_case);
-  }
-
-  test_case_indices_.push_back(static_cast<int>(test_case_indices_.size()));
-  return new_test_case;
-}
-
-// Helpers for setting up / tearing down the given environment.  They
-// are for use in the ForEach() function.
-static void SetUpEnvironment(Environment* env) { env->SetUp(); }
-static void TearDownEnvironment(Environment* env) { env->TearDown(); }
-
-// Runs all tests in this UnitTest object, prints the result, and
-// returns true if all tests are successful.  If any exception is
-// thrown during a test, the test is considered to be failed, but the
-// rest of the tests will still be run.
-//
-// When parameterized tests are enabled, it expands and registers
-// parameterized tests first in RegisterParameterizedTests().
-// All other functions called from RunAllTests() may safely assume that
-// parameterized tests are ready to be counted and run.
-bool UnitTestImpl::RunAllTests() {
-  // Makes sure InitGoogleTest() was called.
-  if (!GTestIsInitialized()) {
-    printf("%s",
-           "\nThis test program did NOT call ::testing::InitGoogleTest "
-           "before calling RUN_ALL_TESTS().  Please fix it.\n");
-    return false;
-  }
-
-  // Do not run any test if the --help flag was specified.
-  if (g_help_flag)
-    return true;
-
-  // Repeats the call to the post-flag parsing initialization in case the
-  // user didn't call InitGoogleTest.
-  PostFlagParsingInit();
-
-  // Even if sharding is not on, test runners may want to use the
-  // GTEST_SHARD_STATUS_FILE to query whether the test supports the sharding
-  // protocol.
-  internal::WriteToShardStatusFileIfNeeded();
-
-  // True iff we are in a subprocess for running a thread-safe-style
-  // death test.
-  bool in_subprocess_for_death_test = false;
-
-#if GTEST_HAS_DEATH_TEST
-  in_subprocess_for_death_test = (internal_run_death_test_flag_.get() != NULL);
-#endif  // GTEST_HAS_DEATH_TEST
-
-  const bool should_shard = ShouldShard(kTestTotalShards, kTestShardIndex,
-                                        in_subprocess_for_death_test);
-
-  // Compares the full test names with the filter to decide which
-  // tests to run.
-  const bool has_tests_to_run = FilterTests(should_shard
-                                              ? HONOR_SHARDING_PROTOCOL
-                                              : IGNORE_SHARDING_PROTOCOL) > 0;
-
-  // Lists the tests and exits if the --gtest_list_tests flag was specified.
-  if (GTEST_FLAG(list_tests)) {
-    // This must be called *after* FilterTests() has been called.
-    ListTestsMatchingFilter();
-    return true;
-  }
-
-  random_seed_ = GTEST_FLAG(shuffle) ?
-      GetRandomSeedFromFlag(GTEST_FLAG(random_seed)) : 0;
-
-  // True iff at least one test has failed.
-  bool failed = false;
-
-  TestEventListener* repeater = listeners()->repeater();
-
-  start_timestamp_ = GetTimeInMillis();
-  repeater->OnTestProgramStart(*parent_);
-
-  // How many times to repeat the tests?  We don't want to repeat them
-  // when we are inside the subprocess of a death test.
-  const int repeat = in_subprocess_for_death_test ? 1 : GTEST_FLAG(repeat);
-  // Repeats forever if the repeat count is negative.
-  const bool forever = repeat < 0;
-  for (int i = 0; forever || i != repeat; i++) {
-    // We want to preserve failures generated by ad-hoc test
-    // assertions executed before RUN_ALL_TESTS().
-    ClearNonAdHocTestResult();
-
-    const TimeInMillis start = GetTimeInMillis();
-
-    // Shuffles test cases and tests if requested.
-    if (has_tests_to_run && GTEST_FLAG(shuffle)) {
-      random()->Reseed(random_seed_);
-      // This should be done before calling OnTestIterationStart(),
-      // such that a test event listener can see the actual test order
-      // in the event.
-      ShuffleTests();
-    }
-
-    // Tells the unit test event listeners that the tests are about to start.
-    repeater->OnTestIterationStart(*parent_, i);
-
-    // Runs each test case if there is at least one test to run.
-    if (has_tests_to_run) {
-      // Sets up all environments beforehand.
-      repeater->OnEnvironmentsSetUpStart(*parent_);
-      ForEach(environments_, SetUpEnvironment);
-      repeater->OnEnvironmentsSetUpEnd(*parent_);
-
-      // Runs the tests only if there was no fatal failure during global
-      // set-up.
-      if (!Test::HasFatalFailure()) {
-        for (int test_index = 0; test_index < total_test_case_count();
-             test_index++) {
-          GetMutableTestCase(test_index)->Run();
-        }
-      }
-
-      // Tears down all environments in reverse order afterwards.
-      repeater->OnEnvironmentsTearDownStart(*parent_);
-      std::for_each(environments_.rbegin(), environments_.rend(),
-                    TearDownEnvironment);
-      repeater->OnEnvironmentsTearDownEnd(*parent_);
-    }
-
-    elapsed_time_ = GetTimeInMillis() - start;
-
-    // Tells the unit test event listener that the tests have just finished.
-    repeater->OnTestIterationEnd(*parent_, i);
-
-    // Gets the result and clears it.
-    if (!Passed()) {
-      failed = true;
-    }
-
-    // Restores the original test order after the iteration.  This
-    // allows the user to quickly repro a failure that happens in the
-    // N-th iteration without repeating the first (N - 1) iterations.
-    // This is not enclosed in "if (GTEST_FLAG(shuffle)) { ... }", in
-    // case the user somehow changes the value of the flag somewhere
-    // (it's always safe to unshuffle the tests).
-    UnshuffleTests();
-
-    if (GTEST_FLAG(shuffle)) {
-      // Picks a new random seed for each iteration.
-      random_seed_ = GetNextRandomSeed(random_seed_);
-    }
-  }
-
-  repeater->OnTestProgramEnd(*parent_);
-
-  return !failed;
-}
-
-// Reads the GTEST_SHARD_STATUS_FILE environment variable, and creates the file
-// if the variable is present. If a file already exists at this location, this
-// function will write over it. If the variable is present, but the file cannot
-// be created, prints an error and exits.
-void WriteToShardStatusFileIfNeeded() {
-  const char* const test_shard_file = posix::GetEnv(kTestShardStatusFile);
-  if (test_shard_file != NULL) {
-    FILE* const file = posix::FOpen(test_shard_file, "w");
-    if (file == NULL) {
-      ColoredPrintf(COLOR_RED,
-                    "Could not write to the test shard status file \"%s\" "
-                    "specified by the %s environment variable.\n",
-                    test_shard_file, kTestShardStatusFile);
-      fflush(stdout);
-      exit(EXIT_FAILURE);
-    }
-    fclose(file);
-  }
-}
-
-// Checks whether sharding is enabled by examining the relevant
-// environment variable values. If the variables are present,
-// but inconsistent (i.e., shard_index >= total_shards), prints
-// an error and exits. If in_subprocess_for_death_test, sharding is
-// disabled because it must only be applied to the original test
-// process. Otherwise, we could filter out death tests we intended to execute.
-bool ShouldShard(const char* total_shards_env,
-                 const char* shard_index_env,
-                 bool in_subprocess_for_death_test) {
-  if (in_subprocess_for_death_test) {
-    return false;
-  }
-
-  const Int32 total_shards = Int32FromEnvOrDie(total_shards_env, -1);
-  const Int32 shard_index = Int32FromEnvOrDie(shard_index_env, -1);
-
-  if (total_shards == -1 && shard_index == -1) {
-    return false;
-  } else if (total_shards == -1 && shard_index != -1) {
-    const Message msg = Message()
-      << "Invalid environment variables: you have "
-      << kTestShardIndex << " = " << shard_index
-      << ", but have left " << kTestTotalShards << " unset.\n";
-    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
-    fflush(stdout);
-    exit(EXIT_FAILURE);
-  } else if (total_shards != -1 && shard_index == -1) {
-    const Message msg = Message()
-      << "Invalid environment variables: you have "
-      << kTestTotalShards << " = " << total_shards
-      << ", but have left " << kTestShardIndex << " unset.\n";
-    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
-    fflush(stdout);
-    exit(EXIT_FAILURE);
-  } else if (shard_index < 0 || shard_index >= total_shards) {
-    const Message msg = Message()
-      << "Invalid environment variables: we require 0 <= "
-      << kTestShardIndex << " < " << kTestTotalShards
-      << ", but you have " << kTestShardIndex << "=" << shard_index
-      << ", " << kTestTotalShards << "=" << total_shards << ".\n";
-    ColoredPrintf(COLOR_RED, msg.GetString().c_str());
-    fflush(stdout);
-    exit(EXIT_FAILURE);
-  }
-
-  return total_shards > 1;
-}
-
-// Parses the environment variable var as an Int32. If it is unset,
-// returns default_val. If it is not an Int32, prints an error
-// and aborts.
-Int32 Int32FromEnvOrDie(const char* var, Int32 default_val) {
-  const char* str_val = posix::GetEnv(var);
-  if (str_val == NULL) {
-    return default_val;
-  }
-
-  Int32 result;
-  if (!ParseInt32(Message() << "The value of environment variable " << var,
-                  str_val, &result)) {
-    exit(EXIT_FAILURE);
-  }
-  return result;
-}
-
-// Given the total number of shards, the shard index, and the test id,
-// returns true iff the test should be run on this shard. The test id is
-// some arbitrary but unique non-negative integer assigned to each test
-// method. Assumes that 0 <= shard_index < total_shards.
-bool ShouldRunTestOnShard(int total_shards, int shard_index, int test_id) {
-  return (test_id % total_shards) == shard_index;
-}
-
-// Compares the name of each test with the user-specified filter to
-// decide whether the test should be run, then records the result in
-// each TestCase and TestInfo object.
-// If shard_tests == true, further filters tests based on sharding
-// variables in the environment - see
-// http://code.google.com/p/googletest/wiki/GoogleTestAdvancedGuide.
-// Returns the number of tests that should run.
-int UnitTestImpl::FilterTests(ReactionToSharding shard_tests) {
-  const Int32 total_shards = shard_tests == HONOR_SHARDING_PROTOCOL ?
-      Int32FromEnvOrDie(kTestTotalShards, -1) : -1;
-  const Int32 shard_index = shard_tests == HONOR_SHARDING_PROTOCOL ?
-      Int32FromEnvOrDie(kTestShardIndex, -1) : -1;
-
-  // num_runnable_tests are the number of tests that will
-  // run across all shards (i.e., match filter and are not disabled).
-  // num_selected_tests are the number of tests to be run on
-  // this shard.
-  int num_runnable_tests = 0;
-  int num_selected_tests = 0;
-  for (size_t i = 0; i < test_cases_.size(); i++) {
-    TestCase* const test_case = test_cases_[i];
-    const std::string &test_case_name = test_case->name();
-    test_case->set_should_run(false);
-
-    for (size_t j = 0; j < test_case->test_info_list().size(); j++) {
-      TestInfo* const test_info = test_case->test_info_list()[j];
-      const std::string test_name(test_info->name());
-      // A test is disabled if test case name or test name matches
-      // kDisableTestFilter.
-      const bool is_disabled =
-          internal::UnitTestOptions::MatchesFilter(test_case_name,
-                                                   kDisableTestFilter) ||
-          internal::UnitTestOptions::MatchesFilter(test_name,
-                                                   kDisableTestFilter);
-      test_info->is_disabled_ = is_disabled;
-
-      const bool matches_filter =
-          internal::UnitTestOptions::FilterMatchesTest(test_case_name,
-                                                       test_name);
-      test_info->matches_filter_ = matches_filter;
-
-      const bool is_runnable =
-          (GTEST_FLAG(also_run_disabled_tests) || !is_disabled) &&
-          matches_filter;
-
-      const bool is_selected = is_runnable &&
-          (shard_tests == IGNORE_SHARDING_PROTOCOL ||
-           ShouldRunTestOnShard(total_shards, shard_index,
-                                num_runnable_tests));
-
-      num_runnable_tests += is_runnable;
-      num_selected_tests += is_selected;
-
-      test_info->should_run_ = is_selected;
-      test_case->set_should_run(test_case->should_run() || is_selected);
-    }
-  }
-  return num_selected_tests;
-}
-
-// Prints the given C-string on a single line by replacing all '\n'
-// characters with string "\\n".  If the output takes more than
-// max_length characters, only prints the first max_length characters
-// and "...".
-static void PrintOnOneLine(const char* str, int max_length) {
-  if (str != NULL) {
-    for (int i = 0; *str != '\0'; ++str) {
-      if (i >= max_length) {
-        printf("...");
-        break;
-      }
-      if (*str == '\n') {
-        printf("\\n");
-        i += 2;
-      } else {
-        printf("%c", *str);
-        ++i;
-      }
-    }
-  }
-}
-
-// Prints the names of the tests matching the user-specified filter flag.
-void UnitTestImpl::ListTestsMatchingFilter() {
-  // Print at most this many characters for each type/value parameter.
-  const int kMaxParamLength = 250;
-
-  for (size_t i = 0; i < test_cases_.size(); i++) {
-    const TestCase* const test_case = test_cases_[i];
-    bool printed_test_case_name = false;
-
-    for (size_t j = 0; j < test_case->test_info_list().size(); j++) {
-      const TestInfo* const test_info =
-          test_case->test_info_list()[j];
-      if (test_info->matches_filter_) {
-        if (!printed_test_case_name) {
-          printed_test_case_name = true;
-          printf("%s.", test_case->name());
-          if (test_case->type_param() != NULL) {
-            printf("  # %s = ", kTypeParamLabel);
-            // We print the type parameter on a single line to make
-            // the output easy to parse by a program.
-            PrintOnOneLine(test_case->type_param(), kMaxParamLength);
-          }
-          printf("\n");
-        }
-        printf("  %s", test_info->name());
-        if (test_info->value_param() != NULL) {
-          printf("  # %s = ", kValueParamLabel);
-          // We print the value parameter on a single line to make the
-          // output easy to parse by a program.
-          PrintOnOneLine(test_info->value_param(), kMaxParamLength);
-        }
-        printf("\n");
-      }
-    }
-  }
-  fflush(stdout);
-}
-
-// Sets the OS stack trace getter.
-//
-// Does nothing if the input and the current OS stack trace getter are
-// the same; otherwise, deletes the old getter and makes the input the
-// current getter.
-void UnitTestImpl::set_os_stack_trace_getter(
-    OsStackTraceGetterInterface* getter) {
-  if (os_stack_trace_getter_ != getter) {
-    delete os_stack_trace_getter_;
-    os_stack_trace_getter_ = getter;
-  }
-}
-
-// Returns the current OS stack trace getter if it is not NULL;
-// otherwise, creates an OsStackTraceGetter, makes it the current
-// getter, and returns it.
-OsStackTraceGetterInterface* UnitTestImpl::os_stack_trace_getter() {
-  if (os_stack_trace_getter_ == NULL) {
-    os_stack_trace_getter_ = new OsStackTraceGetter;
-  }
-
-  return os_stack_trace_getter_;
-}
-
-// Returns the TestResult for the test that's currently running, or
-// the TestResult for the ad hoc test if no test is running.
-TestResult* UnitTestImpl::current_test_result() {
-  return current_test_info_ ?
-      &(current_test_info_->result_) : &ad_hoc_test_result_;
-}
-
-// Shuffles all test cases, and the tests within each test case,
-// making sure that death tests are still run first.
-void UnitTestImpl::ShuffleTests() {
-  // Shuffles the death test cases.
-  ShuffleRange(random(), 0, last_death_test_case_ + 1, &test_case_indices_);
-
-  // Shuffles the non-death test cases.
-  ShuffleRange(random(), last_death_test_case_ + 1,
-               static_cast<int>(test_cases_.size()), &test_case_indices_);
-
-  // Shuffles the tests inside each test case.
-  for (size_t i = 0; i < test_cases_.size(); i++) {
-    test_cases_[i]->ShuffleTests(random());
-  }
-}
-
-// Restores the test cases and tests to their order before the first shuffle.
-void UnitTestImpl::UnshuffleTests() {
-  for (size_t i = 0; i < test_cases_.size(); i++) {
-    // Unshuffles the tests in each test case.
-    test_cases_[i]->UnshuffleTests();
-    // Resets the index of each test case.
-    test_case_indices_[i] = static_cast<int>(i);
-  }
-}
-
-// Returns the current OS stack trace as an std::string.
-//
-// The maximum number of stack frames to be included is specified by
-// the gtest_stack_trace_depth flag.  The skip_count parameter
-// specifies the number of top frames to be skipped, which doesn't
-// count against the number of frames to be included.
-//
-// For example, if Foo() calls Bar(), which in turn calls
-// GetCurrentOsStackTraceExceptTop(..., 1), Foo() will be included in
-// the trace but Bar() and GetCurrentOsStackTraceExceptTop() won't.
-std::string GetCurrentOsStackTraceExceptTop(UnitTest* /*unit_test*/,
-                                            int skip_count) {
-  // We pass skip_count + 1 to skip this wrapper function in addition
-  // to what the user really wants to skip.
-  return GetUnitTestImpl()->CurrentOsStackTraceExceptTop(skip_count + 1);
-}
-
-// Used by the GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_ macro to
-// suppress unreachable code warnings.
-namespace {
-class ClassUniqueToAlwaysTrue {};
-}
-
-bool IsTrue(bool condition) { return condition; }
-
-bool AlwaysTrue() {
-#if GTEST_HAS_EXCEPTIONS
-  // This condition is always false so AlwaysTrue() never actually throws,
-  // but it makes the compiler think that it may throw.
-  if (IsTrue(false))
-    throw ClassUniqueToAlwaysTrue();
-#endif  // GTEST_HAS_EXCEPTIONS
-  return true;
-}
-
-// If *pstr starts with the given prefix, modifies *pstr to be right
-// past the prefix and returns true; otherwise leaves *pstr unchanged
-// and returns false.  None of pstr, *pstr, and prefix can be NULL.
-bool SkipPrefix(const char* prefix, const char** pstr) {
-  const size_t prefix_len = strlen(prefix);
-  if (strncmp(*pstr, prefix, prefix_len) == 0) {
-    *pstr += prefix_len;
-    return true;
-  }
-  return false;
-}
-
-// Parses a string as a command line flag.  The string should have
-// the format "--flag=value".  When def_optional is true, the "=value"
-// part can be omitted.
-//
-// Returns the value of the flag, or NULL if the parsing failed.
-const char* ParseFlagValue(const char* str,
-                           const char* flag,
-                           bool def_optional) {
-  // str and flag must not be NULL.
-  if (str == NULL || flag == NULL) return NULL;
-
-  // The flag must start with "--" followed by GTEST_FLAG_PREFIX_.
-  const std::string flag_str = std::string("--") + GTEST_FLAG_PREFIX_ + flag;
-  const size_t flag_len = flag_str.length();
-  if (strncmp(str, flag_str.c_str(), flag_len) != 0) return NULL;
-
-  // Skips the flag name.
-  const char* flag_end = str + flag_len;
-
-  // When def_optional is true, it's OK to not have a "=value" part.
-  if (def_optional && (flag_end[0] == '\0')) {
-    return flag_end;
-  }
-
-  // If def_optional is true and there are more characters after the
-  // flag name, or if def_optional is false, there must be a '=' after
-  // the flag name.
-  if (flag_end[0] != '=') return NULL;
-
-  // Returns the string after "=".
-  return flag_end + 1;
-}
-
-// Parses a string for a bool flag, in the form of either
-// "--flag=value" or "--flag".
-//
-// In the former case, the value is taken as true as long as it does
-// not start with '0', 'f', or 'F'.
-//
-// In the latter case, the value is taken as true.
-//
-// On success, stores the value of the flag in *value, and returns
-// true.  On failure, returns false without changing *value.
-bool ParseBoolFlag(const char* str, const char* flag, bool* value) {
-  // Gets the value of the flag as a string.
-  const char* const value_str = ParseFlagValue(str, flag, true);
-
-  // Aborts if the parsing failed.
-  if (value_str == NULL) return false;
-
-  // Converts the string value to a bool.
-  *value = !(*value_str == '0' || *value_str == 'f' || *value_str == 'F');
-  return true;
-}
-
-// Parses a string for an Int32 flag, in the form of
-// "--flag=value".
-//
-// On success, stores the value of the flag in *value, and returns
-// true.  On failure, returns false without changing *value.
-bool ParseInt32Flag(const char* str, const char* flag, Int32* value) {
-  // Gets the value of the flag as a string.
-  const char* const value_str = ParseFlagValue(str, flag, false);
-
-  // Aborts if the parsing failed.
-  if (value_str == NULL) return false;
-
-  // Sets *value to the value of the flag.
-  return ParseInt32(Message() << "The value of flag --" << flag,
-                    value_str, value);
-}
-
-// Parses a string for a string flag, in the form of
-// "--flag=value".
-//
-// On success, stores the value of the flag in *value, and returns
-// true.  On failure, returns false without changing *value.
-bool ParseStringFlag(const char* str, const char* flag, std::string* value) {
-  // Gets the value of the flag as a string.
-  const char* const value_str = ParseFlagValue(str, flag, false);
-
-  // Aborts if the parsing failed.
-  if (value_str == NULL) return false;
-
-  // Sets *value to the value of the flag.
-  *value = value_str;
-  return true;
-}
-
-// Determines whether a string has a prefix that Google Test uses for its
-// flags, i.e., starts with GTEST_FLAG_PREFIX_ or GTEST_FLAG_PREFIX_DASH_.
-// If Google Test detects that a command line flag has its prefix but is not
-// recognized, it will print its help message. Flags starting with
-// GTEST_INTERNAL_PREFIX_ followed by "internal_" are considered Google Test
-// internal flags and do not trigger the help message.
-static bool HasGoogleTestFlagPrefix(const char* str) {
-  return (SkipPrefix("--", &str) ||
-          SkipPrefix("-", &str) ||
-          SkipPrefix("/", &str)) &&
-         !SkipPrefix(GTEST_FLAG_PREFIX_ "internal_", &str) &&
-         (SkipPrefix(GTEST_FLAG_PREFIX_, &str) ||
-          SkipPrefix(GTEST_FLAG_PREFIX_DASH_, &str));
-}
-
-// Prints a string containing code-encoded text.  The following escape
-// sequences can be used in the string to control the text color:
-//
-//   @@    prints a single '@' character.
-//   @R    changes the color to red.
-//   @G    changes the color to green.
-//   @Y    changes the color to yellow.
-//   @D    changes to the default terminal text color.
-//
-// TODO(wan@google.com): Write tests for this once we add stdout
-// capturing to Google Test.
-static void PrintColorEncoded(const char* str) {
-  GTestColor color = COLOR_DEFAULT;  // The current color.
-
-  // Conceptually, we split the string into segments divided by escape
-  // sequences.  Then we print one segment at a time.  At the end of
-  // each iteration, the str pointer advances to the beginning of the
-  // next segment.
-  for (;;) {
-    const char* p = strchr(str, '@');
-    if (p == NULL) {
-      ColoredPrintf(color, "%s", str);
-      return;
-    }
-
-    ColoredPrintf(color, "%s", std::string(str, p).c_str());
-
-    const char ch = p[1];
-    str = p + 2;
-    if (ch == '@') {
-      ColoredPrintf(color, "@");
-    } else if (ch == 'D') {
-      color = COLOR_DEFAULT;
-    } else if (ch == 'R') {
-      color = COLOR_RED;
-    } else if (ch == 'G') {
-      color = COLOR_GREEN;
-    } else if (ch == 'Y') {
-      color = COLOR_YELLOW;
-    } else {
-      --str;
-    }
-  }
-}
-
-static const char kColorEncodedHelpMessage[] =
-"This program contains tests written using " GTEST_NAME_ ". You can use the\n"
-"following command line flags to control its behavior:\n"
-"\n"
-"Test Selection:\n"
-"  @G--" GTEST_FLAG_PREFIX_ "list_tests@D\n"
-"      List the names of all tests instead of running them. The name of\n"
-"      TEST(Foo, Bar) is \"Foo.Bar\".\n"
-"  @G--" GTEST_FLAG_PREFIX_ "filter=@YPOSTIVE_PATTERNS"
-    "[@G-@YNEGATIVE_PATTERNS]@D\n"
-"      Run only the tests whose name matches one of the positive patterns but\n"
-"      none of the negative patterns. '?' matches any single character; '*'\n"
-"      matches any substring; ':' separates two patterns.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "also_run_disabled_tests@D\n"
-"      Run all disabled tests too.\n"
-"\n"
-"Test Execution:\n"
-"  @G--" GTEST_FLAG_PREFIX_ "repeat=@Y[COUNT]@D\n"
-"      Run the tests repeatedly; use a negative count to repeat forever.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "shuffle@D\n"
-"      Randomize tests' orders on every iteration.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "random_seed=@Y[NUMBER]@D\n"
-"      Random number seed to use for shuffling test orders (between 1 and\n"
-"      99999, or 0 to use a seed based on the current time).\n"
-"\n"
-"Test Output:\n"
-"  @G--" GTEST_FLAG_PREFIX_ "color=@Y(@Gyes@Y|@Gno@Y|@Gauto@Y)@D\n"
-"      Enable/disable colored output. The default is @Gauto@D.\n"
-"  -@G-" GTEST_FLAG_PREFIX_ "print_time=0@D\n"
-"      Don't print the elapsed time of each test.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "output=xml@Y[@G:@YDIRECTORY_PATH@G"
-    GTEST_PATH_SEP_ "@Y|@G:@YFILE_PATH]@D\n"
-"      Generate an XML report in the given directory or with the given file\n"
-"      name. @YFILE_PATH@D defaults to @Gtest_details.xml@D.\n"
-#if GTEST_CAN_STREAM_RESULTS_
-"  @G--" GTEST_FLAG_PREFIX_ "stream_result_to=@YHOST@G:@YPORT@D\n"
-"      Stream test results to the given server.\n"
-#endif  // GTEST_CAN_STREAM_RESULTS_
-"\n"
-"Assertion Behavior:\n"
-#if GTEST_HAS_DEATH_TEST && !GTEST_OS_WINDOWS
-"  @G--" GTEST_FLAG_PREFIX_ "death_test_style=@Y(@Gfast@Y|@Gthreadsafe@Y)@D\n"
-"      Set the default death test style.\n"
-#endif  // GTEST_HAS_DEATH_TEST && !GTEST_OS_WINDOWS
-"  @G--" GTEST_FLAG_PREFIX_ "break_on_failure@D\n"
-"      Turn assertion failures into debugger break-points.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "throw_on_failure@D\n"
-"      Turn assertion failures into C++ exceptions.\n"
-"  @G--" GTEST_FLAG_PREFIX_ "catch_exceptions=0@D\n"
-"      Do not report exceptions as test failures. Instead, allow them\n"
-"      to crash the program or throw a pop-up (on Windows).\n"
-"\n"
-"Except for @G--" GTEST_FLAG_PREFIX_ "list_tests@D, you can alternatively set "
-    "the corresponding\n"
-"environment variable of a flag (all letters in upper-case). For example, to\n"
-"disable colored text output, you can either specify @G--" GTEST_FLAG_PREFIX_
-    "color=no@D or set\n"
-"the @G" GTEST_FLAG_PREFIX_UPPER_ "COLOR@D environment variable to @Gno@D.\n"
-"\n"
-"For more information, please read the " GTEST_NAME_ " documentation at\n"
-"@G" GTEST_PROJECT_URL_ "@D. If you find a bug in " GTEST_NAME_ "\n"
-"(not one in your own code or tests), please report it to\n"
-"@G<" GTEST_DEV_EMAIL_ ">@D.\n";
-
-// Parses the command line for Google Test flags, without initializing
-// other parts of Google Test.  The type parameter CharType can be
-// instantiated to either char or wchar_t.
-template <typename CharType>
-void ParseGoogleTestFlagsOnlyImpl(int* argc, CharType** argv) {
-  for (int i = 1; i < *argc; i++) {
-    const std::string arg_string = StreamableToString(argv[i]);
-    const char* const arg = arg_string.c_str();
-
-    using internal::ParseBoolFlag;
-    using internal::ParseInt32Flag;
-    using internal::ParseStringFlag;
-
-    // Do we see a Google Test flag?
-    if (ParseBoolFlag(arg, kAlsoRunDisabledTestsFlag,
-                      &GTEST_FLAG(also_run_disabled_tests)) ||
-        ParseBoolFlag(arg, kBreakOnFailureFlag,
-                      &GTEST_FLAG(break_on_failure)) ||
-        ParseBoolFlag(arg, kCatchExceptionsFlag,
-                      &GTEST_FLAG(catch_exceptions)) ||
-        ParseStringFlag(arg, kColorFlag, &GTEST_FLAG(color)) ||
-        ParseStringFlag(arg, kDeathTestStyleFlag,
-                        &GTEST_FLAG(death_test_style)) ||
-        ParseBoolFlag(arg, kDeathTestUseFork,
-                      &GTEST_FLAG(death_test_use_fork)) ||
-        ParseStringFlag(arg, kFilterFlag, &GTEST_FLAG(filter)) ||
-        ParseStringFlag(arg, kInternalRunDeathTestFlag,
-                        &GTEST_FLAG(internal_run_death_test)) ||
-        ParseBoolFlag(arg, kListTestsFlag, &GTEST_FLAG(list_tests)) ||
-        ParseStringFlag(arg, kOutputFlag, &GTEST_FLAG(output)) ||
-        ParseBoolFlag(arg, kPrintTimeFlag, &GTEST_FLAG(print_time)) ||
-        ParseInt32Flag(arg, kRandomSeedFlag, &GTEST_FLAG(random_seed)) ||
-        ParseInt32Flag(arg, kRepeatFlag, &GTEST_FLAG(repeat)) ||
-        ParseBoolFlag(arg, kShuffleFlag, &GTEST_FLAG(shuffle)) ||
-        ParseInt32Flag(arg, kStackTraceDepthFlag,
-                       &GTEST_FLAG(stack_trace_depth)) ||
-        ParseStringFlag(arg, kStreamResultToFlag,
-                        &GTEST_FLAG(stream_result_to)) ||
-        ParseBoolFlag(arg, kThrowOnFailureFlag,
-                      &GTEST_FLAG(throw_on_failure))
-        ) {
-      // Yes.  Shift the remainder of the argv list left by one.  Note
-      // that argv has (*argc + 1) elements, the last one always being
-      // NULL.  The following loop moves the trailing NULL element as
-      // well.
-      for (int j = i; j != *argc; j++) {
-        argv[j] = argv[j + 1];
-      }
-
-      // Decrements the argument count.
-      (*argc)--;
-
-      // We also need to decrement the iterator as we just removed
-      // an element.
-      i--;
-    } else if (arg_string == "--help" || arg_string == "-h" ||
-               arg_string == "-?" || arg_string == "/?" ||
-               HasGoogleTestFlagPrefix(arg)) {
-      // Both help flag and unrecognized Google Test flags (excluding
-      // internal ones) trigger help display.
-      g_help_flag = true;
-    }
-  }
-
-  if (g_help_flag) {
-    // We print the help here instead of in RUN_ALL_TESTS(), as the
-    // latter may not be called at all if the user is using Google
-    // Test with another testing framework.
-    PrintColorEncoded(kColorEncodedHelpMessage);
-  }
-}
-
-// Parses the command line for Google Test flags, without initializing
-// other parts of Google Test.
-void ParseGoogleTestFlagsOnly(int* argc, char** argv) {
-  ParseGoogleTestFlagsOnlyImpl(argc, argv);
-}
-void ParseGoogleTestFlagsOnly(int* argc, wchar_t** argv) {
-  ParseGoogleTestFlagsOnlyImpl(argc, argv);
-}
-
-// The internal implementation of InitGoogleTest().
-//
-// The type parameter CharType can be instantiated to either char or
-// wchar_t.
-template <typename CharType>
-void InitGoogleTestImpl(int* argc, CharType** argv) {
-  g_init_gtest_count++;
-
-  // We don't want to run the initialization code twice.
-  if (g_init_gtest_count != 1) return;
-
-  if (*argc <= 0) return;
-
-  internal::g_executable_path = internal::StreamableToString(argv[0]);
-
-#if GTEST_HAS_DEATH_TEST
-
-  g_argvs.clear();
-  for (int i = 0; i != *argc; i++) {
-    g_argvs.push_back(StreamableToString(argv[i]));
-  }
-
-#endif  // GTEST_HAS_DEATH_TEST
-
-  ParseGoogleTestFlagsOnly(argc, argv);
-  GetUnitTestImpl()->PostFlagParsingInit();
-}
-
-}  // namespace internal
-
-// Initializes Google Test.  This must be called before calling
-// RUN_ALL_TESTS().  In particular, it parses a command line for the
-// flags that Google Test recognizes.  Whenever a Google Test flag is
-// seen, it is removed from argv, and *argc is decremented.
-//
-// No value is returned.  Instead, the Google Test flag variables are
-// updated.
-//
-// Calling the function for the second time has no user-visible effect.
-void InitGoogleTest(int* argc, char** argv) {
-  internal::InitGoogleTestImpl(argc, argv);
-}
-
-// This overloaded version can be used in Windows programs compiled in
-// UNICODE mode.
-void InitGoogleTest(int* argc, wchar_t** argv) {
-  internal::InitGoogleTestImpl(argc, argv);
-}
-
-}  // namespace testing
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan), vladl@google.com (Vlad Losev)
-//
-// This file implements death tests.
-
-
-#if GTEST_HAS_DEATH_TEST
-
-# if GTEST_OS_MAC
-#  include <crt_externs.h>
-# endif  // GTEST_OS_MAC
-
-# include <errno.h>
-# include <fcntl.h>
-# include <limits.h>
-
-# if GTEST_OS_LINUX
-#  include <signal.h>
-# endif  // GTEST_OS_LINUX
-
-# include <stdarg.h>
-
-# if GTEST_OS_WINDOWS
-#  include <windows.h>
-# else
-#  include <sys/mman.h>
-#  include <sys/wait.h>
-# endif  // GTEST_OS_WINDOWS
-
-# if GTEST_OS_QNX
-#  include <spawn.h>
-# endif  // GTEST_OS_QNX
-
-#endif  // GTEST_HAS_DEATH_TEST
-
-
-// Indicates that this translation unit is part of Google Test's
-// implementation.  It must come before gtest-internal-inl.h is
-// included, or there will be a compiler error.  This trick is to
-// prevent a user from accidentally including gtest-internal-inl.h in
-// his code.
-#define GTEST_IMPLEMENTATION_ 1
-#undef GTEST_IMPLEMENTATION_
-
-namespace testing {
-
-// Constants.
-
-// The default death test style.
-static const char kDefaultDeathTestStyle[] = "fast";
-
-GTEST_DEFINE_string_(
-    death_test_style,
-    internal::StringFromGTestEnv("death_test_style", kDefaultDeathTestStyle),
-    "Indicates how to run a death test in a forked child process: "
-    "\"threadsafe\" (child process re-executes the test binary "
-    "from the beginning, running only the specific death test) or "
-    "\"fast\" (child process runs the death test immediately "
-    "after forking).");
-
-GTEST_DEFINE_bool_(
-    death_test_use_fork,
-    internal::BoolFromGTestEnv("death_test_use_fork", false),
-    "Instructs to use fork()/_exit() instead of clone() in death tests. "
-    "Ignored and always uses fork() on POSIX systems where clone() is not "
-    "implemented. Useful when running under valgrind or similar tools if "
-    "those do not support clone(). Valgrind 3.3.1 will just fail if "
-    "it sees an unsupported combination of clone() flags. "
-    "It is not recommended to use this flag w/o valgrind though it will "
-    "work in 99% of the cases. Once valgrind is fixed, this flag will "
-    "most likely be removed.");
-
-namespace internal {
-GTEST_DEFINE_string_(
-    internal_run_death_test, "",
-    "Indicates the file, line number, temporal index of "
-    "the single death test to run, and a file descriptor to "
-    "which a success code may be sent, all separated by "
-    "the '|' characters.  This flag is specified if and only if the current "
-    "process is a sub-process launched for running a thread-safe "
-    "death test.  FOR INTERNAL USE ONLY.");
-}  // namespace internal
-
-#if GTEST_HAS_DEATH_TEST
-
-namespace internal {
-
-// Valid only for fast death tests. Indicates the code is running in the
-// child process of a fast style death test.
-static bool g_in_fast_death_test_child = false;
-
-// Returns a Boolean value indicating whether the caller is currently
-// executing in the context of the death test child process.  Tools such as
-// Valgrind heap checkers may need this to modify their behavior in death
-// tests.  IMPORTANT: This is an internal utility.  Using it may break the
-// implementation of death tests.  User code MUST NOT use it.
-bool InDeathTestChild() {
-# if GTEST_OS_WINDOWS
-
-  // On Windows, death tests are thread-safe regardless of the value of the
-  // death_test_style flag.
-  return !GTEST_FLAG(internal_run_death_test).empty();
-
-# else
-
-  if (GTEST_FLAG(death_test_style) == "threadsafe")
-    return !GTEST_FLAG(internal_run_death_test).empty();
-  else
-    return g_in_fast_death_test_child;
-#endif
-}
-
-}  // namespace internal
-
-// ExitedWithCode constructor.
-ExitedWithCode::ExitedWithCode(int exit_code) : exit_code_(exit_code) {
-}
-
-// ExitedWithCode function-call operator.
-bool ExitedWithCode::operator()(int exit_status) const {
-# if GTEST_OS_WINDOWS
-
-  return exit_status == exit_code_;
-
-# else
-
-  return WIFEXITED(exit_status) && WEXITSTATUS(exit_status) == exit_code_;
-
-# endif  // GTEST_OS_WINDOWS
-}
-
-# if !GTEST_OS_WINDOWS
-// KilledBySignal constructor.
-KilledBySignal::KilledBySignal(int signum) : signum_(signum) {
-}
-
-// KilledBySignal function-call operator.
-bool KilledBySignal::operator()(int exit_status) const {
-  return WIFSIGNALED(exit_status) && WTERMSIG(exit_status) == signum_;
-}
-# endif  // !GTEST_OS_WINDOWS
-
-namespace internal {
-
-// Utilities needed for death tests.
-
-// Generates a textual description of a given exit code, in the format
-// specified by wait(2).
-static std::string ExitSummary(int exit_code) {
-  Message m;
-
-# if GTEST_OS_WINDOWS
-
-  m << "Exited with exit status " << exit_code;
-
-# else
-
-  if (WIFEXITED(exit_code)) {
-    m << "Exited with exit status " << WEXITSTATUS(exit_code);
-  } else if (WIFSIGNALED(exit_code)) {
-    m << "Terminated by signal " << WTERMSIG(exit_code);
-  }
-#  ifdef WCOREDUMP
-  if (WCOREDUMP(exit_code)) {
-    m << " (core dumped)";
-  }
-#  endif
-# endif  // GTEST_OS_WINDOWS
-
-  return m.GetString();
-}
-
-// Returns true if exit_status describes a process that was terminated
-// by a signal, or exited normally with a nonzero exit code.
-bool ExitedUnsuccessfully(int exit_status) {
-  return !ExitedWithCode(0)(exit_status);
-}
-
-# if !GTEST_OS_WINDOWS
-// Generates a textual failure message when a death test finds more than
-// one thread running, or cannot determine the number of threads, prior
-// to executing the given statement.  It is the responsibility of the
-// caller not to pass a thread_count of 1.
-static std::string DeathTestThreadWarning(size_t thread_count) {
-  Message msg;
-  msg << "Death tests use fork(), which is unsafe particularly"
-      << " in a threaded context. For this test, " << GTEST_NAME_ << " ";
-  if (thread_count == 0)
-    msg << "couldn't detect the number of threads.";
-  else
-    msg << "detected " << thread_count << " threads.";
-  return msg.GetString();
-}
-# endif  // !GTEST_OS_WINDOWS
-
-// Flag characters for reporting a death test that did not die.
-static const char kDeathTestLived = 'L';
-static const char kDeathTestReturned = 'R';
-static const char kDeathTestThrew = 'T';
-static const char kDeathTestInternalError = 'I';
-
-// An enumeration describing all of the possible ways that a death test can
-// conclude.  DIED means that the process died while executing the test
-// code; LIVED means that process lived beyond the end of the test code;
-// RETURNED means that the test statement attempted to execute a return
-// statement, which is not allowed; THREW means that the test statement
-// returned control by throwing an exception.  IN_PROGRESS means the test
-// has not yet concluded.
-// TODO(vladl@google.com): Unify names and possibly values for
-// AbortReason, DeathTestOutcome, and flag characters above.
-enum DeathTestOutcome { IN_PROGRESS, DIED, LIVED, RETURNED, THREW };
-
-// Routine for aborting the program which is safe to call from an
-// exec-style death test child process, in which case the error
-// message is propagated back to the parent process.  Otherwise, the
-// message is simply printed to stderr.  In either case, the program
-// then exits with status 1.
-void DeathTestAbort(const std::string& message) {
-  // On a POSIX system, this function may be called from a threadsafe-style
-  // death test child process, which operates on a very small stack.  Use
-  // the heap for any additional non-minuscule memory requirements.
-  const InternalRunDeathTestFlag* const flag =
-      GetUnitTestImpl()->internal_run_death_test_flag();
-  if (flag != NULL) {
-    FILE* parent = posix::FDOpen(flag->write_fd(), "w");
-    fputc(kDeathTestInternalError, parent);
-    fprintf(parent, "%s", message.c_str());
-    fflush(parent);
-    _exit(1);
-  } else {
-    fprintf(stderr, "%s", message.c_str());
-    fflush(stderr);
-    posix::Abort();
-  }
-}
-
-// A replacement for CHECK that calls DeathTestAbort if the assertion
-// fails.
-# define GTEST_DEATH_TEST_CHECK_(expression) \
-  do { \
-    if (!::testing::internal::IsTrue(expression)) { \
-      DeathTestAbort( \
-          ::std::string("CHECK failed: File ") + __FILE__ +  ", line " \
-          + ::testing::internal::StreamableToString(__LINE__) + ": " \
-          + #expression); \
-    } \
-  } while (::testing::internal::AlwaysFalse())
-
-// This macro is similar to GTEST_DEATH_TEST_CHECK_, but it is meant for
-// evaluating any system call that fulfills two conditions: it must return
-// -1 on failure, and set errno to EINTR when it is interrupted and
-// should be tried again.  The macro expands to a loop that repeatedly
-// evaluates the expression as long as it evaluates to -1 and sets
-// errno to EINTR.  If the expression evaluates to -1 but errno is
-// something other than EINTR, DeathTestAbort is called.
-# define GTEST_DEATH_TEST_CHECK_SYSCALL_(expression) \
-  do { \
-    int gtest_retval; \
-    do { \
-      gtest_retval = (expression); \
-    } while (gtest_retval == -1 && errno == EINTR); \
-    if (gtest_retval == -1) { \
-      DeathTestAbort( \
-          ::std::string("CHECK failed: File ") + __FILE__ + ", line " \
-          + ::testing::internal::StreamableToString(__LINE__) + ": " \
-          + #expression + " != -1"); \
-    } \
-  } while (::testing::internal::AlwaysFalse())
-
-// Returns the message describing the last system error in errno.
-std::string GetLastErrnoDescription() {
-    return errno == 0 ? "" : posix::StrError(errno);
-}
-
-// This is called from a death test parent process to read a failure
-// message from the death test child process and log it with the FATAL
-// severity. On Windows, the message is read from a pipe handle. On other
-// platforms, it is read from a file descriptor.
-static void FailFromInternalError(int fd) {
-  Message error;
-  char buffer[256];
-  int num_read;
-
-  do {
-    while ((num_read = posix::Read(fd, buffer, 255)) > 0) {
-      buffer[num_read] = '\0';
-      error << buffer;
-    }
-  } while (num_read == -1 && errno == EINTR);
-
-  if (num_read == 0) {
-    GTEST_LOG_(FATAL) << error.GetString();
-  } else {
-    const int last_error = errno;
-    GTEST_LOG_(FATAL) << "Error while reading death test internal: "
-                      << GetLastErrnoDescription() << " [" << last_error << "]";
-  }
-}
-
-// Death test constructor.  Increments the running death test count
-// for the current test.
-DeathTest::DeathTest() {
-  TestInfo* const info = GetUnitTestImpl()->current_test_info();
-  if (info == NULL) {
-    DeathTestAbort("Cannot run a death test outside of a TEST or "
-                   "TEST_F construct");
-  }
-}
-
-// Creates and returns a death test by dispatching to the current
-// death test factory.
-bool DeathTest::Create(const char* statement, const RE* regex,
-                       const char* file, int line, DeathTest** test) {
-  return GetUnitTestImpl()->death_test_factory()->Create(
-      statement, regex, file, line, test);
-}
-
-const char* DeathTest::LastMessage() {
-  return last_death_test_message_.c_str();
-}
-
-void DeathTest::set_last_death_test_message(const std::string& message) {
-  last_death_test_message_ = message;
-}
-
-std::string DeathTest::last_death_test_message_;
-
-// Provides cross platform implementation for some death functionality.
-class DeathTestImpl : public DeathTest {
- protected:
-  DeathTestImpl(const char* a_statement, const RE* a_regex)
-      : statement_(a_statement),
-        regex_(a_regex),
-        spawned_(false),
-        status_(-1),
-        outcome_(IN_PROGRESS),
-        read_fd_(-1),
-        write_fd_(-1) {}
-
-  // read_fd_ is expected to be closed and cleared by a derived class.
-  ~DeathTestImpl() { GTEST_DEATH_TEST_CHECK_(read_fd_ == -1); }
-
-  void Abort(AbortReason reason);
-  virtual bool Passed(bool status_ok);
-
-  const char* statement() const { return statement_; }
-  const RE* regex() const { return regex_; }
-  bool spawned() const { return spawned_; }
-  void set_spawned(bool is_spawned) { spawned_ = is_spawned; }
-  int status() const { return status_; }
-  void set_status(int a_status) { status_ = a_status; }
-  DeathTestOutcome outcome() const { return outcome_; }
-  void set_outcome(DeathTestOutcome an_outcome) { outcome_ = an_outcome; }
-  int read_fd() const { return read_fd_; }
-  void set_read_fd(int fd) { read_fd_ = fd; }
-  int write_fd() const { return write_fd_; }
-  void set_write_fd(int fd) { write_fd_ = fd; }
-
-  // Called in the parent process only. Reads the result code of the death
-  // test child process via a pipe, interprets it to set the outcome_
-  // member, and closes read_fd_.  Outputs diagnostics and terminates in
-  // case of unexpected codes.
-  void ReadAndInterpretStatusByte();
-
- private:
-  // The textual content of the code this object is testing.  This class
-  // doesn't own this string and should not attempt to delete it.
-  const char* const statement_;
-  // The regular expression which test output must match.  DeathTestImpl
-  // doesn't own this object and should not attempt to delete it.
-  const RE* const regex_;
-  // True if the death test child process has been successfully spawned.
-  bool spawned_;
-  // The exit status of the child process.
-  int status_;
-  // How the death test concluded.
-  DeathTestOutcome outcome_;
-  // Descriptor to the read end of the pipe to the child process.  It is
-  // always -1 in the child process.  The child keeps its write end of the
-  // pipe in write_fd_.
-  int read_fd_;
-  // Descriptor to the child's write end of the pipe to the parent process.
-  // It is always -1 in the parent process.  The parent keeps its end of the
-  // pipe in read_fd_.
-  int write_fd_;
-};
-
-// Called in the parent process only. Reads the result code of the death
-// test child process via a pipe, interprets it to set the outcome_
-// member, and closes read_fd_.  Outputs diagnostics and terminates in
-// case of unexpected codes.
-void DeathTestImpl::ReadAndInterpretStatusByte() {
-  char flag;
-  int bytes_read;
-
-  // The read() here blocks until data is available (signifying the
-  // failure of the death test) or until the pipe is closed (signifying
-  // its success), so it's okay to call this in the parent before
-  // the child process has exited.
-  do {
-    bytes_read = posix::Read(read_fd(), &flag, 1);
-  } while (bytes_read == -1 && errno == EINTR);
-
-  if (bytes_read == 0) {
-    set_outcome(DIED);
-  } else if (bytes_read == 1) {
-    switch (flag) {
-      case kDeathTestReturned:
-        set_outcome(RETURNED);
-        break;
-      case kDeathTestThrew:
-        set_outcome(THREW);
-        break;
-      case kDeathTestLived:
-        set_outcome(LIVED);
-        break;
-      case kDeathTestInternalError:
-        FailFromInternalError(read_fd());  // Does not return.
-        break;
-      default:
-        GTEST_LOG_(FATAL) << "Death test child process reported "
-                          << "unexpected status byte ("
-                          << static_cast<unsigned int>(flag) << ")";
-    }
-  } else {
-    GTEST_LOG_(FATAL) << "Read from death test child process failed: "
-                      << GetLastErrnoDescription();
-  }
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(posix::Close(read_fd()));
-  set_read_fd(-1);
-}
-
-// Signals that the death test code which should have exited, didn't.
-// Should be called only in a death test child process.
-// Writes a status byte to the child's status file descriptor, then
-// calls _exit(1).
-void DeathTestImpl::Abort(AbortReason reason) {
-  // The parent process considers the death test to be a failure if
-  // it finds any data in our pipe.  So, here we write a single flag byte
-  // to the pipe, then exit.
-  const char status_ch =
-      reason == TEST_DID_NOT_DIE ? kDeathTestLived :
-      reason == TEST_THREW_EXCEPTION ? kDeathTestThrew : kDeathTestReturned;
-
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(posix::Write(write_fd(), &status_ch, 1));
-  // We are leaking the descriptor here because on some platforms (i.e.,
-  // when built as Windows DLL), destructors of global objects will still
-  // run after calling _exit(). On such systems, write_fd_ will be
-  // indirectly closed from the destructor of UnitTestImpl, causing double
-  // close if it is also closed here. On debug configurations, double close
-  // may assert. As there are no in-process buffers to flush here, we are
-  // relying on the OS to close the descriptor after the process terminates
-  // when the destructors are not run.
-  _exit(1);  // Exits w/o any normal exit hooks (we were supposed to crash)
-}
-
-// Returns an indented copy of stderr output for a death test.
-// This makes distinguishing death test output lines from regular log lines
-// much easier.
-static ::std::string FormatDeathTestOutput(const ::std::string& output) {
-  ::std::string ret;
-  for (size_t at = 0; ; ) {
-    const size_t line_end = output.find('\n', at);
-    ret += "[  DEATH   ] ";
-    if (line_end == ::std::string::npos) {
-      ret += output.substr(at);
-      break;
-    }
-    ret += output.substr(at, line_end + 1 - at);
-    at = line_end + 1;
-  }
-  return ret;
-}
-
-// Assesses the success or failure of a death test, using both private
-// members which have previously been set, and one argument:
-//
-// Private data members:
-//   outcome:  An enumeration describing how the death test
-//             concluded: DIED, LIVED, THREW, or RETURNED.  The death test
-//             fails in the latter three cases.
-//   status:   The exit status of the child process. On *nix, it is in the
-//             in the format specified by wait(2). On Windows, this is the
-//             value supplied to the ExitProcess() API or a numeric code
-//             of the exception that terminated the program.
-//   regex:    A regular expression object to be applied to
-//             the test's captured standard error output; the death test
-//             fails if it does not match.
-//
-// Argument:
-//   status_ok: true if exit_status is acceptable in the context of
-//              this particular death test, which fails if it is false
-//
-// Returns true iff all of the above conditions are met.  Otherwise, the
-// first failing condition, in the order given above, is the one that is
-// reported. Also sets the last death test message string.
-bool DeathTestImpl::Passed(bool status_ok) {
-  if (!spawned())
-    return false;
-
-  const std::string error_message = GetCapturedStderr();
-
-  bool success = false;
-  Message buffer;
-
-  buffer << "Death test: " << statement() << "\n";
-  switch (outcome()) {
-    case LIVED:
-      buffer << "    Result: failed to die.\n"
-             << " Error msg:\n" << FormatDeathTestOutput(error_message);
-      break;
-    case THREW:
-      buffer << "    Result: threw an exception.\n"
-             << " Error msg:\n" << FormatDeathTestOutput(error_message);
-      break;
-    case RETURNED:
-      buffer << "    Result: illegal return in test statement.\n"
-             << " Error msg:\n" << FormatDeathTestOutput(error_message);
-      break;
-    case DIED:
-      if (status_ok) {
-        const bool matched = RE::PartialMatch(error_message.c_str(), *regex());
-        if (matched) {
-          success = true;
-        } else {
-          buffer << "    Result: died but not with expected error.\n"
-                 << "  Expected: " << regex()->pattern() << "\n"
-                 << "Actual msg:\n" << FormatDeathTestOutput(error_message);
-        }
-      } else {
-        buffer << "    Result: died but not with expected exit code:\n"
-               << "            " << ExitSummary(status()) << "\n"
-               << "Actual msg:\n" << FormatDeathTestOutput(error_message);
-      }
-      break;
-    case IN_PROGRESS:
-    default:
-      GTEST_LOG_(FATAL)
-          << "DeathTest::Passed somehow called before conclusion of test";
-  }
-
-  DeathTest::set_last_death_test_message(buffer.GetString());
-  return success;
-}
-
-# if GTEST_OS_WINDOWS
-// WindowsDeathTest implements death tests on Windows. Due to the
-// specifics of starting new processes on Windows, death tests there are
-// always threadsafe, and Google Test considers the
-// --gtest_death_test_style=fast setting to be equivalent to
-// --gtest_death_test_style=threadsafe there.
-//
-// A few implementation notes:  Like the Linux version, the Windows
-// implementation uses pipes for child-to-parent communication. But due to
-// the specifics of pipes on Windows, some extra steps are required:
-//
-// 1. The parent creates a communication pipe and stores handles to both
-//    ends of it.
-// 2. The parent starts the child and provides it with the information
-//    necessary to acquire the handle to the write end of the pipe.
-// 3. The child acquires the write end of the pipe and signals the parent
-//    using a Windows event.
-// 4. Now the parent can release the write end of the pipe on its side. If
-//    this is done before step 3, the object's reference count goes down to
-//    0 and it is destroyed, preventing the child from acquiring it. The
-//    parent now has to release it, or read operations on the read end of
-//    the pipe will not return when the child terminates.
-// 5. The parent reads child's output through the pipe (outcome code and
-//    any possible error messages) from the pipe, and its stderr and then
-//    determines whether to fail the test.
-//
-// Note: to distinguish Win32 API calls from the local method and function
-// calls, the former are explicitly resolved in the global namespace.
-//
-class WindowsDeathTest : public DeathTestImpl {
- public:
-  WindowsDeathTest(const char* a_statement,
-                   const RE* a_regex,
-                   const char* file,
-                   int line)
-      : DeathTestImpl(a_statement, a_regex), file_(file), line_(line) {}
-
-  // All of these virtual functions are inherited from DeathTest.
-  virtual int Wait();
-  virtual TestRole AssumeRole();
-
- private:
-  // The name of the file in which the death test is located.
-  const char* const file_;
-  // The line number on which the death test is located.
-  const int line_;
-  // Handle to the write end of the pipe to the child process.
-  AutoHandle write_handle_;
-  // Child process handle.
-  AutoHandle child_handle_;
-  // Event the child process uses to signal the parent that it has
-  // acquired the handle to the write end of the pipe. After seeing this
-  // event the parent can release its own handles to make sure its
-  // ReadFile() calls return when the child terminates.
-  AutoHandle event_handle_;
-};
-
-// Waits for the child in a death test to exit, returning its exit
-// status, or 0 if no child process exists.  As a side effect, sets the
-// outcome data member.
-int WindowsDeathTest::Wait() {
-  if (!spawned())
-    return 0;
-
-  // Wait until the child either signals that it has acquired the write end
-  // of the pipe or it dies.
-  const HANDLE wait_handles[2] = { child_handle_.Get(), event_handle_.Get() };
-  switch (::WaitForMultipleObjects(2,
-                                   wait_handles,
-                                   FALSE,  // Waits for any of the handles.
-                                   INFINITE)) {
-    case WAIT_OBJECT_0:
-    case WAIT_OBJECT_0 + 1:
-      break;
-    default:
-      GTEST_DEATH_TEST_CHECK_(false);  // Should not get here.
-  }
-
-  // The child has acquired the write end of the pipe or exited.
-  // We release the handle on our side and continue.
-  write_handle_.Reset();
-  event_handle_.Reset();
-
-  ReadAndInterpretStatusByte();
-
-  // Waits for the child process to exit if it haven't already. This
-  // returns immediately if the child has already exited, regardless of
-  // whether previous calls to WaitForMultipleObjects synchronized on this
-  // handle or not.
-  GTEST_DEATH_TEST_CHECK_(
-      WAIT_OBJECT_0 == ::WaitForSingleObject(child_handle_.Get(),
-                                             INFINITE));
-  DWORD status_code;
-  GTEST_DEATH_TEST_CHECK_(
-      ::GetExitCodeProcess(child_handle_.Get(), &status_code) != FALSE);
-  child_handle_.Reset();
-  set_status(static_cast<int>(status_code));
-  return status();
-}
-
-// The AssumeRole process for a Windows death test.  It creates a child
-// process with the same executable as the current process to run the
-// death test.  The child process is given the --gtest_filter and
-// --gtest_internal_run_death_test flags such that it knows to run the
-// current death test only.
-DeathTest::TestRole WindowsDeathTest::AssumeRole() {
-  const UnitTestImpl* const impl = GetUnitTestImpl();
-  const InternalRunDeathTestFlag* const flag =
-      impl->internal_run_death_test_flag();
-  const TestInfo* const info = impl->current_test_info();
-  const int death_test_index = info->result()->death_test_count();
-
-  if (flag != NULL) {
-    // ParseInternalRunDeathTestFlag() has performed all the necessary
-    // processing.
-    set_write_fd(flag->write_fd());
-    return EXECUTE_TEST;
-  }
-
-  // WindowsDeathTest uses an anonymous pipe to communicate results of
-  // a death test.
-  SECURITY_ATTRIBUTES handles_are_inheritable = {
-    sizeof(SECURITY_ATTRIBUTES), NULL, TRUE };
-  HANDLE read_handle, write_handle;
-  GTEST_DEATH_TEST_CHECK_(
-      ::CreatePipe(&read_handle, &write_handle, &handles_are_inheritable,
-                   0)  // Default buffer size.
-      != FALSE);
-  set_read_fd(::_open_osfhandle(reinterpret_cast<intptr_t>(read_handle),
-                                O_RDONLY));
-  write_handle_.Reset(write_handle);
-  event_handle_.Reset(::CreateEvent(
-      &handles_are_inheritable,
-      TRUE,    // The event will automatically reset to non-signaled state.
-      FALSE,   // The initial state is non-signalled.
-      NULL));  // The even is unnamed.
-  GTEST_DEATH_TEST_CHECK_(event_handle_.Get() != NULL);
-  const std::string filter_flag =
-      std::string("--") + GTEST_FLAG_PREFIX_ + kFilterFlag + "=" +
-      info->test_case_name() + "." + info->name();
-  const std::string internal_flag =
-      std::string("--") + GTEST_FLAG_PREFIX_ + kInternalRunDeathTestFlag +
-      "=" + file_ + "|" + StreamableToString(line_) + "|" +
-      StreamableToString(death_test_index) + "|" +
-      StreamableToString(static_cast<unsigned int>(::GetCurrentProcessId())) +
-      // size_t has the same width as pointers on both 32-bit and 64-bit
-      // Windows platforms.
-      // See http://msdn.microsoft.com/en-us/library/tcxf1dw6.aspx.
-      "|" + StreamableToString(reinterpret_cast<size_t>(write_handle)) +
-      "|" + StreamableToString(reinterpret_cast<size_t>(event_handle_.Get()));
-
-  char executable_path[_MAX_PATH + 1];  // NOLINT
-  GTEST_DEATH_TEST_CHECK_(
-      _MAX_PATH + 1 != ::GetModuleFileNameA(NULL,
-                                            executable_path,
-                                            _MAX_PATH));
-
-  std::string command_line =
-      std::string(::GetCommandLineA()) + " " + filter_flag + " \"" +
-      internal_flag + "\"";
-
-  DeathTest::set_last_death_test_message("");
-
-  CaptureStderr();
-  // Flush the log buffers since the log streams are shared with the child.
-  FlushInfoLog();
-
-  // The child process will share the standard handles with the parent.
-  STARTUPINFOA startup_info;
-  memset(&startup_info, 0, sizeof(STARTUPINFO));
-  startup_info.dwFlags = STARTF_USESTDHANDLES;
-  startup_info.hStdInput = ::GetStdHandle(STD_INPUT_HANDLE);
-  startup_info.hStdOutput = ::GetStdHandle(STD_OUTPUT_HANDLE);
-  startup_info.hStdError = ::GetStdHandle(STD_ERROR_HANDLE);
-
-  PROCESS_INFORMATION process_info;
-  GTEST_DEATH_TEST_CHECK_(::CreateProcessA(
-      executable_path,
-      const_cast<char*>(command_line.c_str()),
-      NULL,   // Retuned process handle is not inheritable.
-      NULL,   // Retuned thread handle is not inheritable.
-      TRUE,   // Child inherits all inheritable handles (for write_handle_).
-      0x0,    // Default creation flags.
-      NULL,   // Inherit the parent's environment.
-      UnitTest::GetInstance()->original_working_dir(),
-      &startup_info,
-      &process_info) != FALSE);
-  child_handle_.Reset(process_info.hProcess);
-  ::CloseHandle(process_info.hThread);
-  set_spawned(true);
-  return OVERSEE_TEST;
-}
-# else  // We are not on Windows.
-
-// ForkingDeathTest provides implementations for most of the abstract
-// methods of the DeathTest interface.  Only the AssumeRole method is
-// left undefined.
-class ForkingDeathTest : public DeathTestImpl {
- public:
-  ForkingDeathTest(const char* statement, const RE* regex);
-
-  // All of these virtual functions are inherited from DeathTest.
-  virtual int Wait();
-
- protected:
-  void set_child_pid(pid_t child_pid) { child_pid_ = child_pid; }
-
- private:
-  // PID of child process during death test; 0 in the child process itself.
-  pid_t child_pid_;
-};
-
-// Constructs a ForkingDeathTest.
-ForkingDeathTest::ForkingDeathTest(const char* a_statement, const RE* a_regex)
-    : DeathTestImpl(a_statement, a_regex),
-      child_pid_(-1) {}
-
-// Waits for the child in a death test to exit, returning its exit
-// status, or 0 if no child process exists.  As a side effect, sets the
-// outcome data member.
-int ForkingDeathTest::Wait() {
-  if (!spawned())
-    return 0;
-
-  ReadAndInterpretStatusByte();
-
-  int status_value;
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(waitpid(child_pid_, &status_value, 0));
-  set_status(status_value);
-  return status_value;
-}
-
-// A concrete death test class that forks, then immediately runs the test
-// in the child process.
-class NoExecDeathTest : public ForkingDeathTest {
- public:
-  NoExecDeathTest(const char* a_statement, const RE* a_regex) :
-      ForkingDeathTest(a_statement, a_regex) { }
-  virtual TestRole AssumeRole();
-};
-
-// The AssumeRole process for a fork-and-run death test.  It implements a
-// straightforward fork, with a simple pipe to transmit the status byte.
-DeathTest::TestRole NoExecDeathTest::AssumeRole() {
-  const size_t thread_count = GetThreadCount();
-  if (thread_count != 1) {
-    GTEST_LOG_(WARNING) << DeathTestThreadWarning(thread_count);
-  }
-
-  int pipe_fd[2];
-  GTEST_DEATH_TEST_CHECK_(pipe(pipe_fd) != -1);
-
-  DeathTest::set_last_death_test_message("");
-  CaptureStderr();
-  // When we fork the process below, the log file buffers are copied, but the
-  // file descriptors are shared.  We flush all log files here so that closing
-  // the file descriptors in the child process doesn't throw off the
-  // synchronization between descriptors and buffers in the parent process.
-  // This is as close to the fork as possible to avoid a race condition in case
-  // there are multiple threads running before the death test, and another
-  // thread writes to the log file.
-  FlushInfoLog();
-
-  const pid_t child_pid = fork();
-  GTEST_DEATH_TEST_CHECK_(child_pid != -1);
-  set_child_pid(child_pid);
-  if (child_pid == 0) {
-    GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[0]));
-    set_write_fd(pipe_fd[1]);
-    // Redirects all logging to stderr in the child process to prevent
-    // concurrent writes to the log files.  We capture stderr in the parent
-    // process and append the child process' output to a log.
-    LogToStderr();
-    // Event forwarding to the listeners of event listener API mush be shut
-    // down in death test subprocesses.
-    GetUnitTestImpl()->listeners()->SuppressEventForwarding();
-    g_in_fast_death_test_child = true;
-    return EXECUTE_TEST;
-  } else {
-    GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[1]));
-    set_read_fd(pipe_fd[0]);
-    set_spawned(true);
-    return OVERSEE_TEST;
-  }
-}
-
-// A concrete death test class that forks and re-executes the main
-// program from the beginning, with command-line flags set that cause
-// only this specific death test to be run.
-class ExecDeathTest : public ForkingDeathTest {
- public:
-  ExecDeathTest(const char* a_statement, const RE* a_regex,
-                const char* file, int line) :
-      ForkingDeathTest(a_statement, a_regex), file_(file), line_(line) { }
-  virtual TestRole AssumeRole();
- private:
-  static ::std::vector<testing::internal::string>
-  GetArgvsForDeathTestChildProcess() {
-    ::std::vector<testing::internal::string> args = GetInjectableArgvs();
-    return args;
-  }
-  // The name of the file in which the death test is located.
-  const char* const file_;
-  // The line number on which the death test is located.
-  const int line_;
-};
-
-// Utility class for accumulating command-line arguments.
-class Arguments {
- public:
-  Arguments() {
-    args_.push_back(NULL);
-  }
-
-  ~Arguments() {
-    for (std::vector<char*>::iterator i = args_.begin(); i != args_.end();
-         ++i) {
-      free(*i);
-    }
-  }
-  void AddArgument(const char* argument) {
-    args_.insert(args_.end() - 1, posix::StrDup(argument));
-  }
-
-  template <typename Str>
-  void AddArguments(const ::std::vector<Str>& arguments) {
-    for (typename ::std::vector<Str>::const_iterator i = arguments.begin();
-         i != arguments.end();
-         ++i) {
-      args_.insert(args_.end() - 1, posix::StrDup(i->c_str()));
-    }
-  }
-  char* const* Argv() {
-    return &args_[0];
-  }
-
- private:
-  std::vector<char*> args_;
-};
-
-// A struct that encompasses the arguments to the child process of a
-// threadsafe-style death test process.
-struct ExecDeathTestArgs {
-  char* const* argv;  // Command-line arguments for the child's call to exec
-  int close_fd;       // File descriptor to close; the read end of a pipe
-};
-
-#  if GTEST_OS_MAC
-inline char** GetEnviron() {
-  // When Google Test is built as a framework on MacOS X, the environ variable
-  // is unavailable. Apple's documentation (man environ) recommends using
-  // _NSGetEnviron() instead.
-  return *_NSGetEnviron();
-}
-#  else
-// Some POSIX platforms expect you to declare environ. extern "C" makes
-// it reside in the global namespace.
-extern "C" char** environ;
-inline char** GetEnviron() { return environ; }
-#  endif  // GTEST_OS_MAC
-
-#  if !GTEST_OS_QNX
-// The main function for a threadsafe-style death test child process.
-// This function is called in a clone()-ed process and thus must avoid
-// any potentially unsafe operations like malloc or libc functions.
-static int ExecDeathTestChildMain(void* child_arg) {
-  ExecDeathTestArgs* const args = static_cast<ExecDeathTestArgs*>(child_arg);
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(args->close_fd));
-
-  // We need to execute the test program in the same environment where
-  // it was originally invoked.  Therefore we change to the original
-  // working directory first.
-  const char* const original_dir =
-      UnitTest::GetInstance()->original_working_dir();
-  // We can safely call chdir() as it's a direct system call.
-  if (chdir(original_dir) != 0) {
-    DeathTestAbort(std::string("chdir(\"") + original_dir + "\") failed: " +
-                   GetLastErrnoDescription());
-    return EXIT_FAILURE;
-  }
-
-  // We can safely call execve() as it's a direct system call.  We
-  // cannot use execvp() as it's a libc function and thus potentially
-  // unsafe.  Since execve() doesn't search the PATH, the user must
-  // invoke the test program via a valid path that contains at least
-  // one path separator.
-  execve(args->argv[0], args->argv, GetEnviron());
-  DeathTestAbort(std::string("execve(") + args->argv[0] + ", ...) in " +
-                 original_dir + " failed: " +
-                 GetLastErrnoDescription());
-  return EXIT_FAILURE;
-}
-#  endif  // !GTEST_OS_QNX
-
-// Two utility routines that together determine the direction the stack
-// grows.
-// This could be accomplished more elegantly by a single recursive
-// function, but we want to guard against the unlikely possibility of
-// a smart compiler optimizing the recursion away.
-//
-// GTEST_NO_INLINE_ is required to prevent GCC 4.6 from inlining
-// StackLowerThanAddress into StackGrowsDown, which then doesn't give
-// correct answer.
-void StackLowerThanAddress(const void* ptr, bool* result) GTEST_NO_INLINE_;
-void StackLowerThanAddress(const void* ptr, bool* result) {
-  int dummy;
-  *result = (&dummy < ptr);
-}
-
-bool StackGrowsDown() {
-  int dummy;
-  bool result;
-  StackLowerThanAddress(&dummy, &result);
-  return result;
-}
-
-// Spawns a child process with the same executable as the current process in
-// a thread-safe manner and instructs it to run the death test.  The
-// implementation uses fork(2) + exec.  On systems where clone(2) is
-// available, it is used instead, being slightly more thread-safe.  On QNX,
-// fork supports only single-threaded environments, so this function uses
-// spawn(2) there instead.  The function dies with an error message if
-// anything goes wrong.
-static pid_t ExecDeathTestSpawnChild(char* const* argv, int close_fd) {
-  ExecDeathTestArgs args = { argv, close_fd };
-  pid_t child_pid = -1;
-
-#  if GTEST_OS_QNX
-  // Obtains the current directory and sets it to be closed in the child
-  // process.
-  const int cwd_fd = open(".", O_RDONLY);
-  GTEST_DEATH_TEST_CHECK_(cwd_fd != -1);
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(fcntl(cwd_fd, F_SETFD, FD_CLOEXEC));
-  // We need to execute the test program in the same environment where
-  // it was originally invoked.  Therefore we change to the original
-  // working directory first.
-  const char* const original_dir =
-      UnitTest::GetInstance()->original_working_dir();
-  // We can safely call chdir() as it's a direct system call.
-  if (chdir(original_dir) != 0) {
-    DeathTestAbort(std::string("chdir(\"") + original_dir + "\") failed: " +
-                   GetLastErrnoDescription());
-    return EXIT_FAILURE;
-  }
-
-  int fd_flags;
-  // Set close_fd to be closed after spawn.
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(fd_flags = fcntl(close_fd, F_GETFD));
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(fcntl(close_fd, F_SETFD,
-                                        fd_flags | FD_CLOEXEC));
-  struct inheritance inherit = {0};
-  // spawn is a system call.
-  child_pid = spawn(args.argv[0], 0, NULL, &inherit, args.argv, GetEnviron());
-  // Restores the current working directory.
-  GTEST_DEATH_TEST_CHECK_(fchdir(cwd_fd) != -1);
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(cwd_fd));
-
-#  else   // GTEST_OS_QNX
-#   if GTEST_OS_LINUX
-  // When a SIGPROF signal is received while fork() or clone() are executing,
-  // the process may hang. To avoid this, we ignore SIGPROF here and re-enable
-  // it after the call to fork()/clone() is complete.
-  struct sigaction saved_sigprof_action;
-  struct sigaction ignore_sigprof_action;
-  memset(&ignore_sigprof_action, 0, sizeof(ignore_sigprof_action));
-  sigemptyset(&ignore_sigprof_action.sa_mask);
-  ignore_sigprof_action.sa_handler = SIG_IGN;
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(sigaction(
-      SIGPROF, &ignore_sigprof_action, &saved_sigprof_action));
-#   endif  // GTEST_OS_LINUX
-
-#   if GTEST_HAS_CLONE
-  const bool use_fork = GTEST_FLAG(death_test_use_fork);
-
-  if (!use_fork) {
-    static const bool stack_grows_down = StackGrowsDown();
-    const size_t stack_size = getpagesize();
-    // MMAP_ANONYMOUS is not defined on Mac, so we use MAP_ANON instead.
-    void* const stack = mmap(NULL, stack_size, PROT_READ | PROT_WRITE,
-                             MAP_ANON | MAP_PRIVATE, -1, 0);
-    GTEST_DEATH_TEST_CHECK_(stack != MAP_FAILED);
-
-    // Maximum stack alignment in bytes:  For a downward-growing stack, this
-    // amount is subtracted from size of the stack space to get an address
-    // that is within the stack space and is aligned on all systems we care
-    // about.  As far as I know there is no ABI with stack alignment greater
-    // than 64.  We assume stack and stack_size already have alignment of
-    // kMaxStackAlignment.
-    const size_t kMaxStackAlignment = 64;
-    void* const stack_top =
-        static_cast<char*>(stack) +
-            (stack_grows_down ? stack_size - kMaxStackAlignment : 0);
-    GTEST_DEATH_TEST_CHECK_(stack_size > kMaxStackAlignment &&
-        reinterpret_cast<intptr_t>(stack_top) % kMaxStackAlignment == 0);
-
-    child_pid = clone(&ExecDeathTestChildMain, stack_top, SIGCHLD, &args);
-
-    GTEST_DEATH_TEST_CHECK_(munmap(stack, stack_size) != -1);
-  }
-#   else
-  const bool use_fork = true;
-#   endif  // GTEST_HAS_CLONE
-
-  if (use_fork && (child_pid = fork()) == 0) {
-      ExecDeathTestChildMain(&args);
-      _exit(0);
-  }
-#  endif  // GTEST_OS_QNX
-#  if GTEST_OS_LINUX
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(
-      sigaction(SIGPROF, &saved_sigprof_action, NULL));
-#  endif  // GTEST_OS_LINUX
-
-  GTEST_DEATH_TEST_CHECK_(child_pid != -1);
-  return child_pid;
-}
-
-// The AssumeRole process for a fork-and-exec death test.  It re-executes the
-// main program from the beginning, setting the --gtest_filter
-// and --gtest_internal_run_death_test flags to cause only the current
-// death test to be re-run.
-DeathTest::TestRole ExecDeathTest::AssumeRole() {
-  const UnitTestImpl* const impl = GetUnitTestImpl();
-  const InternalRunDeathTestFlag* const flag =
-      impl->internal_run_death_test_flag();
-  const TestInfo* const info = impl->current_test_info();
-  const int death_test_index = info->result()->death_test_count();
-
-  if (flag != NULL) {
-    set_write_fd(flag->write_fd());
-    return EXECUTE_TEST;
-  }
-
-  int pipe_fd[2];
-  GTEST_DEATH_TEST_CHECK_(pipe(pipe_fd) != -1);
-  // Clear the close-on-exec flag on the write end of the pipe, lest
-  // it be closed when the child process does an exec:
-  GTEST_DEATH_TEST_CHECK_(fcntl(pipe_fd[1], F_SETFD, 0) != -1);
-
-  const std::string filter_flag =
-      std::string("--") + GTEST_FLAG_PREFIX_ + kFilterFlag + "="
-      + info->test_case_name() + "." + info->name();
-  const std::string internal_flag =
-      std::string("--") + GTEST_FLAG_PREFIX_ + kInternalRunDeathTestFlag + "="
-      + file_ + "|" + StreamableToString(line_) + "|"
-      + StreamableToString(death_test_index) + "|"
-      + StreamableToString(pipe_fd[1]);
-  Arguments args;
-  args.AddArguments(GetArgvsForDeathTestChildProcess());
-  args.AddArgument(filter_flag.c_str());
-  args.AddArgument(internal_flag.c_str());
-
-  DeathTest::set_last_death_test_message("");
-
-  CaptureStderr();
-  // See the comment in NoExecDeathTest::AssumeRole for why the next line
-  // is necessary.
-  FlushInfoLog();
-
-  const pid_t child_pid = ExecDeathTestSpawnChild(args.Argv(), pipe_fd[0]);
-  GTEST_DEATH_TEST_CHECK_SYSCALL_(close(pipe_fd[1]));
-  set_child_pid(child_pid);
-  set_read_fd(pipe_fd[0]);
-  set_spawned(true);
-  return OVERSEE_TEST;
-}
-
-# endif  // !GTEST_OS_WINDOWS
-
-// Creates a concrete DeathTest-derived class that depends on the
-// --gtest_death_test_style flag, and sets the pointer pointed to
-// by the "test" argument to its address.  If the test should be
-// skipped, sets that pointer to NULL.  Returns true, unless the
-// flag is set to an invalid value.
-bool DefaultDeathTestFactory::Create(const char* statement, const RE* regex,
-                                     const char* file, int line,
-                                     DeathTest** test) {
-  UnitTestImpl* const impl = GetUnitTestImpl();
-  const InternalRunDeathTestFlag* const flag =
-      impl->internal_run_death_test_flag();
-  const int death_test_index = impl->current_test_info()
-      ->increment_death_test_count();
-
-  if (flag != NULL) {
-    if (death_test_index > flag->index()) {
-      DeathTest::set_last_death_test_message(
-          "Death test count (" + StreamableToString(death_test_index)
-          + ") somehow exceeded expected maximum ("
-          + StreamableToString(flag->index()) + ")");
-      return false;
-    }
-
-    if (!(flag->file() == file && flag->line() == line &&
-          flag->index() == death_test_index)) {
-      *test = NULL;
-      return true;
-    }
-  }
-
-# if GTEST_OS_WINDOWS
-
-  if (GTEST_FLAG(death_test_style) == "threadsafe" ||
-      GTEST_FLAG(death_test_style) == "fast") {
-    *test = new WindowsDeathTest(statement, regex, file, line);
-  }
-
-# else
-
-  if (GTEST_FLAG(death_test_style) == "threadsafe") {
-    *test = new ExecDeathTest(statement, regex, file, line);
-  } else if (GTEST_FLAG(death_test_style) == "fast") {
-    *test = new NoExecDeathTest(statement, regex);
-  }
-
-# endif  // GTEST_OS_WINDOWS
-
-  else {  // NOLINT - this is more readable than unbalanced brackets inside #if.
-    DeathTest::set_last_death_test_message(
-        "Unknown death test style \"" + GTEST_FLAG(death_test_style)
-        + "\" encountered");
-    return false;
-  }
-
-  return true;
-}
-
-// Splits a given string on a given delimiter, populating a given
-// vector with the fields.  GTEST_HAS_DEATH_TEST implies that we have
-// ::std::string, so we can use it here.
-static void SplitString(const ::std::string& str, char delimiter,
-                        ::std::vector< ::std::string>* dest) {
-  ::std::vector< ::std::string> parsed;
-  ::std::string::size_type pos = 0;
-  while (::testing::internal::AlwaysTrue()) {
-    const ::std::string::size_type colon = str.find(delimiter, pos);
-    if (colon == ::std::string::npos) {
-      parsed.push_back(str.substr(pos));
-      break;
-    } else {
-      parsed.push_back(str.substr(pos, colon - pos));
-      pos = colon + 1;
-    }
-  }
-  dest->swap(parsed);
-}
-
-# if GTEST_OS_WINDOWS
-// Recreates the pipe and event handles from the provided parameters,
-// signals the event, and returns a file descriptor wrapped around the pipe
-// handle. This function is called in the child process only.
-int GetStatusFileDescriptor(unsigned int parent_process_id,
-                            size_t write_handle_as_size_t,
-                            size_t event_handle_as_size_t) {
-  AutoHandle parent_process_handle(::OpenProcess(PROCESS_DUP_HANDLE,
-                                                   FALSE,  // Non-inheritable.
-                                                   parent_process_id));
-  if (parent_process_handle.Get() == INVALID_HANDLE_VALUE) {
-    DeathTestAbort("Unable to open parent process " +
-                   StreamableToString(parent_process_id));
-  }
-
-  // TODO(vladl@google.com): Replace the following check with a
-  // compile-time assertion when available.
-  GTEST_CHECK_(sizeof(HANDLE) <= sizeof(size_t));
-
-  const HANDLE write_handle =
-      reinterpret_cast<HANDLE>(write_handle_as_size_t);
-  HANDLE dup_write_handle;
-
-  // The newly initialized handle is accessible only in in the parent
-  // process. To obtain one accessible within the child, we need to use
-  // DuplicateHandle.
-  if (!::DuplicateHandle(parent_process_handle.Get(), write_handle,
-                         ::GetCurrentProcess(), &dup_write_handle,
-                         0x0,    // Requested privileges ignored since
-                                 // DUPLICATE_SAME_ACCESS is used.
-                         FALSE,  // Request non-inheritable handler.
-                         DUPLICATE_SAME_ACCESS)) {
-    DeathTestAbort("Unable to duplicate the pipe handle " +
-                   StreamableToString(write_handle_as_size_t) +
-                   " from the parent process " +
-                   StreamableToString(parent_process_id));
-  }
-
-  const HANDLE event_handle = reinterpret_cast<HANDLE>(event_handle_as_size_t);
-  HANDLE dup_event_handle;
-
-  if (!::DuplicateHandle(parent_process_handle.Get(), event_handle,
-                         ::GetCurrentProcess(), &dup_event_handle,
-                         0x0,
-                         FALSE,
-                         DUPLICATE_SAME_ACCESS)) {
-    DeathTestAbort("Unable to duplicate the event handle " +
-                   StreamableToString(event_handle_as_size_t) +
-                   " from the parent process " +
-                   StreamableToString(parent_process_id));
-  }
-
-  const int write_fd =
-      ::_open_osfhandle(reinterpret_cast<intptr_t>(dup_write_handle), O_APPEND);
-  if (write_fd == -1) {
-    DeathTestAbort("Unable to convert pipe handle " +
-                   StreamableToString(write_handle_as_size_t) +
-                   " to a file descriptor");
-  }
-
-  // Signals the parent that the write end of the pipe has been acquired
-  // so the parent can release its own write end.
-  ::SetEvent(dup_event_handle);
-
-  return write_fd;
-}
-# endif  // GTEST_OS_WINDOWS
-
-// Returns a newly created InternalRunDeathTestFlag object with fields
-// initialized from the GTEST_FLAG(internal_run_death_test) flag if
-// the flag is specified; otherwise returns NULL.
-InternalRunDeathTestFlag* ParseInternalRunDeathTestFlag() {
-  if (GTEST_FLAG(internal_run_death_test) == "") return NULL;
-
-  // GTEST_HAS_DEATH_TEST implies that we have ::std::string, so we
-  // can use it here.
-  int line = -1;
-  int index = -1;
-  ::std::vector< ::std::string> fields;
-  SplitString(GTEST_FLAG(internal_run_death_test).c_str(), '|', &fields);
-  int write_fd = -1;
-
-# if GTEST_OS_WINDOWS
-
-  unsigned int parent_process_id = 0;
-  size_t write_handle_as_size_t = 0;
-  size_t event_handle_as_size_t = 0;
-
-  if (fields.size() != 6
-      || !ParseNaturalNumber(fields[1], &line)
-      || !ParseNaturalNumber(fields[2], &index)
-      || !ParseNaturalNumber(fields[3], &parent_process_id)
-      || !ParseNaturalNumber(fields[4], &write_handle_as_size_t)
-      || !ParseNaturalNumber(fields[5], &event_handle_as_size_t)) {
-    DeathTestAbort("Bad --gtest_internal_run_death_test flag: " +
-                   GTEST_FLAG(internal_run_death_test));
-  }
-  write_fd = GetStatusFileDescriptor(parent_process_id,
-                                     write_handle_as_size_t,
-                                     event_handle_as_size_t);
-# else
-
-  if (fields.size() != 4
-      || !ParseNaturalNumber(fields[1], &line)
-      || !ParseNaturalNumber(fields[2], &index)
-      || !ParseNaturalNumber(fields[3], &write_fd)) {
-    DeathTestAbort("Bad --gtest_internal_run_death_test flag: "
-        + GTEST_FLAG(internal_run_death_test));
-  }
-
-# endif  // GTEST_OS_WINDOWS
-
-  return new InternalRunDeathTestFlag(fields[0], line, index, write_fd);
-}
-
-}  // namespace internal
-
-#endif  // GTEST_HAS_DEATH_TEST
-
-}  // namespace testing
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: keith.ray@gmail.com (Keith Ray)
-
-
-#include <stdlib.h>
-
-#if GTEST_OS_WINDOWS_MOBILE
-# include <windows.h>
-#elif GTEST_OS_WINDOWS
-# include <direct.h>
-# include <io.h>
-#elif GTEST_OS_SYMBIAN
-// Symbian OpenC has PATH_MAX in sys/syslimits.h
-# include <sys/syslimits.h>
-#else
-# include <limits.h>
-# include <climits>  // Some Linux distributions define PATH_MAX here.
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-#if GTEST_OS_WINDOWS
-# define GTEST_PATH_MAX_ _MAX_PATH
-#elif defined(PATH_MAX)
-# define GTEST_PATH_MAX_ PATH_MAX
-#elif defined(_XOPEN_PATH_MAX)
-# define GTEST_PATH_MAX_ _XOPEN_PATH_MAX
-#else
-# define GTEST_PATH_MAX_ _POSIX_PATH_MAX
-#endif  // GTEST_OS_WINDOWS
-
-
-namespace testing {
-namespace internal {
-
-#if GTEST_OS_WINDOWS
-// On Windows, '\\' is the standard path separator, but many tools and the
-// Windows API also accept '/' as an alternate path separator. Unless otherwise
-// noted, a file path can contain either kind of path separators, or a mixture
-// of them.
-const char kPathSeparator = '\\';
-const char kAlternatePathSeparator = '/';
-//const char kPathSeparatorString[] = "\\";
-const char kAlternatePathSeparatorString[] = "/";
-# if GTEST_OS_WINDOWS_MOBILE
-// Windows CE doesn't have a current directory. You should not use
-// the current directory in tests on Windows CE, but this at least
-// provides a reasonable fallback.
-const char kCurrentDirectoryString[] = "\\";
-// Windows CE doesn't define INVALID_FILE_ATTRIBUTES
-const DWORD kInvalidFileAttributes = 0xffffffff;
-# else
-const char kCurrentDirectoryString[] = ".\\";
-# endif  // GTEST_OS_WINDOWS_MOBILE
-#else
-const char kPathSeparator = '/';
-//const char kPathSeparatorString[] = "/";
-const char kCurrentDirectoryString[] = "./";
-#endif  // GTEST_OS_WINDOWS
-
-// Returns whether the given character is a valid path separator.
-static bool IsPathSeparator(char c) {
-#if GTEST_HAS_ALT_PATH_SEP_
-  return (c == kPathSeparator) || (c == kAlternatePathSeparator);
-#else
-  return c == kPathSeparator;
-#endif
-}
-
-// Returns the current working directory, or "" if unsuccessful.
-FilePath FilePath::GetCurrentDir() {
-#if GTEST_OS_WINDOWS_MOBILE
-  // Windows CE doesn't have a current directory, so we just return
-  // something reasonable.
-  return FilePath(kCurrentDirectoryString);
-#elif GTEST_OS_WINDOWS
-  char cwd[GTEST_PATH_MAX_ + 1] = { '\0' };
-  return FilePath(_getcwd(cwd, sizeof(cwd)) == NULL ? "" : cwd);
-#else
-  char cwd[GTEST_PATH_MAX_ + 1] = { '\0' };
-  return FilePath(getcwd(cwd, sizeof(cwd)) == NULL ? "" : cwd);
-#endif  // GTEST_OS_WINDOWS_MOBILE
-}
-
-// Returns a copy of the FilePath with the case-insensitive extension removed.
-// Example: FilePath("dir/file.exe").RemoveExtension("EXE") returns
-// FilePath("dir/file"). If a case-insensitive extension is not
-// found, returns a copy of the original FilePath.
-FilePath FilePath::RemoveExtension(const char* extension) const {
-  const std::string dot_extension = std::string(".") + extension;
-  if (String::EndsWithCaseInsensitive(pathname_, dot_extension)) {
-    return FilePath(pathname_.substr(
-        0, pathname_.length() - dot_extension.length()));
-  }
-  return *this;
-}
-
-// Returns a pointer to the last occurrence of a valid path separator in
-// the FilePath. On Windows, for example, both '/' and '\' are valid path
-// separators. Returns NULL if no path separator was found.
-const char* FilePath::FindLastPathSeparator() const {
-  const char* const last_sep = strrchr(c_str(), kPathSeparator);
-#if GTEST_HAS_ALT_PATH_SEP_
-  const char* const last_alt_sep = strrchr(c_str(), kAlternatePathSeparator);
-  // Comparing two pointers of which only one is NULL is undefined.
-  if (last_alt_sep != NULL &&
-      (last_sep == NULL || last_alt_sep > last_sep)) {
-    return last_alt_sep;
-  }
-#endif
-  return last_sep;
-}
-
-// Returns a copy of the FilePath with the directory part removed.
-// Example: FilePath("path/to/file").RemoveDirectoryName() returns
-// FilePath("file"). If there is no directory part ("just_a_file"), it returns
-// the FilePath unmodified. If there is no file part ("just_a_dir/") it
-// returns an empty FilePath ("").
-// On Windows platform, '\' is the path separator, otherwise it is '/'.
-FilePath FilePath::RemoveDirectoryName() const {
-  const char* const last_sep = FindLastPathSeparator();
-  return last_sep ? FilePath(last_sep + 1) : *this;
-}
-
-// RemoveFileName returns the directory path with the filename removed.
-// Example: FilePath("path/to/file").RemoveFileName() returns "path/to/".
-// If the FilePath is "a_file" or "/a_file", RemoveFileName returns
-// FilePath("./") or, on Windows, FilePath(".\\"). If the filepath does
-// not have a file, like "just/a/dir/", it returns the FilePath unmodified.
-// On Windows platform, '\' is the path separator, otherwise it is '/'.
-FilePath FilePath::RemoveFileName() const {
-  const char* const last_sep = FindLastPathSeparator();
-  std::string dir;
-  if (last_sep) {
-    dir = std::string(c_str(), last_sep + 1 - c_str());
-  } else {
-    dir = kCurrentDirectoryString;
-  }
-  return FilePath(dir);
-}
-
-// Helper functions for naming files in a directory for xml output.
-
-// Given directory = "dir", base_name = "test", number = 0,
-// extension = "xml", returns "dir/test.xml". If number is greater
-// than zero (e.g., 12), returns "dir/test_12.xml".
-// On Windows platform, uses \ as the separator rather than /.
-FilePath FilePath::MakeFileName(const FilePath& directory,
-                                const FilePath& base_name,
-                                int number,
-                                const char* extension) {
-  std::string file;
-  if (number == 0) {
-    file = base_name.string() + "." + extension;
-  } else {
-    file = base_name.string() + "_" + StreamableToString(number)
-        + "." + extension;
-  }
-  return ConcatPaths(directory, FilePath(file));
-}
-
-// Given directory = "dir", relative_path = "test.xml", returns "dir/test.xml".
-// On Windows, uses \ as the separator rather than /.
-FilePath FilePath::ConcatPaths(const FilePath& directory,
-                               const FilePath& relative_path) {
-  if (directory.IsEmpty())
-    return relative_path;
-  const FilePath dir(directory.RemoveTrailingPathSeparator());
-  return FilePath(dir.string() + kPathSeparator + relative_path.string());
-}
-
-// Returns true if pathname describes something findable in the file-system,
-// either a file, directory, or whatever.
-bool FilePath::FileOrDirectoryExists() const {
-#if GTEST_OS_WINDOWS_MOBILE
-  LPCWSTR unicode = String::AnsiToUtf16(pathname_.c_str());
-  const DWORD attributes = GetFileAttributes(unicode);
-  delete [] unicode;
-  return attributes != kInvalidFileAttributes;
-#else
-  posix::StatStruct file_stat;
-  return posix::Stat(pathname_.c_str(), &file_stat) == 0;
-#endif  // GTEST_OS_WINDOWS_MOBILE
-}
-
-// Returns true if pathname describes a directory in the file-system
-// that exists.
-bool FilePath::DirectoryExists() const {
-  bool result = false;
-#if GTEST_OS_WINDOWS
-  // Don't strip off trailing separator if path is a root directory on
-  // Windows (like "C:\\").
-  const FilePath& path(IsRootDirectory() ? *this :
-                                           RemoveTrailingPathSeparator());
-#else
-  const FilePath& path(*this);
-#endif
-
-#if GTEST_OS_WINDOWS_MOBILE
-  LPCWSTR unicode = String::AnsiToUtf16(path.c_str());
-  const DWORD attributes = GetFileAttributes(unicode);
-  delete [] unicode;
-  if ((attributes != kInvalidFileAttributes) &&
-      (attributes & FILE_ATTRIBUTE_DIRECTORY)) {
-    result = true;
-  }
-#else
-  posix::StatStruct file_stat;
-  result = posix::Stat(path.c_str(), &file_stat) == 0 &&
-      posix::IsDir(file_stat);
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-  return result;
-}
-
-// Returns true if pathname describes a root directory. (Windows has one
-// root directory per disk drive.)
-bool FilePath::IsRootDirectory() const {
-#if GTEST_OS_WINDOWS
-  // TODO(wan@google.com): on Windows a network share like
-  // \\server\share can be a root directory, although it cannot be the
-  // current directory.  Handle this properly.
-  return pathname_.length() == 3 && IsAbsolutePath();
-#else
-  return pathname_.length() == 1 && IsPathSeparator(pathname_.c_str()[0]);
-#endif
-}
-
-// Returns true if pathname describes an absolute path.
-bool FilePath::IsAbsolutePath() const {
-  const char* const name = pathname_.c_str();
-#if GTEST_OS_WINDOWS
-  return pathname_.length() >= 3 &&
-     ((name[0] >= 'a' && name[0] <= 'z') ||
-      (name[0] >= 'A' && name[0] <= 'Z')) &&
-     name[1] == ':' &&
-     IsPathSeparator(name[2]);
-#else
-  return IsPathSeparator(name[0]);
-#endif
-}
-
-// Returns a pathname for a file that does not currently exist. The pathname
-// will be directory/base_name.extension or
-// directory/base_name_<number>.extension if directory/base_name.extension
-// already exists. The number will be incremented until a pathname is found
-// that does not already exist.
-// Examples: 'dir/foo_test.xml' or 'dir/foo_test_1.xml'.
-// There could be a race condition if two or more processes are calling this
-// function at the same time -- they could both pick the same filename.
-FilePath FilePath::GenerateUniqueFileName(const FilePath& directory,
-                                          const FilePath& base_name,
-                                          const char* extension) {
-  FilePath full_pathname;
-  int number = 0;
-  do {
-    full_pathname.Set(MakeFileName(directory, base_name, number++, extension));
-  } while (full_pathname.FileOrDirectoryExists());
-  return full_pathname;
-}
-
-// Returns true if FilePath ends with a path separator, which indicates that
-// it is intended to represent a directory. Returns false otherwise.
-// This does NOT check that a directory (or file) actually exists.
-bool FilePath::IsDirectory() const {
-  return !pathname_.empty() &&
-         IsPathSeparator(pathname_.c_str()[pathname_.length() - 1]);
-}
-
-// Create directories so that path exists. Returns true if successful or if
-// the directories already exist; returns false if unable to create directories
-// for any reason.
-bool FilePath::CreateDirectoriesRecursively() const {
-  if (!this->IsDirectory()) {
-    return false;
-  }
-
-  if (pathname_.length() == 0 || this->DirectoryExists()) {
-    return true;
-  }
-
-  const FilePath parent(this->RemoveTrailingPathSeparator().RemoveFileName());
-  return parent.CreateDirectoriesRecursively() && this->CreateFolder();
-}
-
-// Create the directory so that path exists. Returns true if successful or
-// if the directory already exists; returns false if unable to create the
-// directory for any reason, including if the parent directory does not
-// exist. Not named "CreateDirectory" because that's a macro on Windows.
-bool FilePath::CreateFolder() const {
-#if GTEST_OS_WINDOWS_MOBILE
-  FilePath removed_sep(this->RemoveTrailingPathSeparator());
-  LPCWSTR unicode = String::AnsiToUtf16(removed_sep.c_str());
-  int result = CreateDirectory(unicode, NULL) ? 0 : -1;
-  delete [] unicode;
-#elif GTEST_OS_WINDOWS
-  int result = _mkdir(pathname_.c_str());
-#else
-  int result = mkdir(pathname_.c_str(), 0777);
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-  if (result == -1) {
-    return this->DirectoryExists();  // An error is OK if the directory exists.
-  }
-  return true;  // No error.
-}
-
-// If input name has a trailing separator character, remove it and return the
-// name, otherwise return the name string unmodified.
-// On Windows platform, uses \ as the separator, other platforms use /.
-FilePath FilePath::RemoveTrailingPathSeparator() const {
-  return IsDirectory()
-      ? FilePath(pathname_.substr(0, pathname_.length() - 1))
-      : *this;
-}
-
-// Removes any redundant separators that might be in the pathname.
-// For example, "bar///foo" becomes "bar/foo". Does not eliminate other
-// redundancies that might be in a pathname involving "." or "..".
-// TODO(wan@google.com): handle Windows network shares (e.g. \\server\share).
-void FilePath::Normalize() {
-  if (pathname_.c_str() == NULL) {
-    pathname_ = "";
-    return;
-  }
-  const char* src = pathname_.c_str();
-  char* const dest = new char[pathname_.length() + 1];
-  char* dest_ptr = dest;
-  memset(dest_ptr, 0, pathname_.length() + 1);
-
-  while (*src != '\0') {
-    *dest_ptr = *src;
-    if (!IsPathSeparator(*src)) {
-      src++;
-    } else {
-#if GTEST_HAS_ALT_PATH_SEP_
-      if (*dest_ptr == kAlternatePathSeparator) {
-        *dest_ptr = kPathSeparator;
-      }
-#endif
-      while (IsPathSeparator(*src))
-        src++;
-    }
-    dest_ptr++;
-  }
-  *dest_ptr = '\0';
-  pathname_ = dest;
-  delete[] dest;
-}
-
-}  // namespace internal
-}  // namespace testing
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-
-#include <limits.h>
-#include <stdlib.h>
-#include <stdio.h>
-#include <string.h>
-
-#if GTEST_OS_WINDOWS_MOBILE
-# include <windows.h>  // For TerminateProcess()
-#elif GTEST_OS_WINDOWS
-# include <io.h>
-# include <sys/stat.h>
-#else
-# include <unistd.h>
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-#if GTEST_OS_MAC
-# include <mach/mach_init.h>
-# include <mach/task.h>
-# include <mach/vm_map.h>
-#endif  // GTEST_OS_MAC
-
-#if GTEST_OS_QNX
-# include <devctl.h>
-# include <sys/procfs.h>
-#endif  // GTEST_OS_QNX
-
-
-// Indicates that this translation unit is part of Google Test's
-// implementation.  It must come before gtest-internal-inl.h is
-// included, or there will be a compiler error.  This trick is to
-// prevent a user from accidentally including gtest-internal-inl.h in
-// his code.
-#define GTEST_IMPLEMENTATION_ 1
-#undef GTEST_IMPLEMENTATION_
-
-namespace testing {
-namespace internal {
-
-#if defined(_MSC_VER) || defined(__BORLANDC__)
-// MSVC and C++Builder do not provide a definition of STDERR_FILENO.
-const int kStdOutFileno = 1;
-const int kStdErrFileno = 2;
-#else
-const int kStdOutFileno = STDOUT_FILENO;
-const int kStdErrFileno = STDERR_FILENO;
-#endif  // _MSC_VER
-
-#if GTEST_OS_MAC
-
-// Returns the number of threads running in the process, or 0 to indicate that
-// we cannot detect it.
-size_t GetThreadCount() {
-  const task_t task = mach_task_self();
-  mach_msg_type_number_t thread_count;
-  thread_act_array_t thread_list;
-  const kern_return_t status = task_threads(task, &thread_list, &thread_count);
-  if (status == KERN_SUCCESS) {
-    // task_threads allocates resources in thread_list and we need to free them
-    // to avoid leaks.
-    vm_deallocate(task,
-                  reinterpret_cast<vm_address_t>(thread_list),
-                  sizeof(thread_t) * thread_count);
-    return static_cast<size_t>(thread_count);
-  } else {
-    return 0;
-  }
-}
-
-#elif GTEST_OS_QNX
-
-// Returns the number of threads running in the process, or 0 to indicate that
-// we cannot detect it.
-size_t GetThreadCount() {
-  const int fd = open("/proc/self/as", O_RDONLY);
-  if (fd < 0) {
-    return 0;
-  }
-  procfs_info process_info;
-  const int status =
-      devctl(fd, DCMD_PROC_INFO, &process_info, sizeof(process_info), NULL);
-  close(fd);
-  if (status == EOK) {
-    return static_cast<size_t>(process_info.num_threads);
-  } else {
-    return 0;
-  }
-}
-
-#else
-
-size_t GetThreadCount() {
-  // There's no portable way to detect the number of threads, so we just
-  // return 0 to indicate that we cannot detect it.
-  return 0;
-}
-
-#endif  // GTEST_OS_MAC
-
-#if GTEST_USES_POSIX_RE
-
-// Implements RE.  Currently only needed for death tests.
-
-RE::~RE() {
-  if (is_valid_) {
-    // regfree'ing an invalid regex might crash because the content
-    // of the regex is undefined. Since the regex's are essentially
-    // the same, one cannot be valid (or invalid) without the other
-    // being so too.
-    regfree(&partial_regex_);
-    regfree(&full_regex_);
-  }
-  free(const_cast<char*>(pattern_));
-}
-
-// Returns true iff regular expression re matches the entire str.
-bool RE::FullMatch(const char* str, const RE& re) {
-  if (!re.is_valid_) return false;
-
-  regmatch_t match;
-  return regexec(&re.full_regex_, str, 1, &match, 0) == 0;
-}
-
-// Returns true iff regular expression re matches a substring of str
-// (including str itself).
-bool RE::PartialMatch(const char* str, const RE& re) {
-  if (!re.is_valid_) return false;
-
-  regmatch_t match;
-  return regexec(&re.partial_regex_, str, 1, &match, 0) == 0;
-}
-
-// Initializes an RE from its string representation.
-void RE::Init(const char* regex) {
-  pattern_ = posix::StrDup(regex);
-
-  // Reserves enough bytes to hold the regular expression used for a
-  // full match.
-  const size_t full_regex_len = strlen(regex) + 10;
-  char* const full_pattern = new char[full_regex_len];
-
-  snprintf(full_pattern, full_regex_len, "^(%s)$", regex);
-  is_valid_ = regcomp(&full_regex_, full_pattern, REG_EXTENDED) == 0;
-  // We want to call regcomp(&partial_regex_, ...) even if the
-  // previous expression returns false.  Otherwise partial_regex_ may
-  // not be properly initialized can may cause trouble when it's
-  // freed.
-  //
-  // Some implementation of POSIX regex (e.g. on at least some
-  // versions of Cygwin) doesn't accept the empty string as a valid
-  // regex.  We change it to an equivalent form "()" to be safe.
-  if (is_valid_) {
-    const char* const partial_regex = (*regex == '\0') ? "()" : regex;
-    is_valid_ = regcomp(&partial_regex_, partial_regex, REG_EXTENDED) == 0;
-  }
-  EXPECT_TRUE(is_valid_)
-      << "Regular expression \"" << regex
-      << "\" is not a valid POSIX Extended regular expression.";
-
-  delete[] full_pattern;
-}
-
-#elif GTEST_USES_SIMPLE_RE
-
-// Returns true iff ch appears anywhere in str (excluding the
-// terminating '\0' character).
-bool IsInSet(char ch, const char* str) {
-  return ch != '\0' && strchr(str, ch) != NULL;
-}
-
-// Returns true iff ch belongs to the given classification.  Unlike
-// similar functions in <ctype.h>, these aren't affected by the
-// current locale.
-bool IsAsciiDigit(char ch) { return '0' <= ch && ch <= '9'; }
-bool IsAsciiPunct(char ch) {
-  return IsInSet(ch, "^-!\"#$%&'()*+,./:;<=>?@[\\]_`{|}~");
-}
-bool IsRepeat(char ch) { return IsInSet(ch, "?*+"); }
-bool IsAsciiWhiteSpace(char ch) { return IsInSet(ch, " \f\n\r\t\v"); }
-bool IsAsciiWordChar(char ch) {
-  return ('a' <= ch && ch <= 'z') || ('A' <= ch && ch <= 'Z') ||
-      ('0' <= ch && ch <= '9') || ch == '_';
-}
-
-// Returns true iff "\\c" is a supported escape sequence.
-bool IsValidEscape(char c) {
-  return (IsAsciiPunct(c) || IsInSet(c, "dDfnrsStvwW"));
-}
-
-// Returns true iff the given atom (specified by escaped and pattern)
-// matches ch.  The result is undefined if the atom is invalid.
-bool AtomMatchesChar(bool escaped, char pattern_char, char ch) {
-  if (escaped) {  // "\\p" where p is pattern_char.
-    switch (pattern_char) {
-      case 'd': return IsAsciiDigit(ch);
-      case 'D': return !IsAsciiDigit(ch);
-      case 'f': return ch == '\f';
-      case 'n': return ch == '\n';
-      case 'r': return ch == '\r';
-      case 's': return IsAsciiWhiteSpace(ch);
-      case 'S': return !IsAsciiWhiteSpace(ch);
-      case 't': return ch == '\t';
-      case 'v': return ch == '\v';
-      case 'w': return IsAsciiWordChar(ch);
-      case 'W': return !IsAsciiWordChar(ch);
-    }
-    return IsAsciiPunct(pattern_char) && pattern_char == ch;
-  }
-
-  return (pattern_char == '.' && ch != '\n') || pattern_char == ch;
-}
-
-// Helper function used by ValidateRegex() to format error messages.
-std::string FormatRegexSyntaxError(const char* regex, int index) {
-  return (Message() << "Syntax error at index " << index
-          << " in simple regular expression \"" << regex << "\": ").GetString();
-}
-
-// Generates non-fatal failures and returns false if regex is invalid;
-// otherwise returns true.
-bool ValidateRegex(const char* regex) {
-  if (regex == NULL) {
-    // TODO(wan@google.com): fix the source file location in the
-    // assertion failures to match where the regex is used in user
-    // code.
-    ADD_FAILURE() << "NULL is not a valid simple regular expression.";
-    return false;
-  }
-
-  bool is_valid = true;
-
-  // True iff ?, *, or + can follow the previous atom.
-  bool prev_repeatable = false;
-  for (int i = 0; regex[i]; i++) {
-    if (regex[i] == '\\') {  // An escape sequence
-      i++;
-      if (regex[i] == '\0') {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i - 1)
-                      << "'\\' cannot appear at the end.";
-        return false;
-      }
-
-      if (!IsValidEscape(regex[i])) {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i - 1)
-                      << "invalid escape sequence \"\\" << regex[i] << "\".";
-        is_valid = false;
-      }
-      prev_repeatable = true;
-    } else {  // Not an escape sequence.
-      const char ch = regex[i];
-
-      if (ch == '^' && i > 0) {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
-                      << "'^' can only appear at the beginning.";
-        is_valid = false;
-      } else if (ch == '$' && regex[i + 1] != '\0') {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
-                      << "'$' can only appear at the end.";
-        is_valid = false;
-      } else if (IsInSet(ch, "()[]{}|")) {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
-                      << "'" << ch << "' is unsupported.";
-        is_valid = false;
-      } else if (IsRepeat(ch) && !prev_repeatable) {
-        ADD_FAILURE() << FormatRegexSyntaxError(regex, i)
-                      << "'" << ch << "' can only follow a repeatable token.";
-        is_valid = false;
-      }
-
-      prev_repeatable = !IsInSet(ch, "^$?*+");
-    }
-  }
-
-  return is_valid;
-}
-
-// Matches a repeated regex atom followed by a valid simple regular
-// expression.  The regex atom is defined as c if escaped is false,
-// or \c otherwise.  repeat is the repetition meta character (?, *,
-// or +).  The behavior is undefined if str contains too many
-// characters to be indexable by size_t, in which case the test will
-// probably time out anyway.  We are fine with this limitation as
-// std::string has it too.
-bool MatchRepetitionAndRegexAtHead(
-    bool escaped, char c, char repeat, const char* regex,
-    const char* str) {
-  const size_t min_count = (repeat == '+') ? 1 : 0;
-  const size_t max_count = (repeat == '?') ? 1 :
-      static_cast<size_t>(-1) - 1;
-  // We cannot call numeric_limits::max() as it conflicts with the
-  // max() macro on Windows.
-
-  for (size_t i = 0; i <= max_count; ++i) {
-    // We know that the atom matches each of the first i characters in str.
-    if (i >= min_count && MatchRegexAtHead(regex, str + i)) {
-      // We have enough matches at the head, and the tail matches too.
-      // Since we only care about *whether* the pattern matches str
-      // (as opposed to *how* it matches), there is no need to find a
-      // greedy match.
-      return true;
-    }
-    if (str[i] == '\0' || !AtomMatchesChar(escaped, c, str[i]))
-      return false;
-  }
-  return false;
-}
-
-// Returns true iff regex matches a prefix of str.  regex must be a
-// valid simple regular expression and not start with "^", or the
-// result is undefined.
-bool MatchRegexAtHead(const char* regex, const char* str) {
-  if (*regex == '\0')  // An empty regex matches a prefix of anything.
-    return true;
-
-  // "$" only matches the end of a string.  Note that regex being
-  // valid guarantees that there's nothing after "$" in it.
-  if (*regex == '$')
-    return *str == '\0';
-
-  // Is the first thing in regex an escape sequence?
-  const bool escaped = *regex == '\\';
-  if (escaped)
-    ++regex;
-  if (IsRepeat(regex[1])) {
-    // MatchRepetitionAndRegexAtHead() calls MatchRegexAtHead(), so
-    // here's an indirect recursion.  It terminates as the regex gets
-    // shorter in each recursion.
-    return MatchRepetitionAndRegexAtHead(
-        escaped, regex[0], regex[1], regex + 2, str);
-  } else {
-    // regex isn't empty, isn't "$", and doesn't start with a
-    // repetition.  We match the first atom of regex with the first
-    // character of str and recurse.
-    return (*str != '\0') && AtomMatchesChar(escaped, *regex, *str) &&
-        MatchRegexAtHead(regex + 1, str + 1);
-  }
-}
-
-// Returns true iff regex matches any substring of str.  regex must be
-// a valid simple regular expression, or the result is undefined.
-//
-// The algorithm is recursive, but the recursion depth doesn't exceed
-// the regex length, so we won't need to worry about running out of
-// stack space normally.  In rare cases the time complexity can be
-// exponential with respect to the regex length + the string length,
-// but usually it's must faster (often close to linear).
-bool MatchRegexAnywhere(const char* regex, const char* str) {
-  if (regex == NULL || str == NULL)
-    return false;
-
-  if (*regex == '^')
-    return MatchRegexAtHead(regex + 1, str);
-
-  // A successful match can be anywhere in str.
-  do {
-    if (MatchRegexAtHead(regex, str))
-      return true;
-  } while (*str++ != '\0');
-  return false;
-}
-
-// Implements the RE class.
-
-RE::~RE() {
-  free(const_cast<char*>(pattern_));
-  free(const_cast<char*>(full_pattern_));
-}
-
-// Returns true iff regular expression re matches the entire str.
-bool RE::FullMatch(const char* str, const RE& re) {
-  return re.is_valid_ && MatchRegexAnywhere(re.full_pattern_, str);
-}
-
-// Returns true iff regular expression re matches a substring of str
-// (including str itself).
-bool RE::PartialMatch(const char* str, const RE& re) {
-  return re.is_valid_ && MatchRegexAnywhere(re.pattern_, str);
-}
-
-// Initializes an RE from its string representation.
-void RE::Init(const char* regex) {
-  pattern_ = full_pattern_ = NULL;
-  if (regex != NULL) {
-    pattern_ = posix::StrDup(regex);
-  }
-
-  is_valid_ = ValidateRegex(regex);
-  if (!is_valid_) {
-    // No need to calculate the full pattern when the regex is invalid.
-    return;
-  }
-
-  const size_t len = strlen(regex);
-  // Reserves enough bytes to hold the regular expression used for a
-  // full match: we need space to prepend a '^', append a '$', and
-  // terminate the string with '\0'.
-  char* buffer = static_cast<char*>(malloc(len + 3));
-  full_pattern_ = buffer;
-
-  if (*regex != '^')
-    *buffer++ = '^';  // Makes sure full_pattern_ starts with '^'.
-
-  // We don't use snprintf or strncpy, as they trigger a warning when
-  // compiled with VC++ 8.0.
-  memcpy(buffer, regex, len);
-  buffer += len;
-
-  if (len == 0 || regex[len - 1] != '$')
-    *buffer++ = '$';  // Makes sure full_pattern_ ends with '$'.
-
-  *buffer = '\0';
-}
-
-#endif  // GTEST_USES_POSIX_RE
-
-const char kUnknownFile[] = "unknown file";
-
-// Formats a source file path and a line number as they would appear
-// in an error message from the compiler used to compile this code.
-GTEST_API_ ::std::string FormatFileLocation(const char* file, int line) {
-  const std::string file_name(file == NULL ? kUnknownFile : file);
-
-  if (line < 0) {
-    return file_name + ":";
-  }
-#ifdef _MSC_VER
-  return file_name + "(" + StreamableToString(line) + "):";
-#else
-  return file_name + ":" + StreamableToString(line) + ":";
-#endif  // _MSC_VER
-}
-
-// Formats a file location for compiler-independent XML output.
-// Although this function is not platform dependent, we put it next to
-// FormatFileLocation in order to contrast the two functions.
-// Note that FormatCompilerIndependentFileLocation() does NOT append colon
-// to the file location it produces, unlike FormatFileLocation().
-GTEST_API_ ::std::string FormatCompilerIndependentFileLocation(
-    const char* file, int line) {
-  const std::string file_name(file == NULL ? kUnknownFile : file);
-
-  if (line < 0)
-    return file_name;
-  else
-    return file_name + ":" + StreamableToString(line);
-}
-
-
-GTestLog::GTestLog(GTestLogSeverity severity, const char* file, int line)
-    : severity_(severity) {
-  const char* const marker =
-      severity == GTEST_INFO ?    "[  INFO ]" :
-      severity == GTEST_WARNING ? "[WARNING]" :
-      severity == GTEST_ERROR ?   "[ ERROR ]" : "[ FATAL ]";
-  GetStream() << ::std::endl << marker << " "
-              << FormatFileLocation(file, line).c_str() << ": ";
-}
-
-// Flushes the buffers and, if severity is GTEST_FATAL, aborts the program.
-GTestLog::~GTestLog() {
-  GetStream() << ::std::endl;
-  if (severity_ == GTEST_FATAL) {
-    fflush(stderr);
-    posix::Abort();
-  }
-}
-// Disable Microsoft deprecation warnings for POSIX functions called from
-// this class (creat, dup, dup2, and close)
-#ifdef _MSC_VER
-# pragma warning(push)
-# pragma warning(disable: 4996)
-#endif  // _MSC_VER
-
-#if GTEST_HAS_STREAM_REDIRECTION
-
-// Object that captures an output stream (stdout/stderr).
-class CapturedStream {
- public:
-  // The ctor redirects the stream to a temporary file.
-  explicit CapturedStream(int fd) : fd_(fd), uncaptured_fd_(dup(fd)) {
-# if GTEST_OS_WINDOWS
-    char temp_dir_path[MAX_PATH + 1] = { '\0' };  // NOLINT
-    char temp_file_path[MAX_PATH + 1] = { '\0' };  // NOLINT
-
-    ::GetTempPathA(sizeof(temp_dir_path), temp_dir_path);
-    const UINT success = ::GetTempFileNameA(temp_dir_path,
-                                            "gtest_redir",
-                                            0,  // Generate unique file name.
-                                            temp_file_path);
-    GTEST_CHECK_(success != 0)
-        << "Unable to create a temporary file in " << temp_dir_path;
-    const int captured_fd = creat(temp_file_path, _S_IREAD | _S_IWRITE);
-    GTEST_CHECK_(captured_fd != -1) << "Unable to open temporary file "
-                                    << temp_file_path;
-    filename_ = temp_file_path;
-# else
-    // There's no guarantee that a test has write access to the current
-    // directory, so we create the temporary file in the /tmp directory
-    // instead. We use /tmp on most systems, and /sdcard on Android.
-    // That's because Android doesn't have /tmp.
-#  if GTEST_OS_LINUX_ANDROID
-    // Note: Android applications are expected to call the framework's
-    // Context.getExternalStorageDirectory() method through JNI to get
-    // the location of the world-writable SD Card directory. However,
-    // this requires a Context handle, which cannot be retrieved
-    // globally from native code. Doing so also precludes running the
-    // code as part of a regular standalone executable, which doesn't
-    // run in a Dalvik process (e.g. when running it through 'adb shell').
-    //
-    // The location /sdcard is directly accessible from native code
-    // and is the only location (unofficially) supported by the Android
-    // team. It's generally a symlink to the real SD Card mount point
-    // which can be /mnt/sdcard, /mnt/sdcard0, /system/media/sdcard, or
-    // other OEM-customized locations. Never rely on these, and always
-    // use /sdcard.
-    char name_template[] = "/sdcard/gtest_captured_stream.XXXXXX";
-#  else
-    char name_template[] = "/tmp/captured_stream.XXXXXX";
-#  endif  // GTEST_OS_LINUX_ANDROID
-    const int captured_fd = mkstemp(name_template);
-    filename_ = name_template;
-# endif  // GTEST_OS_WINDOWS
-    fflush(NULL);
-    dup2(captured_fd, fd_);
-    close(captured_fd);
-  }
-
-  ~CapturedStream() {
-    remove(filename_.c_str());
-  }
-
-  std::string GetCapturedString() {
-    if (uncaptured_fd_ != -1) {
-      // Restores the original stream.
-      fflush(NULL);
-      dup2(uncaptured_fd_, fd_);
-      close(uncaptured_fd_);
-      uncaptured_fd_ = -1;
-    }
-
-    FILE* const file = posix::FOpen(filename_.c_str(), "r");
-    const std::string content = ReadEntireFile(file);
-    posix::FClose(file);
-    return content;
-  }
-
- private:
-  // Reads the entire content of a file as an std::string.
-  static std::string ReadEntireFile(FILE* file);
-
-  // Returns the size (in bytes) of a file.
-  static size_t GetFileSize(FILE* file);
-
-  const int fd_;  // A stream to capture.
-  int uncaptured_fd_;
-  // Name of the temporary file holding the stderr output.
-  ::std::string filename_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(CapturedStream);
-};
-
-// Returns the size (in bytes) of a file.
-size_t CapturedStream::GetFileSize(FILE* file) {
-  fseek(file, 0, SEEK_END);
-  return static_cast<size_t>(ftell(file));
-}
-
-// Reads the entire content of a file as a string.
-std::string CapturedStream::ReadEntireFile(FILE* file) {
-  const size_t file_size = GetFileSize(file);
-  char* const buffer = new char[file_size];
-
-  size_t bytes_last_read = 0;  // # of bytes read in the last fread()
-  size_t bytes_read = 0;       // # of bytes read so far
-
-  fseek(file, 0, SEEK_SET);
-
-  // Keeps reading the file until we cannot read further or the
-  // pre-determined file size is reached.
-  do {
-    bytes_last_read = fread(buffer+bytes_read, 1, file_size-bytes_read, file);
-    bytes_read += bytes_last_read;
-  } while (bytes_last_read > 0 && bytes_read < file_size);
-
-  const std::string content(buffer, bytes_read);
-  delete[] buffer;
-
-  return content;
-}
-
-# ifdef _MSC_VER
-#  pragma warning(pop)
-# endif  // _MSC_VER
-
-static CapturedStream* g_captured_stderr = NULL;
-static CapturedStream* g_captured_stdout = NULL;
-
-// Starts capturing an output stream (stdout/stderr).
-void CaptureStream(int fd, const char* stream_name, CapturedStream** stream) {
-  if (*stream != NULL) {
-    GTEST_LOG_(FATAL) << "Only one " << stream_name
-                      << " capturer can exist at a time.";
-  }
-  *stream = new CapturedStream(fd);
-}
-
-// Stops capturing the output stream and returns the captured string.
-std::string GetCapturedStream(CapturedStream** captured_stream) {
-  const std::string content = (*captured_stream)->GetCapturedString();
-
-  delete *captured_stream;
-  *captured_stream = NULL;
-
-  return content;
-}
-
-// Starts capturing stdout.
-void CaptureStdout() {
-  CaptureStream(kStdOutFileno, "stdout", &g_captured_stdout);
-}
-
-// Starts capturing stderr.
-void CaptureStderr() {
-  CaptureStream(kStdErrFileno, "stderr", &g_captured_stderr);
-}
-
-// Stops capturing stdout and returns the captured string.
-std::string GetCapturedStdout() {
-  return GetCapturedStream(&g_captured_stdout);
-}
-
-// Stops capturing stderr and returns the captured string.
-std::string GetCapturedStderr() {
-  return GetCapturedStream(&g_captured_stderr);
-}
-
-#endif  // GTEST_HAS_STREAM_REDIRECTION
-
-#if GTEST_HAS_DEATH_TEST
-
-// A copy of all command line arguments.  Set by InitGoogleTest().
-::std::vector<testing::internal::string> g_argvs;
-
-static const ::std::vector<testing::internal::string>* g_injected_test_argvs =
-                                        NULL;  // Owned.
-
-void SetInjectableArgvs(const ::std::vector<testing::internal::string>* argvs) {
-  if (g_injected_test_argvs != argvs)
-    delete g_injected_test_argvs;
-  g_injected_test_argvs = argvs;
-}
-
-const ::std::vector<testing::internal::string>& GetInjectableArgvs() {
-  if (g_injected_test_argvs != NULL) {
-    return *g_injected_test_argvs;
-  }
-  return g_argvs;
-}
-#endif  // GTEST_HAS_DEATH_TEST
-
-#if GTEST_OS_WINDOWS_MOBILE
-namespace posix {
-void Abort() {
-  DebugBreak();
-  TerminateProcess(GetCurrentProcess(), 1);
-}
-}  // namespace posix
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-// Returns the name of the environment variable corresponding to the
-// given flag.  For example, FlagToEnvVar("foo") will return
-// "GTEST_FOO" in the open-source version.
-static std::string FlagToEnvVar(const char* flag) {
-  const std::string full_flag =
-      (Message() << GTEST_FLAG_PREFIX_ << flag).GetString();
-
-  Message env_var;
-  for (size_t i = 0; i != full_flag.length(); i++) {
-    env_var << ToUpper(full_flag.c_str()[i]);
-  }
-
-  return env_var.GetString();
-}
-
-// Parses 'str' for a 32-bit signed integer.  If successful, writes
-// the result to *value and returns true; otherwise leaves *value
-// unchanged and returns false.
-bool ParseInt32(const Message& src_text, const char* str, Int32* value) {
-  // Parses the environment variable as a decimal integer.
-  char* end = NULL;
-  const long long_value = strtol(str, &end, 10);  // NOLINT
-
-  // Has strtol() consumed all characters in the string?
-  if (*end != '\0') {
-    // No - an invalid character was encountered.
-    Message msg;
-    msg << "WARNING: " << src_text
-        << " is expected to be a 32-bit integer, but actually"
-        << " has value \"" << str << "\".\n";
-    printf("%s", msg.GetString().c_str());
-    fflush(stdout);
-    return false;
-  }
-
-  // Is the parsed value in the range of an Int32?
-  const Int32 result = static_cast<Int32>(long_value);
-  if (long_value == LONG_MAX || long_value == LONG_MIN ||
-      // The parsed value overflows as a long.  (strtol() returns
-      // LONG_MAX or LONG_MIN when the input overflows.)
-      result != long_value
-      // The parsed value overflows as an Int32.
-      ) {
-    Message msg;
-    msg << "WARNING: " << src_text
-        << " is expected to be a 32-bit integer, but actually"
-        << " has value " << str << ", which overflows.\n";
-    printf("%s", msg.GetString().c_str());
-    fflush(stdout);
-    return false;
-  }
-
-  *value = result;
-  return true;
-}
-
-// Reads and returns the Boolean environment variable corresponding to
-// the given flag; if it's not set, returns default_value.
-//
-// The value is considered true iff it's not "0".
-bool BoolFromGTestEnv(const char* flag, bool default_value) {
-  const std::string env_var = FlagToEnvVar(flag);
-  const char* const string_value = posix::GetEnv(env_var.c_str());
-  return string_value == NULL ?
-      default_value : strcmp(string_value, "0") != 0;
-}
-
-// Reads and returns a 32-bit integer stored in the environment
-// variable corresponding to the given flag; if it isn't set or
-// doesn't represent a valid 32-bit integer, returns default_value.
-Int32 Int32FromGTestEnv(const char* flag, Int32 default_value) {
-  const std::string env_var = FlagToEnvVar(flag);
-  const char* const string_value = posix::GetEnv(env_var.c_str());
-  if (string_value == NULL) {
-    // The environment variable is not set.
-    return default_value;
-  }
-
-  Int32 result = default_value;
-  if (!ParseInt32(Message() << "Environment variable " << env_var,
-                  string_value, &result)) {
-    printf("The default value %s is used.\n",
-           (Message() << default_value).GetString().c_str());
-    fflush(stdout);
-    return default_value;
-  }
-
-  return result;
-}
-
-// Reads and returns the string environment variable corresponding to
-// the given flag; if it's not set, returns default_value.
-const char* StringFromGTestEnv(const char* flag, const char* default_value) {
-  const std::string env_var = FlagToEnvVar(flag);
-  const char* const value = posix::GetEnv(env_var.c_str());
-  return value == NULL ? default_value : value;
-}
-
-}  // namespace internal
-}  // namespace testing
-// Copyright 2007, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-// Google Test - The Google C++ Testing Framework
-//
-// This file implements a universal value printer that can print a
-// value of any type T:
-//
-//   void ::testing::internal::UniversalPrinter<T>::Print(value, ostream_ptr);
-//
-// It uses the << operator when possible, and prints the bytes in the
-// object otherwise.  A user can override its behavior for a class
-// type Foo by defining either operator<<(::std::ostream&, const Foo&)
-// or void PrintTo(const Foo&, ::std::ostream*) in the namespace that
-// defines Foo.
-
-#include <ctype.h>
-#include <stdio.h>
-#include <ostream>  // NOLINT
-#include <string>
-
-namespace testing {
-
-namespace {
-
-using ::std::ostream;
-
-// Prints a segment of bytes in the given object.
-void PrintByteSegmentInObjectTo(const unsigned char* obj_bytes, size_t start,
-                                size_t count, ostream* os) {
-  char text[5] = "";
-  for (size_t i = 0; i != count; i++) {
-    const size_t j = start + i;
-    if (i != 0) {
-      // Organizes the bytes into groups of 2 for easy parsing by
-      // human.
-      if ((j % 2) == 0)
-        *os << ' ';
-      else
-        *os << '-';
-    }
-    GTEST_SNPRINTF_(text, sizeof(text), "%02X", obj_bytes[j]);
-    *os << text;
-  }
-}
-
-// Prints the bytes in the given value to the given ostream.
-void PrintBytesInObjectToImpl(const unsigned char* obj_bytes, size_t count,
-                              ostream* os) {
-  // Tells the user how big the object is.
-  *os << count << "-byte object <";
-
-  const size_t kThreshold = 132;
-  const size_t kChunkSize = 64;
-  // If the object size is bigger than kThreshold, we'll have to omit
-  // some details by printing only the first and the last kChunkSize
-  // bytes.
-  // TODO(wan): let the user control the threshold using a flag.
-  if (count < kThreshold) {
-    PrintByteSegmentInObjectTo(obj_bytes, 0, count, os);
-  } else {
-    PrintByteSegmentInObjectTo(obj_bytes, 0, kChunkSize, os);
-    *os << " ... ";
-    // Rounds up to 2-byte boundary.
-    const size_t resume_pos = (count - kChunkSize + 1)/2*2;
-    PrintByteSegmentInObjectTo(obj_bytes, resume_pos, count - resume_pos, os);
-  }
-  *os << ">";
-}
-
-}  // namespace
-
-namespace internal2 {
-
-// Delegates to PrintBytesInObjectToImpl() to print the bytes in the
-// given object.  The delegation simplifies the implementation, which
-// uses the << operator and thus is easier done outside of the
-// ::testing::internal namespace, which contains a << operator that
-// sometimes conflicts with the one in STL.
-void PrintBytesInObjectTo(const unsigned char* obj_bytes, size_t count,
-                          ostream* os) {
-  PrintBytesInObjectToImpl(obj_bytes, count, os);
-}
-
-}  // namespace internal2
-
-namespace internal {
-
-// Depending on the value of a char (or wchar_t), we print it in one
-// of three formats:
-//   - as is if it's a printable ASCII (e.g. 'a', '2', ' '),
-//   - as a hexidecimal escape sequence (e.g. '\x7F'), or
-//   - as a special escape sequence (e.g. '\r', '\n').
-enum CharFormat {
-  kAsIs,
-  kHexEscape,
-  kSpecialEscape
-};
-
-// Returns true if c is a printable ASCII character.  We test the
-// value of c directly instead of calling isprint(), which is buggy on
-// Windows Mobile.
-inline bool IsPrintableAscii(wchar_t c) {
-  return 0x20 <= c && c <= 0x7E;
-}
-
-// Prints a wide or narrow char c as a character literal without the
-// quotes, escaping it when necessary; returns how c was formatted.
-// The template argument UnsignedChar is the unsigned version of Char,
-// which is the type of c.
-template <typename UnsignedChar, typename Char>
-static CharFormat PrintAsCharLiteralTo(Char c, ostream* os) {
-  switch (static_cast<wchar_t>(c)) {
-    case L'\0':
-      *os << "\\0";
-      break;
-    case L'\'':
-      *os << "\\'";
-      break;
-    case L'\\':
-      *os << "\\\\";
-      break;
-    case L'\a':
-      *os << "\\a";
-      break;
-    case L'\b':
-      *os << "\\b";
-      break;
-    case L'\f':
-      *os << "\\f";
-      break;
-    case L'\n':
-      *os << "\\n";
-      break;
-    case L'\r':
-      *os << "\\r";
-      break;
-    case L'\t':
-      *os << "\\t";
-      break;
-    case L'\v':
-      *os << "\\v";
-      break;
-    default:
-      if (IsPrintableAscii(c)) {
-        *os << static_cast<char>(c);
-        return kAsIs;
-      } else {
-        *os << "\\x" + String::FormatHexInt(static_cast<UnsignedChar>(c));
-        return kHexEscape;
-      }
-  }
-  return kSpecialEscape;
-}
-
-// Prints a wchar_t c as if it's part of a string literal, escaping it when
-// necessary; returns how c was formatted.
-static CharFormat PrintAsStringLiteralTo(wchar_t c, ostream* os) {
-  switch (c) {
-    case L'\'':
-      *os << "'";
-      return kAsIs;
-    case L'"':
-      *os << "\\\"";
-      return kSpecialEscape;
-    default:
-      return PrintAsCharLiteralTo<wchar_t>(c, os);
-  }
-}
-
-// Prints a char c as if it's part of a string literal, escaping it when
-// necessary; returns how c was formatted.
-static CharFormat PrintAsStringLiteralTo(char c, ostream* os) {
-  return PrintAsStringLiteralTo(
-      static_cast<wchar_t>(static_cast<unsigned char>(c)), os);
-}
-
-// Prints a wide or narrow character c and its code.  '\0' is printed
-// as "'\\0'", other unprintable characters are also properly escaped
-// using the standard C++ escape sequence.  The template argument
-// UnsignedChar is the unsigned version of Char, which is the type of c.
-template <typename UnsignedChar, typename Char>
-void PrintCharAndCodeTo(Char c, ostream* os) {
-  // First, print c as a literal in the most readable form we can find.
-  *os << ((sizeof(c) > 1) ? "L'" : "'");
-  const CharFormat format = PrintAsCharLiteralTo<UnsignedChar>(c, os);
-  *os << "'";
-
-  // To aid user debugging, we also print c's code in decimal, unless
-  // it's 0 (in which case c was printed as '\\0', making the code
-  // obvious).
-  if (c == 0)
-    return;
-  *os << " (" << static_cast<int>(c);
-
-  // For more convenience, we print c's code again in hexidecimal,
-  // unless c was already printed in the form '\x##' or the code is in
-  // [1, 9].
-  if (format == kHexEscape || (1 <= c && c <= 9)) {
-    // Do nothing.
-  } else {
-    *os << ", 0x" << String::FormatHexInt(static_cast<UnsignedChar>(c));
-  }
-  *os << ")";
-}
-
-void PrintTo(unsigned char c, ::std::ostream* os) {
-  PrintCharAndCodeTo<unsigned char>(c, os);
-}
-void PrintTo(signed char c, ::std::ostream* os) {
-  PrintCharAndCodeTo<unsigned char>(c, os);
-}
-
-// Prints a wchar_t as a symbol if it is printable or as its internal
-// code otherwise and also as its code.  L'\0' is printed as "L'\\0'".
-void PrintTo(wchar_t wc, ostream* os) {
-  PrintCharAndCodeTo<wchar_t>(wc, os);
-}
-
-// Prints the given array of characters to the ostream.  CharType must be either
-// char or wchar_t.
-// The array starts at begin, the length is len, it may include '\0' characters
-// and may not be NUL-terminated.
-template <typename CharType>
-static void PrintCharsAsStringTo(
-    const CharType* begin, size_t len, ostream* os) {
-  const char* const kQuoteBegin = sizeof(CharType) == 1 ? "\"" : "L\"";
-  *os << kQuoteBegin;
-  bool is_previous_hex = false;
-  for (size_t index = 0; index < len; ++index) {
-    const CharType cur = begin[index];
-    if (is_previous_hex && IsXDigit(cur)) {
-      // Previous character is of '\x..' form and this character can be
-      // interpreted as another hexadecimal digit in its number. Break string to
-      // disambiguate.
-      *os << "\" " << kQuoteBegin;
-    }
-    is_previous_hex = PrintAsStringLiteralTo(cur, os) == kHexEscape;
-  }
-  *os << "\"";
-}
-
-// Prints a (const) char/wchar_t array of 'len' elements, starting at address
-// 'begin'.  CharType must be either char or wchar_t.
-template <typename CharType>
-static void UniversalPrintCharArray(
-    const CharType* begin, size_t len, ostream* os) {
-  // The code
-  //   const char kFoo[] = "foo";
-  // generates an array of 4, not 3, elements, with the last one being '\0'.
-  //
-  // Therefore when printing a char array, we don't print the last element if
-  // it's '\0', such that the output matches the string literal as it's
-  // written in the source code.
-  if (len > 0 && begin[len - 1] == '\0') {
-    PrintCharsAsStringTo(begin, len - 1, os);
-    return;
-  }
-
-  // If, however, the last element in the array is not '\0', e.g.
-  //    const char kFoo[] = { 'f', 'o', 'o' };
-  // we must print the entire array.  We also print a message to indicate
-  // that the array is not NUL-terminated.
-  PrintCharsAsStringTo(begin, len, os);
-  *os << " (no terminating NUL)";
-}
-
-// Prints a (const) char array of 'len' elements, starting at address 'begin'.
-void UniversalPrintArray(const char* begin, size_t len, ostream* os) {
-  UniversalPrintCharArray(begin, len, os);
-}
-
-// Prints a (const) wchar_t array of 'len' elements, starting at address
-// 'begin'.
-void UniversalPrintArray(const wchar_t* begin, size_t len, ostream* os) {
-  UniversalPrintCharArray(begin, len, os);
-}
-
-// Prints the given C string to the ostream.
-void PrintTo(const char* s, ostream* os) {
-  if (s == NULL) {
-    *os << "NULL";
-  } else {
-    *os << ImplicitCast_<const void*>(s) << " pointing to ";
-    PrintCharsAsStringTo(s, strlen(s), os);
-  }
-}
-
-// MSVC compiler can be configured to define whar_t as a typedef
-// of unsigned short. Defining an overload for const wchar_t* in that case
-// would cause pointers to unsigned shorts be printed as wide strings,
-// possibly accessing more memory than intended and causing invalid
-// memory accesses. MSVC defines _NATIVE_WCHAR_T_DEFINED symbol when
-// wchar_t is implemented as a native type.
-#if !defined(_MSC_VER) || defined(_NATIVE_WCHAR_T_DEFINED)
-// Prints the given wide C string to the ostream.
-void PrintTo(const wchar_t* s, ostream* os) {
-  if (s == NULL) {
-    *os << "NULL";
-  } else {
-    *os << ImplicitCast_<const void*>(s) << " pointing to ";
-    PrintCharsAsStringTo(s, wcslen(s), os);
-  }
-}
-#endif  // wchar_t is native
-
-// Prints a ::string object.
-#if GTEST_HAS_GLOBAL_STRING
-void PrintStringTo(const ::string& s, ostream* os) {
-  PrintCharsAsStringTo(s.data(), s.size(), os);
-}
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-void PrintStringTo(const ::std::string& s, ostream* os) {
-  PrintCharsAsStringTo(s.data(), s.size(), os);
-}
-
-// Prints a ::wstring object.
-#if GTEST_HAS_GLOBAL_WSTRING
-void PrintWideStringTo(const ::wstring& s, ostream* os) {
-  PrintCharsAsStringTo(s.data(), s.size(), os);
-}
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-#if GTEST_HAS_STD_WSTRING
-void PrintWideStringTo(const ::std::wstring& s, ostream* os) {
-  PrintCharsAsStringTo(s.data(), s.size(), os);
-}
-#endif  // GTEST_HAS_STD_WSTRING
-
-}  // namespace internal
-
-}  // namespace testing
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: mheule@google.com (Markus Heule)
-//
-// The Google C++ Testing Framework (Google Test)
-
-
-// Indicates that this translation unit is part of Google Test's
-// implementation.  It must come before gtest-internal-inl.h is
-// included, or there will be a compiler error.  This trick is to
-// prevent a user from accidentally including gtest-internal-inl.h in
-// his code.
-#define GTEST_IMPLEMENTATION_ 1
-#undef GTEST_IMPLEMENTATION_
-
-namespace testing {
-
-using internal::GetUnitTestImpl;
-
-// Gets the summary of the failure message by omitting the stack trace
-// in it.
-std::string TestPartResult::ExtractSummary(const char* message) {
-  const char* const stack_trace = strstr(message, internal::kStackTraceMarker);
-  return stack_trace == NULL ? message :
-      std::string(message, stack_trace);
-}
-
-// Prints a TestPartResult object.
-std::ostream& operator<<(std::ostream& os, const TestPartResult& result) {
-  return os
-      << result.file_name() << ":" << result.line_number() << ": "
-      << (result.type() == TestPartResult::kSuccess ? "Success" :
-          result.type() == TestPartResult::kFatalFailure ? "Fatal failure" :
-          "Non-fatal failure") << ":\n"
-      << result.message() << std::endl;
-}
-
-// Appends a TestPartResult to the array.
-void TestPartResultArray::Append(const TestPartResult& result) {
-  array_.push_back(result);
-}
-
-// Returns the TestPartResult at the given index (0-based).
-const TestPartResult& TestPartResultArray::GetTestPartResult(int index) const {
-  if (index < 0 || index >= size()) {
-    printf("\nInvalid index (%d) into TestPartResultArray.\n", index);
-    internal::posix::Abort();
-  }
-
-  return array_[index];
-}
-
-// Returns the number of TestPartResult objects in the array.
-int TestPartResultArray::size() const {
-  return static_cast<int>(array_.size());
-}
-
-namespace internal {
-
-HasNewFatalFailureHelper::HasNewFatalFailureHelper()
-    : has_new_fatal_failure_(false),
-      original_reporter_(GetUnitTestImpl()->
-                         GetTestPartResultReporterForCurrentThread()) {
-  GetUnitTestImpl()->SetTestPartResultReporterForCurrentThread(this);
-}
-
-HasNewFatalFailureHelper::~HasNewFatalFailureHelper() {
-  GetUnitTestImpl()->SetTestPartResultReporterForCurrentThread(
-      original_reporter_);
-}
-
-void HasNewFatalFailureHelper::ReportTestPartResult(
-    const TestPartResult& result) {
-  if (result.fatally_failed())
-    has_new_fatal_failure_ = true;
-  original_reporter_->ReportTestPartResult(result);
-}
-
-}  // namespace internal
-
-}  // namespace testing
-// Copyright 2008 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-
-namespace testing {
-namespace internal {
-
-#if GTEST_HAS_TYPED_TEST_P
-
-// Skips to the first non-space char in str. Returns an empty string if str
-// contains only whitespace characters.
-static const char* SkipSpaces(const char* str) {
-  while (IsSpace(*str))
-    str++;
-  return str;
-}
-
-// Verifies that registered_tests match the test names in
-// defined_test_names_; returns registered_tests if successful, or
-// aborts the program otherwise.
-const char* TypedTestCasePState::VerifyRegisteredTestNames(
-    const char* file, int line, const char* registered_tests) {
-  typedef ::std::set<const char*>::const_iterator DefinedTestIter;
-  registered_ = true;
-
-  // Skip initial whitespace in registered_tests since some
-  // preprocessors prefix stringizied literals with whitespace.
-  registered_tests = SkipSpaces(registered_tests);
-
-  Message errors;
-  ::std::set<std::string> tests;
-  for (const char* names = registered_tests; names != NULL;
-       names = SkipComma(names)) {
-    const std::string name = GetPrefixUntilComma(names);
-    if (tests.count(name) != 0) {
-      errors << "Test " << name << " is listed more than once.\n";
-      continue;
-    }
-
-    bool found = false;
-    for (DefinedTestIter it = defined_test_names_.begin();
-         it != defined_test_names_.end();
-         ++it) {
-      if (name == *it) {
-        found = true;
-        break;
-      }
-    }
-
-    if (found) {
-      tests.insert(name);
-    } else {
-      errors << "No test named " << name
-             << " can be found in this test case.\n";
-    }
-  }
-
-  for (DefinedTestIter it = defined_test_names_.begin();
-       it != defined_test_names_.end();
-       ++it) {
-    if (tests.count(*it) == 0) {
-      errors << "You forgot to list test " << *it << ".\n";
-    }
-  }
-
-  const std::string& errors_str = errors.GetString();
-  if (errors_str != "") {
-    fprintf(stderr, "%s %s", FormatFileLocation(file, line).c_str(),
-            errors_str.c_str());
-    fflush(stderr);
-    posix::Abort();
-  }
-
-  return registered_tests;
-}
-
-#endif  // GTEST_HAS_TYPED_TEST_P
-
-}  // namespace internal
-}  // namespace testing
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h b/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
deleted file mode 120000
index 48d39090f1..0000000000
--- a/lib/kokkos/tpls/gtest/gtest/gtest-test-part.h
+++ /dev/null
@@ -1 +0,0 @@
-gtest.h
\ No newline at end of file
diff --git a/lib/kokkos/tpls/gtest/gtest/gtest.h b/lib/kokkos/tpls/gtest/gtest/gtest.h
deleted file mode 100644
index 8f98f330ed..0000000000
--- a/lib/kokkos/tpls/gtest/gtest/gtest.h
+++ /dev/null
@@ -1,20065 +0,0 @@
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file defines the public API for Google Test.  It should be
-// included by any test program that uses Google Test.
-//
-// IMPORTANT NOTE: Due to limitation of the C++ language, we have to
-// leave some internal implementation details in this header file.
-// They are clearly marked by comments like this:
-//
-//   // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-//
-// Such code is NOT meant to be used by a user directly, and is subject
-// to CHANGE WITHOUT NOTICE.  Therefore DO NOT DEPEND ON IT in a user
-// program!
-//
-// Acknowledgment: Google Test borrowed the idea of automatic test
-// registration from Barthelemy Dagenais' (barthelemy@prologique.com)
-// easyUnit framework.
-
-#ifdef __GNUC__
-#pragma GCC system_header
-#endif
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_H_
-#define GTEST_INCLUDE_GTEST_GTEST_H_
-
-#include <limits>
-#include <ostream>
-#include <vector>
-
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file declares functions and macros used internally by
-// Google Test.  They are subject to change without notice.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
-
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: wan@google.com (Zhanyong Wan)
-//
-// Low-level types and utilities for porting Google Test to various
-// platforms.  They are subject to change without notice.  DO NOT USE
-// THEM IN USER CODE.
-//
-// This file is fundamental to Google Test.  All other Google Test source
-// files are expected to #include this.  Therefore, it cannot #include
-// any other Google Test header.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
-
-// The user can define the following macros in the build script to
-// control Google Test's behavior.  If the user doesn't define a macro
-// in this list, Google Test will define it.
-//
-//   GTEST_HAS_CLONE          - Define it to 1/0 to indicate that clone(2)
-//                              is/isn't available.
-//   GTEST_HAS_EXCEPTIONS     - Define it to 1/0 to indicate that exceptions
-//                              are enabled.
-//   GTEST_HAS_GLOBAL_STRING  - Define it to 1/0 to indicate that ::string
-//                              is/isn't available (some systems define
-//                              ::string, which is different to std::string).
-//   GTEST_HAS_GLOBAL_WSTRING - Define it to 1/0 to indicate that ::string
-//                              is/isn't available (some systems define
-//                              ::wstring, which is different to std::wstring).
-//   GTEST_HAS_POSIX_RE       - Define it to 1/0 to indicate that POSIX regular
-//                              expressions are/aren't available.
-//   GTEST_HAS_PTHREAD        - Define it to 1/0 to indicate that <pthread.h>
-//                              is/isn't available.
-//   GTEST_HAS_RTTI           - Define it to 1/0 to indicate that RTTI is/isn't
-//                              enabled.
-//   GTEST_HAS_STD_WSTRING    - Define it to 1/0 to indicate that
-//                              std::wstring does/doesn't work (Google Test can
-//                              be used where std::wstring is unavailable).
-//   GTEST_HAS_TR1_TUPLE      - Define it to 1/0 to indicate tr1::tuple
-//                              is/isn't available.
-//   GTEST_HAS_SEH            - Define it to 1/0 to indicate whether the
-//                              compiler supports Microsoft's "Structured
-//                              Exception Handling".
-//   GTEST_HAS_STREAM_REDIRECTION
-//                            - Define it to 1/0 to indicate whether the
-//                              platform supports I/O stream redirection using
-//                              dup() and dup2().
-//   GTEST_USE_OWN_TR1_TUPLE  - Define it to 1/0 to indicate whether Google
-//                              Test's own tr1 tuple implementation should be
-//                              used.  Unused when the user sets
-//                              GTEST_HAS_TR1_TUPLE to 0.
-//   GTEST_LANG_CXX11         - Define it to 1/0 to indicate that Google Test
-//                              is building in C++11/C++98 mode.
-//   GTEST_LINKED_AS_SHARED_LIBRARY
-//                            - Define to 1 when compiling tests that use
-//                              Google Test as a shared library (known as
-//                              DLL on Windows).
-//   GTEST_CREATE_SHARED_LIBRARY
-//                            - Define to 1 when compiling Google Test itself
-//                              as a shared library.
-
-// This header defines the following utilities:
-//
-// Macros indicating the current platform (defined to 1 if compiled on
-// the given platform; otherwise undefined):
-//   GTEST_OS_AIX      - IBM AIX
-//   GTEST_OS_CYGWIN   - Cygwin
-//   GTEST_OS_HPUX     - HP-UX
-//   GTEST_OS_LINUX    - Linux
-//     GTEST_OS_LINUX_ANDROID - Google Android
-//   GTEST_OS_MAC      - Mac OS X
-//     GTEST_OS_IOS    - iOS
-//       GTEST_OS_IOS_SIMULATOR - iOS simulator
-//   GTEST_OS_NACL     - Google Native Client (NaCl)
-//   GTEST_OS_OPENBSD  - OpenBSD
-//   GTEST_OS_QNX      - QNX
-//   GTEST_OS_SOLARIS  - Sun Solaris
-//   GTEST_OS_SYMBIAN  - Symbian
-//   GTEST_OS_WINDOWS  - Windows (Desktop, MinGW, or Mobile)
-//     GTEST_OS_WINDOWS_DESKTOP  - Windows Desktop
-//     GTEST_OS_WINDOWS_MINGW    - MinGW
-//     GTEST_OS_WINDOWS_MOBILE   - Windows Mobile
-//   GTEST_OS_ZOS      - z/OS
-//
-// Among the platforms, Cygwin, Linux, Max OS X, and Windows have the
-// most stable support.  Since core members of the Google Test project
-// don't have access to other platforms, support for them may be less
-// stable.  If you notice any problems on your platform, please notify
-// googletestframework@googlegroups.com (patches for fixing them are
-// even more welcome!).
-//
-// Note that it is possible that none of the GTEST_OS_* macros are defined.
-//
-// Macros indicating available Google Test features (defined to 1 if
-// the corresponding feature is supported; otherwise undefined):
-//   GTEST_HAS_COMBINE      - the Combine() function (for value-parameterized
-//                            tests)
-//   GTEST_HAS_DEATH_TEST   - death tests
-//   GTEST_HAS_PARAM_TEST   - value-parameterized tests
-//   GTEST_HAS_TYPED_TEST   - typed tests
-//   GTEST_HAS_TYPED_TEST_P - type-parameterized tests
-//   GTEST_USES_POSIX_RE    - enhanced POSIX regex is used. Do not confuse with
-//                            GTEST_HAS_POSIX_RE (see above) which users can
-//                            define themselves.
-//   GTEST_USES_SIMPLE_RE   - our own simple regex is used;
-//                            the above two are mutually exclusive.
-//   GTEST_CAN_COMPARE_NULL - accepts untyped NULL in EXPECT_EQ().
-//
-// Macros for basic C++ coding:
-//   GTEST_AMBIGUOUS_ELSE_BLOCKER_ - for disabling a gcc warning.
-//   GTEST_ATTRIBUTE_UNUSED_  - declares that a class' instances or a
-//                              variable don't have to be used.
-//   GTEST_DISALLOW_ASSIGN_   - disables operator=.
-//   GTEST_DISALLOW_COPY_AND_ASSIGN_ - disables copy ctor and operator=.
-//   GTEST_MUST_USE_RESULT_   - declares that a function's result must be used.
-//
-// Synchronization:
-//   Mutex, MutexLock, ThreadLocal, GetThreadCount()
-//                  - synchronization primitives.
-//   GTEST_IS_THREADSAFE - defined to 1 to indicate that the above
-//                         synchronization primitives have real implementations
-//                         and Google Test is thread-safe; or 0 otherwise.
-//
-// Template meta programming:
-//   is_pointer     - as in TR1; needed on Symbian and IBM XL C/C++ only.
-//   IteratorTraits - partial implementation of std::iterator_traits, which
-//                    is not available in libCstd when compiled with Sun C++.
-//
-// Smart pointers:
-//   scoped_ptr     - as in TR2.
-//
-// Regular expressions:
-//   RE             - a simple regular expression class using the POSIX
-//                    Extended Regular Expression syntax on UNIX-like
-//                    platforms, or a reduced regular exception syntax on
-//                    other platforms, including Windows.
-//
-// Logging:
-//   GTEST_LOG_()   - logs messages at the specified severity level.
-//   LogToStderr()  - directs all log messages to stderr.
-//   FlushInfoLog() - flushes informational log messages.
-//
-// Stdout and stderr capturing:
-//   CaptureStdout()     - starts capturing stdout.
-//   GetCapturedStdout() - stops capturing stdout and returns the captured
-//                         string.
-//   CaptureStderr()     - starts capturing stderr.
-//   GetCapturedStderr() - stops capturing stderr and returns the captured
-//                         string.
-//
-// Integer types:
-//   TypeWithSize   - maps an integer to a int type.
-//   Int32, UInt32, Int64, UInt64, TimeInMillis
-//                  - integers of known sizes.
-//   BiggestInt     - the biggest signed integer type.
-//
-// Command-line utilities:
-//   GTEST_FLAG()       - references a flag.
-//   GTEST_DECLARE_*()  - declares a flag.
-//   GTEST_DEFINE_*()   - defines a flag.
-//   GetInjectableArgvs() - returns the command line as a vector of strings.
-//
-// Environment variable utilities:
-//   GetEnv()             - gets the value of an environment variable.
-//   BoolFromGTestEnv()   - parses a bool environment variable.
-//   Int32FromGTestEnv()  - parses an Int32 environment variable.
-//   StringFromGTestEnv() - parses a string environment variable.
-
-#include <ctype.h>   // for isspace, etc
-#include <stddef.h>  // for ptrdiff_t
-#include <stdlib.h>
-#include <stdio.h>
-#include <string.h>
-#ifndef _WIN32_WCE
-# include <sys/types.h>
-# include <sys/stat.h>
-#endif  // !_WIN32_WCE
-
-#if defined __APPLE__
-# include <AvailabilityMacros.h>
-# include <TargetConditionals.h>
-#endif
-
-#include <iostream>  // NOLINT
-#include <sstream>  // NOLINT
-#include <string>  // NOLINT
-
-#define GTEST_DEV_EMAIL_ "googletestframework@@googlegroups.com"
-#define GTEST_FLAG_PREFIX_ "gtest_"
-#define GTEST_FLAG_PREFIX_DASH_ "gtest-"
-#define GTEST_FLAG_PREFIX_UPPER_ "GTEST_"
-#define GTEST_NAME_ "Google Test"
-#define GTEST_PROJECT_URL_ "http://code.google.com/p/googletest/"
-
-// Determines the version of gcc that is used to compile this.
-#ifdef __GNUC__
-// 40302 means version 4.3.2.
-# define GTEST_GCC_VER_ \
-    (__GNUC__*10000 + __GNUC_MINOR__*100 + __GNUC_PATCHLEVEL__)
-#endif  // __GNUC__
-
-// Determines the platform on which Google Test is compiled.
-#ifdef __CYGWIN__
-# define GTEST_OS_CYGWIN 1
-#elif defined __SYMBIAN32__
-# define GTEST_OS_SYMBIAN 1
-#elif defined _WIN32
-# define GTEST_OS_WINDOWS 1
-# ifdef _WIN32_WCE
-#  define GTEST_OS_WINDOWS_MOBILE 1
-# elif defined(__MINGW__) || defined(__MINGW32__)
-#  define GTEST_OS_WINDOWS_MINGW 1
-# else
-#  define GTEST_OS_WINDOWS_DESKTOP 1
-# endif  // _WIN32_WCE
-#elif defined __APPLE__
-# define GTEST_OS_MAC 1
-# if TARGET_OS_IPHONE
-#  define GTEST_OS_IOS 1
-#  if TARGET_IPHONE_SIMULATOR
-#   define GTEST_OS_IOS_SIMULATOR 1
-#  endif
-# endif
-#elif defined __linux__
-# define GTEST_OS_LINUX 1
-# if defined __ANDROID__
-#  define GTEST_OS_LINUX_ANDROID 1
-# endif
-#elif defined __MVS__
-# define GTEST_OS_ZOS 1
-#elif defined(__sun) && defined(__SVR4)
-# define GTEST_OS_SOLARIS 1
-#elif defined(_AIX)
-# define GTEST_OS_AIX 1
-#elif defined(__hpux)
-# define GTEST_OS_HPUX 1
-#elif defined __native_client__
-# define GTEST_OS_NACL 1
-#elif defined __OpenBSD__
-# define GTEST_OS_OPENBSD 1
-#elif defined __QNX__
-# define GTEST_OS_QNX 1
-#endif  // __CYGWIN__
-
-#ifndef GTEST_LANG_CXX11
-// gcc and clang define __GXX_EXPERIMENTAL_CXX0X__ when
-// -std={c,gnu}++{0x,11} is passed.  The C++11 standard specifies a
-// value for __cplusplus, and recent versions of clang, gcc, and
-// probably other compilers set that too in C++11 mode.
-# if __GXX_EXPERIMENTAL_CXX0X__ || __cplusplus >= 201103L
-// Compiling in at least C++11 mode.
-#  define GTEST_LANG_CXX11 1
-# else
-#  define GTEST_LANG_CXX11 0
-# endif
-#endif
-
-// Brings in definitions for functions used in the testing::internal::posix
-// namespace (read, write, close, chdir, isatty, stat). We do not currently
-// use them on Windows Mobile.
-#if !GTEST_OS_WINDOWS
-// This assumes that non-Windows OSes provide unistd.h. For OSes where this
-// is not the case, we need to include headers that provide the functions
-// mentioned above.
-# include <unistd.h>
-# include <strings.h>
-#elif !GTEST_OS_WINDOWS_MOBILE
-# include <direct.h>
-# include <io.h>
-#endif
-
-#if GTEST_OS_LINUX_ANDROID
-// Used to define __ANDROID_API__ matching the target NDK API level.
-#  include <android/api-level.h>  // NOLINT
-#endif
-
-// Defines this to true iff Google Test can use POSIX regular expressions.
-#ifndef GTEST_HAS_POSIX_RE
-# if GTEST_OS_LINUX_ANDROID
-// On Android, <regex.h> is only available starting with Gingerbread.
-#  define GTEST_HAS_POSIX_RE (__ANDROID_API__ >= 9)
-# else
-#  define GTEST_HAS_POSIX_RE (!GTEST_OS_WINDOWS)
-# endif
-#endif
-
-#if GTEST_HAS_POSIX_RE
-
-// On some platforms, <regex.h> needs someone to define size_t, and
-// won't compile otherwise.  We can #include it here as we already
-// included <stdlib.h>, which is guaranteed to define size_t through
-// <stddef.h>.
-# include <regex.h>  // NOLINT
-
-# define GTEST_USES_POSIX_RE 1
-
-#elif GTEST_OS_WINDOWS
-
-// <regex.h> is not available on Windows.  Use our own simple regex
-// implementation instead.
-# define GTEST_USES_SIMPLE_RE 1
-
-#else
-
-// <regex.h> may not be available on this platform.  Use our own
-// simple regex implementation instead.
-# define GTEST_USES_SIMPLE_RE 1
-
-#endif  // GTEST_HAS_POSIX_RE
-
-#ifndef GTEST_HAS_EXCEPTIONS
-// The user didn't tell us whether exceptions are enabled, so we need
-// to figure it out.
-# if defined(_MSC_VER) || defined(__BORLANDC__)
-// MSVC's and C++Builder's implementations of the STL use the _HAS_EXCEPTIONS
-// macro to enable exceptions, so we'll do the same.
-// Assumes that exceptions are enabled by default.
-#  ifndef _HAS_EXCEPTIONS
-#   define _HAS_EXCEPTIONS 1
-#  endif  // _HAS_EXCEPTIONS
-#  define GTEST_HAS_EXCEPTIONS _HAS_EXCEPTIONS
-# elif defined(__GNUC__) && __EXCEPTIONS
-// gcc defines __EXCEPTIONS to 1 iff exceptions are enabled.
-#  define GTEST_HAS_EXCEPTIONS 1
-# elif defined(__SUNPRO_CC)
-// Sun Pro CC supports exceptions.  However, there is no compile-time way of
-// detecting whether they are enabled or not.  Therefore, we assume that
-// they are enabled unless the user tells us otherwise.
-#  define GTEST_HAS_EXCEPTIONS 1
-# elif defined(__IBMCPP__) && __EXCEPTIONS
-// xlC defines __EXCEPTIONS to 1 iff exceptions are enabled.
-#  define GTEST_HAS_EXCEPTIONS 1
-# elif defined(__HP_aCC)
-// Exception handling is in effect by default in HP aCC compiler. It has to
-// be turned of by +noeh compiler option if desired.
-#  define GTEST_HAS_EXCEPTIONS 1
-# else
-// For other compilers, we assume exceptions are disabled to be
-// conservative.
-#  define GTEST_HAS_EXCEPTIONS 0
-# endif  // defined(_MSC_VER) || defined(__BORLANDC__)
-#endif  // GTEST_HAS_EXCEPTIONS
-
-#if !defined(GTEST_HAS_STD_STRING)
-// Even though we don't use this macro any longer, we keep it in case
-// some clients still depend on it.
-# define GTEST_HAS_STD_STRING 1
-#elif !GTEST_HAS_STD_STRING
-// The user told us that ::std::string isn't available.
-# error "Google Test cannot be used where ::std::string isn't available."
-#endif  // !defined(GTEST_HAS_STD_STRING)
-
-#ifndef GTEST_HAS_GLOBAL_STRING
-// The user didn't tell us whether ::string is available, so we need
-// to figure it out.
-
-# define GTEST_HAS_GLOBAL_STRING 0
-
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-#ifndef GTEST_HAS_STD_WSTRING
-// The user didn't tell us whether ::std::wstring is available, so we need
-// to figure it out.
-// TODO(wan@google.com): uses autoconf to detect whether ::std::wstring
-//   is available.
-
-// Cygwin 1.7 and below doesn't support ::std::wstring.
-// Solaris' libc++ doesn't support it either.  Android has
-// no support for it at least as recent as Froyo (2.2).
-# define GTEST_HAS_STD_WSTRING \
-    (!(GTEST_OS_LINUX_ANDROID || GTEST_OS_CYGWIN || GTEST_OS_SOLARIS))
-
-#endif  // GTEST_HAS_STD_WSTRING
-
-#ifndef GTEST_HAS_GLOBAL_WSTRING
-// The user didn't tell us whether ::wstring is available, so we need
-// to figure it out.
-# define GTEST_HAS_GLOBAL_WSTRING \
-    (GTEST_HAS_STD_WSTRING && GTEST_HAS_GLOBAL_STRING)
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-// Determines whether RTTI is available.
-#ifndef GTEST_HAS_RTTI
-// The user didn't tell us whether RTTI is enabled, so we need to
-// figure it out.
-
-# ifdef _MSC_VER
-
-#  ifdef _CPPRTTI  // MSVC defines this macro iff RTTI is enabled.
-#   define GTEST_HAS_RTTI 1
-#  else
-#   define GTEST_HAS_RTTI 0
-#  endif
-
-// Starting with version 4.3.2, gcc defines __GXX_RTTI iff RTTI is enabled.
-# elif defined(__GNUC__) && (GTEST_GCC_VER_ >= 40302)
-
-#  ifdef __GXX_RTTI
-// When building against STLport with the Android NDK and with
-// -frtti -fno-exceptions, the build fails at link time with undefined
-// references to __cxa_bad_typeid. Note sure if STL or toolchain bug,
-// so disable RTTI when detected.
-#   if GTEST_OS_LINUX_ANDROID && defined(_STLPORT_MAJOR) && \
-       !defined(__EXCEPTIONS)
-#    define GTEST_HAS_RTTI 0
-#   else
-#    define GTEST_HAS_RTTI 1
-#   endif  // GTEST_OS_LINUX_ANDROID && __STLPORT_MAJOR && !__EXCEPTIONS
-#  else
-#   define GTEST_HAS_RTTI 0
-#  endif  // __GXX_RTTI
-
-// Clang defines __GXX_RTTI starting with version 3.0, but its manual recommends
-// using has_feature instead. has_feature(cxx_rtti) is supported since 2.7, the
-// first version with C++ support.
-# elif defined(__clang__)
-
-#  define GTEST_HAS_RTTI __has_feature(cxx_rtti)
-
-// Starting with version 9.0 IBM Visual Age defines __RTTI_ALL__ to 1 if
-// both the typeid and dynamic_cast features are present.
-# elif defined(__IBMCPP__) && (__IBMCPP__ >= 900)
-
-#  ifdef __RTTI_ALL__
-#   define GTEST_HAS_RTTI 1
-#  else
-#   define GTEST_HAS_RTTI 0
-#  endif
-
-# else
-
-// For all other compilers, we assume RTTI is enabled.
-#  define GTEST_HAS_RTTI 1
-
-# endif  // _MSC_VER
-
-#endif  // GTEST_HAS_RTTI
-
-// It's this header's responsibility to #include <typeinfo> when RTTI
-// is enabled.
-#if GTEST_HAS_RTTI
-# include <typeinfo>
-#endif
-
-// Determines whether Google Test can use the pthreads library.
-#ifndef GTEST_HAS_PTHREAD
-// The user didn't tell us explicitly, so we assume pthreads support is
-// available on Linux and Mac.
-//
-// To disable threading support in Google Test, add -DGTEST_HAS_PTHREAD=0
-// to your compiler flags.
-# define GTEST_HAS_PTHREAD (GTEST_OS_LINUX || GTEST_OS_MAC || GTEST_OS_HPUX \
-    || GTEST_OS_QNX)
-#endif  // GTEST_HAS_PTHREAD
-
-#if GTEST_HAS_PTHREAD
-// gtest-port.h guarantees to #include <pthread.h> when GTEST_HAS_PTHREAD is
-// true.
-# include <pthread.h>  // NOLINT
-
-// For timespec and nanosleep, used below.
-# include <time.h>  // NOLINT
-#endif
-
-// Determines whether Google Test can use tr1/tuple.  You can define
-// this macro to 0 to prevent Google Test from using tuple (any
-// feature depending on tuple with be disabled in this mode).
-#ifndef GTEST_HAS_TR1_TUPLE
-# if GTEST_OS_LINUX_ANDROID && defined(_STLPORT_MAJOR)
-// STLport, provided with the Android NDK, has neither <tr1/tuple> or <tuple>.
-#  define GTEST_HAS_TR1_TUPLE 0
-# else
-// The user didn't tell us not to do it, so we assume it's OK.
-#  define GTEST_HAS_TR1_TUPLE 1
-# endif
-#endif  // GTEST_HAS_TR1_TUPLE
-
-// Determines whether Google Test's own tr1 tuple implementation
-// should be used.
-#ifndef GTEST_USE_OWN_TR1_TUPLE
-// The user didn't tell us, so we need to figure it out.
-
-// We use our own TR1 tuple if we aren't sure the user has an
-// implementation of it already.  At this time, libstdc++ 4.0.0+ and
-// MSVC 2010 are the only mainstream standard libraries that come
-// with a TR1 tuple implementation.  NVIDIA's CUDA NVCC compiler
-// pretends to be GCC by defining __GNUC__ and friends, but cannot
-// compile GCC's tuple implementation.  MSVC 2008 (9.0) provides TR1
-// tuple in a 323 MB Feature Pack download, which we cannot assume the
-// user has.  QNX's QCC compiler is a modified GCC but it doesn't
-// support TR1 tuple.  libc++ only provides std::tuple, in C++11 mode,
-// and it can be used with some compilers that define __GNUC__.
-# if (defined(__GNUC__) && !defined(__CUDACC__) && (GTEST_GCC_VER_ >= 40000) \
-      && !GTEST_OS_QNX && !defined(_LIBCPP_VERSION)) || _MSC_VER >= 1600
-#  define GTEST_ENV_HAS_TR1_TUPLE_ 1
-# endif
-
-// C++11 specifies that <tuple> provides std::tuple. Use that if gtest is used
-// in C++11 mode and libstdc++ isn't very old (binaries targeting OS X 10.6
-// can build with clang but need to use gcc4.2's libstdc++).
-# if GTEST_LANG_CXX11 && (!defined(__GLIBCXX__) || __GLIBCXX__ > 20110325)
-#  define GTEST_ENV_HAS_STD_TUPLE_ 1
-# endif
-
-# if GTEST_ENV_HAS_TR1_TUPLE_ || GTEST_ENV_HAS_STD_TUPLE_
-#  define GTEST_USE_OWN_TR1_TUPLE 0
-# else
-#  define GTEST_USE_OWN_TR1_TUPLE 1
-# endif
-
-#endif  // GTEST_USE_OWN_TR1_TUPLE
-
-// To avoid conditional compilation everywhere, we make it
-// gtest-port.h's responsibility to #include the header implementing
-// tr1/tuple.
-#if GTEST_HAS_TR1_TUPLE
-
-# if GTEST_USE_OWN_TR1_TUPLE
-// This file was GENERATED by command:
-//     pump.py gtest-tuple.h.pump
-// DO NOT EDIT BY HAND!!!
-
-// Copyright 2009 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-// Implements a subset of TR1 tuple needed by Google Test and Google Mock.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
-
-#include <utility>  // For ::std::pair.
-
-// The compiler used in Symbian has a bug that prevents us from declaring the
-// tuple template as a friend (it complains that tuple is redefined).  This
-// hack bypasses the bug by declaring the members that should otherwise be
-// private as public.
-// Sun Studio versions < 12 also have the above bug.
-#if defined(__SYMBIAN32__) || (defined(__SUNPRO_CC) && __SUNPRO_CC < 0x590)
-# define GTEST_DECLARE_TUPLE_AS_FRIEND_ public:
-#else
-# define GTEST_DECLARE_TUPLE_AS_FRIEND_ \
-    template <GTEST_10_TYPENAMES_(U)> friend class tuple; \
-   private:
-#endif
-
-// GTEST_n_TUPLE_(T) is the type of an n-tuple.
-#define GTEST_0_TUPLE_(T) tuple<>
-#define GTEST_1_TUPLE_(T) tuple<T##0, void, void, void, void, void, void, \
-    void, void, void>
-#define GTEST_2_TUPLE_(T) tuple<T##0, T##1, void, void, void, void, void, \
-    void, void, void>
-#define GTEST_3_TUPLE_(T) tuple<T##0, T##1, T##2, void, void, void, void, \
-    void, void, void>
-#define GTEST_4_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, void, void, void, \
-    void, void, void>
-#define GTEST_5_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, void, void, \
-    void, void, void>
-#define GTEST_6_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, void, \
-    void, void, void>
-#define GTEST_7_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
-    void, void, void>
-#define GTEST_8_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
-    T##7, void, void>
-#define GTEST_9_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
-    T##7, T##8, void>
-#define GTEST_10_TUPLE_(T) tuple<T##0, T##1, T##2, T##3, T##4, T##5, T##6, \
-    T##7, T##8, T##9>
-
-// GTEST_n_TYPENAMES_(T) declares a list of n typenames.
-#define GTEST_0_TYPENAMES_(T)
-#define GTEST_1_TYPENAMES_(T) typename T##0
-#define GTEST_2_TYPENAMES_(T) typename T##0, typename T##1
-#define GTEST_3_TYPENAMES_(T) typename T##0, typename T##1, typename T##2
-#define GTEST_4_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3
-#define GTEST_5_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4
-#define GTEST_6_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4, typename T##5
-#define GTEST_7_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4, typename T##5, typename T##6
-#define GTEST_8_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4, typename T##5, typename T##6, typename T##7
-#define GTEST_9_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4, typename T##5, typename T##6, \
-    typename T##7, typename T##8
-#define GTEST_10_TYPENAMES_(T) typename T##0, typename T##1, typename T##2, \
-    typename T##3, typename T##4, typename T##5, typename T##6, \
-    typename T##7, typename T##8, typename T##9
-
-// In theory, defining stuff in the ::std namespace is undefined
-// behavior.  We can do this as we are playing the role of a standard
-// library vendor.
-namespace std {
-namespace tr1 {
-
-template <typename T0 = void, typename T1 = void, typename T2 = void,
-    typename T3 = void, typename T4 = void, typename T5 = void,
-    typename T6 = void, typename T7 = void, typename T8 = void,
-    typename T9 = void>
-class tuple;
-
-// Anything in namespace gtest_internal is Google Test's INTERNAL
-// IMPLEMENTATION DETAIL and MUST NOT BE USED DIRECTLY in user code.
-namespace gtest_internal {
-
-// ByRef<T>::type is T if T is a reference; otherwise it's const T&.
-template <typename T>
-struct ByRef { typedef const T& type; };  // NOLINT
-template <typename T>
-struct ByRef<T&> { typedef T& type; };  // NOLINT
-
-// A handy wrapper for ByRef.
-#define GTEST_BY_REF_(T) typename ::std::tr1::gtest_internal::ByRef<T>::type
-
-// AddRef<T>::type is T if T is a reference; otherwise it's T&.  This
-// is the same as tr1::add_reference<T>::type.
-template <typename T>
-struct AddRef { typedef T& type; };  // NOLINT
-template <typename T>
-struct AddRef<T&> { typedef T& type; };  // NOLINT
-
-// A handy wrapper for AddRef.
-#define GTEST_ADD_REF_(T) typename ::std::tr1::gtest_internal::AddRef<T>::type
-
-// A helper for implementing get<k>().
-template <int k> class Get;
-
-// A helper for implementing tuple_element<k, T>.  kIndexValid is true
-// iff k < the number of fields in tuple type T.
-template <bool kIndexValid, int kIndex, class Tuple>
-struct TupleElement;
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 0, GTEST_10_TUPLE_(T) > {
-  typedef T0 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 1, GTEST_10_TUPLE_(T) > {
-  typedef T1 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 2, GTEST_10_TUPLE_(T) > {
-  typedef T2 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 3, GTEST_10_TUPLE_(T) > {
-  typedef T3 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 4, GTEST_10_TUPLE_(T) > {
-  typedef T4 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 5, GTEST_10_TUPLE_(T) > {
-  typedef T5 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 6, GTEST_10_TUPLE_(T) > {
-  typedef T6 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 7, GTEST_10_TUPLE_(T) > {
-  typedef T7 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 8, GTEST_10_TUPLE_(T) > {
-  typedef T8 type;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct TupleElement<true, 9, GTEST_10_TUPLE_(T) > {
-  typedef T9 type;
-};
-
-}  // namespace gtest_internal
-
-template <>
-class tuple<> {
- public:
-  tuple() {}
-  tuple(const tuple& /* t */)  {}
-  tuple& operator=(const tuple& /* t */) { return *this; }
-};
-
-template <GTEST_1_TYPENAMES_(T)>
-class GTEST_1_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0) : f0_(f0) {}
-
-  tuple(const tuple& t) : f0_(t.f0_) {}
-
-  template <GTEST_1_TYPENAMES_(U)>
-  tuple(const GTEST_1_TUPLE_(U)& t) : f0_(t.f0_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_1_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_1_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_1_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_1_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    return *this;
-  }
-
-  T0 f0_;
-};
-
-template <GTEST_2_TYPENAMES_(T)>
-class GTEST_2_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1) : f0_(f0),
-      f1_(f1) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_) {}
-
-  template <GTEST_2_TYPENAMES_(U)>
-  tuple(const GTEST_2_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_) {}
-  template <typename U0, typename U1>
-  tuple(const ::std::pair<U0, U1>& p) : f0_(p.first), f1_(p.second) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_2_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_2_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-  template <typename U0, typename U1>
-  tuple& operator=(const ::std::pair<U0, U1>& p) {
-    f0_ = p.first;
-    f1_ = p.second;
-    return *this;
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_2_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_2_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-};
-
-template <GTEST_3_TYPENAMES_(T)>
-class GTEST_3_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2) : f0_(f0), f1_(f1), f2_(f2) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_) {}
-
-  template <GTEST_3_TYPENAMES_(U)>
-  tuple(const GTEST_3_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_3_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_3_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_3_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_3_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-};
-
-template <GTEST_4_TYPENAMES_(T)>
-class GTEST_4_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3) : f0_(f0), f1_(f1), f2_(f2),
-      f3_(f3) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_) {}
-
-  template <GTEST_4_TYPENAMES_(U)>
-  tuple(const GTEST_4_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_4_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_4_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_4_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_4_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-};
-
-template <GTEST_5_TYPENAMES_(T)>
-class GTEST_5_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3,
-      GTEST_BY_REF_(T4) f4) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_) {}
-
-  template <GTEST_5_TYPENAMES_(U)>
-  tuple(const GTEST_5_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_5_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_5_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_5_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_5_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-};
-
-template <GTEST_6_TYPENAMES_(T)>
-class GTEST_6_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
-      GTEST_BY_REF_(T5) f5) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
-      f5_(f5) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_), f5_(t.f5_) {}
-
-  template <GTEST_6_TYPENAMES_(U)>
-  tuple(const GTEST_6_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_6_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_6_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_6_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_6_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    f5_ = t.f5_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-  T5 f5_;
-};
-
-template <GTEST_7_TYPENAMES_(T)>
-class GTEST_7_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
-      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6) : f0_(f0), f1_(f1), f2_(f2),
-      f3_(f3), f4_(f4), f5_(f5), f6_(f6) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_) {}
-
-  template <GTEST_7_TYPENAMES_(U)>
-  tuple(const GTEST_7_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_7_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_7_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_7_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_7_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    f5_ = t.f5_;
-    f6_ = t.f6_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-  T5 f5_;
-  T6 f6_;
-};
-
-template <GTEST_8_TYPENAMES_(T)>
-class GTEST_8_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
-      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6,
-      GTEST_BY_REF_(T7) f7) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
-      f5_(f5), f6_(f6), f7_(f7) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_) {}
-
-  template <GTEST_8_TYPENAMES_(U)>
-  tuple(const GTEST_8_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_8_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_8_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_8_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_8_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    f5_ = t.f5_;
-    f6_ = t.f6_;
-    f7_ = t.f7_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-  T5 f5_;
-  T6 f6_;
-  T7 f7_;
-};
-
-template <GTEST_9_TYPENAMES_(T)>
-class GTEST_9_TUPLE_(T) {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_(), f8_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
-      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6, GTEST_BY_REF_(T7) f7,
-      GTEST_BY_REF_(T8) f8) : f0_(f0), f1_(f1), f2_(f2), f3_(f3), f4_(f4),
-      f5_(f5), f6_(f6), f7_(f7), f8_(f8) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_) {}
-
-  template <GTEST_9_TYPENAMES_(U)>
-  tuple(const GTEST_9_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_9_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_9_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_9_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_9_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    f5_ = t.f5_;
-    f6_ = t.f6_;
-    f7_ = t.f7_;
-    f8_ = t.f8_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-  T5 f5_;
-  T6 f6_;
-  T7 f7_;
-  T8 f8_;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-class tuple {
- public:
-  template <int k> friend class gtest_internal::Get;
-
-  tuple() : f0_(), f1_(), f2_(), f3_(), f4_(), f5_(), f6_(), f7_(), f8_(),
-      f9_() {}
-
-  explicit tuple(GTEST_BY_REF_(T0) f0, GTEST_BY_REF_(T1) f1,
-      GTEST_BY_REF_(T2) f2, GTEST_BY_REF_(T3) f3, GTEST_BY_REF_(T4) f4,
-      GTEST_BY_REF_(T5) f5, GTEST_BY_REF_(T6) f6, GTEST_BY_REF_(T7) f7,
-      GTEST_BY_REF_(T8) f8, GTEST_BY_REF_(T9) f9) : f0_(f0), f1_(f1), f2_(f2),
-      f3_(f3), f4_(f4), f5_(f5), f6_(f6), f7_(f7), f8_(f8), f9_(f9) {}
-
-  tuple(const tuple& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_), f3_(t.f3_),
-      f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_), f9_(t.f9_) {}
-
-  template <GTEST_10_TYPENAMES_(U)>
-  tuple(const GTEST_10_TUPLE_(U)& t) : f0_(t.f0_), f1_(t.f1_), f2_(t.f2_),
-      f3_(t.f3_), f4_(t.f4_), f5_(t.f5_), f6_(t.f6_), f7_(t.f7_), f8_(t.f8_),
-      f9_(t.f9_) {}
-
-  tuple& operator=(const tuple& t) { return CopyFrom(t); }
-
-  template <GTEST_10_TYPENAMES_(U)>
-  tuple& operator=(const GTEST_10_TUPLE_(U)& t) {
-    return CopyFrom(t);
-  }
-
-  GTEST_DECLARE_TUPLE_AS_FRIEND_
-
-  template <GTEST_10_TYPENAMES_(U)>
-  tuple& CopyFrom(const GTEST_10_TUPLE_(U)& t) {
-    f0_ = t.f0_;
-    f1_ = t.f1_;
-    f2_ = t.f2_;
-    f3_ = t.f3_;
-    f4_ = t.f4_;
-    f5_ = t.f5_;
-    f6_ = t.f6_;
-    f7_ = t.f7_;
-    f8_ = t.f8_;
-    f9_ = t.f9_;
-    return *this;
-  }
-
-  T0 f0_;
-  T1 f1_;
-  T2 f2_;
-  T3 f3_;
-  T4 f4_;
-  T5 f5_;
-  T6 f6_;
-  T7 f7_;
-  T8 f8_;
-  T9 f9_;
-};
-
-// 6.1.3.2 Tuple creation functions.
-
-// Known limitations: we don't support passing an
-// std::tr1::reference_wrapper<T> to make_tuple().  And we don't
-// implement tie().
-
-inline tuple<> make_tuple() { return tuple<>(); }
-
-template <GTEST_1_TYPENAMES_(T)>
-inline GTEST_1_TUPLE_(T) make_tuple(const T0& f0) {
-  return GTEST_1_TUPLE_(T)(f0);
-}
-
-template <GTEST_2_TYPENAMES_(T)>
-inline GTEST_2_TUPLE_(T) make_tuple(const T0& f0, const T1& f1) {
-  return GTEST_2_TUPLE_(T)(f0, f1);
-}
-
-template <GTEST_3_TYPENAMES_(T)>
-inline GTEST_3_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2) {
-  return GTEST_3_TUPLE_(T)(f0, f1, f2);
-}
-
-template <GTEST_4_TYPENAMES_(T)>
-inline GTEST_4_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3) {
-  return GTEST_4_TUPLE_(T)(f0, f1, f2, f3);
-}
-
-template <GTEST_5_TYPENAMES_(T)>
-inline GTEST_5_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4) {
-  return GTEST_5_TUPLE_(T)(f0, f1, f2, f3, f4);
-}
-
-template <GTEST_6_TYPENAMES_(T)>
-inline GTEST_6_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4, const T5& f5) {
-  return GTEST_6_TUPLE_(T)(f0, f1, f2, f3, f4, f5);
-}
-
-template <GTEST_7_TYPENAMES_(T)>
-inline GTEST_7_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4, const T5& f5, const T6& f6) {
-  return GTEST_7_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6);
-}
-
-template <GTEST_8_TYPENAMES_(T)>
-inline GTEST_8_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7) {
-  return GTEST_8_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7);
-}
-
-template <GTEST_9_TYPENAMES_(T)>
-inline GTEST_9_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7,
-    const T8& f8) {
-  return GTEST_9_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7, f8);
-}
-
-template <GTEST_10_TYPENAMES_(T)>
-inline GTEST_10_TUPLE_(T) make_tuple(const T0& f0, const T1& f1, const T2& f2,
-    const T3& f3, const T4& f4, const T5& f5, const T6& f6, const T7& f7,
-    const T8& f8, const T9& f9) {
-  return GTEST_10_TUPLE_(T)(f0, f1, f2, f3, f4, f5, f6, f7, f8, f9);
-}
-
-// 6.1.3.3 Tuple helper classes.
-
-template <typename Tuple> struct tuple_size;
-
-template <GTEST_0_TYPENAMES_(T)>
-struct tuple_size<GTEST_0_TUPLE_(T) > {
-  static const int value = 0;
-};
-
-template <GTEST_1_TYPENAMES_(T)>
-struct tuple_size<GTEST_1_TUPLE_(T) > {
-  static const int value = 1;
-};
-
-template <GTEST_2_TYPENAMES_(T)>
-struct tuple_size<GTEST_2_TUPLE_(T) > {
-  static const int value = 2;
-};
-
-template <GTEST_3_TYPENAMES_(T)>
-struct tuple_size<GTEST_3_TUPLE_(T) > {
-  static const int value = 3;
-};
-
-template <GTEST_4_TYPENAMES_(T)>
-struct tuple_size<GTEST_4_TUPLE_(T) > {
-  static const int value = 4;
-};
-
-template <GTEST_5_TYPENAMES_(T)>
-struct tuple_size<GTEST_5_TUPLE_(T) > {
-  static const int value = 5;
-};
-
-template <GTEST_6_TYPENAMES_(T)>
-struct tuple_size<GTEST_6_TUPLE_(T) > {
-  static const int value = 6;
-};
-
-template <GTEST_7_TYPENAMES_(T)>
-struct tuple_size<GTEST_7_TUPLE_(T) > {
-  static const int value = 7;
-};
-
-template <GTEST_8_TYPENAMES_(T)>
-struct tuple_size<GTEST_8_TUPLE_(T) > {
-  static const int value = 8;
-};
-
-template <GTEST_9_TYPENAMES_(T)>
-struct tuple_size<GTEST_9_TUPLE_(T) > {
-  static const int value = 9;
-};
-
-template <GTEST_10_TYPENAMES_(T)>
-struct tuple_size<GTEST_10_TUPLE_(T) > {
-  static const int value = 10;
-};
-
-template <int k, class Tuple>
-struct tuple_element {
-  typedef typename gtest_internal::TupleElement<
-      k < (tuple_size<Tuple>::value), k, Tuple>::type type;
-};
-
-#define GTEST_TUPLE_ELEMENT_(k, Tuple) typename tuple_element<k, Tuple >::type
-
-// 6.1.3.4 Element access.
-
-namespace gtest_internal {
-
-template <>
-class Get<0> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(0, Tuple))
-  Field(Tuple& t) { return t.f0_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(0, Tuple))
-  ConstField(const Tuple& t) { return t.f0_; }
-};
-
-template <>
-class Get<1> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(1, Tuple))
-  Field(Tuple& t) { return t.f1_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(1, Tuple))
-  ConstField(const Tuple& t) { return t.f1_; }
-};
-
-template <>
-class Get<2> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(2, Tuple))
-  Field(Tuple& t) { return t.f2_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(2, Tuple))
-  ConstField(const Tuple& t) { return t.f2_; }
-};
-
-template <>
-class Get<3> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(3, Tuple))
-  Field(Tuple& t) { return t.f3_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(3, Tuple))
-  ConstField(const Tuple& t) { return t.f3_; }
-};
-
-template <>
-class Get<4> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(4, Tuple))
-  Field(Tuple& t) { return t.f4_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(4, Tuple))
-  ConstField(const Tuple& t) { return t.f4_; }
-};
-
-template <>
-class Get<5> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(5, Tuple))
-  Field(Tuple& t) { return t.f5_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(5, Tuple))
-  ConstField(const Tuple& t) { return t.f5_; }
-};
-
-template <>
-class Get<6> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(6, Tuple))
-  Field(Tuple& t) { return t.f6_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(6, Tuple))
-  ConstField(const Tuple& t) { return t.f6_; }
-};
-
-template <>
-class Get<7> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(7, Tuple))
-  Field(Tuple& t) { return t.f7_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(7, Tuple))
-  ConstField(const Tuple& t) { return t.f7_; }
-};
-
-template <>
-class Get<8> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(8, Tuple))
-  Field(Tuple& t) { return t.f8_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(8, Tuple))
-  ConstField(const Tuple& t) { return t.f8_; }
-};
-
-template <>
-class Get<9> {
- public:
-  template <class Tuple>
-  static GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(9, Tuple))
-  Field(Tuple& t) { return t.f9_; }  // NOLINT
-
-  template <class Tuple>
-  static GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(9, Tuple))
-  ConstField(const Tuple& t) { return t.f9_; }
-};
-
-}  // namespace gtest_internal
-
-template <int k, GTEST_10_TYPENAMES_(T)>
-GTEST_ADD_REF_(GTEST_TUPLE_ELEMENT_(k, GTEST_10_TUPLE_(T)))
-get(GTEST_10_TUPLE_(T)& t) {
-  return gtest_internal::Get<k>::Field(t);
-}
-
-template <int k, GTEST_10_TYPENAMES_(T)>
-GTEST_BY_REF_(GTEST_TUPLE_ELEMENT_(k,  GTEST_10_TUPLE_(T)))
-get(const GTEST_10_TUPLE_(T)& t) {
-  return gtest_internal::Get<k>::ConstField(t);
-}
-
-// 6.1.3.5 Relational operators
-
-// We only implement == and !=, as we don't have a need for the rest yet.
-
-namespace gtest_internal {
-
-// SameSizeTuplePrefixComparator<k, k>::Eq(t1, t2) returns true if the
-// first k fields of t1 equals the first k fields of t2.
-// SameSizeTuplePrefixComparator(k1, k2) would be a compiler error if
-// k1 != k2.
-template <int kSize1, int kSize2>
-struct SameSizeTuplePrefixComparator;
-
-template <>
-struct SameSizeTuplePrefixComparator<0, 0> {
-  template <class Tuple1, class Tuple2>
-  static bool Eq(const Tuple1& /* t1 */, const Tuple2& /* t2 */) {
-    return true;
-  }
-};
-
-template <int k>
-struct SameSizeTuplePrefixComparator<k, k> {
-  template <class Tuple1, class Tuple2>
-  static bool Eq(const Tuple1& t1, const Tuple2& t2) {
-    return SameSizeTuplePrefixComparator<k - 1, k - 1>::Eq(t1, t2) &&
-        ::std::tr1::get<k - 1>(t1) == ::std::tr1::get<k - 1>(t2);
-  }
-};
-
-}  // namespace gtest_internal
-
-template <GTEST_10_TYPENAMES_(T), GTEST_10_TYPENAMES_(U)>
-inline bool operator==(const GTEST_10_TUPLE_(T)& t,
-                       const GTEST_10_TUPLE_(U)& u) {
-  return gtest_internal::SameSizeTuplePrefixComparator<
-      tuple_size<GTEST_10_TUPLE_(T) >::value,
-      tuple_size<GTEST_10_TUPLE_(U) >::value>::Eq(t, u);
-}
-
-template <GTEST_10_TYPENAMES_(T), GTEST_10_TYPENAMES_(U)>
-inline bool operator!=(const GTEST_10_TUPLE_(T)& t,
-                       const GTEST_10_TUPLE_(U)& u) { return !(t == u); }
-
-// 6.1.4 Pairs.
-// Unimplemented.
-
-}  // namespace tr1
-}  // namespace std
-
-#undef GTEST_0_TUPLE_
-#undef GTEST_1_TUPLE_
-#undef GTEST_2_TUPLE_
-#undef GTEST_3_TUPLE_
-#undef GTEST_4_TUPLE_
-#undef GTEST_5_TUPLE_
-#undef GTEST_6_TUPLE_
-#undef GTEST_7_TUPLE_
-#undef GTEST_8_TUPLE_
-#undef GTEST_9_TUPLE_
-#undef GTEST_10_TUPLE_
-
-#undef GTEST_0_TYPENAMES_
-#undef GTEST_1_TYPENAMES_
-#undef GTEST_2_TYPENAMES_
-#undef GTEST_3_TYPENAMES_
-#undef GTEST_4_TYPENAMES_
-#undef GTEST_5_TYPENAMES_
-#undef GTEST_6_TYPENAMES_
-#undef GTEST_7_TYPENAMES_
-#undef GTEST_8_TYPENAMES_
-#undef GTEST_9_TYPENAMES_
-#undef GTEST_10_TYPENAMES_
-
-#undef GTEST_DECLARE_TUPLE_AS_FRIEND_
-#undef GTEST_BY_REF_
-#undef GTEST_ADD_REF_
-#undef GTEST_TUPLE_ELEMENT_
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TUPLE_H_
-# elif GTEST_ENV_HAS_STD_TUPLE_
-#  include <tuple>
-// C++11 puts its tuple into the ::std namespace rather than
-// ::std::tr1.  gtest expects tuple to live in ::std::tr1, so put it there.
-// This causes undefined behavior, but supported compilers react in
-// the way we intend.
-namespace std {
-namespace tr1 {
-using ::std::get;
-using ::std::make_tuple;
-using ::std::tuple;
-using ::std::tuple_element;
-using ::std::tuple_size;
-}
-}
-
-# elif GTEST_OS_SYMBIAN
-
-// On Symbian, BOOST_HAS_TR1_TUPLE causes Boost's TR1 tuple library to
-// use STLport's tuple implementation, which unfortunately doesn't
-// work as the copy of STLport distributed with Symbian is incomplete.
-// By making sure BOOST_HAS_TR1_TUPLE is undefined, we force Boost to
-// use its own tuple implementation.
-#  ifdef BOOST_HAS_TR1_TUPLE
-#   undef BOOST_HAS_TR1_TUPLE
-#  endif  // BOOST_HAS_TR1_TUPLE
-
-// This prevents <boost/tr1/detail/config.hpp>, which defines
-// BOOST_HAS_TR1_TUPLE, from being #included by Boost's <tuple>.
-#  define BOOST_TR1_DETAIL_CONFIG_HPP_INCLUDED
-#  include <tuple>
-
-# elif defined(__GNUC__) && (GTEST_GCC_VER_ >= 40000)
-// GCC 4.0+ implements tr1/tuple in the <tr1/tuple> header.  This does
-// not conform to the TR1 spec, which requires the header to be <tuple>.
-
-#  if !GTEST_HAS_RTTI && GTEST_GCC_VER_ < 40302
-// Until version 4.3.2, gcc has a bug that causes <tr1/functional>,
-// which is #included by <tr1/tuple>, to not compile when RTTI is
-// disabled.  _TR1_FUNCTIONAL is the header guard for
-// <tr1/functional>.  Hence the following #define is a hack to prevent
-// <tr1/functional> from being included.
-#   define _TR1_FUNCTIONAL 1
-#   include <tr1/tuple>
-#   undef _TR1_FUNCTIONAL  // Allows the user to #include
-                        // <tr1/functional> if he chooses to.
-#  else
-#   include <tr1/tuple>  // NOLINT
-#  endif  // !GTEST_HAS_RTTI && GTEST_GCC_VER_ < 40302
-
-# else
-// If the compiler is not GCC 4.0+, we assume the user is using a
-// spec-conforming TR1 implementation.
-#  include <tuple>  // NOLINT
-# endif  // GTEST_USE_OWN_TR1_TUPLE
-
-#endif  // GTEST_HAS_TR1_TUPLE
-
-// Determines whether clone(2) is supported.
-// Usually it will only be available on Linux, excluding
-// Linux on the Itanium architecture.
-// Also see http://linux.die.net/man/2/clone.
-#ifndef GTEST_HAS_CLONE
-// The user didn't tell us, so we need to figure it out.
-
-# if GTEST_OS_LINUX && !defined(__ia64__)
-#  if GTEST_OS_LINUX_ANDROID
-// On Android, clone() is only available on ARM starting with Gingerbread.
-#    if defined(__arm__) && __ANDROID_API__ >= 9
-#     define GTEST_HAS_CLONE 1
-#    else
-#     define GTEST_HAS_CLONE 0
-#    endif
-#  else
-#   define GTEST_HAS_CLONE 1
-#  endif
-# else
-#  define GTEST_HAS_CLONE 0
-# endif  // GTEST_OS_LINUX && !defined(__ia64__)
-
-#endif  // GTEST_HAS_CLONE
-
-// Determines whether to support stream redirection. This is used to test
-// output correctness and to implement death tests.
-#ifndef GTEST_HAS_STREAM_REDIRECTION
-// By default, we assume that stream redirection is supported on all
-// platforms except known mobile ones.
-# if GTEST_OS_WINDOWS_MOBILE || GTEST_OS_SYMBIAN
-#  define GTEST_HAS_STREAM_REDIRECTION 0
-# else
-#  define GTEST_HAS_STREAM_REDIRECTION 1
-# endif  // !GTEST_OS_WINDOWS_MOBILE && !GTEST_OS_SYMBIAN
-#endif  // GTEST_HAS_STREAM_REDIRECTION
-
-// Determines whether to support death tests.
-// Google Test does not support death tests for VC 7.1 and earlier as
-// abort() in a VC 7.1 application compiled as GUI in debug config
-// pops up a dialog window that cannot be suppressed programmatically.
-#if (GTEST_OS_LINUX || GTEST_OS_CYGWIN || GTEST_OS_SOLARIS || \
-     (GTEST_OS_MAC && !GTEST_OS_IOS) || GTEST_OS_IOS_SIMULATOR || \
-     (GTEST_OS_WINDOWS_DESKTOP && _MSC_VER >= 1400) || \
-     GTEST_OS_WINDOWS_MINGW || GTEST_OS_AIX || GTEST_OS_HPUX || \
-     GTEST_OS_OPENBSD || GTEST_OS_QNX)
-# define GTEST_HAS_DEATH_TEST 1
-# include <vector>  // NOLINT
-#endif
-
-// We don't support MSVC 7.1 with exceptions disabled now.  Therefore
-// all the compilers we care about are adequate for supporting
-// value-parameterized tests.
-#define GTEST_HAS_PARAM_TEST 1
-
-// Determines whether to support type-driven tests.
-
-// Typed tests need <typeinfo> and variadic macros, which GCC, VC++ 8.0,
-// Sun Pro CC, IBM Visual Age, and HP aCC support.
-#if defined(__GNUC__) || (_MSC_VER >= 1400) || defined(__SUNPRO_CC) || \
-    defined(__IBMCPP__) || defined(__HP_aCC)
-# define GTEST_HAS_TYPED_TEST 1
-# define GTEST_HAS_TYPED_TEST_P 1
-#endif
-
-// Determines whether to support Combine(). This only makes sense when
-// value-parameterized tests are enabled.  The implementation doesn't
-// work on Sun Studio since it doesn't understand templated conversion
-// operators.
-#if GTEST_HAS_PARAM_TEST && GTEST_HAS_TR1_TUPLE && !defined(__SUNPRO_CC)
-# define GTEST_HAS_COMBINE 1
-#endif
-
-// Determines whether the system compiler uses UTF-16 for encoding wide strings.
-#define GTEST_WIDE_STRING_USES_UTF16_ \
-    (GTEST_OS_WINDOWS || GTEST_OS_CYGWIN || GTEST_OS_SYMBIAN || GTEST_OS_AIX)
-
-// Determines whether test results can be streamed to a socket.
-#if GTEST_OS_LINUX
-# define GTEST_CAN_STREAM_RESULTS_ 1
-#endif
-
-// Defines some utility macros.
-
-// The GNU compiler emits a warning if nested "if" statements are followed by
-// an "else" statement and braces are not used to explicitly disambiguate the
-// "else" binding.  This leads to problems with code like:
-//
-//   if (gate)
-//     ASSERT_*(condition) << "Some message";
-//
-// The "switch (0) case 0:" idiom is used to suppress this.
-#ifdef __INTEL_COMPILER
-# define GTEST_AMBIGUOUS_ELSE_BLOCKER_
-#else
-# define GTEST_AMBIGUOUS_ELSE_BLOCKER_ switch (0) case 0: default:  // NOLINT
-#endif
-
-// Use this annotation at the end of a struct/class definition to
-// prevent the compiler from optimizing away instances that are never
-// used.  This is useful when all interesting logic happens inside the
-// c'tor and / or d'tor.  Example:
-//
-//   struct Foo {
-//     Foo() { ... }
-//   } GTEST_ATTRIBUTE_UNUSED_;
-//
-// Also use it after a variable or parameter declaration to tell the
-// compiler the variable/parameter does not have to be used.
-#if defined(__GNUC__) && !defined(COMPILER_ICC)
-# define GTEST_ATTRIBUTE_UNUSED_ __attribute__ ((unused))
-#else
-# define GTEST_ATTRIBUTE_UNUSED_
-#endif
-
-// A macro to disallow operator=
-// This should be used in the private: declarations for a class.
-#define GTEST_DISALLOW_ASSIGN_(type)\
-  void operator=(type const &)
-
-// A macro to disallow copy constructor and operator=
-// This should be used in the private: declarations for a class.
-#define GTEST_DISALLOW_COPY_AND_ASSIGN_(type)\
-  type(type const &);\
-  GTEST_DISALLOW_ASSIGN_(type)
-
-// Tell the compiler to warn about unused return values for functions declared
-// with this macro.  The macro should be used on function declarations
-// following the argument list:
-//
-//   Sprocket* AllocateSprocket() GTEST_MUST_USE_RESULT_;
-#if defined(__GNUC__) && (GTEST_GCC_VER_ >= 30400) && !defined(COMPILER_ICC)
-# define GTEST_MUST_USE_RESULT_ __attribute__ ((warn_unused_result))
-#else
-# define GTEST_MUST_USE_RESULT_
-#endif  // __GNUC__ && (GTEST_GCC_VER_ >= 30400) && !COMPILER_ICC
-
-// Determine whether the compiler supports Microsoft's Structured Exception
-// Handling.  This is supported by several Windows compilers but generally
-// does not exist on any other system.
-#ifndef GTEST_HAS_SEH
-// The user didn't tell us, so we need to figure it out.
-
-# if defined(_MSC_VER) || defined(__BORLANDC__)
-// These two compilers are known to support SEH.
-#  define GTEST_HAS_SEH 1
-# else
-// Assume no SEH.
-#  define GTEST_HAS_SEH 0
-# endif
-
-#endif  // GTEST_HAS_SEH
-
-#ifdef _MSC_VER
-
-# if GTEST_LINKED_AS_SHARED_LIBRARY
-#  define GTEST_API_ __declspec(dllimport)
-# elif GTEST_CREATE_SHARED_LIBRARY
-#  define GTEST_API_ __declspec(dllexport)
-# endif
-
-#endif  // _MSC_VER
-
-#ifndef GTEST_API_
-# define GTEST_API_
-#endif
-
-#ifdef __GNUC__
-// Ask the compiler to never inline a given function.
-# define GTEST_NO_INLINE_ __attribute__((noinline))
-#else
-# define GTEST_NO_INLINE_
-#endif
-
-// _LIBCPP_VERSION is defined by the libc++ library from the LLVM project.
-#if defined(__GLIBCXX__) || defined(_LIBCPP_VERSION)
-# define GTEST_HAS_CXXABI_H_ 1
-#else
-# define GTEST_HAS_CXXABI_H_ 0
-#endif
-
-namespace testing {
-
-class Message;
-
-namespace internal {
-
-// A secret type that Google Test users don't know about.  It has no
-// definition on purpose.  Therefore it's impossible to create a
-// Secret object, which is what we want.
-class Secret;
-
-// The GTEST_COMPILE_ASSERT_ macro can be used to verify that a compile time
-// expression is true. For example, you could use it to verify the
-// size of a static array:
-//
-//   GTEST_COMPILE_ASSERT_(ARRAYSIZE(content_type_names) == CONTENT_NUM_TYPES,
-//                         content_type_names_incorrect_size);
-//
-// or to make sure a struct is smaller than a certain size:
-//
-//   GTEST_COMPILE_ASSERT_(sizeof(foo) < 128, foo_too_large);
-//
-// The second argument to the macro is the name of the variable. If
-// the expression is false, most compilers will issue a warning/error
-// containing the name of the variable.
-
-template <bool>
-struct CompileAssert {
-};
-
-#define GTEST_COMPILE_ASSERT_(expr, msg) \
-  typedef ::testing::internal::CompileAssert<(static_cast<bool>(expr))> \
-      msg[static_cast<bool>(expr) ? 1 : -1] GTEST_ATTRIBUTE_UNUSED_
-
-// Implementation details of GTEST_COMPILE_ASSERT_:
-//
-// - GTEST_COMPILE_ASSERT_ works by defining an array type that has -1
-//   elements (and thus is invalid) when the expression is false.
-//
-// - The simpler definition
-//
-//    #define GTEST_COMPILE_ASSERT_(expr, msg) typedef char msg[(expr) ? 1 : -1]
-//
-//   does not work, as gcc supports variable-length arrays whose sizes
-//   are determined at run-time (this is gcc's extension and not part
-//   of the C++ standard).  As a result, gcc fails to reject the
-//   following code with the simple definition:
-//
-//     int foo;
-//     GTEST_COMPILE_ASSERT_(foo, msg); // not supposed to compile as foo is
-//                                      // not a compile-time constant.
-//
-// - By using the type CompileAssert<(bool(expr))>, we ensures that
-//   expr is a compile-time constant.  (Template arguments must be
-//   determined at compile-time.)
-//
-// - The outter parentheses in CompileAssert<(bool(expr))> are necessary
-//   to work around a bug in gcc 3.4.4 and 4.0.1.  If we had written
-//
-//     CompileAssert<bool(expr)>
-//
-//   instead, these compilers will refuse to compile
-//
-//     GTEST_COMPILE_ASSERT_(5 > 0, some_message);
-//
-//   (They seem to think the ">" in "5 > 0" marks the end of the
-//   template argument list.)
-//
-// - The array size is (bool(expr) ? 1 : -1), instead of simply
-//
-//     ((expr) ? 1 : -1).
-//
-//   This is to avoid running into a bug in MS VC 7.1, which
-//   causes ((0.0) ? 1 : -1) to incorrectly evaluate to 1.
-
-// StaticAssertTypeEqHelper is used by StaticAssertTypeEq defined in gtest.h.
-//
-// This template is declared, but intentionally undefined.
-template <typename T1, typename T2>
-struct StaticAssertTypeEqHelper;
-
-template <typename T>
-struct StaticAssertTypeEqHelper<T, T> {};
-
-#if GTEST_HAS_GLOBAL_STRING
-typedef ::string string;
-#else
-typedef ::std::string string;
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-#if GTEST_HAS_GLOBAL_WSTRING
-typedef ::wstring wstring;
-#elif GTEST_HAS_STD_WSTRING
-typedef ::std::wstring wstring;
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-// A helper for suppressing warnings on constant condition.  It just
-// returns 'condition'.
-GTEST_API_ bool IsTrue(bool condition);
-
-// Defines scoped_ptr.
-
-// This implementation of scoped_ptr is PARTIAL - it only contains
-// enough stuff to satisfy Google Test's need.
-template <typename T>
-class scoped_ptr {
- public:
-  typedef T element_type;
-
-  explicit scoped_ptr(T* p = NULL) : ptr_(p) {}
-  ~scoped_ptr() { reset(); }
-
-  T& operator*() const { return *ptr_; }
-  T* operator->() const { return ptr_; }
-  T* get() const { return ptr_; }
-
-  T* release() {
-    T* const ptr = ptr_;
-    ptr_ = NULL;
-    return ptr;
-  }
-
-  void reset(T* p = NULL) {
-    if (p != ptr_) {
-      if (IsTrue(sizeof(T) > 0)) {  // Makes sure T is a complete type.
-        delete ptr_;
-      }
-      ptr_ = p;
-    }
-  }
-
- private:
-  T* ptr_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(scoped_ptr);
-};
-
-// Defines RE.
-
-// A simple C++ wrapper for <regex.h>.  It uses the POSIX Extended
-// Regular Expression syntax.
-class GTEST_API_ RE {
- public:
-  // A copy constructor is required by the Standard to initialize object
-  // references from r-values.
-  RE(const RE& other) { Init(other.pattern()); }
-
-  // Constructs an RE from a string.
-  RE(const ::std::string& regex) { Init(regex.c_str()); }  // NOLINT
-
-#if GTEST_HAS_GLOBAL_STRING
-
-  RE(const ::string& regex) { Init(regex.c_str()); }  // NOLINT
-
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-  RE(const char* regex) { Init(regex); }  // NOLINT
-  ~RE();
-
-  // Returns the string representation of the regex.
-  const char* pattern() const { return pattern_; }
-
-  // FullMatch(str, re) returns true iff regular expression re matches
-  // the entire str.
-  // PartialMatch(str, re) returns true iff regular expression re
-  // matches a substring of str (including str itself).
-  //
-  // TODO(wan@google.com): make FullMatch() and PartialMatch() work
-  // when str contains NUL characters.
-  static bool FullMatch(const ::std::string& str, const RE& re) {
-    return FullMatch(str.c_str(), re);
-  }
-  static bool PartialMatch(const ::std::string& str, const RE& re) {
-    return PartialMatch(str.c_str(), re);
-  }
-
-#if GTEST_HAS_GLOBAL_STRING
-
-  static bool FullMatch(const ::string& str, const RE& re) {
-    return FullMatch(str.c_str(), re);
-  }
-  static bool PartialMatch(const ::string& str, const RE& re) {
-    return PartialMatch(str.c_str(), re);
-  }
-
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-  static bool FullMatch(const char* str, const RE& re);
-  static bool PartialMatch(const char* str, const RE& re);
-
- private:
-  void Init(const char* regex);
-
-  // We use a const char* instead of an std::string, as Google Test used to be
-  // used where std::string is not available.  TODO(wan@google.com): change to
-  // std::string.
-  const char* pattern_;
-  bool is_valid_;
-
-#if GTEST_USES_POSIX_RE
-
-  regex_t full_regex_;     // For FullMatch().
-  regex_t partial_regex_;  // For PartialMatch().
-
-#else  // GTEST_USES_SIMPLE_RE
-
-  const char* full_pattern_;  // For FullMatch();
-
-#endif
-
-  GTEST_DISALLOW_ASSIGN_(RE);
-};
-
-// Formats a source file path and a line number as they would appear
-// in an error message from the compiler used to compile this code.
-GTEST_API_ ::std::string FormatFileLocation(const char* file, int line);
-
-// Formats a file location for compiler-independent XML output.
-// Although this function is not platform dependent, we put it next to
-// FormatFileLocation in order to contrast the two functions.
-GTEST_API_ ::std::string FormatCompilerIndependentFileLocation(const char* file,
-                                                               int line);
-
-// Defines logging utilities:
-//   GTEST_LOG_(severity) - logs messages at the specified severity level. The
-//                          message itself is streamed into the macro.
-//   LogToStderr()  - directs all log messages to stderr.
-//   FlushInfoLog() - flushes informational log messages.
-
-enum GTestLogSeverity {
-  GTEST_INFO,
-  GTEST_WARNING,
-  GTEST_ERROR,
-  GTEST_FATAL
-};
-
-// Formats log entry severity, provides a stream object for streaming the
-// log message, and terminates the message with a newline when going out of
-// scope.
-class GTEST_API_ GTestLog {
- public:
-  GTestLog(GTestLogSeverity severity, const char* file, int line);
-
-  // Flushes the buffers and, if severity is GTEST_FATAL, aborts the program.
-  ~GTestLog();
-
-  ::std::ostream& GetStream() { return ::std::cerr; }
-
- private:
-  const GTestLogSeverity severity_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(GTestLog);
-};
-
-#define GTEST_LOG_(severity) \
-    ::testing::internal::GTestLog(::testing::internal::GTEST_##severity, \
-                                  __FILE__, __LINE__).GetStream()
-
-inline void LogToStderr() {}
-inline void FlushInfoLog() { fflush(NULL); }
-
-// INTERNAL IMPLEMENTATION - DO NOT USE.
-//
-// GTEST_CHECK_ is an all-mode assert. It aborts the program if the condition
-// is not satisfied.
-//  Synopsys:
-//    GTEST_CHECK_(boolean_condition);
-//     or
-//    GTEST_CHECK_(boolean_condition) << "Additional message";
-//
-//    This checks the condition and if the condition is not satisfied
-//    it prints message about the condition violation, including the
-//    condition itself, plus additional message streamed into it, if any,
-//    and then it aborts the program. It aborts the program irrespective of
-//    whether it is built in the debug mode or not.
-#define GTEST_CHECK_(condition) \
-    GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-    if (::testing::internal::IsTrue(condition)) \
-      ; \
-    else \
-      GTEST_LOG_(FATAL) << "Condition " #condition " failed. "
-
-// An all-mode assert to verify that the given POSIX-style function
-// call returns 0 (indicating success).  Known limitation: this
-// doesn't expand to a balanced 'if' statement, so enclose the macro
-// in {} if you need to use it as the only statement in an 'if'
-// branch.
-#define GTEST_CHECK_POSIX_SUCCESS_(posix_call) \
-  if (const int gtest_error = (posix_call)) \
-    GTEST_LOG_(FATAL) << #posix_call << "failed with error " \
-                      << gtest_error
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Use ImplicitCast_ as a safe version of static_cast for upcasting in
-// the type hierarchy (e.g. casting a Foo* to a SuperclassOfFoo* or a
-// const Foo*).  When you use ImplicitCast_, the compiler checks that
-// the cast is safe.  Such explicit ImplicitCast_s are necessary in
-// surprisingly many situations where C++ demands an exact type match
-// instead of an argument type convertable to a target type.
-//
-// The syntax for using ImplicitCast_ is the same as for static_cast:
-//
-//   ImplicitCast_<ToType>(expr)
-//
-// ImplicitCast_ would have been part of the C++ standard library,
-// but the proposal was submitted too late.  It will probably make
-// its way into the language in the future.
-//
-// This relatively ugly name is intentional. It prevents clashes with
-// similar functions users may have (e.g., implicit_cast). The internal
-// namespace alone is not enough because the function can be found by ADL.
-template<typename To>
-inline To ImplicitCast_(To x) { return x; }
-
-// When you upcast (that is, cast a pointer from type Foo to type
-// SuperclassOfFoo), it's fine to use ImplicitCast_<>, since upcasts
-// always succeed.  When you downcast (that is, cast a pointer from
-// type Foo to type SubclassOfFoo), static_cast<> isn't safe, because
-// how do you know the pointer is really of type SubclassOfFoo?  It
-// could be a bare Foo, or of type DifferentSubclassOfFoo.  Thus,
-// when you downcast, you should use this macro.  In debug mode, we
-// use dynamic_cast<> to double-check the downcast is legal (we die
-// if it's not).  In normal mode, we do the efficient static_cast<>
-// instead.  Thus, it's important to test in debug mode to make sure
-// the cast is legal!
-//    This is the only place in the code we should use dynamic_cast<>.
-// In particular, you SHOULDN'T be using dynamic_cast<> in order to
-// do RTTI (eg code like this:
-//    if (dynamic_cast<Subclass1>(foo)) HandleASubclass1Object(foo);
-//    if (dynamic_cast<Subclass2>(foo)) HandleASubclass2Object(foo);
-// You should design the code some other way not to need this.
-//
-// This relatively ugly name is intentional. It prevents clashes with
-// similar functions users may have (e.g., down_cast). The internal
-// namespace alone is not enough because the function can be found by ADL.
-template<typename To, typename From>  // use like this: DownCast_<T*>(foo);
-inline To DownCast_(From* f) {  // so we only accept pointers
-  // Ensures that To is a sub-type of From *.  This test is here only
-  // for compile-time type checking, and has no overhead in an
-  // optimized build at run-time, as it will be optimized away
-  // completely.
-  if (false) {
-    const To to = NULL;
-    ::testing::internal::ImplicitCast_<From*>(to);
-  }
-
-#if GTEST_HAS_RTTI
-  // RTTI: debug mode only!
-  GTEST_CHECK_(f == NULL || dynamic_cast<To>(f) != NULL);
-#endif
-  return static_cast<To>(f);
-}
-
-// Downcasts the pointer of type Base to Derived.
-// Derived must be a subclass of Base. The parameter MUST
-// point to a class of type Derived, not any subclass of it.
-// When RTTI is available, the function performs a runtime
-// check to enforce this.
-template <class Derived, class Base>
-Derived* CheckedDowncastToActualType(Base* base) {
-#if GTEST_HAS_RTTI
-  GTEST_CHECK_(typeid(*base) == typeid(Derived));
-  return dynamic_cast<Derived*>(base);  // NOLINT
-#else
-  return static_cast<Derived*>(base);  // Poor man's downcast.
-#endif
-}
-
-#if GTEST_HAS_STREAM_REDIRECTION
-
-// Defines the stderr capturer:
-//   CaptureStdout     - starts capturing stdout.
-//   GetCapturedStdout - stops capturing stdout and returns the captured string.
-//   CaptureStderr     - starts capturing stderr.
-//   GetCapturedStderr - stops capturing stderr and returns the captured string.
-//
-GTEST_API_ void CaptureStdout();
-GTEST_API_ std::string GetCapturedStdout();
-GTEST_API_ void CaptureStderr();
-GTEST_API_ std::string GetCapturedStderr();
-
-#endif  // GTEST_HAS_STREAM_REDIRECTION
-
-
-#if GTEST_HAS_DEATH_TEST
-
-const ::std::vector<testing::internal::string>& GetInjectableArgvs();
-void SetInjectableArgvs(const ::std::vector<testing::internal::string>*
-                             new_argvs);
-
-// A copy of all command line arguments.  Set by InitGoogleTest().
-extern ::std::vector<testing::internal::string> g_argvs;
-
-#endif  // GTEST_HAS_DEATH_TEST
-
-// Defines synchronization primitives.
-
-#if GTEST_HAS_PTHREAD
-
-// Sleeps for (roughly) n milli-seconds.  This function is only for
-// testing Google Test's own constructs.  Don't use it in user tests,
-// either directly or indirectly.
-inline void SleepMilliseconds(int n) {
-  const timespec time = {
-    0,                  // 0 seconds.
-    n * 1000L * 1000L,  // And n ms.
-  };
-  nanosleep(&time, NULL);
-}
-
-// Allows a controller thread to pause execution of newly created
-// threads until notified.  Instances of this class must be created
-// and destroyed in the controller thread.
-//
-// This class is only for testing Google Test's own constructs. Do not
-// use it in user tests, either directly or indirectly.
-class Notification {
- public:
-  Notification() : notified_(false) {
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_init(&mutex_, NULL));
-  }
-  ~Notification() {
-    pthread_mutex_destroy(&mutex_);
-  }
-
-  // Notifies all threads created with this notification to start. Must
-  // be called from the controller thread.
-  void Notify() {
-    pthread_mutex_lock(&mutex_);
-    notified_ = true;
-    pthread_mutex_unlock(&mutex_);
-  }
-
-  // Blocks until the controller thread notifies. Must be called from a test
-  // thread.
-  void WaitForNotification() {
-    for (;;) {
-      pthread_mutex_lock(&mutex_);
-      const bool notified = notified_;
-      pthread_mutex_unlock(&mutex_);
-      if (notified)
-        break;
-      SleepMilliseconds(10);
-    }
-  }
-
- private:
-  pthread_mutex_t mutex_;
-  bool notified_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(Notification);
-};
-
-// As a C-function, ThreadFuncWithCLinkage cannot be templated itself.
-// Consequently, it cannot select a correct instantiation of ThreadWithParam
-// in order to call its Run(). Introducing ThreadWithParamBase as a
-// non-templated base class for ThreadWithParam allows us to bypass this
-// problem.
-class ThreadWithParamBase {
- public:
-  virtual ~ThreadWithParamBase() {}
-  virtual void Run() = 0;
-};
-
-// pthread_create() accepts a pointer to a function type with the C linkage.
-// According to the Standard (7.5/1), function types with different linkages
-// are different even if they are otherwise identical.  Some compilers (for
-// example, SunStudio) treat them as different types.  Since class methods
-// cannot be defined with C-linkage we need to define a free C-function to
-// pass into pthread_create().
-extern "C" inline void* ThreadFuncWithCLinkage(void* thread) {
-  static_cast<ThreadWithParamBase*>(thread)->Run();
-  return NULL;
-}
-
-// Helper class for testing Google Test's multi-threading constructs.
-// To use it, write:
-//
-//   void ThreadFunc(int param) { /* Do things with param */ }
-//   Notification thread_can_start;
-//   ...
-//   // The thread_can_start parameter is optional; you can supply NULL.
-//   ThreadWithParam<int> thread(&ThreadFunc, 5, &thread_can_start);
-//   thread_can_start.Notify();
-//
-// These classes are only for testing Google Test's own constructs. Do
-// not use them in user tests, either directly or indirectly.
-template <typename T>
-class ThreadWithParam : public ThreadWithParamBase {
- public:
-  typedef void (*UserThreadFunc)(T);
-
-  ThreadWithParam(
-      UserThreadFunc func, T param, Notification* thread_can_start)
-      : func_(func),
-        param_(param),
-        thread_can_start_(thread_can_start),
-        finished_(false) {
-    ThreadWithParamBase* const base = this;
-    // The thread can be created only after all fields except thread_
-    // have been initialized.
-    GTEST_CHECK_POSIX_SUCCESS_(
-        pthread_create(&thread_, 0, &ThreadFuncWithCLinkage, base));
-  }
-  ~ThreadWithParam() { Join(); }
-
-  void Join() {
-    if (!finished_) {
-      GTEST_CHECK_POSIX_SUCCESS_(pthread_join(thread_, 0));
-      finished_ = true;
-    }
-  }
-
-  virtual void Run() {
-    if (thread_can_start_ != NULL)
-      thread_can_start_->WaitForNotification();
-    func_(param_);
-  }
-
- private:
-  const UserThreadFunc func_;  // User-supplied thread function.
-  const T param_;  // User-supplied parameter to the thread function.
-  // When non-NULL, used to block execution until the controller thread
-  // notifies.
-  Notification* const thread_can_start_;
-  bool finished_;  // true iff we know that the thread function has finished.
-  pthread_t thread_;  // The native thread object.
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ThreadWithParam);
-};
-
-// MutexBase and Mutex implement mutex on pthreads-based platforms. They
-// are used in conjunction with class MutexLock:
-//
-//   Mutex mutex;
-//   ...
-//   MutexLock lock(&mutex);  // Acquires the mutex and releases it at the end
-//                            // of the current scope.
-//
-// MutexBase implements behavior for both statically and dynamically
-// allocated mutexes.  Do not use MutexBase directly.  Instead, write
-// the following to define a static mutex:
-//
-//   GTEST_DEFINE_STATIC_MUTEX_(g_some_mutex);
-//
-// You can forward declare a static mutex like this:
-//
-//   GTEST_DECLARE_STATIC_MUTEX_(g_some_mutex);
-//
-// To create a dynamic mutex, just define an object of type Mutex.
-class MutexBase {
- public:
-  // Acquires this mutex.
-  void Lock() {
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_lock(&mutex_));
-    owner_ = pthread_self();
-    has_owner_ = true;
-  }
-
-  // Releases this mutex.
-  void Unlock() {
-    // Since the lock is being released the owner_ field should no longer be
-    // considered valid. We don't protect writing to has_owner_ here, as it's
-    // the caller's responsibility to ensure that the current thread holds the
-    // mutex when this is called.
-    has_owner_ = false;
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_unlock(&mutex_));
-  }
-
-  // Does nothing if the current thread holds the mutex. Otherwise, crashes
-  // with high probability.
-  void AssertHeld() const {
-    GTEST_CHECK_(has_owner_ && pthread_equal(owner_, pthread_self()))
-        << "The current thread is not holding the mutex @" << this;
-  }
-
-  // A static mutex may be used before main() is entered.  It may even
-  // be used before the dynamic initialization stage.  Therefore we
-  // must be able to initialize a static mutex object at link time.
-  // This means MutexBase has to be a POD and its member variables
-  // have to be public.
- public:
-  pthread_mutex_t mutex_;  // The underlying pthread mutex.
-  // has_owner_ indicates whether the owner_ field below contains a valid thread
-  // ID and is therefore safe to inspect (e.g., to use in pthread_equal()). All
-  // accesses to the owner_ field should be protected by a check of this field.
-  // An alternative might be to memset() owner_ to all zeros, but there's no
-  // guarantee that a zero'd pthread_t is necessarily invalid or even different
-  // from pthread_self().
-  bool has_owner_;
-  pthread_t owner_;  // The thread holding the mutex.
-};
-
-// Forward-declares a static mutex.
-# define GTEST_DECLARE_STATIC_MUTEX_(mutex) \
-    extern ::testing::internal::MutexBase mutex
-
-// Defines and statically (i.e. at link time) initializes a static mutex.
-// The initialization list here does not explicitly initialize each field,
-// instead relying on default initialization for the unspecified fields. In
-// particular, the owner_ field (a pthread_t) is not explicitly initialized.
-// This allows initialization to work whether pthread_t is a scalar or struct.
-// The flag -Wmissing-field-initializers must not be specified for this to work.
-# define GTEST_DEFINE_STATIC_MUTEX_(mutex) \
-    ::testing::internal::MutexBase mutex = { PTHREAD_MUTEX_INITIALIZER, false }
-
-// The Mutex class can only be used for mutexes created at runtime. It
-// shares its API with MutexBase otherwise.
-class Mutex : public MutexBase {
- public:
-  Mutex() {
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_init(&mutex_, NULL));
-    has_owner_ = false;
-  }
-  ~Mutex() {
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_mutex_destroy(&mutex_));
-  }
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(Mutex);
-};
-
-// We cannot name this class MutexLock as the ctor declaration would
-// conflict with a macro named MutexLock, which is defined on some
-// platforms.  Hence the typedef trick below.
-class GTestMutexLock {
- public:
-  explicit GTestMutexLock(MutexBase* mutex)
-      : mutex_(mutex) { mutex_->Lock(); }
-
-  ~GTestMutexLock() { mutex_->Unlock(); }
-
- private:
-  MutexBase* const mutex_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(GTestMutexLock);
-};
-
-typedef GTestMutexLock MutexLock;
-
-// Helpers for ThreadLocal.
-
-// pthread_key_create() requires DeleteThreadLocalValue() to have
-// C-linkage.  Therefore it cannot be templatized to access
-// ThreadLocal<T>.  Hence the need for class
-// ThreadLocalValueHolderBase.
-class ThreadLocalValueHolderBase {
- public:
-  virtual ~ThreadLocalValueHolderBase() {}
-};
-
-// Called by pthread to delete thread-local data stored by
-// pthread_setspecific().
-extern "C" inline void DeleteThreadLocalValue(void* value_holder) {
-  delete static_cast<ThreadLocalValueHolderBase*>(value_holder);
-}
-
-// Implements thread-local storage on pthreads-based systems.
-//
-//   // Thread 1
-//   ThreadLocal<int> tl(100);  // 100 is the default value for each thread.
-//
-//   // Thread 2
-//   tl.set(150);  // Changes the value for thread 2 only.
-//   EXPECT_EQ(150, tl.get());
-//
-//   // Thread 1
-//   EXPECT_EQ(100, tl.get());  // In thread 1, tl has the original value.
-//   tl.set(200);
-//   EXPECT_EQ(200, tl.get());
-//
-// The template type argument T must have a public copy constructor.
-// In addition, the default ThreadLocal constructor requires T to have
-// a public default constructor.
-//
-// An object managed for a thread by a ThreadLocal instance is deleted
-// when the thread exits.  Or, if the ThreadLocal instance dies in
-// that thread, when the ThreadLocal dies.  It's the user's
-// responsibility to ensure that all other threads using a ThreadLocal
-// have exited when it dies, or the per-thread objects for those
-// threads will not be deleted.
-//
-// Google Test only uses global ThreadLocal objects.  That means they
-// will die after main() has returned.  Therefore, no per-thread
-// object managed by Google Test will be leaked as long as all threads
-// using Google Test have exited when main() returns.
-template <typename T>
-class ThreadLocal {
- public:
-  ThreadLocal() : key_(CreateKey()),
-                  default_() {}
-  explicit ThreadLocal(const T& value) : key_(CreateKey()),
-                                         default_(value) {}
-
-  ~ThreadLocal() {
-    // Destroys the managed object for the current thread, if any.
-    DeleteThreadLocalValue(pthread_getspecific(key_));
-
-    // Releases resources associated with the key.  This will *not*
-    // delete managed objects for other threads.
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_key_delete(key_));
-  }
-
-  T* pointer() { return GetOrCreateValue(); }
-  const T* pointer() const { return GetOrCreateValue(); }
-  const T& get() const { return *pointer(); }
-  void set(const T& value) { *pointer() = value; }
-
- private:
-  // Holds a value of type T.
-  class ValueHolder : public ThreadLocalValueHolderBase {
-   public:
-    explicit ValueHolder(const T& value) : value_(value) {}
-
-    T* pointer() { return &value_; }
-
-   private:
-    T value_;
-    GTEST_DISALLOW_COPY_AND_ASSIGN_(ValueHolder);
-  };
-
-  static pthread_key_t CreateKey() {
-    pthread_key_t key;
-    // When a thread exits, DeleteThreadLocalValue() will be called on
-    // the object managed for that thread.
-    GTEST_CHECK_POSIX_SUCCESS_(
-        pthread_key_create(&key, &DeleteThreadLocalValue));
-    return key;
-  }
-
-  T* GetOrCreateValue() const {
-    ThreadLocalValueHolderBase* const holder =
-        static_cast<ThreadLocalValueHolderBase*>(pthread_getspecific(key_));
-    if (holder != NULL) {
-      return CheckedDowncastToActualType<ValueHolder>(holder)->pointer();
-    }
-
-    ValueHolder* const new_holder = new ValueHolder(default_);
-    ThreadLocalValueHolderBase* const holder_base = new_holder;
-    GTEST_CHECK_POSIX_SUCCESS_(pthread_setspecific(key_, holder_base));
-    return new_holder->pointer();
-  }
-
-  // A key pthreads uses for looking up per-thread values.
-  const pthread_key_t key_;
-  const T default_;  // The default value for each thread.
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ThreadLocal);
-};
-
-# define GTEST_IS_THREADSAFE 1
-
-#else  // GTEST_HAS_PTHREAD
-
-// A dummy implementation of synchronization primitives (mutex, lock,
-// and thread-local variable).  Necessary for compiling Google Test where
-// mutex is not supported - using Google Test in multiple threads is not
-// supported on such platforms.
-
-class Mutex {
- public:
-  Mutex() {}
-  void Lock() {}
-  void Unlock() {}
-  void AssertHeld() const {}
-};
-
-# define GTEST_DECLARE_STATIC_MUTEX_(mutex) \
-  extern ::testing::internal::Mutex mutex
-
-# define GTEST_DEFINE_STATIC_MUTEX_(mutex) ::testing::internal::Mutex mutex
-
-class GTestMutexLock {
- public:
-  explicit GTestMutexLock(Mutex*) {}  // NOLINT
-};
-
-typedef GTestMutexLock MutexLock;
-
-template <typename T>
-class ThreadLocal {
- public:
-  ThreadLocal() : value_() {}
-  explicit ThreadLocal(const T& value) : value_(value) {}
-  T* pointer() { return &value_; }
-  const T* pointer() const { return &value_; }
-  const T& get() const { return value_; }
-  void set(const T& value) { value_ = value; }
- private:
-  T value_;
-};
-
-// The above synchronization primitives have dummy implementations.
-// Therefore Google Test is not thread-safe.
-# define GTEST_IS_THREADSAFE 0
-
-#endif  // GTEST_HAS_PTHREAD
-
-// Returns the number of threads running in the process, or 0 to indicate that
-// we cannot detect it.
-GTEST_API_ size_t GetThreadCount();
-
-// Passing non-POD classes through ellipsis (...) crashes the ARM
-// compiler and generates a warning in Sun Studio.  The Nokia Symbian
-// and the IBM XL C/C++ compiler try to instantiate a copy constructor
-// for objects passed through ellipsis (...), failing for uncopyable
-// objects.  We define this to ensure that only POD is passed through
-// ellipsis on these systems.
-#if defined(__SYMBIAN32__) || defined(__IBMCPP__) || defined(__SUNPRO_CC)
-// We lose support for NULL detection where the compiler doesn't like
-// passing non-POD classes through ellipsis (...).
-# define GTEST_ELLIPSIS_NEEDS_POD_ 1
-#else
-# define GTEST_CAN_COMPARE_NULL 1
-#endif
-
-// The Nokia Symbian and IBM XL C/C++ compilers cannot decide between
-// const T& and const T* in a function template.  These compilers
-// _can_ decide between class template specializations for T and T*,
-// so a tr1::type_traits-like is_pointer works.
-#if defined(__SYMBIAN32__) || defined(__IBMCPP__)
-# define GTEST_NEEDS_IS_POINTER_ 1
-#endif
-
-template <bool bool_value>
-struct bool_constant {
-  typedef bool_constant<bool_value> type;
-  static const bool value = bool_value;
-};
-template <bool bool_value> const bool bool_constant<bool_value>::value;
-
-typedef bool_constant<false> false_type;
-typedef bool_constant<true> true_type;
-
-template <typename T>
-struct is_pointer : public false_type {};
-
-template <typename T>
-struct is_pointer<T*> : public true_type {};
-
-template <typename Iterator>
-struct IteratorTraits {
-  typedef typename Iterator::value_type value_type;
-};
-
-template <typename T>
-struct IteratorTraits<T*> {
-  typedef T value_type;
-};
-
-template <typename T>
-struct IteratorTraits<const T*> {
-  typedef T value_type;
-};
-
-#if GTEST_OS_WINDOWS
-# define GTEST_PATH_SEP_ "\\"
-# define GTEST_HAS_ALT_PATH_SEP_ 1
-// The biggest signed integer type the compiler supports.
-typedef __int64 BiggestInt;
-#else
-# define GTEST_PATH_SEP_ "/"
-# define GTEST_HAS_ALT_PATH_SEP_ 0
-typedef long long BiggestInt;  // NOLINT
-#endif  // GTEST_OS_WINDOWS
-
-// Utilities for char.
-
-// isspace(int ch) and friends accept an unsigned char or EOF.  char
-// may be signed, depending on the compiler (or compiler flags).
-// Therefore we need to cast a char to unsigned char before calling
-// isspace(), etc.
-
-inline bool IsAlpha(char ch) {
-  return isalpha(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsAlNum(char ch) {
-  return isalnum(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsDigit(char ch) {
-  return isdigit(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsLower(char ch) {
-  return islower(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsSpace(char ch) {
-  return isspace(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsUpper(char ch) {
-  return isupper(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsXDigit(char ch) {
-  return isxdigit(static_cast<unsigned char>(ch)) != 0;
-}
-inline bool IsXDigit(wchar_t ch) {
-  const unsigned char low_byte = static_cast<unsigned char>(ch);
-  return ch == low_byte && isxdigit(low_byte) != 0;
-}
-
-inline char ToLower(char ch) {
-  return static_cast<char>(tolower(static_cast<unsigned char>(ch)));
-}
-inline char ToUpper(char ch) {
-  return static_cast<char>(toupper(static_cast<unsigned char>(ch)));
-}
-
-// The testing::internal::posix namespace holds wrappers for common
-// POSIX functions.  These wrappers hide the differences between
-// Windows/MSVC and POSIX systems.  Since some compilers define these
-// standard functions as macros, the wrapper cannot have the same name
-// as the wrapped function.
-
-namespace posix {
-
-// Functions with a different name on Windows.
-
-#if GTEST_OS_WINDOWS
-
-typedef struct _stat StatStruct;
-
-# ifdef __BORLANDC__
-inline int IsATTY(int fd) { return isatty(fd); }
-inline int StrCaseCmp(const char* s1, const char* s2) {
-  return stricmp(s1, s2);
-}
-inline char* StrDup(const char* src) { return strdup(src); }
-# else  // !__BORLANDC__
-#  if GTEST_OS_WINDOWS_MOBILE
-inline int IsATTY(int /* fd */) { return 0; }
-#  else
-inline int IsATTY(int fd) { return _isatty(fd); }
-#  endif  // GTEST_OS_WINDOWS_MOBILE
-inline int StrCaseCmp(const char* s1, const char* s2) {
-  return _stricmp(s1, s2);
-}
-inline char* StrDup(const char* src) { return _strdup(src); }
-# endif  // __BORLANDC__
-
-# if GTEST_OS_WINDOWS_MOBILE
-inline int FileNo(FILE* file) { return reinterpret_cast<int>(_fileno(file)); }
-// Stat(), RmDir(), and IsDir() are not needed on Windows CE at this
-// time and thus not defined there.
-# else
-inline int FileNo(FILE* file) { return _fileno(file); }
-inline int Stat(const char* path, StatStruct* buf) { return _stat(path, buf); }
-inline int RmDir(const char* dir) { return _rmdir(dir); }
-inline bool IsDir(const StatStruct& st) {
-  return (_S_IFDIR & st.st_mode) != 0;
-}
-# endif  // GTEST_OS_WINDOWS_MOBILE
-
-#else
-
-typedef struct stat StatStruct;
-
-inline int FileNo(FILE* file) { return fileno(file); }
-inline int IsATTY(int fd) { return isatty(fd); }
-inline int Stat(const char* path, StatStruct* buf) { return stat(path, buf); }
-inline int StrCaseCmp(const char* s1, const char* s2) {
-  return strcasecmp(s1, s2);
-}
-inline char* StrDup(const char* src) { return strdup(src); }
-inline int RmDir(const char* dir) { return rmdir(dir); }
-inline bool IsDir(const StatStruct& st) { return S_ISDIR(st.st_mode); }
-
-#endif  // GTEST_OS_WINDOWS
-
-// Functions deprecated by MSVC 8.0.
-
-#ifdef _MSC_VER
-// Temporarily disable warning 4996 (deprecated function).
-# pragma warning(push)
-# pragma warning(disable:4996)
-#endif
-
-inline const char* StrNCpy(char* dest, const char* src, size_t n) {
-  return strncpy(dest, src, n);
-}
-
-// ChDir(), FReopen(), FDOpen(), Read(), Write(), Close(), and
-// StrError() aren't needed on Windows CE at this time and thus not
-// defined there.
-
-#if !GTEST_OS_WINDOWS_MOBILE
-inline int ChDir(const char* dir) { return chdir(dir); }
-#endif
-inline FILE* FOpen(const char* path, const char* mode) {
-  return fopen(path, mode);
-}
-#if !GTEST_OS_WINDOWS_MOBILE
-inline FILE *FReopen(const char* path, const char* mode, FILE* stream) {
-  return freopen(path, mode, stream);
-}
-inline FILE* FDOpen(int fd, const char* mode) { return fdopen(fd, mode); }
-#endif
-inline int FClose(FILE* fp) { return fclose(fp); }
-#if !GTEST_OS_WINDOWS_MOBILE
-inline int Read(int fd, void* buf, unsigned int count) {
-  return static_cast<int>(read(fd, buf, count));
-}
-inline int Write(int fd, const void* buf, unsigned int count) {
-  return static_cast<int>(write(fd, buf, count));
-}
-inline int Close(int fd) { return close(fd); }
-inline const char* StrError(int errnum) { return strerror(errnum); }
-#endif
-inline const char* GetEnv(const char* name) {
-#if GTEST_OS_WINDOWS_MOBILE
-  // We are on Windows CE, which has no environment variables.
-  return NULL;
-#elif defined(__BORLANDC__) || defined(__SunOS_5_8) || defined(__SunOS_5_9)
-  // Environment variables which we programmatically clear will be set to the
-  // empty string rather than unset (NULL).  Handle that case.
-  const char* const env = getenv(name);
-  return (env != NULL && env[0] != '\0') ? env : NULL;
-#else
-  return getenv(name);
-#endif
-}
-
-#ifdef _MSC_VER
-# pragma warning(pop)  // Restores the warning state.
-#endif
-
-#if GTEST_OS_WINDOWS_MOBILE
-// Windows CE has no C library. The abort() function is used in
-// several places in Google Test. This implementation provides a reasonable
-// imitation of standard behaviour.
-void Abort();
-#else
-inline void Abort() { abort(); }
-#endif  // GTEST_OS_WINDOWS_MOBILE
-
-}  // namespace posix
-
-// MSVC "deprecates" snprintf and issues warnings wherever it is used.  In
-// order to avoid these warnings, we need to use _snprintf or _snprintf_s on
-// MSVC-based platforms.  We map the GTEST_SNPRINTF_ macro to the appropriate
-// function in order to achieve that.  We use macro definition here because
-// snprintf is a variadic function.
-#if _MSC_VER >= 1400 && !GTEST_OS_WINDOWS_MOBILE
-// MSVC 2005 and above support variadic macros.
-# define GTEST_SNPRINTF_(buffer, size, format, ...) \
-     _snprintf_s(buffer, size, size, format, __VA_ARGS__)
-#elif defined(_MSC_VER)
-// Windows CE does not define _snprintf_s and MSVC prior to 2005 doesn't
-// complain about _snprintf.
-# define GTEST_SNPRINTF_ _snprintf
-#else
-# define GTEST_SNPRINTF_ snprintf
-#endif
-
-// The maximum number a BiggestInt can represent.  This definition
-// works no matter BiggestInt is represented in one's complement or
-// two's complement.
-//
-// We cannot rely on numeric_limits in STL, as __int64 and long long
-// are not part of standard C++ and numeric_limits doesn't need to be
-// defined for them.
-const BiggestInt kMaxBiggestInt =
-    ~(static_cast<BiggestInt>(1) << (8*sizeof(BiggestInt) - 1));
-
-// This template class serves as a compile-time function from size to
-// type.  It maps a size in bytes to a primitive type with that
-// size. e.g.
-//
-//   TypeWithSize<4>::UInt
-//
-// is typedef-ed to be unsigned int (unsigned integer made up of 4
-// bytes).
-//
-// Such functionality should belong to STL, but I cannot find it
-// there.
-//
-// Google Test uses this class in the implementation of floating-point
-// comparison.
-//
-// For now it only handles UInt (unsigned int) as that's all Google Test
-// needs.  Other types can be easily added in the future if need
-// arises.
-template <size_t size>
-class TypeWithSize {
- public:
-  // This prevents the user from using TypeWithSize<N> with incorrect
-  // values of N.
-  typedef void UInt;
-};
-
-// The specialization for size 4.
-template <>
-class TypeWithSize<4> {
- public:
-  // unsigned int has size 4 in both gcc and MSVC.
-  //
-  // As base/basictypes.h doesn't compile on Windows, we cannot use
-  // uint32, uint64, and etc here.
-  typedef int Int;
-  typedef unsigned int UInt;
-};
-
-// The specialization for size 8.
-template <>
-class TypeWithSize<8> {
- public:
-#if GTEST_OS_WINDOWS
-  typedef __int64 Int;
-  typedef unsigned __int64 UInt;
-#else
-  typedef long long Int;  // NOLINT
-  typedef unsigned long long UInt;  // NOLINT
-#endif  // GTEST_OS_WINDOWS
-};
-
-// Integer types of known sizes.
-typedef TypeWithSize<4>::Int Int32;
-typedef TypeWithSize<4>::UInt UInt32;
-typedef TypeWithSize<8>::Int Int64;
-typedef TypeWithSize<8>::UInt UInt64;
-typedef TypeWithSize<8>::Int TimeInMillis;  // Represents time in milliseconds.
-
-// Utilities for command line flags and environment variables.
-
-// Macro for referencing flags.
-#define GTEST_FLAG(name) FLAGS_gtest_##name
-
-// Macros for declaring flags.
-#define GTEST_DECLARE_bool_(name) GTEST_API_ extern bool GTEST_FLAG(name)
-#define GTEST_DECLARE_int32_(name) \
-    GTEST_API_ extern ::testing::internal::Int32 GTEST_FLAG(name)
-#define GTEST_DECLARE_string_(name) \
-    GTEST_API_ extern ::std::string GTEST_FLAG(name)
-
-// Macros for defining flags.
-#define GTEST_DEFINE_bool_(name, default_val, doc) \
-    GTEST_API_ bool GTEST_FLAG(name) = (default_val)
-#define GTEST_DEFINE_int32_(name, default_val, doc) \
-    GTEST_API_ ::testing::internal::Int32 GTEST_FLAG(name) = (default_val)
-#define GTEST_DEFINE_string_(name, default_val, doc) \
-    GTEST_API_ ::std::string GTEST_FLAG(name) = (default_val)
-
-// Thread annotations
-#define GTEST_EXCLUSIVE_LOCK_REQUIRED_(locks)
-#define GTEST_LOCK_EXCLUDED_(locks)
-
-// Parses 'str' for a 32-bit signed integer.  If successful, writes the result
-// to *value and returns true; otherwise leaves *value unchanged and returns
-// false.
-// TODO(chandlerc): Find a better way to refactor flag and environment parsing
-// out of both gtest-port.cc and gtest.cc to avoid exporting this utility
-// function.
-bool ParseInt32(const Message& src_text, const char* str, Int32* value);
-
-// Parses a bool/Int32/string from the environment variable
-// corresponding to the given Google Test flag.
-bool BoolFromGTestEnv(const char* flag, bool default_val);
-GTEST_API_ Int32 Int32FromGTestEnv(const char* flag, Int32 default_val);
-const char* StringFromGTestEnv(const char* flag, const char* default_val);
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PORT_H_
-
-#if GTEST_OS_LINUX
-# include <stdlib.h>
-# include <sys/types.h>
-# include <sys/wait.h>
-# include <unistd.h>
-#endif  // GTEST_OS_LINUX
-
-#if GTEST_HAS_EXCEPTIONS
-# include <stdexcept>
-#endif
-
-#include <ctype.h>
-#include <float.h>
-#include <string.h>
-#include <iomanip>
-#include <limits>
-#include <set>
-
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file defines the Message class.
-//
-// IMPORTANT NOTE: Due to limitation of the C++ language, we have to
-// leave some internal implementation details in this header file.
-// They are clearly marked by comments like this:
-//
-//   // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-//
-// Such code is NOT meant to be used by a user directly, and is subject
-// to CHANGE WITHOUT NOTICE.  Therefore DO NOT DEPEND ON IT in a user
-// program!
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
-#define GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
-
-#include <limits>
-
-
-// Ensures that there is at least one operator<< in the global namespace.
-// See Message& operator<<(...) below for why.
-void operator<<(const testing::internal::Secret&, int);
-
-namespace testing {
-
-// The Message class works like an ostream repeater.
-//
-// Typical usage:
-//
-//   1. You stream a bunch of values to a Message object.
-//      It will remember the text in a stringstream.
-//   2. Then you stream the Message object to an ostream.
-//      This causes the text in the Message to be streamed
-//      to the ostream.
-//
-// For example;
-//
-//   testing::Message foo;
-//   foo << 1 << " != " << 2;
-//   std::cout << foo;
-//
-// will print "1 != 2".
-//
-// Message is not intended to be inherited from.  In particular, its
-// destructor is not virtual.
-//
-// Note that stringstream behaves differently in gcc and in MSVC.  You
-// can stream a NULL char pointer to it in the former, but not in the
-// latter (it causes an access violation if you do).  The Message
-// class hides this difference by treating a NULL char pointer as
-// "(null)".
-class GTEST_API_ Message {
- private:
-  // The type of basic IO manipulators (endl, ends, and flush) for
-  // narrow streams.
-  typedef std::ostream& (*BasicNarrowIoManip)(std::ostream&);
-
- public:
-  // Constructs an empty Message.
-  Message();
-
-  // Copy constructor.
-  Message(const Message& msg) : ss_(new ::std::stringstream) {  // NOLINT
-    *ss_ << msg.GetString();
-  }
-
-  // Constructs a Message from a C-string.
-  explicit Message(const char* str) : ss_(new ::std::stringstream) {
-    *ss_ << str;
-  }
-
-#if GTEST_OS_SYMBIAN
-  // Streams a value (either a pointer or not) to this object.
-  template <typename T>
-  inline Message& operator <<(const T& value) {
-    StreamHelper(typename internal::is_pointer<T>::type(), value);
-    return *this;
-  }
-#else
-  // Streams a non-pointer value to this object.
-  template <typename T>
-  inline Message& operator <<(const T& val) {
-    // Some libraries overload << for STL containers.  These
-    // overloads are defined in the global namespace instead of ::std.
-    //
-    // C++'s symbol lookup rule (i.e. Koenig lookup) says that these
-    // overloads are visible in either the std namespace or the global
-    // namespace, but not other namespaces, including the testing
-    // namespace which Google Test's Message class is in.
-    //
-    // To allow STL containers (and other types that has a << operator
-    // defined in the global namespace) to be used in Google Test
-    // assertions, testing::Message must access the custom << operator
-    // from the global namespace.  With this using declaration,
-    // overloads of << defined in the global namespace and those
-    // visible via Koenig lookup are both exposed in this function.
-    using ::operator <<;
-    *ss_ << val;
-    return *this;
-  }
-
-  // Streams a pointer value to this object.
-  //
-  // This function is an overload of the previous one.  When you
-  // stream a pointer to a Message, this definition will be used as it
-  // is more specialized.  (The C++ Standard, section
-  // [temp.func.order].)  If you stream a non-pointer, then the
-  // previous definition will be used.
-  //
-  // The reason for this overload is that streaming a NULL pointer to
-  // ostream is undefined behavior.  Depending on the compiler, you
-  // may get "0", "(nil)", "(null)", or an access violation.  To
-  // ensure consistent result across compilers, we always treat NULL
-  // as "(null)".
-  template <typename T>
-  inline Message& operator <<(T* const& pointer) {  // NOLINT
-    if (pointer == NULL) {
-      *ss_ << "(null)";
-    } else {
-      *ss_ << pointer;
-    }
-    return *this;
-  }
-#endif  // GTEST_OS_SYMBIAN
-
-  // Since the basic IO manipulators are overloaded for both narrow
-  // and wide streams, we have to provide this specialized definition
-  // of operator <<, even though its body is the same as the
-  // templatized version above.  Without this definition, streaming
-  // endl or other basic IO manipulators to Message will confuse the
-  // compiler.
-  Message& operator <<(BasicNarrowIoManip val) {
-    *ss_ << val;
-    return *this;
-  }
-
-  // Instead of 1/0, we want to see true/false for bool values.
-  Message& operator <<(bool b) {
-    return *this << (b ? "true" : "false");
-  }
-
-  // These two overloads allow streaming a wide C string to a Message
-  // using the UTF-8 encoding.
-  Message& operator <<(const wchar_t* wide_c_str);
-  Message& operator <<(wchar_t* wide_c_str);
-
-#if GTEST_HAS_STD_WSTRING
-  // Converts the given wide string to a narrow string using the UTF-8
-  // encoding, and streams the result to this Message object.
-  Message& operator <<(const ::std::wstring& wstr);
-#endif  // GTEST_HAS_STD_WSTRING
-
-#if GTEST_HAS_GLOBAL_WSTRING
-  // Converts the given wide string to a narrow string using the UTF-8
-  // encoding, and streams the result to this Message object.
-  Message& operator <<(const ::wstring& wstr);
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-  // Gets the text streamed to this object so far as an std::string.
-  // Each '\0' character in the buffer is replaced with "\\0".
-  //
-  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-  std::string GetString() const;
-
- private:
-
-#if GTEST_OS_SYMBIAN
-  // These are needed as the Nokia Symbian Compiler cannot decide between
-  // const T& and const T* in a function template. The Nokia compiler _can_
-  // decide between class template specializations for T and T*, so a
-  // tr1::type_traits-like is_pointer works, and we can overload on that.
-  template <typename T>
-  inline void StreamHelper(internal::true_type /*is_pointer*/, T* pointer) {
-    if (pointer == NULL) {
-      *ss_ << "(null)";
-    } else {
-      *ss_ << pointer;
-    }
-  }
-  template <typename T>
-  inline void StreamHelper(internal::false_type /*is_pointer*/,
-                           const T& value) {
-    // See the comments in Message& operator <<(const T&) above for why
-    // we need this using statement.
-    using ::operator <<;
-    *ss_ << value;
-  }
-#endif  // GTEST_OS_SYMBIAN
-
-  // We'll hold the text streamed to this object here.
-  const internal::scoped_ptr< ::std::stringstream> ss_;
-
-  // We declare (but don't implement) this to prevent the compiler
-  // from implementing the assignment operator.
-  void operator=(const Message&);
-};
-
-// Streams a Message to an ostream.
-inline std::ostream& operator <<(std::ostream& os, const Message& sb) {
-  return os << sb.GetString();
-}
-
-namespace internal {
-
-// Converts a streamable value to an std::string.  A NULL pointer is
-// converted to "(null)".  When the input value is a ::string,
-// ::std::string, ::wstring, or ::std::wstring object, each NUL
-// character in it is replaced with "\\0".
-template <typename T>
-std::string StreamableToString(const T& streamable) {
-  return (Message() << streamable).GetString();
-}
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_MESSAGE_H_
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file declares the String class and functions used internally by
-// Google Test.  They are subject to change without notice. They should not used
-// by code external to Google Test.
-//
-// This header file is #included by <gtest/internal/gtest-internal.h>.
-// It should not be #included by other files.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
-
-#ifdef __BORLANDC__
-// string.h is not guaranteed to provide strcpy on C++ Builder.
-# include <mem.h>
-#endif
-
-#include <string.h>
-#include <string>
-
-
-namespace testing {
-namespace internal {
-
-// String - an abstract class holding static string utilities.
-class GTEST_API_ String {
- public:
-  // Static utility methods
-
-  // Clones a 0-terminated C string, allocating memory using new.  The
-  // caller is responsible for deleting the return value using
-  // delete[].  Returns the cloned string, or NULL if the input is
-  // NULL.
-  //
-  // This is different from strdup() in string.h, which allocates
-  // memory using malloc().
-  static const char* CloneCString(const char* c_str);
-
-#if GTEST_OS_WINDOWS_MOBILE
-  // Windows CE does not have the 'ANSI' versions of Win32 APIs. To be
-  // able to pass strings to Win32 APIs on CE we need to convert them
-  // to 'Unicode', UTF-16.
-
-  // Creates a UTF-16 wide string from the given ANSI string, allocating
-  // memory using new. The caller is responsible for deleting the return
-  // value using delete[]. Returns the wide string, or NULL if the
-  // input is NULL.
-  //
-  // The wide string is created using the ANSI codepage (CP_ACP) to
-  // match the behaviour of the ANSI versions of Win32 calls and the
-  // C runtime.
-  static LPCWSTR AnsiToUtf16(const char* c_str);
-
-  // Creates an ANSI string from the given wide string, allocating
-  // memory using new. The caller is responsible for deleting the return
-  // value using delete[]. Returns the ANSI string, or NULL if the
-  // input is NULL.
-  //
-  // The returned string is created using the ANSI codepage (CP_ACP) to
-  // match the behaviour of the ANSI versions of Win32 calls and the
-  // C runtime.
-  static const char* Utf16ToAnsi(LPCWSTR utf16_str);
-#endif
-
-  // Compares two C strings.  Returns true iff they have the same content.
-  //
-  // Unlike strcmp(), this function can handle NULL argument(s).  A
-  // NULL C string is considered different to any non-NULL C string,
-  // including the empty string.
-  static bool CStringEquals(const char* lhs, const char* rhs);
-
-  // Converts a wide C string to a String using the UTF-8 encoding.
-  // NULL will be converted to "(null)".  If an error occurred during
-  // the conversion, "(failed to convert from wide string)" is
-  // returned.
-  static std::string ShowWideCString(const wchar_t* wide_c_str);
-
-  // Compares two wide C strings.  Returns true iff they have the same
-  // content.
-  //
-  // Unlike wcscmp(), this function can handle NULL argument(s).  A
-  // NULL C string is considered different to any non-NULL C string,
-  // including the empty string.
-  static bool WideCStringEquals(const wchar_t* lhs, const wchar_t* rhs);
-
-  // Compares two C strings, ignoring case.  Returns true iff they
-  // have the same content.
-  //
-  // Unlike strcasecmp(), this function can handle NULL argument(s).
-  // A NULL C string is considered different to any non-NULL C string,
-  // including the empty string.
-  static bool CaseInsensitiveCStringEquals(const char* lhs,
-                                           const char* rhs);
-
-  // Compares two wide C strings, ignoring case.  Returns true iff they
-  // have the same content.
-  //
-  // Unlike wcscasecmp(), this function can handle NULL argument(s).
-  // A NULL C string is considered different to any non-NULL wide C string,
-  // including the empty string.
-  // NB: The implementations on different platforms slightly differ.
-  // On windows, this method uses _wcsicmp which compares according to LC_CTYPE
-  // environment variable. On GNU platform this method uses wcscasecmp
-  // which compares according to LC_CTYPE category of the current locale.
-  // On MacOS X, it uses towlower, which also uses LC_CTYPE category of the
-  // current locale.
-  static bool CaseInsensitiveWideCStringEquals(const wchar_t* lhs,
-                                               const wchar_t* rhs);
-
-  // Returns true iff the given string ends with the given suffix, ignoring
-  // case. Any string is considered to end with an empty suffix.
-  static bool EndsWithCaseInsensitive(
-      const std::string& str, const std::string& suffix);
-
-  // Formats an int value as "%02d".
-  static std::string FormatIntWidth2(int value);  // "%02d" for width == 2
-
-  // Formats an int value as "%X".
-  static std::string FormatHexInt(int value);
-
-  // Formats a byte as "%02X".
-  static std::string FormatByte(unsigned char value);
-
- private:
-  String();  // Not meant to be instantiated.
-};  // class String
-
-// Gets the content of the stringstream's buffer as an std::string.  Each '\0'
-// character in the buffer is replaced with "\\0".
-GTEST_API_ std::string StringStreamToString(::std::stringstream* stream);
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_STRING_H_
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: keith.ray@gmail.com (Keith Ray)
-//
-// Google Test filepath utilities
-//
-// This header file declares classes and functions used internally by
-// Google Test.  They are subject to change without notice.
-//
-// This file is #included in <gtest/internal/gtest-internal.h>.
-// Do not include this header file separately!
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
-
-
-namespace testing {
-namespace internal {
-
-// FilePath - a class for file and directory pathname manipulation which
-// handles platform-specific conventions (like the pathname separator).
-// Used for helper functions for naming files in a directory for xml output.
-// Except for Set methods, all methods are const or static, which provides an
-// "immutable value object" -- useful for peace of mind.
-// A FilePath with a value ending in a path separator ("like/this/") represents
-// a directory, otherwise it is assumed to represent a file. In either case,
-// it may or may not represent an actual file or directory in the file system.
-// Names are NOT checked for syntax correctness -- no checking for illegal
-// characters, malformed paths, etc.
-
-class GTEST_API_ FilePath {
- public:
-  FilePath() : pathname_("") { }
-  FilePath(const FilePath& rhs) : pathname_(rhs.pathname_) { }
-
-  explicit FilePath(const std::string& pathname) : pathname_(pathname) {
-    Normalize();
-  }
-
-  FilePath& operator=(const FilePath& rhs) {
-    Set(rhs);
-    return *this;
-  }
-
-  void Set(const FilePath& rhs) {
-    pathname_ = rhs.pathname_;
-  }
-
-  const std::string& string() const { return pathname_; }
-  const char* c_str() const { return pathname_.c_str(); }
-
-  // Returns the current working directory, or "" if unsuccessful.
-  static FilePath GetCurrentDir();
-
-  // Given directory = "dir", base_name = "test", number = 0,
-  // extension = "xml", returns "dir/test.xml". If number is greater
-  // than zero (e.g., 12), returns "dir/test_12.xml".
-  // On Windows platform, uses \ as the separator rather than /.
-  static FilePath MakeFileName(const FilePath& directory,
-                               const FilePath& base_name,
-                               int number,
-                               const char* extension);
-
-  // Given directory = "dir", relative_path = "test.xml",
-  // returns "dir/test.xml".
-  // On Windows, uses \ as the separator rather than /.
-  static FilePath ConcatPaths(const FilePath& directory,
-                              const FilePath& relative_path);
-
-  // Returns a pathname for a file that does not currently exist. The pathname
-  // will be directory/base_name.extension or
-  // directory/base_name_<number>.extension if directory/base_name.extension
-  // already exists. The number will be incremented until a pathname is found
-  // that does not already exist.
-  // Examples: 'dir/foo_test.xml' or 'dir/foo_test_1.xml'.
-  // There could be a race condition if two or more processes are calling this
-  // function at the same time -- they could both pick the same filename.
-  static FilePath GenerateUniqueFileName(const FilePath& directory,
-                                         const FilePath& base_name,
-                                         const char* extension);
-
-  // Returns true iff the path is "".
-  bool IsEmpty() const { return pathname_.empty(); }
-
-  // If input name has a trailing separator character, removes it and returns
-  // the name, otherwise return the name string unmodified.
-  // On Windows platform, uses \ as the separator, other platforms use /.
-  FilePath RemoveTrailingPathSeparator() const;
-
-  // Returns a copy of the FilePath with the directory part removed.
-  // Example: FilePath("path/to/file").RemoveDirectoryName() returns
-  // FilePath("file"). If there is no directory part ("just_a_file"), it returns
-  // the FilePath unmodified. If there is no file part ("just_a_dir/") it
-  // returns an empty FilePath ("").
-  // On Windows platform, '\' is the path separator, otherwise it is '/'.
-  FilePath RemoveDirectoryName() const;
-
-  // RemoveFileName returns the directory path with the filename removed.
-  // Example: FilePath("path/to/file").RemoveFileName() returns "path/to/".
-  // If the FilePath is "a_file" or "/a_file", RemoveFileName returns
-  // FilePath("./") or, on Windows, FilePath(".\\"). If the filepath does
-  // not have a file, like "just/a/dir/", it returns the FilePath unmodified.
-  // On Windows platform, '\' is the path separator, otherwise it is '/'.
-  FilePath RemoveFileName() const;
-
-  // Returns a copy of the FilePath with the case-insensitive extension removed.
-  // Example: FilePath("dir/file.exe").RemoveExtension("EXE") returns
-  // FilePath("dir/file"). If a case-insensitive extension is not
-  // found, returns a copy of the original FilePath.
-  FilePath RemoveExtension(const char* extension) const;
-
-  // Creates directories so that path exists. Returns true if successful or if
-  // the directories already exist; returns false if unable to create
-  // directories for any reason. Will also return false if the FilePath does
-  // not represent a directory (that is, it doesn't end with a path separator).
-  bool CreateDirectoriesRecursively() const;
-
-  // Create the directory so that path exists. Returns true if successful or
-  // if the directory already exists; returns false if unable to create the
-  // directory for any reason, including if the parent directory does not
-  // exist. Not named "CreateDirectory" because that's a macro on Windows.
-  bool CreateFolder() const;
-
-  // Returns true if FilePath describes something in the file-system,
-  // either a file, directory, or whatever, and that something exists.
-  bool FileOrDirectoryExists() const;
-
-  // Returns true if pathname describes a directory in the file-system
-  // that exists.
-  bool DirectoryExists() const;
-
-  // Returns true if FilePath ends with a path separator, which indicates that
-  // it is intended to represent a directory. Returns false otherwise.
-  // This does NOT check that a directory (or file) actually exists.
-  bool IsDirectory() const;
-
-  // Returns true if pathname describes a root directory. (Windows has one
-  // root directory per disk drive.)
-  bool IsRootDirectory() const;
-
-  // Returns true if pathname describes an absolute path.
-  bool IsAbsolutePath() const;
-
- private:
-  // Replaces multiple consecutive separators with a single separator.
-  // For example, "bar///foo" becomes "bar/foo". Does not eliminate other
-  // redundancies that might be in a pathname involving "." or "..".
-  //
-  // A pathname with multiple consecutive separators may occur either through
-  // user error or as a result of some scripts or APIs that generate a pathname
-  // with a trailing separator. On other platforms the same API or script
-  // may NOT generate a pathname with a trailing "/". Then elsewhere that
-  // pathname may have another "/" and pathname components added to it,
-  // without checking for the separator already being there.
-  // The script language and operating system may allow paths like "foo//bar"
-  // but some of the functions in FilePath will not handle that correctly. In
-  // particular, RemoveTrailingPathSeparator() only removes one separator, and
-  // it is called in CreateDirectoriesRecursively() assuming that it will change
-  // a pathname from directory syntax (trailing separator) to filename syntax.
-  //
-  // On Windows this method also replaces the alternate path separator '/' with
-  // the primary path separator '\\', so that for example "bar\\/\\foo" becomes
-  // "bar\\foo".
-
-  void Normalize();
-
-  // Returns a pointer to the last occurrence of a valid path separator in
-  // the FilePath. On Windows, for example, both '/' and '\' are valid path
-  // separators. Returns NULL if no path separator was found.
-  const char* FindLastPathSeparator() const;
-
-  std::string pathname_;
-};  // class FilePath
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_FILEPATH_H_
-// This file was GENERATED by command:
-//     pump.py gtest-type-util.h.pump
-// DO NOT EDIT BY HAND!!!
-
-// Copyright 2008 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-// Type utilities needed for implementing typed and type-parameterized
-// tests.  This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
-//
-// Currently we support at most 50 types in a list, and at most 50
-// type-parameterized tests in one type-parameterized test case.
-// Please contact googletestframework@googlegroups.com if you need
-// more.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
-
-
-// #ifdef __GNUC__ is too general here.  It is possible to use gcc without using
-// libstdc++ (which is where cxxabi.h comes from).
-# if GTEST_HAS_CXXABI_H_
-#  include <cxxabi.h>
-# elif defined(__HP_aCC)
-#  include <acxx_demangle.h>
-# endif  // GTEST_HASH_CXXABI_H_
-
-namespace testing {
-namespace internal {
-
-// GetTypeName<T>() returns a human-readable name of type T.
-// NB: This function is also used in Google Mock, so don't move it inside of
-// the typed-test-only section below.
-template <typename T>
-std::string GetTypeName() {
-# if GTEST_HAS_RTTI
-
-  const char* const name = typeid(T).name();
-#  if GTEST_HAS_CXXABI_H_ || defined(__HP_aCC)
-  int status = 0;
-  // gcc's implementation of typeid(T).name() mangles the type name,
-  // so we have to demangle it.
-#   if GTEST_HAS_CXXABI_H_
-  using abi::__cxa_demangle;
-#   endif  // GTEST_HAS_CXXABI_H_
-  char* const readable_name = __cxa_demangle(name, 0, 0, &status);
-  const std::string name_str(status == 0 ? readable_name : name);
-  free(readable_name);
-  return name_str;
-#  else
-  return name;
-#  endif  // GTEST_HAS_CXXABI_H_ || __HP_aCC
-
-# else
-
-  return "<type>";
-
-# endif  // GTEST_HAS_RTTI
-}
-
-#if GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
-
-// AssertyTypeEq<T1, T2>::type is defined iff T1 and T2 are the same
-// type.  This can be used as a compile-time assertion to ensure that
-// two types are equal.
-
-template <typename T1, typename T2>
-struct AssertTypeEq;
-
-template <typename T>
-struct AssertTypeEq<T, T> {
-  typedef bool type;
-};
-
-// A unique type used as the default value for the arguments of class
-// template Types.  This allows us to simulate variadic templates
-// (e.g. Types<int>, Type<int, double>, and etc), which C++ doesn't
-// support directly.
-struct None {};
-
-// The following family of struct and struct templates are used to
-// represent type lists.  In particular, TypesN<T1, T2, ..., TN>
-// represents a type list with N types (T1, T2, ..., and TN) in it.
-// Except for Types0, every struct in the family has two member types:
-// Head for the first type in the list, and Tail for the rest of the
-// list.
-
-// The empty type list.
-struct Types0 {};
-
-// Type lists of length 1, 2, 3, and so on.
-
-template <typename T1>
-struct Types1 {
-  typedef T1 Head;
-  typedef Types0 Tail;
-};
-template <typename T1, typename T2>
-struct Types2 {
-  typedef T1 Head;
-  typedef Types1<T2> Tail;
-};
-
-template <typename T1, typename T2, typename T3>
-struct Types3 {
-  typedef T1 Head;
-  typedef Types2<T2, T3> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4>
-struct Types4 {
-  typedef T1 Head;
-  typedef Types3<T2, T3, T4> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-struct Types5 {
-  typedef T1 Head;
-  typedef Types4<T2, T3, T4, T5> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6>
-struct Types6 {
-  typedef T1 Head;
-  typedef Types5<T2, T3, T4, T5, T6> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7>
-struct Types7 {
-  typedef T1 Head;
-  typedef Types6<T2, T3, T4, T5, T6, T7> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8>
-struct Types8 {
-  typedef T1 Head;
-  typedef Types7<T2, T3, T4, T5, T6, T7, T8> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9>
-struct Types9 {
-  typedef T1 Head;
-  typedef Types8<T2, T3, T4, T5, T6, T7, T8, T9> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10>
-struct Types10 {
-  typedef T1 Head;
-  typedef Types9<T2, T3, T4, T5, T6, T7, T8, T9, T10> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11>
-struct Types11 {
-  typedef T1 Head;
-  typedef Types10<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12>
-struct Types12 {
-  typedef T1 Head;
-  typedef Types11<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13>
-struct Types13 {
-  typedef T1 Head;
-  typedef Types12<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14>
-struct Types14 {
-  typedef T1 Head;
-  typedef Types13<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15>
-struct Types15 {
-  typedef T1 Head;
-  typedef Types14<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16>
-struct Types16 {
-  typedef T1 Head;
-  typedef Types15<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17>
-struct Types17 {
-  typedef T1 Head;
-  typedef Types16<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18>
-struct Types18 {
-  typedef T1 Head;
-  typedef Types17<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19>
-struct Types19 {
-  typedef T1 Head;
-  typedef Types18<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20>
-struct Types20 {
-  typedef T1 Head;
-  typedef Types19<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21>
-struct Types21 {
-  typedef T1 Head;
-  typedef Types20<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22>
-struct Types22 {
-  typedef T1 Head;
-  typedef Types21<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23>
-struct Types23 {
-  typedef T1 Head;
-  typedef Types22<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24>
-struct Types24 {
-  typedef T1 Head;
-  typedef Types23<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25>
-struct Types25 {
-  typedef T1 Head;
-  typedef Types24<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26>
-struct Types26 {
-  typedef T1 Head;
-  typedef Types25<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27>
-struct Types27 {
-  typedef T1 Head;
-  typedef Types26<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28>
-struct Types28 {
-  typedef T1 Head;
-  typedef Types27<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29>
-struct Types29 {
-  typedef T1 Head;
-  typedef Types28<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30>
-struct Types30 {
-  typedef T1 Head;
-  typedef Types29<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31>
-struct Types31 {
-  typedef T1 Head;
-  typedef Types30<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32>
-struct Types32 {
-  typedef T1 Head;
-  typedef Types31<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33>
-struct Types33 {
-  typedef T1 Head;
-  typedef Types32<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34>
-struct Types34 {
-  typedef T1 Head;
-  typedef Types33<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35>
-struct Types35 {
-  typedef T1 Head;
-  typedef Types34<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36>
-struct Types36 {
-  typedef T1 Head;
-  typedef Types35<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37>
-struct Types37 {
-  typedef T1 Head;
-  typedef Types36<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38>
-struct Types38 {
-  typedef T1 Head;
-  typedef Types37<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39>
-struct Types39 {
-  typedef T1 Head;
-  typedef Types38<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40>
-struct Types40 {
-  typedef T1 Head;
-  typedef Types39<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41>
-struct Types41 {
-  typedef T1 Head;
-  typedef Types40<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42>
-struct Types42 {
-  typedef T1 Head;
-  typedef Types41<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43>
-struct Types43 {
-  typedef T1 Head;
-  typedef Types42<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44>
-struct Types44 {
-  typedef T1 Head;
-  typedef Types43<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45>
-struct Types45 {
-  typedef T1 Head;
-  typedef Types44<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46>
-struct Types46 {
-  typedef T1 Head;
-  typedef Types45<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45, T46> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47>
-struct Types47 {
-  typedef T1 Head;
-  typedef Types46<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45, T46, T47> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48>
-struct Types48 {
-  typedef T1 Head;
-  typedef Types47<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45, T46, T47, T48> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49>
-struct Types49 {
-  typedef T1 Head;
-  typedef Types48<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45, T46, T47, T48, T49> Tail;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49, typename T50>
-struct Types50 {
-  typedef T1 Head;
-  typedef Types49<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-      T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-      T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-      T44, T45, T46, T47, T48, T49, T50> Tail;
-};
-
-
-}  // namespace internal
-
-// We don't want to require the users to write TypesN<...> directly,
-// as that would require them to count the length.  Types<...> is much
-// easier to write, but generates horrible messages when there is a
-// compiler error, as gcc insists on printing out each template
-// argument, even if it has the default value (this means Types<int>
-// will appear as Types<int, None, None, ..., None> in the compiler
-// errors).
-//
-// Our solution is to combine the best part of the two approaches: a
-// user would write Types<T1, ..., TN>, and Google Test will translate
-// that to TypesN<T1, ..., TN> internally to make error messages
-// readable.  The translation is done by the 'type' member of the
-// Types template.
-template <typename T1 = internal::None, typename T2 = internal::None,
-    typename T3 = internal::None, typename T4 = internal::None,
-    typename T5 = internal::None, typename T6 = internal::None,
-    typename T7 = internal::None, typename T8 = internal::None,
-    typename T9 = internal::None, typename T10 = internal::None,
-    typename T11 = internal::None, typename T12 = internal::None,
-    typename T13 = internal::None, typename T14 = internal::None,
-    typename T15 = internal::None, typename T16 = internal::None,
-    typename T17 = internal::None, typename T18 = internal::None,
-    typename T19 = internal::None, typename T20 = internal::None,
-    typename T21 = internal::None, typename T22 = internal::None,
-    typename T23 = internal::None, typename T24 = internal::None,
-    typename T25 = internal::None, typename T26 = internal::None,
-    typename T27 = internal::None, typename T28 = internal::None,
-    typename T29 = internal::None, typename T30 = internal::None,
-    typename T31 = internal::None, typename T32 = internal::None,
-    typename T33 = internal::None, typename T34 = internal::None,
-    typename T35 = internal::None, typename T36 = internal::None,
-    typename T37 = internal::None, typename T38 = internal::None,
-    typename T39 = internal::None, typename T40 = internal::None,
-    typename T41 = internal::None, typename T42 = internal::None,
-    typename T43 = internal::None, typename T44 = internal::None,
-    typename T45 = internal::None, typename T46 = internal::None,
-    typename T47 = internal::None, typename T48 = internal::None,
-    typename T49 = internal::None, typename T50 = internal::None>
-struct Types {
-  typedef internal::Types50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46, T47, T48, T49, T50> type;
-};
-
-template <>
-struct Types<internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types0 type;
-};
-template <typename T1>
-struct Types<T1, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types1<T1> type;
-};
-template <typename T1, typename T2>
-struct Types<T1, T2, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types2<T1, T2> type;
-};
-template <typename T1, typename T2, typename T3>
-struct Types<T1, T2, T3, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types3<T1, T2, T3> type;
-};
-template <typename T1, typename T2, typename T3, typename T4>
-struct Types<T1, T2, T3, T4, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types4<T1, T2, T3, T4> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-struct Types<T1, T2, T3, T4, T5, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types5<T1, T2, T3, T4, T5> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6>
-struct Types<T1, T2, T3, T4, T5, T6, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types6<T1, T2, T3, T4, T5, T6> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7>
-struct Types<T1, T2, T3, T4, T5, T6, T7, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types7<T1, T2, T3, T4, T5, T6, T7> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types8<T1, T2, T3, T4, T5, T6, T7, T8> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types9<T1, T2, T3, T4, T5, T6, T7, T8, T9> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, internal::None,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None, internal::None> {
-  typedef internal::Types43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None, internal::None> {
-  typedef internal::Types44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
-    internal::None, internal::None, internal::None, internal::None,
-    internal::None> {
-  typedef internal::Types45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
-    T46, internal::None, internal::None, internal::None, internal::None> {
-  typedef internal::Types46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
-    T46, T47, internal::None, internal::None, internal::None> {
-  typedef internal::Types47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46, T47> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
-    T46, T47, T48, internal::None, internal::None> {
-  typedef internal::Types48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46, T47, T48> type;
-};
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49>
-struct Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14, T15,
-    T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29, T30,
-    T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44, T45,
-    T46, T47, T48, T49, internal::None> {
-  typedef internal::Types49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46, T47, T48, T49> type;
-};
-
-namespace internal {
-
-# define GTEST_TEMPLATE_ template <typename T> class
-
-// The template "selector" struct TemplateSel<Tmpl> is used to
-// represent Tmpl, which must be a class template with one type
-// parameter, as a type.  TemplateSel<Tmpl>::Bind<T>::type is defined
-// as the type Tmpl<T>.  This allows us to actually instantiate the
-// template "selected" by TemplateSel<Tmpl>.
-//
-// This trick is necessary for simulating typedef for class templates,
-// which C++ doesn't support directly.
-template <GTEST_TEMPLATE_ Tmpl>
-struct TemplateSel {
-  template <typename T>
-  struct Bind {
-    typedef Tmpl<T> type;
-  };
-};
-
-# define GTEST_BIND_(TmplSel, T) \
-  TmplSel::template Bind<T>::type
-
-// A unique struct template used as the default value for the
-// arguments of class template Templates.  This allows us to simulate
-// variadic templates (e.g. Templates<int>, Templates<int, double>,
-// and etc), which C++ doesn't support directly.
-template <typename T>
-struct NoneT {};
-
-// The following family of struct and struct templates are used to
-// represent template lists.  In particular, TemplatesN<T1, T2, ...,
-// TN> represents a list of N templates (T1, T2, ..., and TN).  Except
-// for Templates0, every struct in the family has two member types:
-// Head for the selector of the first template in the list, and Tail
-// for the rest of the list.
-
-// The empty template list.
-struct Templates0 {};
-
-// Template lists of length 1, 2, 3, and so on.
-
-template <GTEST_TEMPLATE_ T1>
-struct Templates1 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates0 Tail;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2>
-struct Templates2 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates1<T2> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3>
-struct Templates3 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates2<T2, T3> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4>
-struct Templates4 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates3<T2, T3, T4> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5>
-struct Templates5 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates4<T2, T3, T4, T5> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6>
-struct Templates6 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates5<T2, T3, T4, T5, T6> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7>
-struct Templates7 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates6<T2, T3, T4, T5, T6, T7> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8>
-struct Templates8 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates7<T2, T3, T4, T5, T6, T7, T8> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9>
-struct Templates9 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates8<T2, T3, T4, T5, T6, T7, T8, T9> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10>
-struct Templates10 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates9<T2, T3, T4, T5, T6, T7, T8, T9, T10> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11>
-struct Templates11 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates10<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12>
-struct Templates12 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates11<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13>
-struct Templates13 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates12<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14>
-struct Templates14 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates13<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15>
-struct Templates15 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates14<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16>
-struct Templates16 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates15<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17>
-struct Templates17 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates16<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18>
-struct Templates18 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates17<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19>
-struct Templates19 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates18<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20>
-struct Templates20 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates19<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21>
-struct Templates21 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates20<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22>
-struct Templates22 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates21<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23>
-struct Templates23 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates22<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24>
-struct Templates24 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates23<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25>
-struct Templates25 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates24<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26>
-struct Templates26 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates25<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27>
-struct Templates27 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates26<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28>
-struct Templates28 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates27<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29>
-struct Templates29 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates28<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30>
-struct Templates30 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates29<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31>
-struct Templates31 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates30<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32>
-struct Templates32 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates31<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33>
-struct Templates33 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates32<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34>
-struct Templates34 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates33<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35>
-struct Templates35 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates34<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36>
-struct Templates36 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates35<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37>
-struct Templates37 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates36<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38>
-struct Templates38 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates37<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39>
-struct Templates39 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates38<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40>
-struct Templates40 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates39<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41>
-struct Templates41 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates40<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42>
-struct Templates42 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates41<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43>
-struct Templates43 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates42<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44>
-struct Templates44 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates43<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45>
-struct Templates45 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates44<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46>
-struct Templates46 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates45<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45, T46> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47>
-struct Templates47 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates46<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45, T46, T47> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48>
-struct Templates48 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates47<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45, T46, T47, T48> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
-    GTEST_TEMPLATE_ T49>
-struct Templates49 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates48<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45, T46, T47, T48, T49> Tail;
-};
-
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
-    GTEST_TEMPLATE_ T49, GTEST_TEMPLATE_ T50>
-struct Templates50 {
-  typedef TemplateSel<T1> Head;
-  typedef Templates49<T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-      T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-      T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-      T43, T44, T45, T46, T47, T48, T49, T50> Tail;
-};
-
-
-// We don't want to require the users to write TemplatesN<...> directly,
-// as that would require them to count the length.  Templates<...> is much
-// easier to write, but generates horrible messages when there is a
-// compiler error, as gcc insists on printing out each template
-// argument, even if it has the default value (this means Templates<list>
-// will appear as Templates<list, NoneT, NoneT, ..., NoneT> in the compiler
-// errors).
-//
-// Our solution is to combine the best part of the two approaches: a
-// user would write Templates<T1, ..., TN>, and Google Test will translate
-// that to TemplatesN<T1, ..., TN> internally to make error messages
-// readable.  The translation is done by the 'type' member of the
-// Templates template.
-template <GTEST_TEMPLATE_ T1 = NoneT, GTEST_TEMPLATE_ T2 = NoneT,
-    GTEST_TEMPLATE_ T3 = NoneT, GTEST_TEMPLATE_ T4 = NoneT,
-    GTEST_TEMPLATE_ T5 = NoneT, GTEST_TEMPLATE_ T6 = NoneT,
-    GTEST_TEMPLATE_ T7 = NoneT, GTEST_TEMPLATE_ T8 = NoneT,
-    GTEST_TEMPLATE_ T9 = NoneT, GTEST_TEMPLATE_ T10 = NoneT,
-    GTEST_TEMPLATE_ T11 = NoneT, GTEST_TEMPLATE_ T12 = NoneT,
-    GTEST_TEMPLATE_ T13 = NoneT, GTEST_TEMPLATE_ T14 = NoneT,
-    GTEST_TEMPLATE_ T15 = NoneT, GTEST_TEMPLATE_ T16 = NoneT,
-    GTEST_TEMPLATE_ T17 = NoneT, GTEST_TEMPLATE_ T18 = NoneT,
-    GTEST_TEMPLATE_ T19 = NoneT, GTEST_TEMPLATE_ T20 = NoneT,
-    GTEST_TEMPLATE_ T21 = NoneT, GTEST_TEMPLATE_ T22 = NoneT,
-    GTEST_TEMPLATE_ T23 = NoneT, GTEST_TEMPLATE_ T24 = NoneT,
-    GTEST_TEMPLATE_ T25 = NoneT, GTEST_TEMPLATE_ T26 = NoneT,
-    GTEST_TEMPLATE_ T27 = NoneT, GTEST_TEMPLATE_ T28 = NoneT,
-    GTEST_TEMPLATE_ T29 = NoneT, GTEST_TEMPLATE_ T30 = NoneT,
-    GTEST_TEMPLATE_ T31 = NoneT, GTEST_TEMPLATE_ T32 = NoneT,
-    GTEST_TEMPLATE_ T33 = NoneT, GTEST_TEMPLATE_ T34 = NoneT,
-    GTEST_TEMPLATE_ T35 = NoneT, GTEST_TEMPLATE_ T36 = NoneT,
-    GTEST_TEMPLATE_ T37 = NoneT, GTEST_TEMPLATE_ T38 = NoneT,
-    GTEST_TEMPLATE_ T39 = NoneT, GTEST_TEMPLATE_ T40 = NoneT,
-    GTEST_TEMPLATE_ T41 = NoneT, GTEST_TEMPLATE_ T42 = NoneT,
-    GTEST_TEMPLATE_ T43 = NoneT, GTEST_TEMPLATE_ T44 = NoneT,
-    GTEST_TEMPLATE_ T45 = NoneT, GTEST_TEMPLATE_ T46 = NoneT,
-    GTEST_TEMPLATE_ T47 = NoneT, GTEST_TEMPLATE_ T48 = NoneT,
-    GTEST_TEMPLATE_ T49 = NoneT, GTEST_TEMPLATE_ T50 = NoneT>
-struct Templates {
-  typedef Templates50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45, T46, T47, T48, T49, T50> type;
-};
-
-template <>
-struct Templates<NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT> {
-  typedef Templates0 type;
-};
-template <GTEST_TEMPLATE_ T1>
-struct Templates<T1, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT> {
-  typedef Templates1<T1> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2>
-struct Templates<T1, T2, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT> {
-  typedef Templates2<T1, T2> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3>
-struct Templates<T1, T2, T3, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates3<T1, T2, T3> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4>
-struct Templates<T1, T2, T3, T4, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates4<T1, T2, T3, T4> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5>
-struct Templates<T1, T2, T3, T4, T5, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates5<T1, T2, T3, T4, T5> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6>
-struct Templates<T1, T2, T3, T4, T5, T6, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates6<T1, T2, T3, T4, T5, T6> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates7<T1, T2, T3, T4, T5, T6, T7> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates8<T1, T2, T3, T4, T5, T6, T7, T8> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates9<T1, T2, T3, T4, T5, T6, T7, T8, T9> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT> {
-  typedef Templates22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT> {
-  typedef Templates23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT> {
-  typedef Templates24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT> {
-  typedef Templates25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT> {
-  typedef Templates26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT> {
-  typedef Templates27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT> {
-  typedef Templates28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT> {
-  typedef Templates29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, NoneT, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, NoneT, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, NoneT, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, NoneT, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, NoneT,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    NoneT, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    T45, NoneT, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    T45, T46, NoneT, NoneT, NoneT, NoneT> {
-  typedef Templates46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45, T46> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    T45, T46, T47, NoneT, NoneT, NoneT> {
-  typedef Templates47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45, T46, T47> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    T45, T46, T47, T48, NoneT, NoneT> {
-  typedef Templates48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45, T46, T47, T48> type;
-};
-template <GTEST_TEMPLATE_ T1, GTEST_TEMPLATE_ T2, GTEST_TEMPLATE_ T3,
-    GTEST_TEMPLATE_ T4, GTEST_TEMPLATE_ T5, GTEST_TEMPLATE_ T6,
-    GTEST_TEMPLATE_ T7, GTEST_TEMPLATE_ T8, GTEST_TEMPLATE_ T9,
-    GTEST_TEMPLATE_ T10, GTEST_TEMPLATE_ T11, GTEST_TEMPLATE_ T12,
-    GTEST_TEMPLATE_ T13, GTEST_TEMPLATE_ T14, GTEST_TEMPLATE_ T15,
-    GTEST_TEMPLATE_ T16, GTEST_TEMPLATE_ T17, GTEST_TEMPLATE_ T18,
-    GTEST_TEMPLATE_ T19, GTEST_TEMPLATE_ T20, GTEST_TEMPLATE_ T21,
-    GTEST_TEMPLATE_ T22, GTEST_TEMPLATE_ T23, GTEST_TEMPLATE_ T24,
-    GTEST_TEMPLATE_ T25, GTEST_TEMPLATE_ T26, GTEST_TEMPLATE_ T27,
-    GTEST_TEMPLATE_ T28, GTEST_TEMPLATE_ T29, GTEST_TEMPLATE_ T30,
-    GTEST_TEMPLATE_ T31, GTEST_TEMPLATE_ T32, GTEST_TEMPLATE_ T33,
-    GTEST_TEMPLATE_ T34, GTEST_TEMPLATE_ T35, GTEST_TEMPLATE_ T36,
-    GTEST_TEMPLATE_ T37, GTEST_TEMPLATE_ T38, GTEST_TEMPLATE_ T39,
-    GTEST_TEMPLATE_ T40, GTEST_TEMPLATE_ T41, GTEST_TEMPLATE_ T42,
-    GTEST_TEMPLATE_ T43, GTEST_TEMPLATE_ T44, GTEST_TEMPLATE_ T45,
-    GTEST_TEMPLATE_ T46, GTEST_TEMPLATE_ T47, GTEST_TEMPLATE_ T48,
-    GTEST_TEMPLATE_ T49>
-struct Templates<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13, T14,
-    T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28, T29,
-    T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43, T44,
-    T45, T46, T47, T48, T49, NoneT> {
-  typedef Templates49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-      T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-      T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-      T42, T43, T44, T45, T46, T47, T48, T49> type;
-};
-
-// The TypeList template makes it possible to use either a single type
-// or a Types<...> list in TYPED_TEST_CASE() and
-// INSTANTIATE_TYPED_TEST_CASE_P().
-
-template <typename T>
-struct TypeList {
-  typedef Types1<T> type;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49, typename T50>
-struct TypeList<Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46, T47, T48, T49, T50> > {
-  typedef typename Types<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-      T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-      T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-      T41, T42, T43, T44, T45, T46, T47, T48, T49, T50>::type type;
-};
-
-#endif  // GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_TYPE_UTIL_H_
-
-// Due to C++ preprocessor weirdness, we need double indirection to
-// concatenate two tokens when one of them is __LINE__.  Writing
-//
-//   foo ## __LINE__
-//
-// will result in the token foo__LINE__, instead of foo followed by
-// the current line number.  For more details, see
-// http://www.parashift.com/c++-faq-lite/misc-technical-issues.html#faq-39.6
-#define GTEST_CONCAT_TOKEN_(foo, bar) GTEST_CONCAT_TOKEN_IMPL_(foo, bar)
-#define GTEST_CONCAT_TOKEN_IMPL_(foo, bar) foo ## bar
-
-class ProtocolMessage;
-namespace proto2 { class Message; }
-
-namespace testing {
-
-// Forward declarations.
-
-class AssertionResult;                 // Result of an assertion.
-class Message;                         // Represents a failure message.
-class Test;                            // Represents a test.
-class TestInfo;                        // Information about a test.
-class TestPartResult;                  // Result of a test part.
-class UnitTest;                        // A collection of test cases.
-
-template <typename T>
-::std::string PrintToString(const T& value);
-
-namespace internal {
-
-struct TraceInfo;                      // Information about a trace point.
-class ScopedTrace;                     // Implements scoped trace.
-class TestInfoImpl;                    // Opaque implementation of TestInfo
-class UnitTestImpl;                    // Opaque implementation of UnitTest
-
-// How many times InitGoogleTest() has been called.
-GTEST_API_ extern int g_init_gtest_count;
-
-// The text used in failure messages to indicate the start of the
-// stack trace.
-GTEST_API_ extern const char kStackTraceMarker[];
-
-// Two overloaded helpers for checking at compile time whether an
-// expression is a null pointer literal (i.e. NULL or any 0-valued
-// compile-time integral constant).  Their return values have
-// different sizes, so we can use sizeof() to test which version is
-// picked by the compiler.  These helpers have no implementations, as
-// we only need their signatures.
-//
-// Given IsNullLiteralHelper(x), the compiler will pick the first
-// version if x can be implicitly converted to Secret*, and pick the
-// second version otherwise.  Since Secret is a secret and incomplete
-// type, the only expression a user can write that has type Secret* is
-// a null pointer literal.  Therefore, we know that x is a null
-// pointer literal if and only if the first version is picked by the
-// compiler.
-char IsNullLiteralHelper(Secret* p);
-char (&IsNullLiteralHelper(...))[2];  // NOLINT
-
-// A compile-time bool constant that is true if and only if x is a
-// null pointer literal (i.e. NULL or any 0-valued compile-time
-// integral constant).
-#ifdef GTEST_ELLIPSIS_NEEDS_POD_
-// We lose support for NULL detection where the compiler doesn't like
-// passing non-POD classes through ellipsis (...).
-# define GTEST_IS_NULL_LITERAL_(x) false
-#else
-# define GTEST_IS_NULL_LITERAL_(x) \
-    (sizeof(::testing::internal::IsNullLiteralHelper(x)) == 1)
-#endif  // GTEST_ELLIPSIS_NEEDS_POD_
-
-// Appends the user-supplied message to the Google-Test-generated message.
-GTEST_API_ std::string AppendUserMessage(
-    const std::string& gtest_msg, const Message& user_msg);
-
-#if GTEST_HAS_EXCEPTIONS
-
-// This exception is thrown by (and only by) a failed Google Test
-// assertion when GTEST_FLAG(throw_on_failure) is true (if exceptions
-// are enabled).  We derive it from std::runtime_error, which is for
-// errors presumably detectable only at run time.  Since
-// std::runtime_error inherits from std::exception, many testing
-// frameworks know how to extract and print the message inside it.
-class GTEST_API_ GoogleTestFailureException : public ::std::runtime_error {
- public:
-  explicit GoogleTestFailureException(const TestPartResult& failure);
-};
-
-#endif  // GTEST_HAS_EXCEPTIONS
-
-// A helper class for creating scoped traces in user programs.
-class GTEST_API_ ScopedTrace {
- public:
-  // The c'tor pushes the given source file location and message onto
-  // a trace stack maintained by Google Test.
-  ScopedTrace(const char* file, int line, const Message& message);
-
-  // The d'tor pops the info pushed by the c'tor.
-  //
-  // Note that the d'tor is not virtual in order to be efficient.
-  // Don't inherit from ScopedTrace!
-  ~ScopedTrace();
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ScopedTrace);
-} GTEST_ATTRIBUTE_UNUSED_;  // A ScopedTrace object does its job in its
-                            // c'tor and d'tor.  Therefore it doesn't
-                            // need to be used otherwise.
-
-// Constructs and returns the message for an equality assertion
-// (e.g. ASSERT_EQ, EXPECT_STREQ, etc) failure.
-//
-// The first four parameters are the expressions used in the assertion
-// and their values, as strings.  For example, for ASSERT_EQ(foo, bar)
-// where foo is 5 and bar is 6, we have:
-//
-//   expected_expression: "foo"
-//   actual_expression:   "bar"
-//   expected_value:      "5"
-//   actual_value:        "6"
-//
-// The ignoring_case parameter is true iff the assertion is a
-// *_STRCASEEQ*.  When it's true, the string " (ignoring case)" will
-// be inserted into the message.
-GTEST_API_ AssertionResult EqFailure(const char* expected_expression,
-                                     const char* actual_expression,
-                                     const std::string& expected_value,
-                                     const std::string& actual_value,
-                                     bool ignoring_case);
-
-// Constructs a failure message for Boolean assertions such as EXPECT_TRUE.
-GTEST_API_ std::string GetBoolAssertionFailureMessage(
-    const AssertionResult& assertion_result,
-    const char* expression_text,
-    const char* actual_predicate_value,
-    const char* expected_predicate_value);
-
-// This template class represents an IEEE floating-point number
-// (either single-precision or double-precision, depending on the
-// template parameters).
-//
-// The purpose of this class is to do more sophisticated number
-// comparison.  (Due to round-off error, etc, it's very unlikely that
-// two floating-points will be equal exactly.  Hence a naive
-// comparison by the == operation often doesn't work.)
-//
-// Format of IEEE floating-point:
-//
-//   The most-significant bit being the leftmost, an IEEE
-//   floating-point looks like
-//
-//     sign_bit exponent_bits fraction_bits
-//
-//   Here, sign_bit is a single bit that designates the sign of the
-//   number.
-//
-//   For float, there are 8 exponent bits and 23 fraction bits.
-//
-//   For double, there are 11 exponent bits and 52 fraction bits.
-//
-//   More details can be found at
-//   http://en.wikipedia.org/wiki/IEEE_floating-point_standard.
-//
-// Template parameter:
-//
-//   RawType: the raw floating-point type (either float or double)
-template <typename RawType>
-class FloatingPoint {
- public:
-  // Defines the unsigned integer type that has the same size as the
-  // floating point number.
-  typedef typename TypeWithSize<sizeof(RawType)>::UInt Bits;
-
-  // Constants.
-
-  // # of bits in a number.
-  static const size_t kBitCount = 8*sizeof(RawType);
-
-  // # of fraction bits in a number.
-  static const size_t kFractionBitCount =
-    std::numeric_limits<RawType>::digits - 1;
-
-  // # of exponent bits in a number.
-  static const size_t kExponentBitCount = kBitCount - 1 - kFractionBitCount;
-
-  // The mask for the sign bit.
-  static const Bits kSignBitMask = static_cast<Bits>(1) << (kBitCount - 1);
-
-  // The mask for the fraction bits.
-  static const Bits kFractionBitMask =
-    ~static_cast<Bits>(0) >> (kExponentBitCount + 1);
-
-  // The mask for the exponent bits.
-  static const Bits kExponentBitMask = ~(kSignBitMask | kFractionBitMask);
-
-  // How many ULP's (Units in the Last Place) we want to tolerate when
-  // comparing two numbers.  The larger the value, the more error we
-  // allow.  A 0 value means that two numbers must be exactly the same
-  // to be considered equal.
-  //
-  // The maximum error of a single floating-point operation is 0.5
-  // units in the last place.  On Intel CPU's, all floating-point
-  // calculations are done with 80-bit precision, while double has 64
-  // bits.  Therefore, 4 should be enough for ordinary use.
-  //
-  // See the following article for more details on ULP:
-  // http://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
-  static const size_t kMaxUlps = 4;
-
-  // Constructs a FloatingPoint from a raw floating-point number.
-  //
-  // On an Intel CPU, passing a non-normalized NAN (Not a Number)
-  // around may change its bits, although the new value is guaranteed
-  // to be also a NAN.  Therefore, don't expect this constructor to
-  // preserve the bits in x when x is a NAN.
-  explicit FloatingPoint(const RawType& x) { u_.value_ = x; }
-
-  // Static methods
-
-  // Reinterprets a bit pattern as a floating-point number.
-  //
-  // This function is needed to test the AlmostEquals() method.
-  static RawType ReinterpretBits(const Bits bits) {
-    FloatingPoint fp(0);
-    fp.u_.bits_ = bits;
-    return fp.u_.value_;
-  }
-
-  // Returns the floating-point number that represent positive infinity.
-  static RawType Infinity() {
-    return ReinterpretBits(kExponentBitMask);
-  }
-
-  // Returns the maximum representable finite floating-point number.
-  static RawType Max();
-
-  // Non-static methods
-
-  // Returns the bits that represents this number.
-  const Bits &bits() const { return u_.bits_; }
-
-  // Returns the exponent bits of this number.
-  Bits exponent_bits() const { return kExponentBitMask & u_.bits_; }
-
-  // Returns the fraction bits of this number.
-  Bits fraction_bits() const { return kFractionBitMask & u_.bits_; }
-
-  // Returns the sign bit of this number.
-  Bits sign_bit() const { return kSignBitMask & u_.bits_; }
-
-  // Returns true iff this is NAN (not a number).
-  bool is_nan() const {
-    // It's a NAN if the exponent bits are all ones and the fraction
-    // bits are not entirely zeros.
-    return (exponent_bits() == kExponentBitMask) && (fraction_bits() != 0);
-  }
-
-  // Returns true iff this number is at most kMaxUlps ULP's away from
-  // rhs.  In particular, this function:
-  //
-  //   - returns false if either number is (or both are) NAN.
-  //   - treats really large numbers as almost equal to infinity.
-  //   - thinks +0.0 and -0.0 are 0 DLP's apart.
-  bool AlmostEquals(const FloatingPoint& rhs) const {
-    // The IEEE standard says that any comparison operation involving
-    // a NAN must return false.
-    if (is_nan() || rhs.is_nan()) return false;
-
-    return DistanceBetweenSignAndMagnitudeNumbers(u_.bits_, rhs.u_.bits_)
-        <= kMaxUlps;
-  }
-
- private:
-  // The data type used to store the actual floating-point number.
-  union FloatingPointUnion {
-    RawType value_;  // The raw floating-point number.
-    Bits bits_;      // The bits that represent the number.
-  };
-
-  // Converts an integer from the sign-and-magnitude representation to
-  // the biased representation.  More precisely, let N be 2 to the
-  // power of (kBitCount - 1), an integer x is represented by the
-  // unsigned number x + N.
-  //
-  // For instance,
-  //
-  //   -N + 1 (the most negative number representable using
-  //          sign-and-magnitude) is represented by 1;
-  //   0      is represented by N; and
-  //   N - 1  (the biggest number representable using
-  //          sign-and-magnitude) is represented by 2N - 1.
-  //
-  // Read http://en.wikipedia.org/wiki/Signed_number_representations
-  // for more details on signed number representations.
-  static Bits SignAndMagnitudeToBiased(const Bits &sam) {
-    if (kSignBitMask & sam) {
-      // sam represents a negative number.
-      return ~sam + 1;
-    } else {
-      // sam represents a positive number.
-      return kSignBitMask | sam;
-    }
-  }
-
-  // Given two numbers in the sign-and-magnitude representation,
-  // returns the distance between them as an unsigned number.
-  static Bits DistanceBetweenSignAndMagnitudeNumbers(const Bits &sam1,
-                                                     const Bits &sam2) {
-    const Bits biased1 = SignAndMagnitudeToBiased(sam1);
-    const Bits biased2 = SignAndMagnitudeToBiased(sam2);
-    return (biased1 >= biased2) ? (biased1 - biased2) : (biased2 - biased1);
-  }
-
-  FloatingPointUnion u_;
-};
-
-// We cannot use std::numeric_limits<T>::max() as it clashes with the max()
-// macro defined by <windows.h>.
-template <>
-inline float FloatingPoint<float>::Max() { return FLT_MAX; }
-template <>
-inline double FloatingPoint<double>::Max() { return DBL_MAX; }
-
-// Typedefs the instances of the FloatingPoint template class that we
-// care to use.
-typedef FloatingPoint<float> Float;
-typedef FloatingPoint<double> Double;
-
-// In order to catch the mistake of putting tests that use different
-// test fixture classes in the same test case, we need to assign
-// unique IDs to fixture classes and compare them.  The TypeId type is
-// used to hold such IDs.  The user should treat TypeId as an opaque
-// type: the only operation allowed on TypeId values is to compare
-// them for equality using the == operator.
-typedef const void* TypeId;
-
-template <typename T>
-class TypeIdHelper {
- public:
-  // dummy_ must not have a const type.  Otherwise an overly eager
-  // compiler (e.g. MSVC 7.1 & 8.0) may try to merge
-  // TypeIdHelper<T>::dummy_ for different Ts as an "optimization".
-  static bool dummy_;
-};
-
-template <typename T>
-bool TypeIdHelper<T>::dummy_ = false;
-
-// GetTypeId<T>() returns the ID of type T.  Different values will be
-// returned for different types.  Calling the function twice with the
-// same type argument is guaranteed to return the same ID.
-template <typename T>
-TypeId GetTypeId() {
-  // The compiler is required to allocate a different
-  // TypeIdHelper<T>::dummy_ variable for each T used to instantiate
-  // the template.  Therefore, the address of dummy_ is guaranteed to
-  // be unique.
-  return &(TypeIdHelper<T>::dummy_);
-}
-
-// Returns the type ID of ::testing::Test.  Always call this instead
-// of GetTypeId< ::testing::Test>() to get the type ID of
-// ::testing::Test, as the latter may give the wrong result due to a
-// suspected linker bug when compiling Google Test as a Mac OS X
-// framework.
-GTEST_API_ TypeId GetTestTypeId();
-
-// Defines the abstract factory interface that creates instances
-// of a Test object.
-class TestFactoryBase {
- public:
-  virtual ~TestFactoryBase() {}
-
-  // Creates a test instance to run. The instance is both created and destroyed
-  // within TestInfoImpl::Run()
-  virtual Test* CreateTest() = 0;
-
- protected:
-  TestFactoryBase() {}
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestFactoryBase);
-};
-
-// This class provides implementation of TeastFactoryBase interface.
-// It is used in TEST and TEST_F macros.
-template <class TestClass>
-class TestFactoryImpl : public TestFactoryBase {
- public:
-  virtual Test* CreateTest() { return new TestClass; }
-};
-
-#if GTEST_OS_WINDOWS
-
-// Predicate-formatters for implementing the HRESULT checking macros
-// {ASSERT|EXPECT}_HRESULT_{SUCCEEDED|FAILED}
-// We pass a long instead of HRESULT to avoid causing an
-// include dependency for the HRESULT type.
-GTEST_API_ AssertionResult IsHRESULTSuccess(const char* expr,
-                                            long hr);  // NOLINT
-GTEST_API_ AssertionResult IsHRESULTFailure(const char* expr,
-                                            long hr);  // NOLINT
-
-#endif  // GTEST_OS_WINDOWS
-
-// Types of SetUpTestCase() and TearDownTestCase() functions.
-typedef void (*SetUpTestCaseFunc)();
-typedef void (*TearDownTestCaseFunc)();
-
-// Creates a new TestInfo object and registers it with Google Test;
-// returns the created object.
-//
-// Arguments:
-//
-//   test_case_name:   name of the test case
-//   name:             name of the test
-//   type_param        the name of the test's type parameter, or NULL if
-//                     this is not a typed or a type-parameterized test.
-//   value_param       text representation of the test's value parameter,
-//                     or NULL if this is not a type-parameterized test.
-//   fixture_class_id: ID of the test fixture class
-//   set_up_tc:        pointer to the function that sets up the test case
-//   tear_down_tc:     pointer to the function that tears down the test case
-//   factory:          pointer to the factory that creates a test object.
-//                     The newly created TestInfo instance will assume
-//                     ownership of the factory object.
-GTEST_API_ TestInfo* MakeAndRegisterTestInfo(
-    const char* test_case_name,
-    const char* name,
-    const char* type_param,
-    const char* value_param,
-    TypeId fixture_class_id,
-    SetUpTestCaseFunc set_up_tc,
-    TearDownTestCaseFunc tear_down_tc,
-    TestFactoryBase* factory);
-
-// If *pstr starts with the given prefix, modifies *pstr to be right
-// past the prefix and returns true; otherwise leaves *pstr unchanged
-// and returns false.  None of pstr, *pstr, and prefix can be NULL.
-GTEST_API_ bool SkipPrefix(const char* prefix, const char** pstr);
-
-#if GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
-
-// State of the definition of a type-parameterized test case.
-class GTEST_API_ TypedTestCasePState {
- public:
-  TypedTestCasePState() : registered_(false) {}
-
-  // Adds the given test name to defined_test_names_ and return true
-  // if the test case hasn't been registered; otherwise aborts the
-  // program.
-  bool AddTestName(const char* file, int line, const char* case_name,
-                   const char* test_name) {
-    if (registered_) {
-      fprintf(stderr, "%s Test %s must be defined before "
-              "REGISTER_TYPED_TEST_CASE_P(%s, ...).\n",
-              FormatFileLocation(file, line).c_str(), test_name, case_name);
-      fflush(stderr);
-      posix::Abort();
-    }
-    defined_test_names_.insert(test_name);
-    return true;
-  }
-
-  // Verifies that registered_tests match the test names in
-  // defined_test_names_; returns registered_tests if successful, or
-  // aborts the program otherwise.
-  const char* VerifyRegisteredTestNames(
-      const char* file, int line, const char* registered_tests);
-
- private:
-  bool registered_;
-  ::std::set<const char*> defined_test_names_;
-};
-
-// Skips to the first non-space char after the first comma in 'str';
-// returns NULL if no comma is found in 'str'.
-inline const char* SkipComma(const char* str) {
-  const char* comma = strchr(str, ',');
-  if (comma == NULL) {
-    return NULL;
-  }
-  while (IsSpace(*(++comma))) {}
-  return comma;
-}
-
-// Returns the prefix of 'str' before the first comma in it; returns
-// the entire string if it contains no comma.
-inline std::string GetPrefixUntilComma(const char* str) {
-  const char* comma = strchr(str, ',');
-  return comma == NULL ? str : std::string(str, comma);
-}
-
-// TypeParameterizedTest<Fixture, TestSel, Types>::Register()
-// registers a list of type-parameterized tests with Google Test.  The
-// return value is insignificant - we just need to return something
-// such that we can call this function in a namespace scope.
-//
-// Implementation note: The GTEST_TEMPLATE_ macro declares a template
-// template parameter.  It's defined in gtest-type-util.h.
-template <GTEST_TEMPLATE_ Fixture, class TestSel, typename Types>
-class TypeParameterizedTest {
- public:
-  // 'index' is the index of the test in the type list 'Types'
-  // specified in INSTANTIATE_TYPED_TEST_CASE_P(Prefix, TestCase,
-  // Types).  Valid values for 'index' are [0, N - 1] where N is the
-  // length of Types.
-  static bool Register(const char* prefix, const char* case_name,
-                       const char* test_names, int index) {
-    typedef typename Types::Head Type;
-    typedef Fixture<Type> FixtureClass;
-    typedef typename GTEST_BIND_(TestSel, Type) TestClass;
-
-    // First, registers the first type-parameterized test in the type
-    // list.
-    MakeAndRegisterTestInfo(
-        (std::string(prefix) + (prefix[0] == '\0' ? "" : "/") + case_name + "/"
-         + StreamableToString(index)).c_str(),
-        GetPrefixUntilComma(test_names).c_str(),
-        GetTypeName<Type>().c_str(),
-        NULL,  // No value parameter.
-        GetTypeId<FixtureClass>(),
-        TestClass::SetUpTestCase,
-        TestClass::TearDownTestCase,
-        new TestFactoryImpl<TestClass>);
-
-    // Next, recurses (at compile time) with the tail of the type list.
-    return TypeParameterizedTest<Fixture, TestSel, typename Types::Tail>
-        ::Register(prefix, case_name, test_names, index + 1);
-  }
-};
-
-// The base case for the compile time recursion.
-template <GTEST_TEMPLATE_ Fixture, class TestSel>
-class TypeParameterizedTest<Fixture, TestSel, Types0> {
- public:
-  static bool Register(const char* /*prefix*/, const char* /*case_name*/,
-                       const char* /*test_names*/, int /*index*/) {
-    return true;
-  }
-};
-
-// TypeParameterizedTestCase<Fixture, Tests, Types>::Register()
-// registers *all combinations* of 'Tests' and 'Types' with Google
-// Test.  The return value is insignificant - we just need to return
-// something such that we can call this function in a namespace scope.
-template <GTEST_TEMPLATE_ Fixture, typename Tests, typename Types>
-class TypeParameterizedTestCase {
- public:
-  static bool Register(const char* prefix, const char* case_name,
-                       const char* test_names) {
-    typedef typename Tests::Head Head;
-
-    // First, register the first test in 'Test' for each type in 'Types'.
-    TypeParameterizedTest<Fixture, Head, Types>::Register(
-        prefix, case_name, test_names, 0);
-
-    // Next, recurses (at compile time) with the tail of the test list.
-    return TypeParameterizedTestCase<Fixture, typename Tests::Tail, Types>
-        ::Register(prefix, case_name, SkipComma(test_names));
-  }
-};
-
-// The base case for the compile time recursion.
-template <GTEST_TEMPLATE_ Fixture, typename Types>
-class TypeParameterizedTestCase<Fixture, Templates0, Types> {
- public:
-  static bool Register(const char* /*prefix*/, const char* /*case_name*/,
-                       const char* /*test_names*/) {
-    return true;
-  }
-};
-
-#endif  // GTEST_HAS_TYPED_TEST || GTEST_HAS_TYPED_TEST_P
-
-// Returns the current OS stack trace as an std::string.
-//
-// The maximum number of stack frames to be included is specified by
-// the gtest_stack_trace_depth flag.  The skip_count parameter
-// specifies the number of top frames to be skipped, which doesn't
-// count against the number of frames to be included.
-//
-// For example, if Foo() calls Bar(), which in turn calls
-// GetCurrentOsStackTraceExceptTop(..., 1), Foo() will be included in
-// the trace but Bar() and GetCurrentOsStackTraceExceptTop() won't.
-GTEST_API_ std::string GetCurrentOsStackTraceExceptTop(
-    UnitTest* unit_test, int skip_count);
-
-// Helpers for suppressing warnings on unreachable code or constant
-// condition.
-
-// Always returns true.
-GTEST_API_ bool AlwaysTrue();
-
-// Always returns false.
-inline bool AlwaysFalse() { return !AlwaysTrue(); }
-
-// Helper for suppressing false warning from Clang on a const char*
-// variable declared in a conditional expression always being NULL in
-// the else branch.
-struct GTEST_API_ ConstCharPtr {
-  ConstCharPtr(const char* str) : value(str) {}
-  operator bool() const { return true; }
-  const char* value;
-};
-
-// A simple Linear Congruential Generator for generating random
-// numbers with a uniform distribution.  Unlike rand() and srand(), it
-// doesn't use global state (and therefore can't interfere with user
-// code).  Unlike rand_r(), it's portable.  An LCG isn't very random,
-// but it's good enough for our purposes.
-class GTEST_API_ Random {
- public:
-  static const UInt32 kMaxRange = 1u << 31;
-
-  explicit Random(UInt32 seed) : state_(seed) {}
-
-  void Reseed(UInt32 seed) { state_ = seed; }
-
-  // Generates a random number from [0, range).  Crashes if 'range' is
-  // 0 or greater than kMaxRange.
-  UInt32 Generate(UInt32 range);
-
- private:
-  UInt32 state_;
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(Random);
-};
-
-// Defining a variable of type CompileAssertTypesEqual<T1, T2> will cause a
-// compiler error iff T1 and T2 are different types.
-template <typename T1, typename T2>
-struct CompileAssertTypesEqual;
-
-template <typename T>
-struct CompileAssertTypesEqual<T, T> {
-};
-
-// Removes the reference from a type if it is a reference type,
-// otherwise leaves it unchanged.  This is the same as
-// tr1::remove_reference, which is not widely available yet.
-template <typename T>
-struct RemoveReference { typedef T type; };  // NOLINT
-template <typename T>
-struct RemoveReference<T&> { typedef T type; };  // NOLINT
-
-// A handy wrapper around RemoveReference that works when the argument
-// T depends on template parameters.
-#define GTEST_REMOVE_REFERENCE_(T) \
-    typename ::testing::internal::RemoveReference<T>::type
-
-// Removes const from a type if it is a const type, otherwise leaves
-// it unchanged.  This is the same as tr1::remove_const, which is not
-// widely available yet.
-template <typename T>
-struct RemoveConst { typedef T type; };  // NOLINT
-template <typename T>
-struct RemoveConst<const T> { typedef T type; };  // NOLINT
-
-// MSVC 8.0, Sun C++, and IBM XL C++ have a bug which causes the above
-// definition to fail to remove the const in 'const int[3]' and 'const
-// char[3][4]'.  The following specialization works around the bug.
-template <typename T, size_t N>
-struct RemoveConst<const T[N]> {
-  typedef typename RemoveConst<T>::type type[N];
-};
-
-#if defined(_MSC_VER) && _MSC_VER < 1400
-// This is the only specialization that allows VC++ 7.1 to remove const in
-// 'const int[3] and 'const int[3][4]'.  However, it causes trouble with GCC
-// and thus needs to be conditionally compiled.
-template <typename T, size_t N>
-struct RemoveConst<T[N]> {
-  typedef typename RemoveConst<T>::type type[N];
-};
-#endif
-
-// A handy wrapper around RemoveConst that works when the argument
-// T depends on template parameters.
-#define GTEST_REMOVE_CONST_(T) \
-    typename ::testing::internal::RemoveConst<T>::type
-
-// Turns const U&, U&, const U, and U all into U.
-#define GTEST_REMOVE_REFERENCE_AND_CONST_(T) \
-    GTEST_REMOVE_CONST_(GTEST_REMOVE_REFERENCE_(T))
-
-// Adds reference to a type if it is not a reference type,
-// otherwise leaves it unchanged.  This is the same as
-// tr1::add_reference, which is not widely available yet.
-template <typename T>
-struct AddReference { typedef T& type; };  // NOLINT
-template <typename T>
-struct AddReference<T&> { typedef T& type; };  // NOLINT
-
-// A handy wrapper around AddReference that works when the argument T
-// depends on template parameters.
-#define GTEST_ADD_REFERENCE_(T) \
-    typename ::testing::internal::AddReference<T>::type
-
-// Adds a reference to const on top of T as necessary.  For example,
-// it transforms
-//
-//   char         ==> const char&
-//   const char   ==> const char&
-//   char&        ==> const char&
-//   const char&  ==> const char&
-//
-// The argument T must depend on some template parameters.
-#define GTEST_REFERENCE_TO_CONST_(T) \
-    GTEST_ADD_REFERENCE_(const GTEST_REMOVE_REFERENCE_(T))
-
-// ImplicitlyConvertible<From, To>::value is a compile-time bool
-// constant that's true iff type From can be implicitly converted to
-// type To.
-template <typename From, typename To>
-class ImplicitlyConvertible {
- private:
-  // We need the following helper functions only for their types.
-  // They have no implementations.
-
-  // MakeFrom() is an expression whose type is From.  We cannot simply
-  // use From(), as the type From may not have a public default
-  // constructor.
-  static From MakeFrom();
-
-  // These two functions are overloaded.  Given an expression
-  // Helper(x), the compiler will pick the first version if x can be
-  // implicitly converted to type To; otherwise it will pick the
-  // second version.
-  //
-  // The first version returns a value of size 1, and the second
-  // version returns a value of size 2.  Therefore, by checking the
-  // size of Helper(x), which can be done at compile time, we can tell
-  // which version of Helper() is used, and hence whether x can be
-  // implicitly converted to type To.
-  static char Helper(To);
-  static char (&Helper(...))[2];  // NOLINT
-
-  // We have to put the 'public' section after the 'private' section,
-  // or MSVC refuses to compile the code.
- public:
-  // MSVC warns about implicitly converting from double to int for
-  // possible loss of data, so we need to temporarily disable the
-  // warning.
-#ifdef _MSC_VER
-# pragma warning(push)          // Saves the current warning state.
-# pragma warning(disable:4244)  // Temporarily disables warning 4244.
-
-  static const bool value =
-      sizeof(Helper(ImplicitlyConvertible::MakeFrom())) == 1;
-# pragma warning(pop)           // Restores the warning state.
-#elif defined(__BORLANDC__)
-  // C++Builder cannot use member overload resolution during template
-  // instantiation.  The simplest workaround is to use its C++0x type traits
-  // functions (C++Builder 2009 and above only).
-  static const bool value = __is_convertible(From, To);
-#else
-  static const bool value =
-      sizeof(Helper(ImplicitlyConvertible::MakeFrom())) == 1;
-#endif  // _MSV_VER
-};
-template <typename From, typename To>
-const bool ImplicitlyConvertible<From, To>::value;
-
-// IsAProtocolMessage<T>::value is a compile-time bool constant that's
-// true iff T is type ProtocolMessage, proto2::Message, or a subclass
-// of those.
-template <typename T>
-struct IsAProtocolMessage
-    : public bool_constant<
-  ImplicitlyConvertible<const T*, const ::ProtocolMessage*>::value ||
-  ImplicitlyConvertible<const T*, const ::proto2::Message*>::value> {
-};
-
-// When the compiler sees expression IsContainerTest<C>(0), if C is an
-// STL-style container class, the first overload of IsContainerTest
-// will be viable (since both C::iterator* and C::const_iterator* are
-// valid types and NULL can be implicitly converted to them).  It will
-// be picked over the second overload as 'int' is a perfect match for
-// the type of argument 0.  If C::iterator or C::const_iterator is not
-// a valid type, the first overload is not viable, and the second
-// overload will be picked.  Therefore, we can determine whether C is
-// a container class by checking the type of IsContainerTest<C>(0).
-// The value of the expression is insignificant.
-//
-// Note that we look for both C::iterator and C::const_iterator.  The
-// reason is that C++ injects the name of a class as a member of the
-// class itself (e.g. you can refer to class iterator as either
-// 'iterator' or 'iterator::iterator').  If we look for C::iterator
-// only, for example, we would mistakenly think that a class named
-// iterator is an STL container.
-//
-// Also note that the simpler approach of overloading
-// IsContainerTest(typename C::const_iterator*) and
-// IsContainerTest(...) doesn't work with Visual Age C++ and Sun C++.
-typedef int IsContainer;
-template <class C>
-IsContainer IsContainerTest(int /* dummy */,
-                            typename C::iterator* /* it */ = NULL,
-                            typename C::const_iterator* /* const_it */ = NULL) {
-  return 0;
-}
-
-typedef char IsNotContainer;
-template <class C>
-IsNotContainer IsContainerTest(long /* dummy */) { return '\0'; }
-
-// EnableIf<condition>::type is void when 'Cond' is true, and
-// undefined when 'Cond' is false.  To use SFINAE to make a function
-// overload only apply when a particular expression is true, add
-// "typename EnableIf<expression>::type* = 0" as the last parameter.
-template<bool> struct EnableIf;
-template<> struct EnableIf<true> { typedef void type; };  // NOLINT
-
-// Utilities for native arrays.
-
-// ArrayEq() compares two k-dimensional native arrays using the
-// elements' operator==, where k can be any integer >= 0.  When k is
-// 0, ArrayEq() degenerates into comparing a single pair of values.
-
-template <typename T, typename U>
-bool ArrayEq(const T* lhs, size_t size, const U* rhs);
-
-// This generic version is used when k is 0.
-template <typename T, typename U>
-inline bool ArrayEq(const T& lhs, const U& rhs) { return lhs == rhs; }
-
-// This overload is used when k >= 1.
-template <typename T, typename U, size_t N>
-inline bool ArrayEq(const T(&lhs)[N], const U(&rhs)[N]) {
-  return internal::ArrayEq(lhs, N, rhs);
-}
-
-// This helper reduces code bloat.  If we instead put its logic inside
-// the previous ArrayEq() function, arrays with different sizes would
-// lead to different copies of the template code.
-template <typename T, typename U>
-bool ArrayEq(const T* lhs, size_t size, const U* rhs) {
-  for (size_t i = 0; i != size; i++) {
-    if (!internal::ArrayEq(lhs[i], rhs[i]))
-      return false;
-  }
-  return true;
-}
-
-// Finds the first element in the iterator range [begin, end) that
-// equals elem.  Element may be a native array type itself.
-template <typename Iter, typename Element>
-Iter ArrayAwareFind(Iter begin, Iter end, const Element& elem) {
-  for (Iter it = begin; it != end; ++it) {
-    if (internal::ArrayEq(*it, elem))
-      return it;
-  }
-  return end;
-}
-
-// CopyArray() copies a k-dimensional native array using the elements'
-// operator=, where k can be any integer >= 0.  When k is 0,
-// CopyArray() degenerates into copying a single value.
-
-template <typename T, typename U>
-void CopyArray(const T* from, size_t size, U* to);
-
-// This generic version is used when k is 0.
-template <typename T, typename U>
-inline void CopyArray(const T& from, U* to) { *to = from; }
-
-// This overload is used when k >= 1.
-template <typename T, typename U, size_t N>
-inline void CopyArray(const T(&from)[N], U(*to)[N]) {
-  internal::CopyArray(from, N, *to);
-}
-
-// This helper reduces code bloat.  If we instead put its logic inside
-// the previous CopyArray() function, arrays with different sizes
-// would lead to different copies of the template code.
-template <typename T, typename U>
-void CopyArray(const T* from, size_t size, U* to) {
-  for (size_t i = 0; i != size; i++) {
-    internal::CopyArray(from[i], to + i);
-  }
-}
-
-// The relation between an NativeArray object (see below) and the
-// native array it represents.
-enum RelationToSource {
-  kReference,  // The NativeArray references the native array.
-  kCopy        // The NativeArray makes a copy of the native array and
-               // owns the copy.
-};
-
-// Adapts a native array to a read-only STL-style container.  Instead
-// of the complete STL container concept, this adaptor only implements
-// members useful for Google Mock's container matchers.  New members
-// should be added as needed.  To simplify the implementation, we only
-// support Element being a raw type (i.e. having no top-level const or
-// reference modifier).  It's the client's responsibility to satisfy
-// this requirement.  Element can be an array type itself (hence
-// multi-dimensional arrays are supported).
-template <typename Element>
-class NativeArray {
- public:
-  // STL-style container typedefs.
-  typedef Element value_type;
-  typedef Element* iterator;
-  typedef const Element* const_iterator;
-
-  // Constructs from a native array.
-  NativeArray(const Element* array, size_t count, RelationToSource relation) {
-    Init(array, count, relation);
-  }
-
-  // Copy constructor.
-  NativeArray(const NativeArray& rhs) {
-    Init(rhs.array_, rhs.size_, rhs.relation_to_source_);
-  }
-
-  ~NativeArray() {
-    // Ensures that the user doesn't instantiate NativeArray with a
-    // const or reference type.
-    static_cast<void>(StaticAssertTypeEqHelper<Element,
-        GTEST_REMOVE_REFERENCE_AND_CONST_(Element)>());
-    if (relation_to_source_ == kCopy)
-      delete[] array_;
-  }
-
-  // STL-style container methods.
-  size_t size() const { return size_; }
-  const_iterator begin() const { return array_; }
-  const_iterator end() const { return array_ + size_; }
-  bool operator==(const NativeArray& rhs) const {
-    return size() == rhs.size() &&
-        ArrayEq(begin(), size(), rhs.begin());
-  }
-
- private:
-  // Initializes this object; makes a copy of the input array if
-  // 'relation' is kCopy.
-  void Init(const Element* array, size_t a_size, RelationToSource relation) {
-    if (relation == kReference) {
-      array_ = array;
-    } else {
-      Element* const copy = new Element[a_size];
-      CopyArray(array, a_size, copy);
-      array_ = copy;
-    }
-    size_ = a_size;
-    relation_to_source_ = relation;
-  }
-
-  const Element* array_;
-  size_t size_;
-  RelationToSource relation_to_source_;
-
-  GTEST_DISALLOW_ASSIGN_(NativeArray);
-};
-
-}  // namespace internal
-}  // namespace testing
-
-#define GTEST_MESSAGE_AT_(file, line, message, result_type) \
-  ::testing::internal::AssertHelper(result_type, file, line, message) \
-    = ::testing::Message()
-
-#define GTEST_MESSAGE_(message, result_type) \
-  GTEST_MESSAGE_AT_(__FILE__, __LINE__, message, result_type)
-
-#define GTEST_FATAL_FAILURE_(message) \
-  return GTEST_MESSAGE_(message, ::testing::TestPartResult::kFatalFailure)
-
-#define GTEST_NONFATAL_FAILURE_(message) \
-  GTEST_MESSAGE_(message, ::testing::TestPartResult::kNonFatalFailure)
-
-#define GTEST_SUCCESS_(message) \
-  GTEST_MESSAGE_(message, ::testing::TestPartResult::kSuccess)
-
-// Suppresses MSVC warnings 4072 (unreachable code) for the code following
-// statement if it returns or throws (or doesn't return or throw in some
-// situations).
-#define GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement) \
-  if (::testing::internal::AlwaysTrue()) { statement; }
-
-#define GTEST_TEST_THROW_(statement, expected_exception, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::ConstCharPtr gtest_msg = "") { \
-    bool gtest_caught_expected = false; \
-    try { \
-      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-    } \
-    catch (expected_exception const&) { \
-      gtest_caught_expected = true; \
-    } \
-    catch (...) { \
-      gtest_msg.value = \
-          "Expected: " #statement " throws an exception of type " \
-          #expected_exception ".\n  Actual: it throws a different type."; \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__); \
-    } \
-    if (!gtest_caught_expected) { \
-      gtest_msg.value = \
-          "Expected: " #statement " throws an exception of type " \
-          #expected_exception ".\n  Actual: it throws nothing."; \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__); \
-    } \
-  } else \
-    GTEST_CONCAT_TOKEN_(gtest_label_testthrow_, __LINE__): \
-      fail(gtest_msg.value)
-
-#define GTEST_TEST_NO_THROW_(statement, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::AlwaysTrue()) { \
-    try { \
-      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-    } \
-    catch (...) { \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_testnothrow_, __LINE__); \
-    } \
-  } else \
-    GTEST_CONCAT_TOKEN_(gtest_label_testnothrow_, __LINE__): \
-      fail("Expected: " #statement " doesn't throw an exception.\n" \
-           "  Actual: it throws.")
-
-#define GTEST_TEST_ANY_THROW_(statement, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::AlwaysTrue()) { \
-    bool gtest_caught_any = false; \
-    try { \
-      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-    } \
-    catch (...) { \
-      gtest_caught_any = true; \
-    } \
-    if (!gtest_caught_any) { \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_testanythrow_, __LINE__); \
-    } \
-  } else \
-    GTEST_CONCAT_TOKEN_(gtest_label_testanythrow_, __LINE__): \
-      fail("Expected: " #statement " throws an exception.\n" \
-           "  Actual: it doesn't.")
-
-
-// Implements Boolean test assertions such as EXPECT_TRUE. expression can be
-// either a boolean expression or an AssertionResult. text is a textual
-// represenation of expression as it was passed into the EXPECT_TRUE.
-#define GTEST_TEST_BOOLEAN_(expression, text, actual, expected, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (const ::testing::AssertionResult gtest_ar_ = \
-      ::testing::AssertionResult(expression)) \
-    ; \
-  else \
-    fail(::testing::internal::GetBoolAssertionFailureMessage(\
-        gtest_ar_, text, #actual, #expected).c_str())
-
-#define GTEST_TEST_NO_FATAL_FAILURE_(statement, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::AlwaysTrue()) { \
-    ::testing::internal::HasNewFatalFailureHelper gtest_fatal_failure_checker; \
-    GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-    if (gtest_fatal_failure_checker.has_new_fatal_failure()) { \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_testnofatal_, __LINE__); \
-    } \
-  } else \
-    GTEST_CONCAT_TOKEN_(gtest_label_testnofatal_, __LINE__): \
-      fail("Expected: " #statement " doesn't generate new fatal " \
-           "failures in the current thread.\n" \
-           "  Actual: it does.")
-
-// Expands to the name of the class that implements the given test.
-#define GTEST_TEST_CLASS_NAME_(test_case_name, test_name) \
-  test_case_name##_##test_name##_Test
-
-// Helper macro for defining tests.
-#define GTEST_TEST_(test_case_name, test_name, parent_class, parent_id)\
-class GTEST_TEST_CLASS_NAME_(test_case_name, test_name) : public parent_class {\
- public:\
-  GTEST_TEST_CLASS_NAME_(test_case_name, test_name)() {}\
- private:\
-  virtual void TestBody();\
-  static ::testing::TestInfo* const test_info_ GTEST_ATTRIBUTE_UNUSED_;\
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(\
-      GTEST_TEST_CLASS_NAME_(test_case_name, test_name));\
-};\
-\
-::testing::TestInfo* const GTEST_TEST_CLASS_NAME_(test_case_name, test_name)\
-  ::test_info_ =\
-    ::testing::internal::MakeAndRegisterTestInfo(\
-        #test_case_name, #test_name, NULL, NULL, \
-        (parent_id), \
-        parent_class::SetUpTestCase, \
-        parent_class::TearDownTestCase, \
-        new ::testing::internal::TestFactoryImpl<\
-            GTEST_TEST_CLASS_NAME_(test_case_name, test_name)>);\
-void GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::TestBody()
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_INTERNAL_H_
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file defines the public API for death tests.  It is
-// #included by gtest.h so a user doesn't need to include this
-// directly.
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
-#define GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
-
-// Copyright 2005, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: wan@google.com (Zhanyong Wan), eefacm@gmail.com (Sean Mcafee)
-//
-// The Google C++ Testing Framework (Google Test)
-//
-// This header file defines internal utilities needed for implementing
-// death tests.  They are subject to change without notice.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
-
-
-#include <stdio.h>
-
-namespace testing {
-namespace internal {
-
-GTEST_DECLARE_string_(internal_run_death_test);
-
-// Names of the flags (needed for parsing Google Test flags).
-const char kDeathTestStyleFlag[] = "death_test_style";
-const char kDeathTestUseFork[] = "death_test_use_fork";
-const char kInternalRunDeathTestFlag[] = "internal_run_death_test";
-
-#if GTEST_HAS_DEATH_TEST
-
-// DeathTest is a class that hides much of the complexity of the
-// GTEST_DEATH_TEST_ macro.  It is abstract; its static Create method
-// returns a concrete class that depends on the prevailing death test
-// style, as defined by the --gtest_death_test_style and/or
-// --gtest_internal_run_death_test flags.
-
-// In describing the results of death tests, these terms are used with
-// the corresponding definitions:
-//
-// exit status:  The integer exit information in the format specified
-//               by wait(2)
-// exit code:    The integer code passed to exit(3), _exit(2), or
-//               returned from main()
-class GTEST_API_ DeathTest {
- public:
-  // Create returns false if there was an error determining the
-  // appropriate action to take for the current death test; for example,
-  // if the gtest_death_test_style flag is set to an invalid value.
-  // The LastMessage method will return a more detailed message in that
-  // case.  Otherwise, the DeathTest pointer pointed to by the "test"
-  // argument is set.  If the death test should be skipped, the pointer
-  // is set to NULL; otherwise, it is set to the address of a new concrete
-  // DeathTest object that controls the execution of the current test.
-  static bool Create(const char* statement, const RE* regex,
-                     const char* file, int line, DeathTest** test);
-  DeathTest();
-  virtual ~DeathTest() { }
-
-  // A helper class that aborts a death test when it's deleted.
-  class ReturnSentinel {
-   public:
-    explicit ReturnSentinel(DeathTest* test) : test_(test) { }
-    ~ReturnSentinel() { test_->Abort(TEST_ENCOUNTERED_RETURN_STATEMENT); }
-   private:
-    DeathTest* const test_;
-    GTEST_DISALLOW_COPY_AND_ASSIGN_(ReturnSentinel);
-  } GTEST_ATTRIBUTE_UNUSED_;
-
-  // An enumeration of possible roles that may be taken when a death
-  // test is encountered.  EXECUTE means that the death test logic should
-  // be executed immediately.  OVERSEE means that the program should prepare
-  // the appropriate environment for a child process to execute the death
-  // test, then wait for it to complete.
-  enum TestRole { OVERSEE_TEST, EXECUTE_TEST };
-
-  // An enumeration of the three reasons that a test might be aborted.
-  enum AbortReason {
-    TEST_ENCOUNTERED_RETURN_STATEMENT,
-    TEST_THREW_EXCEPTION,
-    TEST_DID_NOT_DIE
-  };
-
-  // Assumes one of the above roles.
-  virtual TestRole AssumeRole() = 0;
-
-  // Waits for the death test to finish and returns its status.
-  virtual int Wait() = 0;
-
-  // Returns true if the death test passed; that is, the test process
-  // exited during the test, its exit status matches a user-supplied
-  // predicate, and its stderr output matches a user-supplied regular
-  // expression.
-  // The user-supplied predicate may be a macro expression rather
-  // than a function pointer or functor, or else Wait and Passed could
-  // be combined.
-  virtual bool Passed(bool exit_status_ok) = 0;
-
-  // Signals that the death test did not die as expected.
-  virtual void Abort(AbortReason reason) = 0;
-
-  // Returns a human-readable outcome message regarding the outcome of
-  // the last death test.
-  static const char* LastMessage();
-
-  static void set_last_death_test_message(const std::string& message);
-
- private:
-  // A string containing a description of the outcome of the last death test.
-  static std::string last_death_test_message_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(DeathTest);
-};
-
-// Factory interface for death tests.  May be mocked out for testing.
-class DeathTestFactory {
- public:
-  virtual ~DeathTestFactory() { }
-  virtual bool Create(const char* statement, const RE* regex,
-                      const char* file, int line, DeathTest** test) = 0;
-};
-
-// A concrete DeathTestFactory implementation for normal use.
-class DefaultDeathTestFactory : public DeathTestFactory {
- public:
-  virtual bool Create(const char* statement, const RE* regex,
-                      const char* file, int line, DeathTest** test);
-};
-
-// Returns true if exit_status describes a process that was terminated
-// by a signal, or exited normally with a nonzero exit code.
-GTEST_API_ bool ExitedUnsuccessfully(int exit_status);
-
-// Traps C++ exceptions escaping statement and reports them as test
-// failures. Note that trapping SEH exceptions is not implemented here.
-# if GTEST_HAS_EXCEPTIONS
-#  define GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, death_test) \
-  try { \
-    GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-  } catch (const ::std::exception& gtest_exception) { \
-    fprintf(\
-        stderr, \
-        "\n%s: Caught std::exception-derived exception escaping the " \
-        "death test statement. Exception message: %s\n", \
-        ::testing::internal::FormatFileLocation(__FILE__, __LINE__).c_str(), \
-        gtest_exception.what()); \
-    fflush(stderr); \
-    death_test->Abort(::testing::internal::DeathTest::TEST_THREW_EXCEPTION); \
-  } catch (...) { \
-    death_test->Abort(::testing::internal::DeathTest::TEST_THREW_EXCEPTION); \
-  }
-
-# else
-#  define GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, death_test) \
-  GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement)
-
-# endif
-
-// This macro is for implementing ASSERT_DEATH*, EXPECT_DEATH*,
-// ASSERT_EXIT*, and EXPECT_EXIT*.
-# define GTEST_DEATH_TEST_(statement, predicate, regex, fail) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::AlwaysTrue()) { \
-    const ::testing::internal::RE& gtest_regex = (regex); \
-    ::testing::internal::DeathTest* gtest_dt; \
-    if (!::testing::internal::DeathTest::Create(#statement, &gtest_regex, \
-        __FILE__, __LINE__, &gtest_dt)) { \
-      goto GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__); \
-    } \
-    if (gtest_dt != NULL) { \
-      ::testing::internal::scoped_ptr< ::testing::internal::DeathTest> \
-          gtest_dt_ptr(gtest_dt); \
-      switch (gtest_dt->AssumeRole()) { \
-        case ::testing::internal::DeathTest::OVERSEE_TEST: \
-          if (!gtest_dt->Passed(predicate(gtest_dt->Wait()))) { \
-            goto GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__); \
-          } \
-          break; \
-        case ::testing::internal::DeathTest::EXECUTE_TEST: { \
-          ::testing::internal::DeathTest::ReturnSentinel \
-              gtest_sentinel(gtest_dt); \
-          GTEST_EXECUTE_DEATH_TEST_STATEMENT_(statement, gtest_dt); \
-          gtest_dt->Abort(::testing::internal::DeathTest::TEST_DID_NOT_DIE); \
-          break; \
-        } \
-        default: \
-          break; \
-      } \
-    } \
-  } else \
-    GTEST_CONCAT_TOKEN_(gtest_label_, __LINE__): \
-      fail(::testing::internal::DeathTest::LastMessage())
-// The symbol "fail" here expands to something into which a message
-// can be streamed.
-
-// This macro is for implementing ASSERT/EXPECT_DEBUG_DEATH when compiled in
-// NDEBUG mode. In this case we need the statements to be executed, the regex is
-// ignored, and the macro must accept a streamed message even though the message
-// is never printed.
-# define GTEST_EXECUTE_STATEMENT_(statement, regex) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (::testing::internal::AlwaysTrue()) { \
-     GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-  } else \
-    ::testing::Message()
-
-// A class representing the parsed contents of the
-// --gtest_internal_run_death_test flag, as it existed when
-// RUN_ALL_TESTS was called.
-class InternalRunDeathTestFlag {
- public:
-  InternalRunDeathTestFlag(const std::string& a_file,
-                           int a_line,
-                           int an_index,
-                           int a_write_fd)
-      : file_(a_file), line_(a_line), index_(an_index),
-        write_fd_(a_write_fd) {}
-
-  ~InternalRunDeathTestFlag() {
-    if (write_fd_ >= 0)
-      posix::Close(write_fd_);
-  }
-
-  const std::string& file() const { return file_; }
-  int line() const { return line_; }
-  int index() const { return index_; }
-  int write_fd() const { return write_fd_; }
-
- private:
-  std::string file_;
-  int line_;
-  int index_;
-  int write_fd_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(InternalRunDeathTestFlag);
-};
-
-// Returns a newly created InternalRunDeathTestFlag object with fields
-// initialized from the GTEST_FLAG(internal_run_death_test) flag if
-// the flag is specified; otherwise returns NULL.
-InternalRunDeathTestFlag* ParseInternalRunDeathTestFlag();
-
-#else  // GTEST_HAS_DEATH_TEST
-
-// This macro is used for implementing macros such as
-// EXPECT_DEATH_IF_SUPPORTED and ASSERT_DEATH_IF_SUPPORTED on systems where
-// death tests are not supported. Those macros must compile on such systems
-// iff EXPECT_DEATH and ASSERT_DEATH compile with the same parameters on
-// systems that support death tests. This allows one to write such a macro
-// on a system that does not support death tests and be sure that it will
-// compile on a death-test supporting system.
-//
-// Parameters:
-//   statement -  A statement that a macro such as EXPECT_DEATH would test
-//                for program termination. This macro has to make sure this
-//                statement is compiled but not executed, to ensure that
-//                EXPECT_DEATH_IF_SUPPORTED compiles with a certain
-//                parameter iff EXPECT_DEATH compiles with it.
-//   regex     -  A regex that a macro such as EXPECT_DEATH would use to test
-//                the output of statement.  This parameter has to be
-//                compiled but not evaluated by this macro, to ensure that
-//                this macro only accepts expressions that a macro such as
-//                EXPECT_DEATH would accept.
-//   terminator - Must be an empty statement for EXPECT_DEATH_IF_SUPPORTED
-//                and a return statement for ASSERT_DEATH_IF_SUPPORTED.
-//                This ensures that ASSERT_DEATH_IF_SUPPORTED will not
-//                compile inside functions where ASSERT_DEATH doesn't
-//                compile.
-//
-//  The branch that has an always false condition is used to ensure that
-//  statement and regex are compiled (and thus syntactically correct) but
-//  never executed. The unreachable code macro protects the terminator
-//  statement from generating an 'unreachable code' warning in case
-//  statement unconditionally returns or throws. The Message constructor at
-//  the end allows the syntax of streaming additional messages into the
-//  macro, for compilational compatibility with EXPECT_DEATH/ASSERT_DEATH.
-# define GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, terminator) \
-    GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-    if (::testing::internal::AlwaysTrue()) { \
-      GTEST_LOG_(WARNING) \
-          << "Death tests are not supported on this platform.\n" \
-          << "Statement '" #statement "' cannot be verified."; \
-    } else if (::testing::internal::AlwaysFalse()) { \
-      ::testing::internal::RE::PartialMatch(".*", (regex)); \
-      GTEST_SUPPRESS_UNREACHABLE_CODE_WARNING_BELOW_(statement); \
-      terminator; \
-    } else \
-      ::testing::Message()
-
-#endif  // GTEST_HAS_DEATH_TEST
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_DEATH_TEST_INTERNAL_H_
-
-namespace testing {
-
-// This flag controls the style of death tests.  Valid values are "threadsafe",
-// meaning that the death test child process will re-execute the test binary
-// from the start, running only a single death test, or "fast",
-// meaning that the child process will execute the test logic immediately
-// after forking.
-GTEST_DECLARE_string_(death_test_style);
-
-#if GTEST_HAS_DEATH_TEST
-
-namespace internal {
-
-// Returns a Boolean value indicating whether the caller is currently
-// executing in the context of the death test child process.  Tools such as
-// Valgrind heap checkers may need this to modify their behavior in death
-// tests.  IMPORTANT: This is an internal utility.  Using it may break the
-// implementation of death tests.  User code MUST NOT use it.
-GTEST_API_ bool InDeathTestChild();
-
-}  // namespace internal
-
-// The following macros are useful for writing death tests.
-
-// Here's what happens when an ASSERT_DEATH* or EXPECT_DEATH* is
-// executed:
-//
-//   1. It generates a warning if there is more than one active
-//   thread.  This is because it's safe to fork() or clone() only
-//   when there is a single thread.
-//
-//   2. The parent process clone()s a sub-process and runs the death
-//   test in it; the sub-process exits with code 0 at the end of the
-//   death test, if it hasn't exited already.
-//
-//   3. The parent process waits for the sub-process to terminate.
-//
-//   4. The parent process checks the exit code and error message of
-//   the sub-process.
-//
-// Examples:
-//
-//   ASSERT_DEATH(server.SendMessage(56, "Hello"), "Invalid port number");
-//   for (int i = 0; i < 5; i++) {
-//     EXPECT_DEATH(server.ProcessRequest(i),
-//                  "Invalid request .* in ProcessRequest()")
-//                  << "Failed to die on request " << i;
-//   }
-//
-//   ASSERT_EXIT(server.ExitNow(), ::testing::ExitedWithCode(0), "Exiting");
-//
-//   bool KilledBySIGHUP(int exit_code) {
-//     return WIFSIGNALED(exit_code) && WTERMSIG(exit_code) == SIGHUP;
-//   }
-//
-//   ASSERT_EXIT(client.HangUpServer(), KilledBySIGHUP, "Hanging up!");
-//
-// On the regular expressions used in death tests:
-//
-//   On POSIX-compliant systems (*nix), we use the <regex.h> library,
-//   which uses the POSIX extended regex syntax.
-//
-//   On other platforms (e.g. Windows), we only support a simple regex
-//   syntax implemented as part of Google Test.  This limited
-//   implementation should be enough most of the time when writing
-//   death tests; though it lacks many features you can find in PCRE
-//   or POSIX extended regex syntax.  For example, we don't support
-//   union ("x|y"), grouping ("(xy)"), brackets ("[xy]"), and
-//   repetition count ("x{5,7}"), among others.
-//
-//   Below is the syntax that we do support.  We chose it to be a
-//   subset of both PCRE and POSIX extended regex, so it's easy to
-//   learn wherever you come from.  In the following: 'A' denotes a
-//   literal character, period (.), or a single \\ escape sequence;
-//   'x' and 'y' denote regular expressions; 'm' and 'n' are for
-//   natural numbers.
-//
-//     c     matches any literal character c
-//     \\d   matches any decimal digit
-//     \\D   matches any character that's not a decimal digit
-//     \\f   matches \f
-//     \\n   matches \n
-//     \\r   matches \r
-//     \\s   matches any ASCII whitespace, including \n
-//     \\S   matches any character that's not a whitespace
-//     \\t   matches \t
-//     \\v   matches \v
-//     \\w   matches any letter, _, or decimal digit
-//     \\W   matches any character that \\w doesn't match
-//     \\c   matches any literal character c, which must be a punctuation
-//     .     matches any single character except \n
-//     A?    matches 0 or 1 occurrences of A
-//     A*    matches 0 or many occurrences of A
-//     A+    matches 1 or many occurrences of A
-//     ^     matches the beginning of a string (not that of each line)
-//     $     matches the end of a string (not that of each line)
-//     xy    matches x followed by y
-//
-//   If you accidentally use PCRE or POSIX extended regex features
-//   not implemented by us, you will get a run-time failure.  In that
-//   case, please try to rewrite your regular expression within the
-//   above syntax.
-//
-//   This implementation is *not* meant to be as highly tuned or robust
-//   as a compiled regex library, but should perform well enough for a
-//   death test, which already incurs significant overhead by launching
-//   a child process.
-//
-// Known caveats:
-//
-//   A "threadsafe" style death test obtains the path to the test
-//   program from argv[0] and re-executes it in the sub-process.  For
-//   simplicity, the current implementation doesn't search the PATH
-//   when launching the sub-process.  This means that the user must
-//   invoke the test program via a path that contains at least one
-//   path separator (e.g. path/to/foo_test and
-//   /absolute/path/to/bar_test are fine, but foo_test is not).  This
-//   is rarely a problem as people usually don't put the test binary
-//   directory in PATH.
-//
-// TODO(wan@google.com): make thread-safe death tests search the PATH.
-
-// Asserts that a given statement causes the program to exit, with an
-// integer exit status that satisfies predicate, and emitting error output
-// that matches regex.
-# define ASSERT_EXIT(statement, predicate, regex) \
-    GTEST_DEATH_TEST_(statement, predicate, regex, GTEST_FATAL_FAILURE_)
-
-// Like ASSERT_EXIT, but continues on to successive tests in the
-// test case, if any:
-# define EXPECT_EXIT(statement, predicate, regex) \
-    GTEST_DEATH_TEST_(statement, predicate, regex, GTEST_NONFATAL_FAILURE_)
-
-// Asserts that a given statement causes the program to exit, either by
-// explicitly exiting with a nonzero exit code or being killed by a
-// signal, and emitting error output that matches regex.
-# define ASSERT_DEATH(statement, regex) \
-    ASSERT_EXIT(statement, ::testing::internal::ExitedUnsuccessfully, regex)
-
-// Like ASSERT_DEATH, but continues on to successive tests in the
-// test case, if any:
-# define EXPECT_DEATH(statement, regex) \
-    EXPECT_EXIT(statement, ::testing::internal::ExitedUnsuccessfully, regex)
-
-// Two predicate classes that can be used in {ASSERT,EXPECT}_EXIT*:
-
-// Tests that an exit code describes a normal exit with a given exit code.
-class GTEST_API_ ExitedWithCode {
- public:
-  explicit ExitedWithCode(int exit_code);
-  bool operator()(int exit_status) const;
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ExitedWithCode& other);
-
-  const int exit_code_;
-};
-
-# if !GTEST_OS_WINDOWS
-// Tests that an exit code describes an exit due to termination by a
-// given signal.
-class GTEST_API_ KilledBySignal {
- public:
-  explicit KilledBySignal(int signum);
-  bool operator()(int exit_status) const;
- private:
-  const int signum_;
-};
-# endif  // !GTEST_OS_WINDOWS
-
-// EXPECT_DEBUG_DEATH asserts that the given statements die in debug mode.
-// The death testing framework causes this to have interesting semantics,
-// since the sideeffects of the call are only visible in opt mode, and not
-// in debug mode.
-//
-// In practice, this can be used to test functions that utilize the
-// LOG(DFATAL) macro using the following style:
-//
-// int DieInDebugOr12(int* sideeffect) {
-//   if (sideeffect) {
-//     *sideeffect = 12;
-//   }
-//   LOG(DFATAL) << "death";
-//   return 12;
-// }
-//
-// TEST(TestCase, TestDieOr12WorksInDgbAndOpt) {
-//   int sideeffect = 0;
-//   // Only asserts in dbg.
-//   EXPECT_DEBUG_DEATH(DieInDebugOr12(&sideeffect), "death");
-//
-// #ifdef NDEBUG
-//   // opt-mode has sideeffect visible.
-//   EXPECT_EQ(12, sideeffect);
-// #else
-//   // dbg-mode no visible sideeffect.
-//   EXPECT_EQ(0, sideeffect);
-// #endif
-// }
-//
-// This will assert that DieInDebugReturn12InOpt() crashes in debug
-// mode, usually due to a DCHECK or LOG(DFATAL), but returns the
-// appropriate fallback value (12 in this case) in opt mode. If you
-// need to test that a function has appropriate side-effects in opt
-// mode, include assertions against the side-effects.  A general
-// pattern for this is:
-//
-// EXPECT_DEBUG_DEATH({
-//   // Side-effects here will have an effect after this statement in
-//   // opt mode, but none in debug mode.
-//   EXPECT_EQ(12, DieInDebugOr12(&sideeffect));
-// }, "death");
-//
-# ifdef NDEBUG
-
-#  define EXPECT_DEBUG_DEATH(statement, regex) \
-  GTEST_EXECUTE_STATEMENT_(statement, regex)
-
-#  define ASSERT_DEBUG_DEATH(statement, regex) \
-  GTEST_EXECUTE_STATEMENT_(statement, regex)
-
-# else
-
-#  define EXPECT_DEBUG_DEATH(statement, regex) \
-  EXPECT_DEATH(statement, regex)
-
-#  define ASSERT_DEBUG_DEATH(statement, regex) \
-  ASSERT_DEATH(statement, regex)
-
-# endif  // NDEBUG for EXPECT_DEBUG_DEATH
-#endif  // GTEST_HAS_DEATH_TEST
-
-// EXPECT_DEATH_IF_SUPPORTED(statement, regex) and
-// ASSERT_DEATH_IF_SUPPORTED(statement, regex) expand to real death tests if
-// death tests are supported; otherwise they just issue a warning.  This is
-// useful when you are combining death test assertions with normal test
-// assertions in one test.
-#if GTEST_HAS_DEATH_TEST
-# define EXPECT_DEATH_IF_SUPPORTED(statement, regex) \
-    EXPECT_DEATH(statement, regex)
-# define ASSERT_DEATH_IF_SUPPORTED(statement, regex) \
-    ASSERT_DEATH(statement, regex)
-#else
-# define EXPECT_DEATH_IF_SUPPORTED(statement, regex) \
-    GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, )
-# define ASSERT_DEATH_IF_SUPPORTED(statement, regex) \
-    GTEST_UNSUPPORTED_DEATH_TEST_(statement, regex, return)
-#endif
-
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_DEATH_TEST_H_
-// This file was GENERATED by command:
-//     pump.py gtest-param-test.h.pump
-// DO NOT EDIT BY HAND!!!
-
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: vladl@google.com (Vlad Losev)
-//
-// Macros and functions for implementing parameterized tests
-// in Google C++ Testing Framework (Google Test)
-//
-// This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
-//
-#ifndef GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
-#define GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
-
-
-// Value-parameterized tests allow you to test your code with different
-// parameters without writing multiple copies of the same test.
-//
-// Here is how you use value-parameterized tests:
-
-#if 0
-
-// To write value-parameterized tests, first you should define a fixture
-// class. It is usually derived from testing::TestWithParam<T> (see below for
-// another inheritance scheme that's sometimes useful in more complicated
-// class hierarchies), where the type of your parameter values.
-// TestWithParam<T> is itself derived from testing::Test. T can be any
-// copyable type. If it's a raw pointer, you are responsible for managing the
-// lifespan of the pointed values.
-
-class FooTest : public ::testing::TestWithParam<const char*> {
-  // You can implement all the usual class fixture members here.
-};
-
-// Then, use the TEST_P macro to define as many parameterized tests
-// for this fixture as you want. The _P suffix is for "parameterized"
-// or "pattern", whichever you prefer to think.
-
-TEST_P(FooTest, DoesBlah) {
-  // Inside a test, access the test parameter with the GetParam() method
-  // of the TestWithParam<T> class:
-  EXPECT_TRUE(foo.Blah(GetParam()));
-  ...
-}
-
-TEST_P(FooTest, HasBlahBlah) {
-  ...
-}
-
-// Finally, you can use INSTANTIATE_TEST_CASE_P to instantiate the test
-// case with any set of parameters you want. Google Test defines a number
-// of functions for generating test parameters. They return what we call
-// (surprise!) parameter generators. Here is a  summary of them, which
-// are all in the testing namespace:
-//
-//
-//  Range(begin, end [, step]) - Yields values {begin, begin+step,
-//                               begin+step+step, ...}. The values do not
-//                               include end. step defaults to 1.
-//  Values(v1, v2, ..., vN)    - Yields values {v1, v2, ..., vN}.
-//  ValuesIn(container)        - Yields values from a C-style array, an STL
-//  ValuesIn(begin,end)          container, or an iterator range [begin, end).
-//  Bool()                     - Yields sequence {false, true}.
-//  Combine(g1, g2, ..., gN)   - Yields all combinations (the Cartesian product
-//                               for the math savvy) of the values generated
-//                               by the N generators.
-//
-// For more details, see comments at the definitions of these functions below
-// in this file.
-//
-// The following statement will instantiate tests from the FooTest test case
-// each with parameter values "meeny", "miny", and "moe".
-
-INSTANTIATE_TEST_CASE_P(InstantiationName,
-                        FooTest,
-                        Values("meeny", "miny", "moe"));
-
-// To distinguish different instances of the pattern, (yes, you
-// can instantiate it more then once) the first argument to the
-// INSTANTIATE_TEST_CASE_P macro is a prefix that will be added to the
-// actual test case name. Remember to pick unique prefixes for different
-// instantiations. The tests from the instantiation above will have
-// these names:
-//
-//    * InstantiationName/FooTest.DoesBlah/0 for "meeny"
-//    * InstantiationName/FooTest.DoesBlah/1 for "miny"
-//    * InstantiationName/FooTest.DoesBlah/2 for "moe"
-//    * InstantiationName/FooTest.HasBlahBlah/0 for "meeny"
-//    * InstantiationName/FooTest.HasBlahBlah/1 for "miny"
-//    * InstantiationName/FooTest.HasBlahBlah/2 for "moe"
-//
-// You can use these names in --gtest_filter.
-//
-// This statement will instantiate all tests from FooTest again, each
-// with parameter values "cat" and "dog":
-
-const char* pets[] = {"cat", "dog"};
-INSTANTIATE_TEST_CASE_P(AnotherInstantiationName, FooTest, ValuesIn(pets));
-
-// The tests from the instantiation above will have these names:
-//
-//    * AnotherInstantiationName/FooTest.DoesBlah/0 for "cat"
-//    * AnotherInstantiationName/FooTest.DoesBlah/1 for "dog"
-//    * AnotherInstantiationName/FooTest.HasBlahBlah/0 for "cat"
-//    * AnotherInstantiationName/FooTest.HasBlahBlah/1 for "dog"
-//
-// Please note that INSTANTIATE_TEST_CASE_P will instantiate all tests
-// in the given test case, whether their definitions come before or
-// AFTER the INSTANTIATE_TEST_CASE_P statement.
-//
-// Please also note that generator expressions (including parameters to the
-// generators) are evaluated in InitGoogleTest(), after main() has started.
-// This allows the user on one hand, to adjust generator parameters in order
-// to dynamically determine a set of tests to run and on the other hand,
-// give the user a chance to inspect the generated tests with Google Test
-// reflection API before RUN_ALL_TESTS() is executed.
-//
-// You can see samples/sample7_unittest.cc and samples/sample8_unittest.cc
-// for more examples.
-//
-// In the future, we plan to publish the API for defining new parameter
-// generators. But for now this interface remains part of the internal
-// implementation and is subject to change.
-//
-//
-// A parameterized test fixture must be derived from testing::Test and from
-// testing::WithParamInterface<T>, where T is the type of the parameter
-// values. Inheriting from TestWithParam<T> satisfies that requirement because
-// TestWithParam<T> inherits from both Test and WithParamInterface. In more
-// complicated hierarchies, however, it is occasionally useful to inherit
-// separately from Test and WithParamInterface. For example:
-
-class BaseTest : public ::testing::Test {
-  // You can inherit all the usual members for a non-parameterized test
-  // fixture here.
-};
-
-class DerivedTest : public BaseTest, public ::testing::WithParamInterface<int> {
-  // The usual test fixture members go here too.
-};
-
-TEST_F(BaseTest, HasFoo) {
-  // This is an ordinary non-parameterized test.
-}
-
-TEST_P(DerivedTest, DoesBlah) {
-  // GetParam works just the same here as if you inherit from TestWithParam.
-  EXPECT_TRUE(foo.Blah(GetParam()));
-}
-
-#endif  // 0
-
-
-#if !GTEST_OS_SYMBIAN
-# include <utility>
-#endif
-
-// scripts/fuse_gtest.py depends on gtest's own header being #included
-// *unconditionally*.  Therefore these #includes cannot be moved
-// inside #if GTEST_HAS_PARAM_TEST.
-// Copyright 2008 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: vladl@google.com (Vlad Losev)
-
-// Type and function utilities for implementing parameterized tests.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
-
-#include <iterator>
-#include <utility>
-#include <vector>
-
-// scripts/fuse_gtest.py depends on gtest's own header being #included
-// *unconditionally*.  Therefore these #includes cannot be moved
-// inside #if GTEST_HAS_PARAM_TEST.
-// Copyright 2003 Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Authors: Dan Egnor (egnor@google.com)
-//
-// A "smart" pointer type with reference tracking.  Every pointer to a
-// particular object is kept on a circular linked list.  When the last pointer
-// to an object is destroyed or reassigned, the object is deleted.
-//
-// Used properly, this deletes the object when the last reference goes away.
-// There are several caveats:
-// - Like all reference counting schemes, cycles lead to leaks.
-// - Each smart pointer is actually two pointers (8 bytes instead of 4).
-// - Every time a pointer is assigned, the entire list of pointers to that
-//   object is traversed.  This class is therefore NOT SUITABLE when there
-//   will often be more than two or three pointers to a particular object.
-// - References are only tracked as long as linked_ptr<> objects are copied.
-//   If a linked_ptr<> is converted to a raw pointer and back, BAD THINGS
-//   will happen (double deletion).
-//
-// A good use of this class is storing object references in STL containers.
-// You can safely put linked_ptr<> in a vector<>.
-// Other uses may not be as good.
-//
-// Note: If you use an incomplete type with linked_ptr<>, the class
-// *containing* linked_ptr<> must have a constructor and destructor (even
-// if they do nothing!).
-//
-// Bill Gibbons suggested we use something like this.
-//
-// Thread Safety:
-//   Unlike other linked_ptr implementations, in this implementation
-//   a linked_ptr object is thread-safe in the sense that:
-//     - it's safe to copy linked_ptr objects concurrently,
-//     - it's safe to copy *from* a linked_ptr and read its underlying
-//       raw pointer (e.g. via get()) concurrently, and
-//     - it's safe to write to two linked_ptrs that point to the same
-//       shared object concurrently.
-// TODO(wan@google.com): rename this to safe_linked_ptr to avoid
-// confusion with normal linked_ptr.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
-
-#include <stdlib.h>
-#include <assert.h>
-
-
-namespace testing {
-namespace internal {
-
-// Protects copying of all linked_ptr objects.
-GTEST_API_ GTEST_DECLARE_STATIC_MUTEX_(g_linked_ptr_mutex);
-
-// This is used internally by all instances of linked_ptr<>.  It needs to be
-// a non-template class because different types of linked_ptr<> can refer to
-// the same object (linked_ptr<Superclass>(obj) vs linked_ptr<Subclass>(obj)).
-// So, it needs to be possible for different types of linked_ptr to participate
-// in the same circular linked list, so we need a single class type here.
-//
-// DO NOT USE THIS CLASS DIRECTLY YOURSELF.  Use linked_ptr<T>.
-class linked_ptr_internal {
- public:
-  // Create a new circle that includes only this instance.
-  void join_new() {
-    next_ = this;
-  }
-
-  // Many linked_ptr operations may change p.link_ for some linked_ptr
-  // variable p in the same circle as this object.  Therefore we need
-  // to prevent two such operations from occurring concurrently.
-  //
-  // Note that different types of linked_ptr objects can coexist in a
-  // circle (e.g. linked_ptr<Base>, linked_ptr<Derived1>, and
-  // linked_ptr<Derived2>).  Therefore we must use a single mutex to
-  // protect all linked_ptr objects.  This can create serious
-  // contention in production code, but is acceptable in a testing
-  // framework.
-
-  // Join an existing circle.
-  void join(linked_ptr_internal const* ptr)
-      GTEST_LOCK_EXCLUDED_(g_linked_ptr_mutex) {
-    MutexLock lock(&g_linked_ptr_mutex);
-
-    linked_ptr_internal const* p = ptr;
-    while (p->next_ != ptr) p = p->next_;
-    p->next_ = this;
-    next_ = ptr;
-  }
-
-  // Leave whatever circle we're part of.  Returns true if we were the
-  // last member of the circle.  Once this is done, you can join() another.
-  bool depart()
-      GTEST_LOCK_EXCLUDED_(g_linked_ptr_mutex) {
-    MutexLock lock(&g_linked_ptr_mutex);
-
-    if (next_ == this) return true;
-    linked_ptr_internal const* p = next_;
-    while (p->next_ != this) p = p->next_;
-    p->next_ = next_;
-    return false;
-  }
-
- private:
-  mutable linked_ptr_internal const* next_;
-};
-
-template <typename T>
-class linked_ptr {
- public:
-  typedef T element_type;
-
-  // Take over ownership of a raw pointer.  This should happen as soon as
-  // possible after the object is created.
-  explicit linked_ptr(T* ptr = NULL) { capture(ptr); }
-  ~linked_ptr() { depart(); }
-
-  // Copy an existing linked_ptr<>, adding ourselves to the list of references.
-  template <typename U> linked_ptr(linked_ptr<U> const& ptr) { copy(&ptr); }
-  linked_ptr(linked_ptr const& ptr) {  // NOLINT
-    assert(&ptr != this);
-    copy(&ptr);
-  }
-
-  // Assignment releases the old value and acquires the new.
-  template <typename U> linked_ptr& operator=(linked_ptr<U> const& ptr) {
-    depart();
-    copy(&ptr);
-    return *this;
-  }
-
-  linked_ptr& operator=(linked_ptr const& ptr) {
-    if (&ptr != this) {
-      depart();
-      copy(&ptr);
-    }
-    return *this;
-  }
-
-  // Smart pointer members.
-  void reset(T* ptr = NULL) {
-    depart();
-    capture(ptr);
-  }
-  T* get() const { return value_; }
-  T* operator->() const { return value_; }
-  T& operator*() const { return *value_; }
-
-  bool operator==(T* p) const { return value_ == p; }
-  bool operator!=(T* p) const { return value_ != p; }
-  template <typename U>
-  bool operator==(linked_ptr<U> const& ptr) const {
-    return value_ == ptr.get();
-  }
-  template <typename U>
-  bool operator!=(linked_ptr<U> const& ptr) const {
-    return value_ != ptr.get();
-  }
-
- private:
-  template <typename U>
-  friend class linked_ptr;
-
-  T* value_;
-  linked_ptr_internal link_;
-
-  void depart() {
-    if (link_.depart()) delete value_;
-  }
-
-  void capture(T* ptr) {
-    value_ = ptr;
-    link_.join_new();
-  }
-
-  template <typename U> void copy(linked_ptr<U> const* ptr) {
-    value_ = ptr->get();
-    if (value_)
-      link_.join(&ptr->link_);
-    else
-      link_.join_new();
-  }
-};
-
-template<typename T> inline
-bool operator==(T* ptr, const linked_ptr<T>& x) {
-  return ptr == x.get();
-}
-
-template<typename T> inline
-bool operator!=(T* ptr, const linked_ptr<T>& x) {
-  return ptr != x.get();
-}
-
-// A function to convert T* into linked_ptr<T>
-// Doing e.g. make_linked_ptr(new FooBarBaz<type>(arg)) is a shorter notation
-// for linked_ptr<FooBarBaz<type> >(new FooBarBaz<type>(arg))
-template <typename T>
-linked_ptr<T> make_linked_ptr(T* ptr) {
-  return linked_ptr<T>(ptr);
-}
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_LINKED_PTR_H_
-// Copyright 2007, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-// Google Test - The Google C++ Testing Framework
-//
-// This file implements a universal value printer that can print a
-// value of any type T:
-//
-//   void ::testing::internal::UniversalPrinter<T>::Print(value, ostream_ptr);
-//
-// A user can teach this function how to print a class type T by
-// defining either operator<<() or PrintTo() in the namespace that
-// defines T.  More specifically, the FIRST defined function in the
-// following list will be used (assuming T is defined in namespace
-// foo):
-//
-//   1. foo::PrintTo(const T&, ostream*)
-//   2. operator<<(ostream&, const T&) defined in either foo or the
-//      global namespace.
-//
-// If none of the above is defined, it will print the debug string of
-// the value if it is a protocol buffer, or print the raw bytes in the
-// value otherwise.
-//
-// To aid debugging: when T is a reference type, the address of the
-// value is also printed; when T is a (const) char pointer, both the
-// pointer value and the NUL-terminated string it points to are
-// printed.
-//
-// We also provide some convenient wrappers:
-//
-//   // Prints a value to a string.  For a (const or not) char
-//   // pointer, the NUL-terminated string (but not the pointer) is
-//   // printed.
-//   std::string ::testing::PrintToString(const T& value);
-//
-//   // Prints a value tersely: for a reference type, the referenced
-//   // value (but not the address) is printed; for a (const or not) char
-//   // pointer, the NUL-terminated string (but not the pointer) is
-//   // printed.
-//   void ::testing::internal::UniversalTersePrint(const T& value, ostream*);
-//
-//   // Prints value using the type inferred by the compiler.  The difference
-//   // from UniversalTersePrint() is that this function prints both the
-//   // pointer and the NUL-terminated string for a (const or not) char pointer.
-//   void ::testing::internal::UniversalPrint(const T& value, ostream*);
-//
-//   // Prints the fields of a tuple tersely to a string vector, one
-//   // element for each field. Tuple support must be enabled in
-//   // gtest-port.h.
-//   std::vector<string> UniversalTersePrintTupleFieldsToStrings(
-//       const Tuple& value);
-//
-// Known limitation:
-//
-// The print primitives print the elements of an STL-style container
-// using the compiler-inferred type of *iter where iter is a
-// const_iterator of the container.  When const_iterator is an input
-// iterator but not a forward iterator, this inferred type may not
-// match value_type, and the print output may be incorrect.  In
-// practice, this is rarely a problem as for most containers
-// const_iterator is a forward iterator.  We'll fix this if there's an
-// actual need for it.  Note that this fix cannot rely on value_type
-// being defined as many user-defined container types don't have
-// value_type.
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
-#define GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
-
-#include <ostream>  // NOLINT
-#include <sstream>
-#include <string>
-#include <utility>
-#include <vector>
-
-namespace testing {
-
-// Definitions in the 'internal' and 'internal2' name spaces are
-// subject to change without notice.  DO NOT USE THEM IN USER CODE!
-namespace internal2 {
-
-// Prints the given number of bytes in the given object to the given
-// ostream.
-GTEST_API_ void PrintBytesInObjectTo(const unsigned char* obj_bytes,
-                                     size_t count,
-                                     ::std::ostream* os);
-
-// For selecting which printer to use when a given type has neither <<
-// nor PrintTo().
-enum TypeKind {
-  kProtobuf,              // a protobuf type
-  kConvertibleToInteger,  // a type implicitly convertible to BiggestInt
-                          // (e.g. a named or unnamed enum type)
-  kOtherType              // anything else
-};
-
-// TypeWithoutFormatter<T, kTypeKind>::PrintValue(value, os) is called
-// by the universal printer to print a value of type T when neither
-// operator<< nor PrintTo() is defined for T, where kTypeKind is the
-// "kind" of T as defined by enum TypeKind.
-template <typename T, TypeKind kTypeKind>
-class TypeWithoutFormatter {
- public:
-  // This default version is called when kTypeKind is kOtherType.
-  static void PrintValue(const T& value, ::std::ostream* os) {
-    PrintBytesInObjectTo(reinterpret_cast<const unsigned char*>(&value),
-                         sizeof(value), os);
-  }
-};
-
-// We print a protobuf using its ShortDebugString() when the string
-// doesn't exceed this many characters; otherwise we print it using
-// DebugString() for better readability.
-const size_t kProtobufOneLinerMaxLength = 50;
-
-template <typename T>
-class TypeWithoutFormatter<T, kProtobuf> {
- public:
-  static void PrintValue(const T& value, ::std::ostream* os) {
-    const ::testing::internal::string short_str = value.ShortDebugString();
-    const ::testing::internal::string pretty_str =
-        short_str.length() <= kProtobufOneLinerMaxLength ?
-        short_str : ("\n" + value.DebugString());
-    *os << ("<" + pretty_str + ">");
-  }
-};
-
-template <typename T>
-class TypeWithoutFormatter<T, kConvertibleToInteger> {
- public:
-  // Since T has no << operator or PrintTo() but can be implicitly
-  // converted to BiggestInt, we print it as a BiggestInt.
-  //
-  // Most likely T is an enum type (either named or unnamed), in which
-  // case printing it as an integer is the desired behavior.  In case
-  // T is not an enum, printing it as an integer is the best we can do
-  // given that it has no user-defined printer.
-  static void PrintValue(const T& value, ::std::ostream* os) {
-    const internal::BiggestInt kBigInt = value;
-    *os << kBigInt;
-  }
-};
-
-// Prints the given value to the given ostream.  If the value is a
-// protocol message, its debug string is printed; if it's an enum or
-// of a type implicitly convertible to BiggestInt, it's printed as an
-// integer; otherwise the bytes in the value are printed.  This is
-// what UniversalPrinter<T>::Print() does when it knows nothing about
-// type T and T has neither << operator nor PrintTo().
-//
-// A user can override this behavior for a class type Foo by defining
-// a << operator in the namespace where Foo is defined.
-//
-// We put this operator in namespace 'internal2' instead of 'internal'
-// to simplify the implementation, as much code in 'internal' needs to
-// use << in STL, which would conflict with our own << were it defined
-// in 'internal'.
-//
-// Note that this operator<< takes a generic std::basic_ostream<Char,
-// CharTraits> type instead of the more restricted std::ostream.  If
-// we define it to take an std::ostream instead, we'll get an
-// "ambiguous overloads" compiler error when trying to print a type
-// Foo that supports streaming to std::basic_ostream<Char,
-// CharTraits>, as the compiler cannot tell whether
-// operator<<(std::ostream&, const T&) or
-// operator<<(std::basic_stream<Char, CharTraits>, const Foo&) is more
-// specific.
-template <typename Char, typename CharTraits, typename T>
-::std::basic_ostream<Char, CharTraits>& operator<<(
-    ::std::basic_ostream<Char, CharTraits>& os, const T& x) {
-  TypeWithoutFormatter<T,
-      (internal::IsAProtocolMessage<T>::value ? kProtobuf :
-       internal::ImplicitlyConvertible<const T&, internal::BiggestInt>::value ?
-       kConvertibleToInteger : kOtherType)>::PrintValue(x, &os);
-  return os;
-}
-
-}  // namespace internal2
-}  // namespace testing
-
-// This namespace MUST NOT BE NESTED IN ::testing, or the name look-up
-// magic needed for implementing UniversalPrinter won't work.
-namespace testing_internal {
-
-// Used to print a value that is not an STL-style container when the
-// user doesn't define PrintTo() for it.
-template <typename T>
-void DefaultPrintNonContainerTo(const T& value, ::std::ostream* os) {
-  // With the following statement, during unqualified name lookup,
-  // testing::internal2::operator<< appears as if it was declared in
-  // the nearest enclosing namespace that contains both
-  // ::testing_internal and ::testing::internal2, i.e. the global
-  // namespace.  For more details, refer to the C++ Standard section
-  // 7.3.4-1 [namespace.udir].  This allows us to fall back onto
-  // testing::internal2::operator<< in case T doesn't come with a <<
-  // operator.
-  //
-  // We cannot write 'using ::testing::internal2::operator<<;', which
-  // gcc 3.3 fails to compile due to a compiler bug.
-  using namespace ::testing::internal2;  // NOLINT
-
-  // Assuming T is defined in namespace foo, in the next statement,
-  // the compiler will consider all of:
-  //
-  //   1. foo::operator<< (thanks to Koenig look-up),
-  //   2. ::operator<< (as the current namespace is enclosed in ::),
-  //   3. testing::internal2::operator<< (thanks to the using statement above).
-  //
-  // The operator<< whose type matches T best will be picked.
-  //
-  // We deliberately allow #2 to be a candidate, as sometimes it's
-  // impossible to define #1 (e.g. when foo is ::std, defining
-  // anything in it is undefined behavior unless you are a compiler
-  // vendor.).
-  *os << value;
-}
-
-}  // namespace testing_internal
-
-namespace testing {
-namespace internal {
-
-// UniversalPrinter<T>::Print(value, ostream_ptr) prints the given
-// value to the given ostream.  The caller must ensure that
-// 'ostream_ptr' is not NULL, or the behavior is undefined.
-//
-// We define UniversalPrinter as a class template (as opposed to a
-// function template), as we need to partially specialize it for
-// reference types, which cannot be done with function templates.
-template <typename T>
-class UniversalPrinter;
-
-template <typename T>
-void UniversalPrint(const T& value, ::std::ostream* os);
-
-// Used to print an STL-style container when the user doesn't define
-// a PrintTo() for it.
-template <typename C>
-void DefaultPrintTo(IsContainer /* dummy */,
-                    false_type /* is not a pointer */,
-                    const C& container, ::std::ostream* os) {
-  const size_t kMaxCount = 32;  // The maximum number of elements to print.
-  *os << '{';
-  size_t count = 0;
-  for (typename C::const_iterator it = container.begin();
-       it != container.end(); ++it, ++count) {
-    if (count > 0) {
-      *os << ',';
-      if (count == kMaxCount) {  // Enough has been printed.
-        *os << " ...";
-        break;
-      }
-    }
-    *os << ' ';
-    // We cannot call PrintTo(*it, os) here as PrintTo() doesn't
-    // handle *it being a native array.
-    internal::UniversalPrint(*it, os);
-  }
-
-  if (count > 0) {
-    *os << ' ';
-  }
-  *os << '}';
-}
-
-// Used to print a pointer that is neither a char pointer nor a member
-// pointer, when the user doesn't define PrintTo() for it.  (A member
-// variable pointer or member function pointer doesn't really point to
-// a location in the address space.  Their representation is
-// implementation-defined.  Therefore they will be printed as raw
-// bytes.)
-template <typename T>
-void DefaultPrintTo(IsNotContainer /* dummy */,
-                    true_type /* is a pointer */,
-                    T* p, ::std::ostream* os) {
-  if (p == NULL) {
-    *os << "NULL";
-  } else {
-    // C++ doesn't allow casting from a function pointer to any object
-    // pointer.
-    //
-    // IsTrue() silences warnings: "Condition is always true",
-    // "unreachable code".
-    if (IsTrue(ImplicitlyConvertible<T*, const void*>::value)) {
-      // T is not a function type.  We just call << to print p,
-      // relying on ADL to pick up user-defined << for their pointer
-      // types, if any.
-      *os << p;
-    } else {
-      // T is a function type, so '*os << p' doesn't do what we want
-      // (it just prints p as bool).  We want to print p as a const
-      // void*.  However, we cannot cast it to const void* directly,
-      // even using reinterpret_cast, as earlier versions of gcc
-      // (e.g. 3.4.5) cannot compile the cast when p is a function
-      // pointer.  Casting to UInt64 first solves the problem.
-      *os << reinterpret_cast<const void*>(
-          reinterpret_cast<internal::UInt64>(p));
-    }
-  }
-}
-
-// Used to print a non-container, non-pointer value when the user
-// doesn't define PrintTo() for it.
-template <typename T>
-void DefaultPrintTo(IsNotContainer /* dummy */,
-                    false_type /* is not a pointer */,
-                    const T& value, ::std::ostream* os) {
-  ::testing_internal::DefaultPrintNonContainerTo(value, os);
-}
-
-// Prints the given value using the << operator if it has one;
-// otherwise prints the bytes in it.  This is what
-// UniversalPrinter<T>::Print() does when PrintTo() is not specialized
-// or overloaded for type T.
-//
-// A user can override this behavior for a class type Foo by defining
-// an overload of PrintTo() in the namespace where Foo is defined.  We
-// give the user this option as sometimes defining a << operator for
-// Foo is not desirable (e.g. the coding style may prevent doing it,
-// or there is already a << operator but it doesn't do what the user
-// wants).
-template <typename T>
-void PrintTo(const T& value, ::std::ostream* os) {
-  // DefaultPrintTo() is overloaded.  The type of its first two
-  // arguments determine which version will be picked.  If T is an
-  // STL-style container, the version for container will be called; if
-  // T is a pointer, the pointer version will be called; otherwise the
-  // generic version will be called.
-  //
-  // Note that we check for container types here, prior to we check
-  // for protocol message types in our operator<<.  The rationale is:
-  //
-  // For protocol messages, we want to give people a chance to
-  // override Google Mock's format by defining a PrintTo() or
-  // operator<<.  For STL containers, other formats can be
-  // incompatible with Google Mock's format for the container
-  // elements; therefore we check for container types here to ensure
-  // that our format is used.
-  //
-  // The second argument of DefaultPrintTo() is needed to bypass a bug
-  // in Symbian's C++ compiler that prevents it from picking the right
-  // overload between:
-  //
-  //   PrintTo(const T& x, ...);
-  //   PrintTo(T* x, ...);
-  DefaultPrintTo(IsContainerTest<T>(0), is_pointer<T>(), value, os);
-}
-
-// The following list of PrintTo() overloads tells
-// UniversalPrinter<T>::Print() how to print standard types (built-in
-// types, strings, plain arrays, and pointers).
-
-// Overloads for various char types.
-GTEST_API_ void PrintTo(unsigned char c, ::std::ostream* os);
-GTEST_API_ void PrintTo(signed char c, ::std::ostream* os);
-inline void PrintTo(char c, ::std::ostream* os) {
-  // When printing a plain char, we always treat it as unsigned.  This
-  // way, the output won't be affected by whether the compiler thinks
-  // char is signed or not.
-  PrintTo(static_cast<unsigned char>(c), os);
-}
-
-// Overloads for other simple built-in types.
-inline void PrintTo(bool x, ::std::ostream* os) {
-  *os << (x ? "true" : "false");
-}
-
-// Overload for wchar_t type.
-// Prints a wchar_t as a symbol if it is printable or as its internal
-// code otherwise and also as its decimal code (except for L'\0').
-// The L'\0' char is printed as "L'\\0'". The decimal code is printed
-// as signed integer when wchar_t is implemented by the compiler
-// as a signed type and is printed as an unsigned integer when wchar_t
-// is implemented as an unsigned type.
-GTEST_API_ void PrintTo(wchar_t wc, ::std::ostream* os);
-
-// Overloads for C strings.
-GTEST_API_ void PrintTo(const char* s, ::std::ostream* os);
-inline void PrintTo(char* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const char*>(s), os);
-}
-
-// signed/unsigned char is often used for representing binary data, so
-// we print pointers to it as void* to be safe.
-inline void PrintTo(const signed char* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const void*>(s), os);
-}
-inline void PrintTo(signed char* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const void*>(s), os);
-}
-inline void PrintTo(const unsigned char* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const void*>(s), os);
-}
-inline void PrintTo(unsigned char* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const void*>(s), os);
-}
-
-// MSVC can be configured to define wchar_t as a typedef of unsigned
-// short.  It defines _NATIVE_WCHAR_T_DEFINED when wchar_t is a native
-// type.  When wchar_t is a typedef, defining an overload for const
-// wchar_t* would cause unsigned short* be printed as a wide string,
-// possibly causing invalid memory accesses.
-#if !defined(_MSC_VER) || defined(_NATIVE_WCHAR_T_DEFINED)
-// Overloads for wide C strings
-GTEST_API_ void PrintTo(const wchar_t* s, ::std::ostream* os);
-inline void PrintTo(wchar_t* s, ::std::ostream* os) {
-  PrintTo(ImplicitCast_<const wchar_t*>(s), os);
-}
-#endif
-
-// Overload for C arrays.  Multi-dimensional arrays are printed
-// properly.
-
-// Prints the given number of elements in an array, without printing
-// the curly braces.
-template <typename T>
-void PrintRawArrayTo(const T a[], size_t count, ::std::ostream* os) {
-  UniversalPrint(a[0], os);
-  for (size_t i = 1; i != count; i++) {
-    *os << ", ";
-    UniversalPrint(a[i], os);
-  }
-}
-
-// Overloads for ::string and ::std::string.
-#if GTEST_HAS_GLOBAL_STRING
-GTEST_API_ void PrintStringTo(const ::string&s, ::std::ostream* os);
-inline void PrintTo(const ::string& s, ::std::ostream* os) {
-  PrintStringTo(s, os);
-}
-#endif  // GTEST_HAS_GLOBAL_STRING
-
-GTEST_API_ void PrintStringTo(const ::std::string&s, ::std::ostream* os);
-inline void PrintTo(const ::std::string& s, ::std::ostream* os) {
-  PrintStringTo(s, os);
-}
-
-// Overloads for ::wstring and ::std::wstring.
-#if GTEST_HAS_GLOBAL_WSTRING
-GTEST_API_ void PrintWideStringTo(const ::wstring&s, ::std::ostream* os);
-inline void PrintTo(const ::wstring& s, ::std::ostream* os) {
-  PrintWideStringTo(s, os);
-}
-#endif  // GTEST_HAS_GLOBAL_WSTRING
-
-#if GTEST_HAS_STD_WSTRING
-GTEST_API_ void PrintWideStringTo(const ::std::wstring&s, ::std::ostream* os);
-inline void PrintTo(const ::std::wstring& s, ::std::ostream* os) {
-  PrintWideStringTo(s, os);
-}
-#endif  // GTEST_HAS_STD_WSTRING
-
-#if GTEST_HAS_TR1_TUPLE
-// Overload for ::std::tr1::tuple.  Needed for printing function arguments,
-// which are packed as tuples.
-
-// Helper function for printing a tuple.  T must be instantiated with
-// a tuple type.
-template <typename T>
-void PrintTupleTo(const T& t, ::std::ostream* os);
-
-// Overloaded PrintTo() for tuples of various arities.  We support
-// tuples of up-to 10 fields.  The following implementation works
-// regardless of whether tr1::tuple is implemented using the
-// non-standard variadic template feature or not.
-
-inline void PrintTo(const ::std::tr1::tuple<>& t, ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1>
-void PrintTo(const ::std::tr1::tuple<T1>& t, ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2>
-void PrintTo(const ::std::tr1::tuple<T1, T2>& t, ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3>& t, ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4>& t, ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5>& t,
-             ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-          typename T6>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6>& t,
-             ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-          typename T6, typename T7>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7>& t,
-             ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-          typename T6, typename T7, typename T8>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8>& t,
-             ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-          typename T6, typename T7, typename T8, typename T9>
-void PrintTo(const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9>& t,
-             ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-          typename T6, typename T7, typename T8, typename T9, typename T10>
-void PrintTo(
-    const ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10>& t,
-    ::std::ostream* os) {
-  PrintTupleTo(t, os);
-}
-#endif  // GTEST_HAS_TR1_TUPLE
-
-// Overload for std::pair.
-template <typename T1, typename T2>
-void PrintTo(const ::std::pair<T1, T2>& value, ::std::ostream* os) {
-  *os << '(';
-  // We cannot use UniversalPrint(value.first, os) here, as T1 may be
-  // a reference type.  The same for printing value.second.
-  UniversalPrinter<T1>::Print(value.first, os);
-  *os << ", ";
-  UniversalPrinter<T2>::Print(value.second, os);
-  *os << ')';
-}
-
-// Implements printing a non-reference type T by letting the compiler
-// pick the right overload of PrintTo() for T.
-template <typename T>
-class UniversalPrinter {
- public:
-  // MSVC warns about adding const to a function type, so we want to
-  // disable the warning.
-#ifdef _MSC_VER
-# pragma warning(push)          // Saves the current warning state.
-# pragma warning(disable:4180)  // Temporarily disables warning 4180.
-#endif  // _MSC_VER
-
-  // Note: we deliberately don't call this PrintTo(), as that name
-  // conflicts with ::testing::internal::PrintTo in the body of the
-  // function.
-  static void Print(const T& value, ::std::ostream* os) {
-    // By default, ::testing::internal::PrintTo() is used for printing
-    // the value.
-    //
-    // Thanks to Koenig look-up, if T is a class and has its own
-    // PrintTo() function defined in its namespace, that function will
-    // be visible here.  Since it is more specific than the generic ones
-    // in ::testing::internal, it will be picked by the compiler in the
-    // following statement - exactly what we want.
-    PrintTo(value, os);
-  }
-
-#ifdef _MSC_VER
-# pragma warning(pop)           // Restores the warning state.
-#endif  // _MSC_VER
-};
-
-// UniversalPrintArray(begin, len, os) prints an array of 'len'
-// elements, starting at address 'begin'.
-template <typename T>
-void UniversalPrintArray(const T* begin, size_t len, ::std::ostream* os) {
-  if (len == 0) {
-    *os << "{}";
-  } else {
-    *os << "{ ";
-    const size_t kThreshold = 18;
-    const size_t kChunkSize = 8;
-    // If the array has more than kThreshold elements, we'll have to
-    // omit some details by printing only the first and the last
-    // kChunkSize elements.
-    // TODO(wan@google.com): let the user control the threshold using a flag.
-    if (len <= kThreshold) {
-      PrintRawArrayTo(begin, len, os);
-    } else {
-      PrintRawArrayTo(begin, kChunkSize, os);
-      *os << ", ..., ";
-      PrintRawArrayTo(begin + len - kChunkSize, kChunkSize, os);
-    }
-    *os << " }";
-  }
-}
-// This overload prints a (const) char array compactly.
-GTEST_API_ void UniversalPrintArray(
-    const char* begin, size_t len, ::std::ostream* os);
-
-// This overload prints a (const) wchar_t array compactly.
-GTEST_API_ void UniversalPrintArray(
-    const wchar_t* begin, size_t len, ::std::ostream* os);
-
-// Implements printing an array type T[N].
-template <typename T, size_t N>
-class UniversalPrinter<T[N]> {
- public:
-  // Prints the given array, omitting some elements when there are too
-  // many.
-  static void Print(const T (&a)[N], ::std::ostream* os) {
-    UniversalPrintArray(a, N, os);
-  }
-};
-
-// Implements printing a reference type T&.
-template <typename T>
-class UniversalPrinter<T&> {
- public:
-  // MSVC warns about adding const to a function type, so we want to
-  // disable the warning.
-#ifdef _MSC_VER
-# pragma warning(push)          // Saves the current warning state.
-# pragma warning(disable:4180)  // Temporarily disables warning 4180.
-#endif  // _MSC_VER
-
-  static void Print(const T& value, ::std::ostream* os) {
-    // Prints the address of the value.  We use reinterpret_cast here
-    // as static_cast doesn't compile when T is a function type.
-    *os << "@" << reinterpret_cast<const void*>(&value) << " ";
-
-    // Then prints the value itself.
-    UniversalPrint(value, os);
-  }
-
-#ifdef _MSC_VER
-# pragma warning(pop)           // Restores the warning state.
-#endif  // _MSC_VER
-};
-
-// Prints a value tersely: for a reference type, the referenced value
-// (but not the address) is printed; for a (const) char pointer, the
-// NUL-terminated string (but not the pointer) is printed.
-
-template <typename T>
-class UniversalTersePrinter {
- public:
-  static void Print(const T& value, ::std::ostream* os) {
-    UniversalPrint(value, os);
-  }
-};
-template <typename T>
-class UniversalTersePrinter<T&> {
- public:
-  static void Print(const T& value, ::std::ostream* os) {
-    UniversalPrint(value, os);
-  }
-};
-template <typename T, size_t N>
-class UniversalTersePrinter<T[N]> {
- public:
-  static void Print(const T (&value)[N], ::std::ostream* os) {
-    UniversalPrinter<T[N]>::Print(value, os);
-  }
-};
-template <>
-class UniversalTersePrinter<const char*> {
- public:
-  static void Print(const char* str, ::std::ostream* os) {
-    if (str == NULL) {
-      *os << "NULL";
-    } else {
-      UniversalPrint(string(str), os);
-    }
-  }
-};
-template <>
-class UniversalTersePrinter<char*> {
- public:
-  static void Print(char* str, ::std::ostream* os) {
-    UniversalTersePrinter<const char*>::Print(str, os);
-  }
-};
-
-#if GTEST_HAS_STD_WSTRING
-template <>
-class UniversalTersePrinter<const wchar_t*> {
- public:
-  static void Print(const wchar_t* str, ::std::ostream* os) {
-    if (str == NULL) {
-      *os << "NULL";
-    } else {
-      UniversalPrint(::std::wstring(str), os);
-    }
-  }
-};
-#endif
-
-template <>
-class UniversalTersePrinter<wchar_t*> {
- public:
-  static void Print(wchar_t* str, ::std::ostream* os) {
-    UniversalTersePrinter<const wchar_t*>::Print(str, os);
-  }
-};
-
-template <typename T>
-void UniversalTersePrint(const T& value, ::std::ostream* os) {
-  UniversalTersePrinter<T>::Print(value, os);
-}
-
-// Prints a value using the type inferred by the compiler.  The
-// difference between this and UniversalTersePrint() is that for a
-// (const) char pointer, this prints both the pointer and the
-// NUL-terminated string.
-template <typename T>
-void UniversalPrint(const T& value, ::std::ostream* os) {
-  // A workarond for the bug in VC++ 7.1 that prevents us from instantiating
-  // UniversalPrinter with T directly.
-  typedef T T1;
-  UniversalPrinter<T1>::Print(value, os);
-}
-
-#if GTEST_HAS_TR1_TUPLE
-typedef ::std::vector<string> Strings;
-
-// This helper template allows PrintTo() for tuples and
-// UniversalTersePrintTupleFieldsToStrings() to be defined by
-// induction on the number of tuple fields.  The idea is that
-// TuplePrefixPrinter<N>::PrintPrefixTo(t, os) prints the first N
-// fields in tuple t, and can be defined in terms of
-// TuplePrefixPrinter<N - 1>.
-
-// The inductive case.
-template <size_t N>
-struct TuplePrefixPrinter {
-  // Prints the first N fields of a tuple.
-  template <typename Tuple>
-  static void PrintPrefixTo(const Tuple& t, ::std::ostream* os) {
-    TuplePrefixPrinter<N - 1>::PrintPrefixTo(t, os);
-    *os << ", ";
-    UniversalPrinter<typename ::std::tr1::tuple_element<N - 1, Tuple>::type>
-        ::Print(::std::tr1::get<N - 1>(t), os);
-  }
-
-  // Tersely prints the first N fields of a tuple to a string vector,
-  // one element for each field.
-  template <typename Tuple>
-  static void TersePrintPrefixToStrings(const Tuple& t, Strings* strings) {
-    TuplePrefixPrinter<N - 1>::TersePrintPrefixToStrings(t, strings);
-    ::std::stringstream ss;
-    UniversalTersePrint(::std::tr1::get<N - 1>(t), &ss);
-    strings->push_back(ss.str());
-  }
-};
-
-// Base cases.
-template <>
-struct TuplePrefixPrinter<0> {
-  template <typename Tuple>
-  static void PrintPrefixTo(const Tuple&, ::std::ostream*) {}
-
-  template <typename Tuple>
-  static void TersePrintPrefixToStrings(const Tuple&, Strings*) {}
-};
-// We have to specialize the entire TuplePrefixPrinter<> class
-// template here, even though the definition of
-// TersePrintPrefixToStrings() is the same as the generic version, as
-// Embarcadero (formerly CodeGear, formerly Borland) C++ doesn't
-// support specializing a method template of a class template.
-template <>
-struct TuplePrefixPrinter<1> {
-  template <typename Tuple>
-  static void PrintPrefixTo(const Tuple& t, ::std::ostream* os) {
-    UniversalPrinter<typename ::std::tr1::tuple_element<0, Tuple>::type>::
-        Print(::std::tr1::get<0>(t), os);
-  }
-
-  template <typename Tuple>
-  static void TersePrintPrefixToStrings(const Tuple& t, Strings* strings) {
-    ::std::stringstream ss;
-    UniversalTersePrint(::std::tr1::get<0>(t), &ss);
-    strings->push_back(ss.str());
-  }
-};
-
-// Helper function for printing a tuple.  T must be instantiated with
-// a tuple type.
-template <typename T>
-void PrintTupleTo(const T& t, ::std::ostream* os) {
-  *os << "(";
-  TuplePrefixPrinter< ::std::tr1::tuple_size<T>::value>::
-      PrintPrefixTo(t, os);
-  *os << ")";
-}
-
-// Prints the fields of a tuple tersely to a string vector, one
-// element for each field.  See the comment before
-// UniversalTersePrint() for how we define "tersely".
-template <typename Tuple>
-Strings UniversalTersePrintTupleFieldsToStrings(const Tuple& value) {
-  Strings result;
-  TuplePrefixPrinter< ::std::tr1::tuple_size<Tuple>::value>::
-      TersePrintPrefixToStrings(value, &result);
-  return result;
-}
-#endif  // GTEST_HAS_TR1_TUPLE
-
-}  // namespace internal
-
-template <typename T>
-::std::string PrintToString(const T& value) {
-  ::std::stringstream ss;
-  internal::UniversalTersePrinter<T>::Print(value, &ss);
-  return ss.str();
-}
-
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_PRINTERS_H_
-
-#if GTEST_HAS_PARAM_TEST
-
-namespace testing {
-namespace internal {
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Outputs a message explaining invalid registration of different
-// fixture class for the same test case. This may happen when
-// TEST_P macro is used to define two tests with the same name
-// but in different namespaces.
-GTEST_API_ void ReportInvalidTestCaseType(const char* test_case_name,
-                                          const char* file, int line);
-
-template <typename> class ParamGeneratorInterface;
-template <typename> class ParamGenerator;
-
-// Interface for iterating over elements provided by an implementation
-// of ParamGeneratorInterface<T>.
-template <typename T>
-class ParamIteratorInterface {
- public:
-  virtual ~ParamIteratorInterface() {}
-  // A pointer to the base generator instance.
-  // Used only for the purposes of iterator comparison
-  // to make sure that two iterators belong to the same generator.
-  virtual const ParamGeneratorInterface<T>* BaseGenerator() const = 0;
-  // Advances iterator to point to the next element
-  // provided by the generator. The caller is responsible
-  // for not calling Advance() on an iterator equal to
-  // BaseGenerator()->End().
-  virtual void Advance() = 0;
-  // Clones the iterator object. Used for implementing copy semantics
-  // of ParamIterator<T>.
-  virtual ParamIteratorInterface* Clone() const = 0;
-  // Dereferences the current iterator and provides (read-only) access
-  // to the pointed value. It is the caller's responsibility not to call
-  // Current() on an iterator equal to BaseGenerator()->End().
-  // Used for implementing ParamGenerator<T>::operator*().
-  virtual const T* Current() const = 0;
-  // Determines whether the given iterator and other point to the same
-  // element in the sequence generated by the generator.
-  // Used for implementing ParamGenerator<T>::operator==().
-  virtual bool Equals(const ParamIteratorInterface& other) const = 0;
-};
-
-// Class iterating over elements provided by an implementation of
-// ParamGeneratorInterface<T>. It wraps ParamIteratorInterface<T>
-// and implements the const forward iterator concept.
-template <typename T>
-class ParamIterator {
- public:
-  typedef T value_type;
-  typedef const T& reference;
-  typedef ptrdiff_t difference_type;
-
-  // ParamIterator assumes ownership of the impl_ pointer.
-  ParamIterator(const ParamIterator& other) : impl_(other.impl_->Clone()) {}
-  ParamIterator& operator=(const ParamIterator& other) {
-    if (this != &other)
-      impl_.reset(other.impl_->Clone());
-    return *this;
-  }
-
-  const T& operator*() const { return *impl_->Current(); }
-  const T* operator->() const { return impl_->Current(); }
-  // Prefix version of operator++.
-  ParamIterator& operator++() {
-    impl_->Advance();
-    return *this;
-  }
-  // Postfix version of operator++.
-  ParamIterator operator++(int /*unused*/) {
-    ParamIteratorInterface<T>* clone = impl_->Clone();
-    impl_->Advance();
-    return ParamIterator(clone);
-  }
-  bool operator==(const ParamIterator& other) const {
-    return impl_.get() == other.impl_.get() || impl_->Equals(*other.impl_);
-  }
-  bool operator!=(const ParamIterator& other) const {
-    return !(*this == other);
-  }
-
- private:
-  friend class ParamGenerator<T>;
-  explicit ParamIterator(ParamIteratorInterface<T>* impl) : impl_(impl) {}
-  scoped_ptr<ParamIteratorInterface<T> > impl_;
-};
-
-// ParamGeneratorInterface<T> is the binary interface to access generators
-// defined in other translation units.
-template <typename T>
-class ParamGeneratorInterface {
- public:
-  typedef T ParamType;
-
-  virtual ~ParamGeneratorInterface() {}
-
-  // Generator interface definition
-  virtual ParamIteratorInterface<T>* Begin() const = 0;
-  virtual ParamIteratorInterface<T>* End() const = 0;
-};
-
-// Wraps ParamGeneratorInterface<T> and provides general generator syntax
-// compatible with the STL Container concept.
-// This class implements copy initialization semantics and the contained
-// ParamGeneratorInterface<T> instance is shared among all copies
-// of the original object. This is possible because that instance is immutable.
-template<typename T>
-class ParamGenerator {
- public:
-  typedef ParamIterator<T> iterator;
-
-  explicit ParamGenerator(ParamGeneratorInterface<T>* impl) : impl_(impl) {}
-  ParamGenerator(const ParamGenerator& other) : impl_(other.impl_) {}
-
-  ParamGenerator& operator=(const ParamGenerator& other) {
-    impl_ = other.impl_;
-    return *this;
-  }
-
-  iterator begin() const { return iterator(impl_->Begin()); }
-  iterator end() const { return iterator(impl_->End()); }
-
- private:
-  linked_ptr<const ParamGeneratorInterface<T> > impl_;
-};
-
-// Generates values from a range of two comparable values. Can be used to
-// generate sequences of user-defined types that implement operator+() and
-// operator<().
-// This class is used in the Range() function.
-template <typename T, typename IncrementT>
-class RangeGenerator : public ParamGeneratorInterface<T> {
- public:
-  RangeGenerator(T begin, T end, IncrementT step)
-      : begin_(begin), end_(end),
-        step_(step), end_index_(CalculateEndIndex(begin, end, step)) {}
-  virtual ~RangeGenerator() {}
-
-  virtual ParamIteratorInterface<T>* Begin() const {
-    return new Iterator(this, begin_, 0, step_);
-  }
-  virtual ParamIteratorInterface<T>* End() const {
-    return new Iterator(this, end_, end_index_, step_);
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<T> {
-   public:
-    Iterator(const ParamGeneratorInterface<T>* base, T value, int index,
-             IncrementT step)
-        : base_(base), value_(value), index_(index), step_(step) {}
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<T>* BaseGenerator() const {
-      return base_;
-    }
-    virtual void Advance() {
-      value_ = value_ + step_;
-      index_++;
-    }
-    virtual ParamIteratorInterface<T>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const T* Current() const { return &value_; }
-    virtual bool Equals(const ParamIteratorInterface<T>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const int other_index =
-          CheckedDowncastToActualType<const Iterator>(&other)->index_;
-      return index_ == other_index;
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : ParamIteratorInterface<T>(),
-          base_(other.base_), value_(other.value_), index_(other.index_),
-          step_(other.step_) {}
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<T>* const base_;
-    T value_;
-    int index_;
-    const IncrementT step_;
-  };  // class RangeGenerator::Iterator
-
-  static int CalculateEndIndex(const T& begin,
-                               const T& end,
-                               const IncrementT& step) {
-    int end_index = 0;
-    for (T i = begin; i < end; i = i + step)
-      end_index++;
-    return end_index;
-  }
-
-  // No implementation - assignment is unsupported.
-  void operator=(const RangeGenerator& other);
-
-  const T begin_;
-  const T end_;
-  const IncrementT step_;
-  // The index for the end() iterator. All the elements in the generated
-  // sequence are indexed (0-based) to aid iterator comparison.
-  const int end_index_;
-};  // class RangeGenerator
-
-
-// Generates values from a pair of STL-style iterators. Used in the
-// ValuesIn() function. The elements are copied from the source range
-// since the source can be located on the stack, and the generator
-// is likely to persist beyond that stack frame.
-template <typename T>
-class ValuesInIteratorRangeGenerator : public ParamGeneratorInterface<T> {
- public:
-  template <typename ForwardIterator>
-  ValuesInIteratorRangeGenerator(ForwardIterator begin, ForwardIterator end)
-      : container_(begin, end) {}
-  virtual ~ValuesInIteratorRangeGenerator() {}
-
-  virtual ParamIteratorInterface<T>* Begin() const {
-    return new Iterator(this, container_.begin());
-  }
-  virtual ParamIteratorInterface<T>* End() const {
-    return new Iterator(this, container_.end());
-  }
-
- private:
-  typedef typename ::std::vector<T> ContainerType;
-
-  class Iterator : public ParamIteratorInterface<T> {
-   public:
-    Iterator(const ParamGeneratorInterface<T>* base,
-             typename ContainerType::const_iterator iterator)
-        : base_(base), iterator_(iterator) {}
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<T>* BaseGenerator() const {
-      return base_;
-    }
-    virtual void Advance() {
-      ++iterator_;
-      value_.reset();
-    }
-    virtual ParamIteratorInterface<T>* Clone() const {
-      return new Iterator(*this);
-    }
-    // We need to use cached value referenced by iterator_ because *iterator_
-    // can return a temporary object (and of type other then T), so just
-    // having "return &*iterator_;" doesn't work.
-    // value_ is updated here and not in Advance() because Advance()
-    // can advance iterator_ beyond the end of the range, and we cannot
-    // detect that fact. The client code, on the other hand, is
-    // responsible for not calling Current() on an out-of-range iterator.
-    virtual const T* Current() const {
-      if (value_.get() == NULL)
-        value_.reset(new T(*iterator_));
-      return value_.get();
-    }
-    virtual bool Equals(const ParamIteratorInterface<T>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      return iterator_ ==
-          CheckedDowncastToActualType<const Iterator>(&other)->iterator_;
-    }
-
-   private:
-    Iterator(const Iterator& other)
-          // The explicit constructor call suppresses a false warning
-          // emitted by gcc when supplied with the -Wextra option.
-        : ParamIteratorInterface<T>(),
-          base_(other.base_),
-          iterator_(other.iterator_) {}
-
-    const ParamGeneratorInterface<T>* const base_;
-    typename ContainerType::const_iterator iterator_;
-    // A cached value of *iterator_. We keep it here to allow access by
-    // pointer in the wrapping iterator's operator->().
-    // value_ needs to be mutable to be accessed in Current().
-    // Use of scoped_ptr helps manage cached value's lifetime,
-    // which is bound by the lifespan of the iterator itself.
-    mutable scoped_ptr<const T> value_;
-  };  // class ValuesInIteratorRangeGenerator::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const ValuesInIteratorRangeGenerator& other);
-
-  const ContainerType container_;
-};  // class ValuesInIteratorRangeGenerator
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Stores a parameter value and later creates tests parameterized with that
-// value.
-template <class TestClass>
-class ParameterizedTestFactory : public TestFactoryBase {
- public:
-  typedef typename TestClass::ParamType ParamType;
-  explicit ParameterizedTestFactory(ParamType parameter) :
-      parameter_(parameter) {}
-  virtual Test* CreateTest() {
-    TestClass::SetParam(&parameter_);
-    return new TestClass();
-  }
-
- private:
-  const ParamType parameter_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestFactory);
-};
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// TestMetaFactoryBase is a base class for meta-factories that create
-// test factories for passing into MakeAndRegisterTestInfo function.
-template <class ParamType>
-class TestMetaFactoryBase {
- public:
-  virtual ~TestMetaFactoryBase() {}
-
-  virtual TestFactoryBase* CreateTestFactory(ParamType parameter) = 0;
-};
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// TestMetaFactory creates test factories for passing into
-// MakeAndRegisterTestInfo function. Since MakeAndRegisterTestInfo receives
-// ownership of test factory pointer, same factory object cannot be passed
-// into that method twice. But ParameterizedTestCaseInfo is going to call
-// it for each Test/Parameter value combination. Thus it needs meta factory
-// creator class.
-template <class TestCase>
-class TestMetaFactory
-    : public TestMetaFactoryBase<typename TestCase::ParamType> {
- public:
-  typedef typename TestCase::ParamType ParamType;
-
-  TestMetaFactory() {}
-
-  virtual TestFactoryBase* CreateTestFactory(ParamType parameter) {
-    return new ParameterizedTestFactory<TestCase>(parameter);
-  }
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestMetaFactory);
-};
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// ParameterizedTestCaseInfoBase is a generic interface
-// to ParameterizedTestCaseInfo classes. ParameterizedTestCaseInfoBase
-// accumulates test information provided by TEST_P macro invocations
-// and generators provided by INSTANTIATE_TEST_CASE_P macro invocations
-// and uses that information to register all resulting test instances
-// in RegisterTests method. The ParameterizeTestCaseRegistry class holds
-// a collection of pointers to the ParameterizedTestCaseInfo objects
-// and calls RegisterTests() on each of them when asked.
-class ParameterizedTestCaseInfoBase {
- public:
-  virtual ~ParameterizedTestCaseInfoBase() {}
-
-  // Base part of test case name for display purposes.
-  virtual const string& GetTestCaseName() const = 0;
-  // Test case id to verify identity.
-  virtual TypeId GetTestCaseTypeId() const = 0;
-  // UnitTest class invokes this method to register tests in this
-  // test case right before running them in RUN_ALL_TESTS macro.
-  // This method should not be called more then once on any single
-  // instance of a ParameterizedTestCaseInfoBase derived class.
-  virtual void RegisterTests() = 0;
-
- protected:
-  ParameterizedTestCaseInfoBase() {}
-
- private:
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseInfoBase);
-};
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// ParameterizedTestCaseInfo accumulates tests obtained from TEST_P
-// macro invocations for a particular test case and generators
-// obtained from INSTANTIATE_TEST_CASE_P macro invocations for that
-// test case. It registers tests with all values generated by all
-// generators when asked.
-template <class TestCase>
-class ParameterizedTestCaseInfo : public ParameterizedTestCaseInfoBase {
- public:
-  // ParamType and GeneratorCreationFunc are private types but are required
-  // for declarations of public methods AddTestPattern() and
-  // AddTestCaseInstantiation().
-  typedef typename TestCase::ParamType ParamType;
-  // A function that returns an instance of appropriate generator type.
-  typedef ParamGenerator<ParamType>(GeneratorCreationFunc)();
-
-  explicit ParameterizedTestCaseInfo(const char* name)
-      : test_case_name_(name) {}
-
-  // Test case base name for display purposes.
-  virtual const string& GetTestCaseName() const { return test_case_name_; }
-  // Test case id to verify identity.
-  virtual TypeId GetTestCaseTypeId() const { return GetTypeId<TestCase>(); }
-  // TEST_P macro uses AddTestPattern() to record information
-  // about a single test in a LocalTestInfo structure.
-  // test_case_name is the base name of the test case (without invocation
-  // prefix). test_base_name is the name of an individual test without
-  // parameter index. For the test SequenceA/FooTest.DoBar/1 FooTest is
-  // test case base name and DoBar is test base name.
-  void AddTestPattern(const char* test_case_name,
-                      const char* test_base_name,
-                      TestMetaFactoryBase<ParamType>* meta_factory) {
-    tests_.push_back(linked_ptr<TestInfo>(new TestInfo(test_case_name,
-                                                       test_base_name,
-                                                       meta_factory)));
-  }
-  // INSTANTIATE_TEST_CASE_P macro uses AddGenerator() to record information
-  // about a generator.
-  int AddTestCaseInstantiation(const string& instantiation_name,
-                               GeneratorCreationFunc* func,
-                               const char* /* file */,
-                               int /* line */) {
-    instantiations_.push_back(::std::make_pair(instantiation_name, func));
-    return 0;  // Return value used only to run this method in namespace scope.
-  }
-  // UnitTest class invokes this method to register tests in this test case
-  // test cases right before running tests in RUN_ALL_TESTS macro.
-  // This method should not be called more then once on any single
-  // instance of a ParameterizedTestCaseInfoBase derived class.
-  // UnitTest has a guard to prevent from calling this method more then once.
-  virtual void RegisterTests() {
-    for (typename TestInfoContainer::iterator test_it = tests_.begin();
-         test_it != tests_.end(); ++test_it) {
-      linked_ptr<TestInfo> test_info = *test_it;
-      for (typename InstantiationContainer::iterator gen_it =
-               instantiations_.begin(); gen_it != instantiations_.end();
-               ++gen_it) {
-        const string& instantiation_name = gen_it->first;
-        ParamGenerator<ParamType> generator((*gen_it->second)());
-
-        string test_case_name;
-        if ( !instantiation_name.empty() )
-          test_case_name = instantiation_name + "/";
-        test_case_name += test_info->test_case_base_name;
-
-        int i = 0;
-        for (typename ParamGenerator<ParamType>::iterator param_it =
-                 generator.begin();
-             param_it != generator.end(); ++param_it, ++i) {
-          Message test_name_stream;
-          test_name_stream << test_info->test_base_name << "/" << i;
-          MakeAndRegisterTestInfo(
-              test_case_name.c_str(),
-              test_name_stream.GetString().c_str(),
-              NULL,  // No type parameter.
-              PrintToString(*param_it).c_str(),
-              GetTestCaseTypeId(),
-              TestCase::SetUpTestCase,
-              TestCase::TearDownTestCase,
-              test_info->test_meta_factory->CreateTestFactory(*param_it));
-        }  // for param_it
-      }  // for gen_it
-    }  // for test_it
-  }  // RegisterTests
-
- private:
-  // LocalTestInfo structure keeps information about a single test registered
-  // with TEST_P macro.
-  struct TestInfo {
-    TestInfo(const char* a_test_case_base_name,
-             const char* a_test_base_name,
-             TestMetaFactoryBase<ParamType>* a_test_meta_factory) :
-        test_case_base_name(a_test_case_base_name),
-        test_base_name(a_test_base_name),
-        test_meta_factory(a_test_meta_factory) {}
-
-    const string test_case_base_name;
-    const string test_base_name;
-    const scoped_ptr<TestMetaFactoryBase<ParamType> > test_meta_factory;
-  };
-  typedef ::std::vector<linked_ptr<TestInfo> > TestInfoContainer;
-  // Keeps pairs of <Instantiation name, Sequence generator creation function>
-  // received from INSTANTIATE_TEST_CASE_P macros.
-  typedef ::std::vector<std::pair<string, GeneratorCreationFunc*> >
-      InstantiationContainer;
-
-  const string test_case_name_;
-  TestInfoContainer tests_;
-  InstantiationContainer instantiations_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseInfo);
-};  // class ParameterizedTestCaseInfo
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// ParameterizedTestCaseRegistry contains a map of ParameterizedTestCaseInfoBase
-// classes accessed by test case names. TEST_P and INSTANTIATE_TEST_CASE_P
-// macros use it to locate their corresponding ParameterizedTestCaseInfo
-// descriptors.
-class ParameterizedTestCaseRegistry {
- public:
-  ParameterizedTestCaseRegistry() {}
-  ~ParameterizedTestCaseRegistry() {
-    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
-         it != test_case_infos_.end(); ++it) {
-      delete *it;
-    }
-  }
-
-  // Looks up or creates and returns a structure containing information about
-  // tests and instantiations of a particular test case.
-  template <class TestCase>
-  ParameterizedTestCaseInfo<TestCase>* GetTestCasePatternHolder(
-      const char* test_case_name,
-      const char* file,
-      int line) {
-    ParameterizedTestCaseInfo<TestCase>* typed_test_info = NULL;
-    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
-         it != test_case_infos_.end(); ++it) {
-      if ((*it)->GetTestCaseName() == test_case_name) {
-        if ((*it)->GetTestCaseTypeId() != GetTypeId<TestCase>()) {
-          // Complain about incorrect usage of Google Test facilities
-          // and terminate the program since we cannot guaranty correct
-          // test case setup and tear-down in this case.
-          ReportInvalidTestCaseType(test_case_name,  file, line);
-          posix::Abort();
-        } else {
-          // At this point we are sure that the object we found is of the same
-          // type we are looking for, so we downcast it to that type
-          // without further checks.
-          typed_test_info = CheckedDowncastToActualType<
-              ParameterizedTestCaseInfo<TestCase> >(*it);
-        }
-        break;
-      }
-    }
-    if (typed_test_info == NULL) {
-      typed_test_info = new ParameterizedTestCaseInfo<TestCase>(test_case_name);
-      test_case_infos_.push_back(typed_test_info);
-    }
-    return typed_test_info;
-  }
-  void RegisterTests() {
-    for (TestCaseInfoContainer::iterator it = test_case_infos_.begin();
-         it != test_case_infos_.end(); ++it) {
-      (*it)->RegisterTests();
-    }
-  }
-
- private:
-  typedef ::std::vector<ParameterizedTestCaseInfoBase*> TestCaseInfoContainer;
-
-  TestCaseInfoContainer test_case_infos_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(ParameterizedTestCaseRegistry);
-};
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  //  GTEST_HAS_PARAM_TEST
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_H_
-// This file was GENERATED by command:
-//     pump.py gtest-param-util-generated.h.pump
-// DO NOT EDIT BY HAND!!!
-
-// Copyright 2008 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: vladl@google.com (Vlad Losev)
-
-// Type and function utilities for implementing parameterized tests.
-// This file is generated by a SCRIPT.  DO NOT EDIT BY HAND!
-//
-// Currently Google Test supports at most 50 arguments in Values,
-// and at most 10 arguments in Combine. Please contact
-// googletestframework@googlegroups.com if you need more.
-// Please note that the number of arguments to Combine is limited
-// by the maximum arity of the implementation of tr1::tuple which is
-// currently set at 10.
-
-#ifndef GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
-#define GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
-
-// scripts/fuse_gtest.py depends on gtest's own header being #included
-// *unconditionally*.  Therefore these #includes cannot be moved
-// inside #if GTEST_HAS_PARAM_TEST.
-
-#if GTEST_HAS_PARAM_TEST
-
-namespace testing {
-
-// Forward declarations of ValuesIn(), which is implemented in
-// include/gtest/gtest-param-test.h.
-template <typename ForwardIterator>
-internal::ParamGenerator<
-  typename ::testing::internal::IteratorTraits<ForwardIterator>::value_type>
-ValuesIn(ForwardIterator begin, ForwardIterator end);
-
-template <typename T, size_t N>
-internal::ParamGenerator<T> ValuesIn(const T (&array)[N]);
-
-template <class Container>
-internal::ParamGenerator<typename Container::value_type> ValuesIn(
-    const Container& container);
-
-namespace internal {
-
-// Used in the Values() function to provide polymorphic capabilities.
-template <typename T1>
-class ValueArray1 {
- public:
-  explicit ValueArray1(T1 v1) : v1_(v1) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const { return ValuesIn(&v1_, &v1_ + 1); }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray1& other);
-
-  const T1 v1_;
-};
-
-template <typename T1, typename T2>
-class ValueArray2 {
- public:
-  ValueArray2(T1 v1, T2 v2) : v1_(v1), v2_(v2) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray2& other);
-
-  const T1 v1_;
-  const T2 v2_;
-};
-
-template <typename T1, typename T2, typename T3>
-class ValueArray3 {
- public:
-  ValueArray3(T1 v1, T2 v2, T3 v3) : v1_(v1), v2_(v2), v3_(v3) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray3& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4>
-class ValueArray4 {
- public:
-  ValueArray4(T1 v1, T2 v2, T3 v3, T4 v4) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray4& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-class ValueArray5 {
- public:
-  ValueArray5(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray5& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6>
-class ValueArray6 {
- public:
-  ValueArray6(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray6& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7>
-class ValueArray7 {
- public:
-  ValueArray7(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray7& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8>
-class ValueArray8 {
- public:
-  ValueArray8(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-      T8 v8) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray8& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9>
-class ValueArray9 {
- public:
-  ValueArray9(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
-      T9 v9) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray9& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10>
-class ValueArray10 {
- public:
-  ValueArray10(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray10& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11>
-class ValueArray11 {
- public:
-  ValueArray11(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
-      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray11& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12>
-class ValueArray12 {
- public:
-  ValueArray12(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
-      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray12& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13>
-class ValueArray13 {
- public:
-  ValueArray13(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
-      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
-      v12_(v12), v13_(v13) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray13& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14>
-class ValueArray14 {
- public:
-  ValueArray14(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray14& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15>
-class ValueArray15 {
- public:
-  ValueArray15(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray15& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16>
-class ValueArray16 {
- public:
-  ValueArray16(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
-      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
-      v16_(v16) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray16& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17>
-class ValueArray17 {
- public:
-  ValueArray17(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
-      T17 v17) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray17& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18>
-class ValueArray18 {
- public:
-  ValueArray18(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray18& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19>
-class ValueArray19 {
- public:
-  ValueArray19(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
-      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
-      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray19& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20>
-class ValueArray20 {
- public:
-  ValueArray20(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
-      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
-      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
-      v19_(v19), v20_(v20) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray20& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21>
-class ValueArray21 {
- public:
-  ValueArray21(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
-      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
-      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
-      v18_(v18), v19_(v19), v20_(v20), v21_(v21) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray21& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22>
-class ValueArray22 {
- public:
-  ValueArray22(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray22& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23>
-class ValueArray23 {
- public:
-  ValueArray23(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray23& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24>
-class ValueArray24 {
- public:
-  ValueArray24(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
-      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
-      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
-      v22_(v22), v23_(v23), v24_(v24) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray24& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25>
-class ValueArray25 {
- public:
-  ValueArray25(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
-      T25 v25) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray25& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26>
-class ValueArray26 {
- public:
-  ValueArray26(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray26& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27>
-class ValueArray27 {
- public:
-  ValueArray27(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
-      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
-      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
-      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
-      v26_(v26), v27_(v27) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray27& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28>
-class ValueArray28 {
- public:
-  ValueArray28(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
-      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
-      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
-      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
-      v25_(v25), v26_(v26), v27_(v27), v28_(v28) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray28& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29>
-class ValueArray29 {
- public:
-  ValueArray29(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
-      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
-      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
-      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
-      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray29& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30>
-class ValueArray30 {
- public:
-  ValueArray30(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray30& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31>
-class ValueArray31 {
- public:
-  ValueArray31(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30), v31_(v31) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray31& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32>
-class ValueArray32 {
- public:
-  ValueArray32(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
-      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
-      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
-      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
-      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray32& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33>
-class ValueArray33 {
- public:
-  ValueArray33(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32,
-      T33 v33) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray33& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34>
-class ValueArray34 {
- public:
-  ValueArray34(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33), v34_(v34) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray34& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35>
-class ValueArray35 {
- public:
-  ValueArray35(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
-      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
-      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
-      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
-      v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31),
-      v32_(v32), v33_(v33), v34_(v34), v35_(v35) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray35& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36>
-class ValueArray36 {
- public:
-  ValueArray36(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
-      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
-      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
-      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
-      v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30),
-      v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray36& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37>
-class ValueArray37 {
- public:
-  ValueArray37(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
-      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
-      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
-      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
-      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29),
-      v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35),
-      v36_(v36), v37_(v37) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray37& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38>
-class ValueArray38 {
- public:
-  ValueArray38(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
-      v35_(v35), v36_(v36), v37_(v37), v38_(v38) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray38& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39>
-class ValueArray39 {
- public:
-  ValueArray39(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
-      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray39& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40>
-class ValueArray40 {
- public:
-  ValueArray40(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
-      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
-      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
-      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
-      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33),
-      v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39),
-      v40_(v40) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray40& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41>
-class ValueArray41 {
- public:
-  ValueArray41(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40,
-      T41 v41) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
-      v39_(v39), v40_(v40), v41_(v41) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray41& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42>
-class ValueArray42 {
- public:
-  ValueArray42(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
-      v39_(v39), v40_(v40), v41_(v41), v42_(v42) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray42& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43>
-class ValueArray43 {
- public:
-  ValueArray43(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6),
-      v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13),
-      v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19),
-      v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25),
-      v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31),
-      v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37),
-      v38_(v38), v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray43& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44>
-class ValueArray44 {
- public:
-  ValueArray44(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5),
-      v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12),
-      v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17), v18_(v18),
-      v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23), v24_(v24),
-      v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29), v30_(v30),
-      v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35), v36_(v36),
-      v37_(v37), v38_(v38), v39_(v39), v40_(v40), v41_(v41), v42_(v42),
-      v43_(v43), v44_(v44) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray44& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45>
-class ValueArray45 {
- public:
-  ValueArray45(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45) : v1_(v1), v2_(v2), v3_(v3), v4_(v4),
-      v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10), v11_(v11),
-      v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16), v17_(v17),
-      v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22), v23_(v23),
-      v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28), v29_(v29),
-      v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34), v35_(v35),
-      v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40), v41_(v41),
-      v42_(v42), v43_(v43), v44_(v44), v45_(v45) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray45& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46>
-class ValueArray46 {
- public:
-  ValueArray46(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46) : v1_(v1), v2_(v2), v3_(v3),
-      v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
-      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40),
-      v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45), v46_(v46) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_), static_cast<T>(v46_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray46& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-  const T46 v46_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47>
-class ValueArray47 {
- public:
-  ValueArray47(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47) : v1_(v1), v2_(v2),
-      v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9), v10_(v10),
-      v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15), v16_(v16),
-      v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21), v22_(v22),
-      v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27), v28_(v28),
-      v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33), v34_(v34),
-      v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39), v40_(v40),
-      v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45), v46_(v46),
-      v47_(v47) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray47& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-  const T46 v46_;
-  const T47 v47_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48>
-class ValueArray48 {
- public:
-  ValueArray48(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48) : v1_(v1),
-      v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7), v8_(v8), v9_(v9),
-      v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14), v15_(v15),
-      v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20), v21_(v21),
-      v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26), v27_(v27),
-      v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32), v33_(v33),
-      v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38), v39_(v39),
-      v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44), v45_(v45),
-      v46_(v46), v47_(v47), v48_(v48) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
-        static_cast<T>(v48_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray48& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-  const T46 v46_;
-  const T47 v47_;
-  const T48 v48_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49>
-class ValueArray49 {
- public:
-  ValueArray49(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48,
-      T49 v49) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
-      v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44),
-      v45_(v45), v46_(v46), v47_(v47), v48_(v48), v49_(v49) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
-        static_cast<T>(v48_), static_cast<T>(v49_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray49& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-  const T46 v46_;
-  const T47 v47_;
-  const T48 v48_;
-  const T49 v49_;
-};
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49, typename T50>
-class ValueArray50 {
- public:
-  ValueArray50(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-      T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-      T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-      T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-      T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-      T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47, T48 v48, T49 v49,
-      T50 v50) : v1_(v1), v2_(v2), v3_(v3), v4_(v4), v5_(v5), v6_(v6), v7_(v7),
-      v8_(v8), v9_(v9), v10_(v10), v11_(v11), v12_(v12), v13_(v13), v14_(v14),
-      v15_(v15), v16_(v16), v17_(v17), v18_(v18), v19_(v19), v20_(v20),
-      v21_(v21), v22_(v22), v23_(v23), v24_(v24), v25_(v25), v26_(v26),
-      v27_(v27), v28_(v28), v29_(v29), v30_(v30), v31_(v31), v32_(v32),
-      v33_(v33), v34_(v34), v35_(v35), v36_(v36), v37_(v37), v38_(v38),
-      v39_(v39), v40_(v40), v41_(v41), v42_(v42), v43_(v43), v44_(v44),
-      v45_(v45), v46_(v46), v47_(v47), v48_(v48), v49_(v49), v50_(v50) {}
-
-  template <typename T>
-  operator ParamGenerator<T>() const {
-    const T array[] = {static_cast<T>(v1_), static_cast<T>(v2_),
-        static_cast<T>(v3_), static_cast<T>(v4_), static_cast<T>(v5_),
-        static_cast<T>(v6_), static_cast<T>(v7_), static_cast<T>(v8_),
-        static_cast<T>(v9_), static_cast<T>(v10_), static_cast<T>(v11_),
-        static_cast<T>(v12_), static_cast<T>(v13_), static_cast<T>(v14_),
-        static_cast<T>(v15_), static_cast<T>(v16_), static_cast<T>(v17_),
-        static_cast<T>(v18_), static_cast<T>(v19_), static_cast<T>(v20_),
-        static_cast<T>(v21_), static_cast<T>(v22_), static_cast<T>(v23_),
-        static_cast<T>(v24_), static_cast<T>(v25_), static_cast<T>(v26_),
-        static_cast<T>(v27_), static_cast<T>(v28_), static_cast<T>(v29_),
-        static_cast<T>(v30_), static_cast<T>(v31_), static_cast<T>(v32_),
-        static_cast<T>(v33_), static_cast<T>(v34_), static_cast<T>(v35_),
-        static_cast<T>(v36_), static_cast<T>(v37_), static_cast<T>(v38_),
-        static_cast<T>(v39_), static_cast<T>(v40_), static_cast<T>(v41_),
-        static_cast<T>(v42_), static_cast<T>(v43_), static_cast<T>(v44_),
-        static_cast<T>(v45_), static_cast<T>(v46_), static_cast<T>(v47_),
-        static_cast<T>(v48_), static_cast<T>(v49_), static_cast<T>(v50_)};
-    return ValuesIn(array);
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const ValueArray50& other);
-
-  const T1 v1_;
-  const T2 v2_;
-  const T3 v3_;
-  const T4 v4_;
-  const T5 v5_;
-  const T6 v6_;
-  const T7 v7_;
-  const T8 v8_;
-  const T9 v9_;
-  const T10 v10_;
-  const T11 v11_;
-  const T12 v12_;
-  const T13 v13_;
-  const T14 v14_;
-  const T15 v15_;
-  const T16 v16_;
-  const T17 v17_;
-  const T18 v18_;
-  const T19 v19_;
-  const T20 v20_;
-  const T21 v21_;
-  const T22 v22_;
-  const T23 v23_;
-  const T24 v24_;
-  const T25 v25_;
-  const T26 v26_;
-  const T27 v27_;
-  const T28 v28_;
-  const T29 v29_;
-  const T30 v30_;
-  const T31 v31_;
-  const T32 v32_;
-  const T33 v33_;
-  const T34 v34_;
-  const T35 v35_;
-  const T36 v36_;
-  const T37 v37_;
-  const T38 v38_;
-  const T39 v39_;
-  const T40 v40_;
-  const T41 v41_;
-  const T42 v42_;
-  const T43 v43_;
-  const T44 v44_;
-  const T45 v45_;
-  const T46 v46_;
-  const T47 v47_;
-  const T48 v48_;
-  const T49 v49_;
-  const T50 v50_;
-};
-
-# if GTEST_HAS_COMBINE
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Generates values from the Cartesian product of values produced
-// by the argument generators.
-//
-template <typename T1, typename T2>
-class CartesianProductGenerator2
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2> ParamType;
-
-  CartesianProductGenerator2(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2)
-      : g1_(g1), g2_(g2) {}
-  virtual ~CartesianProductGenerator2() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current2_;
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator2::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator2& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-};  // class CartesianProductGenerator2
-
-
-template <typename T1, typename T2, typename T3>
-class CartesianProductGenerator3
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3> ParamType;
-
-  CartesianProductGenerator3(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3)
-      : g1_(g1), g2_(g2), g3_(g3) {}
-  virtual ~CartesianProductGenerator3() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current3_;
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator3::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator3& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-};  // class CartesianProductGenerator3
-
-
-template <typename T1, typename T2, typename T3, typename T4>
-class CartesianProductGenerator4
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4> ParamType;
-
-  CartesianProductGenerator4(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4) {}
-  virtual ~CartesianProductGenerator4() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current4_;
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator4::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator4& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-};  // class CartesianProductGenerator4
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-class CartesianProductGenerator5
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5> ParamType;
-
-  CartesianProductGenerator5(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5) {}
-  virtual ~CartesianProductGenerator5() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current5_;
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator5::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator5& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-};  // class CartesianProductGenerator5
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6>
-class CartesianProductGenerator6
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5,
-        T6> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> ParamType;
-
-  CartesianProductGenerator6(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
-      const ParamGenerator<T6>& g6)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6) {}
-  virtual ~CartesianProductGenerator6() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5,
-      const ParamGenerator<T6>& g6,
-      const typename ParamGenerator<T6>::iterator& current6)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
-          begin6_(g6.begin()), end6_(g6.end()), current6_(current6)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current6_;
-      if (current6_ == end6_) {
-        current6_ = begin6_;
-        ++current5_;
-      }
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_ &&
-          current6_ == typed_other->current6_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_),
-        begin6_(other.begin6_),
-        end6_(other.end6_),
-        current6_(other.current6_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_, *current6_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_ ||
-          current6_ == end6_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    const typename ParamGenerator<T6>::iterator begin6_;
-    const typename ParamGenerator<T6>::iterator end6_;
-    typename ParamGenerator<T6>::iterator current6_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator6::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator6& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-  const ParamGenerator<T6> g6_;
-};  // class CartesianProductGenerator6
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7>
-class CartesianProductGenerator7
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
-        T7> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7> ParamType;
-
-  CartesianProductGenerator7(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
-      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7) {}
-  virtual ~CartesianProductGenerator7() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
-        g7_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5,
-      const ParamGenerator<T6>& g6,
-      const typename ParamGenerator<T6>::iterator& current6,
-      const ParamGenerator<T7>& g7,
-      const typename ParamGenerator<T7>::iterator& current7)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
-          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
-          begin7_(g7.begin()), end7_(g7.end()), current7_(current7)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current7_;
-      if (current7_ == end7_) {
-        current7_ = begin7_;
-        ++current6_;
-      }
-      if (current6_ == end6_) {
-        current6_ = begin6_;
-        ++current5_;
-      }
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_ &&
-          current6_ == typed_other->current6_ &&
-          current7_ == typed_other->current7_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_),
-        begin6_(other.begin6_),
-        end6_(other.end6_),
-        current6_(other.current6_),
-        begin7_(other.begin7_),
-        end7_(other.end7_),
-        current7_(other.current7_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_, *current6_, *current7_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_ ||
-          current6_ == end6_ ||
-          current7_ == end7_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    const typename ParamGenerator<T6>::iterator begin6_;
-    const typename ParamGenerator<T6>::iterator end6_;
-    typename ParamGenerator<T6>::iterator current6_;
-    const typename ParamGenerator<T7>::iterator begin7_;
-    const typename ParamGenerator<T7>::iterator end7_;
-    typename ParamGenerator<T7>::iterator current7_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator7::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator7& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-  const ParamGenerator<T6> g6_;
-  const ParamGenerator<T7> g7_;
-};  // class CartesianProductGenerator7
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8>
-class CartesianProductGenerator8
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
-        T7, T8> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8> ParamType;
-
-  CartesianProductGenerator8(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
-      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
-      const ParamGenerator<T8>& g8)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7),
-          g8_(g8) {}
-  virtual ~CartesianProductGenerator8() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
-        g7_.begin(), g8_, g8_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
-        g8_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5,
-      const ParamGenerator<T6>& g6,
-      const typename ParamGenerator<T6>::iterator& current6,
-      const ParamGenerator<T7>& g7,
-      const typename ParamGenerator<T7>::iterator& current7,
-      const ParamGenerator<T8>& g8,
-      const typename ParamGenerator<T8>::iterator& current8)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
-          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
-          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
-          begin8_(g8.begin()), end8_(g8.end()), current8_(current8)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current8_;
-      if (current8_ == end8_) {
-        current8_ = begin8_;
-        ++current7_;
-      }
-      if (current7_ == end7_) {
-        current7_ = begin7_;
-        ++current6_;
-      }
-      if (current6_ == end6_) {
-        current6_ = begin6_;
-        ++current5_;
-      }
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_ &&
-          current6_ == typed_other->current6_ &&
-          current7_ == typed_other->current7_ &&
-          current8_ == typed_other->current8_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_),
-        begin6_(other.begin6_),
-        end6_(other.end6_),
-        current6_(other.current6_),
-        begin7_(other.begin7_),
-        end7_(other.end7_),
-        current7_(other.current7_),
-        begin8_(other.begin8_),
-        end8_(other.end8_),
-        current8_(other.current8_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_, *current6_, *current7_, *current8_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_ ||
-          current6_ == end6_ ||
-          current7_ == end7_ ||
-          current8_ == end8_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    const typename ParamGenerator<T6>::iterator begin6_;
-    const typename ParamGenerator<T6>::iterator end6_;
-    typename ParamGenerator<T6>::iterator current6_;
-    const typename ParamGenerator<T7>::iterator begin7_;
-    const typename ParamGenerator<T7>::iterator end7_;
-    typename ParamGenerator<T7>::iterator current7_;
-    const typename ParamGenerator<T8>::iterator begin8_;
-    const typename ParamGenerator<T8>::iterator end8_;
-    typename ParamGenerator<T8>::iterator current8_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator8::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator8& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-  const ParamGenerator<T6> g6_;
-  const ParamGenerator<T7> g7_;
-  const ParamGenerator<T8> g8_;
-};  // class CartesianProductGenerator8
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9>
-class CartesianProductGenerator9
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
-        T7, T8, T9> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9> ParamType;
-
-  CartesianProductGenerator9(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
-      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
-      const ParamGenerator<T8>& g8, const ParamGenerator<T9>& g9)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
-          g9_(g9) {}
-  virtual ~CartesianProductGenerator9() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
-        g7_.begin(), g8_, g8_.begin(), g9_, g9_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
-        g8_.end(), g9_, g9_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5,
-      const ParamGenerator<T6>& g6,
-      const typename ParamGenerator<T6>::iterator& current6,
-      const ParamGenerator<T7>& g7,
-      const typename ParamGenerator<T7>::iterator& current7,
-      const ParamGenerator<T8>& g8,
-      const typename ParamGenerator<T8>::iterator& current8,
-      const ParamGenerator<T9>& g9,
-      const typename ParamGenerator<T9>::iterator& current9)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
-          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
-          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
-          begin8_(g8.begin()), end8_(g8.end()), current8_(current8),
-          begin9_(g9.begin()), end9_(g9.end()), current9_(current9)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current9_;
-      if (current9_ == end9_) {
-        current9_ = begin9_;
-        ++current8_;
-      }
-      if (current8_ == end8_) {
-        current8_ = begin8_;
-        ++current7_;
-      }
-      if (current7_ == end7_) {
-        current7_ = begin7_;
-        ++current6_;
-      }
-      if (current6_ == end6_) {
-        current6_ = begin6_;
-        ++current5_;
-      }
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_ &&
-          current6_ == typed_other->current6_ &&
-          current7_ == typed_other->current7_ &&
-          current8_ == typed_other->current8_ &&
-          current9_ == typed_other->current9_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_),
-        begin6_(other.begin6_),
-        end6_(other.end6_),
-        current6_(other.current6_),
-        begin7_(other.begin7_),
-        end7_(other.end7_),
-        current7_(other.current7_),
-        begin8_(other.begin8_),
-        end8_(other.end8_),
-        current8_(other.current8_),
-        begin9_(other.begin9_),
-        end9_(other.end9_),
-        current9_(other.current9_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_, *current6_, *current7_, *current8_,
-            *current9_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_ ||
-          current6_ == end6_ ||
-          current7_ == end7_ ||
-          current8_ == end8_ ||
-          current9_ == end9_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    const typename ParamGenerator<T6>::iterator begin6_;
-    const typename ParamGenerator<T6>::iterator end6_;
-    typename ParamGenerator<T6>::iterator current6_;
-    const typename ParamGenerator<T7>::iterator begin7_;
-    const typename ParamGenerator<T7>::iterator end7_;
-    typename ParamGenerator<T7>::iterator current7_;
-    const typename ParamGenerator<T8>::iterator begin8_;
-    const typename ParamGenerator<T8>::iterator end8_;
-    typename ParamGenerator<T8>::iterator current8_;
-    const typename ParamGenerator<T9>::iterator begin9_;
-    const typename ParamGenerator<T9>::iterator end9_;
-    typename ParamGenerator<T9>::iterator current9_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator9::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator9& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-  const ParamGenerator<T6> g6_;
-  const ParamGenerator<T7> g7_;
-  const ParamGenerator<T8> g8_;
-  const ParamGenerator<T9> g9_;
-};  // class CartesianProductGenerator9
-
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10>
-class CartesianProductGenerator10
-    : public ParamGeneratorInterface< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
-        T7, T8, T9, T10> > {
- public:
-  typedef ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> ParamType;
-
-  CartesianProductGenerator10(const ParamGenerator<T1>& g1,
-      const ParamGenerator<T2>& g2, const ParamGenerator<T3>& g3,
-      const ParamGenerator<T4>& g4, const ParamGenerator<T5>& g5,
-      const ParamGenerator<T6>& g6, const ParamGenerator<T7>& g7,
-      const ParamGenerator<T8>& g8, const ParamGenerator<T9>& g9,
-      const ParamGenerator<T10>& g10)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
-          g9_(g9), g10_(g10) {}
-  virtual ~CartesianProductGenerator10() {}
-
-  virtual ParamIteratorInterface<ParamType>* Begin() const {
-    return new Iterator(this, g1_, g1_.begin(), g2_, g2_.begin(), g3_,
-        g3_.begin(), g4_, g4_.begin(), g5_, g5_.begin(), g6_, g6_.begin(), g7_,
-        g7_.begin(), g8_, g8_.begin(), g9_, g9_.begin(), g10_, g10_.begin());
-  }
-  virtual ParamIteratorInterface<ParamType>* End() const {
-    return new Iterator(this, g1_, g1_.end(), g2_, g2_.end(), g3_, g3_.end(),
-        g4_, g4_.end(), g5_, g5_.end(), g6_, g6_.end(), g7_, g7_.end(), g8_,
-        g8_.end(), g9_, g9_.end(), g10_, g10_.end());
-  }
-
- private:
-  class Iterator : public ParamIteratorInterface<ParamType> {
-   public:
-    Iterator(const ParamGeneratorInterface<ParamType>* base,
-      const ParamGenerator<T1>& g1,
-      const typename ParamGenerator<T1>::iterator& current1,
-      const ParamGenerator<T2>& g2,
-      const typename ParamGenerator<T2>::iterator& current2,
-      const ParamGenerator<T3>& g3,
-      const typename ParamGenerator<T3>::iterator& current3,
-      const ParamGenerator<T4>& g4,
-      const typename ParamGenerator<T4>::iterator& current4,
-      const ParamGenerator<T5>& g5,
-      const typename ParamGenerator<T5>::iterator& current5,
-      const ParamGenerator<T6>& g6,
-      const typename ParamGenerator<T6>::iterator& current6,
-      const ParamGenerator<T7>& g7,
-      const typename ParamGenerator<T7>::iterator& current7,
-      const ParamGenerator<T8>& g8,
-      const typename ParamGenerator<T8>::iterator& current8,
-      const ParamGenerator<T9>& g9,
-      const typename ParamGenerator<T9>::iterator& current9,
-      const ParamGenerator<T10>& g10,
-      const typename ParamGenerator<T10>::iterator& current10)
-        : base_(base),
-          begin1_(g1.begin()), end1_(g1.end()), current1_(current1),
-          begin2_(g2.begin()), end2_(g2.end()), current2_(current2),
-          begin3_(g3.begin()), end3_(g3.end()), current3_(current3),
-          begin4_(g4.begin()), end4_(g4.end()), current4_(current4),
-          begin5_(g5.begin()), end5_(g5.end()), current5_(current5),
-          begin6_(g6.begin()), end6_(g6.end()), current6_(current6),
-          begin7_(g7.begin()), end7_(g7.end()), current7_(current7),
-          begin8_(g8.begin()), end8_(g8.end()), current8_(current8),
-          begin9_(g9.begin()), end9_(g9.end()), current9_(current9),
-          begin10_(g10.begin()), end10_(g10.end()), current10_(current10)    {
-      ComputeCurrentValue();
-    }
-    virtual ~Iterator() {}
-
-    virtual const ParamGeneratorInterface<ParamType>* BaseGenerator() const {
-      return base_;
-    }
-    // Advance should not be called on beyond-of-range iterators
-    // so no component iterators must be beyond end of range, either.
-    virtual void Advance() {
-      assert(!AtEnd());
-      ++current10_;
-      if (current10_ == end10_) {
-        current10_ = begin10_;
-        ++current9_;
-      }
-      if (current9_ == end9_) {
-        current9_ = begin9_;
-        ++current8_;
-      }
-      if (current8_ == end8_) {
-        current8_ = begin8_;
-        ++current7_;
-      }
-      if (current7_ == end7_) {
-        current7_ = begin7_;
-        ++current6_;
-      }
-      if (current6_ == end6_) {
-        current6_ = begin6_;
-        ++current5_;
-      }
-      if (current5_ == end5_) {
-        current5_ = begin5_;
-        ++current4_;
-      }
-      if (current4_ == end4_) {
-        current4_ = begin4_;
-        ++current3_;
-      }
-      if (current3_ == end3_) {
-        current3_ = begin3_;
-        ++current2_;
-      }
-      if (current2_ == end2_) {
-        current2_ = begin2_;
-        ++current1_;
-      }
-      ComputeCurrentValue();
-    }
-    virtual ParamIteratorInterface<ParamType>* Clone() const {
-      return new Iterator(*this);
-    }
-    virtual const ParamType* Current() const { return &current_value_; }
-    virtual bool Equals(const ParamIteratorInterface<ParamType>& other) const {
-      // Having the same base generator guarantees that the other
-      // iterator is of the same type and we can downcast.
-      GTEST_CHECK_(BaseGenerator() == other.BaseGenerator())
-          << "The program attempted to compare iterators "
-          << "from different generators." << std::endl;
-      const Iterator* typed_other =
-          CheckedDowncastToActualType<const Iterator>(&other);
-      // We must report iterators equal if they both point beyond their
-      // respective ranges. That can happen in a variety of fashions,
-      // so we have to consult AtEnd().
-      return (AtEnd() && typed_other->AtEnd()) ||
-         (
-          current1_ == typed_other->current1_ &&
-          current2_ == typed_other->current2_ &&
-          current3_ == typed_other->current3_ &&
-          current4_ == typed_other->current4_ &&
-          current5_ == typed_other->current5_ &&
-          current6_ == typed_other->current6_ &&
-          current7_ == typed_other->current7_ &&
-          current8_ == typed_other->current8_ &&
-          current9_ == typed_other->current9_ &&
-          current10_ == typed_other->current10_);
-    }
-
-   private:
-    Iterator(const Iterator& other)
-        : base_(other.base_),
-        begin1_(other.begin1_),
-        end1_(other.end1_),
-        current1_(other.current1_),
-        begin2_(other.begin2_),
-        end2_(other.end2_),
-        current2_(other.current2_),
-        begin3_(other.begin3_),
-        end3_(other.end3_),
-        current3_(other.current3_),
-        begin4_(other.begin4_),
-        end4_(other.end4_),
-        current4_(other.current4_),
-        begin5_(other.begin5_),
-        end5_(other.end5_),
-        current5_(other.current5_),
-        begin6_(other.begin6_),
-        end6_(other.end6_),
-        current6_(other.current6_),
-        begin7_(other.begin7_),
-        end7_(other.end7_),
-        current7_(other.current7_),
-        begin8_(other.begin8_),
-        end8_(other.end8_),
-        current8_(other.current8_),
-        begin9_(other.begin9_),
-        end9_(other.end9_),
-        current9_(other.current9_),
-        begin10_(other.begin10_),
-        end10_(other.end10_),
-        current10_(other.current10_) {
-      ComputeCurrentValue();
-    }
-
-    void ComputeCurrentValue() {
-      if (!AtEnd())
-        current_value_ = ParamType(*current1_, *current2_, *current3_,
-            *current4_, *current5_, *current6_, *current7_, *current8_,
-            *current9_, *current10_);
-    }
-    bool AtEnd() const {
-      // We must report iterator past the end of the range when either of the
-      // component iterators has reached the end of its range.
-      return
-          current1_ == end1_ ||
-          current2_ == end2_ ||
-          current3_ == end3_ ||
-          current4_ == end4_ ||
-          current5_ == end5_ ||
-          current6_ == end6_ ||
-          current7_ == end7_ ||
-          current8_ == end8_ ||
-          current9_ == end9_ ||
-          current10_ == end10_;
-    }
-
-    // No implementation - assignment is unsupported.
-    void operator=(const Iterator& other);
-
-    const ParamGeneratorInterface<ParamType>* const base_;
-    // begin[i]_ and end[i]_ define the i-th range that Iterator traverses.
-    // current[i]_ is the actual traversing iterator.
-    const typename ParamGenerator<T1>::iterator begin1_;
-    const typename ParamGenerator<T1>::iterator end1_;
-    typename ParamGenerator<T1>::iterator current1_;
-    const typename ParamGenerator<T2>::iterator begin2_;
-    const typename ParamGenerator<T2>::iterator end2_;
-    typename ParamGenerator<T2>::iterator current2_;
-    const typename ParamGenerator<T3>::iterator begin3_;
-    const typename ParamGenerator<T3>::iterator end3_;
-    typename ParamGenerator<T3>::iterator current3_;
-    const typename ParamGenerator<T4>::iterator begin4_;
-    const typename ParamGenerator<T4>::iterator end4_;
-    typename ParamGenerator<T4>::iterator current4_;
-    const typename ParamGenerator<T5>::iterator begin5_;
-    const typename ParamGenerator<T5>::iterator end5_;
-    typename ParamGenerator<T5>::iterator current5_;
-    const typename ParamGenerator<T6>::iterator begin6_;
-    const typename ParamGenerator<T6>::iterator end6_;
-    typename ParamGenerator<T6>::iterator current6_;
-    const typename ParamGenerator<T7>::iterator begin7_;
-    const typename ParamGenerator<T7>::iterator end7_;
-    typename ParamGenerator<T7>::iterator current7_;
-    const typename ParamGenerator<T8>::iterator begin8_;
-    const typename ParamGenerator<T8>::iterator end8_;
-    typename ParamGenerator<T8>::iterator current8_;
-    const typename ParamGenerator<T9>::iterator begin9_;
-    const typename ParamGenerator<T9>::iterator end9_;
-    typename ParamGenerator<T9>::iterator current9_;
-    const typename ParamGenerator<T10>::iterator begin10_;
-    const typename ParamGenerator<T10>::iterator end10_;
-    typename ParamGenerator<T10>::iterator current10_;
-    ParamType current_value_;
-  };  // class CartesianProductGenerator10::Iterator
-
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductGenerator10& other);
-
-  const ParamGenerator<T1> g1_;
-  const ParamGenerator<T2> g2_;
-  const ParamGenerator<T3> g3_;
-  const ParamGenerator<T4> g4_;
-  const ParamGenerator<T5> g5_;
-  const ParamGenerator<T6> g6_;
-  const ParamGenerator<T7> g7_;
-  const ParamGenerator<T8> g8_;
-  const ParamGenerator<T9> g9_;
-  const ParamGenerator<T10> g10_;
-};  // class CartesianProductGenerator10
-
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Helper classes providing Combine() with polymorphic features. They allow
-// casting CartesianProductGeneratorN<T> to ParamGenerator<U> if T is
-// convertible to U.
-//
-template <class Generator1, class Generator2>
-class CartesianProductHolder2 {
- public:
-CartesianProductHolder2(const Generator1& g1, const Generator2& g2)
-      : g1_(g1), g2_(g2) {}
-  template <typename T1, typename T2>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2> >(
-        new CartesianProductGenerator2<T1, T2>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder2& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-};  // class CartesianProductHolder2
-
-template <class Generator1, class Generator2, class Generator3>
-class CartesianProductHolder3 {
- public:
-CartesianProductHolder3(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3)
-      : g1_(g1), g2_(g2), g3_(g3) {}
-  template <typename T1, typename T2, typename T3>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3> >(
-        new CartesianProductGenerator3<T1, T2, T3>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder3& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-};  // class CartesianProductHolder3
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4>
-class CartesianProductHolder4 {
- public:
-CartesianProductHolder4(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4) {}
-  template <typename T1, typename T2, typename T3, typename T4>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4> >(
-        new CartesianProductGenerator4<T1, T2, T3, T4>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder4& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-};  // class CartesianProductHolder4
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5>
-class CartesianProductHolder5 {
- public:
-CartesianProductHolder5(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5> >(
-        new CartesianProductGenerator5<T1, T2, T3, T4, T5>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder5& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-};  // class CartesianProductHolder5
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5, class Generator6>
-class CartesianProductHolder6 {
- public:
-CartesianProductHolder6(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5,
-    const Generator6& g6)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5,
-      typename T6>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6> >(
-        new CartesianProductGenerator6<T1, T2, T3, T4, T5, T6>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_),
-        static_cast<ParamGenerator<T6> >(g6_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder6& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-  const Generator6 g6_;
-};  // class CartesianProductHolder6
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5, class Generator6, class Generator7>
-class CartesianProductHolder7 {
- public:
-CartesianProductHolder7(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5,
-    const Generator6& g6, const Generator7& g7)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5,
-      typename T6, typename T7>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6,
-      T7> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7> >(
-        new CartesianProductGenerator7<T1, T2, T3, T4, T5, T6, T7>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_),
-        static_cast<ParamGenerator<T6> >(g6_),
-        static_cast<ParamGenerator<T7> >(g7_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder7& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-  const Generator6 g6_;
-  const Generator7 g7_;
-};  // class CartesianProductHolder7
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5, class Generator6, class Generator7,
-    class Generator8>
-class CartesianProductHolder8 {
- public:
-CartesianProductHolder8(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5,
-    const Generator6& g6, const Generator7& g7, const Generator8& g8)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7),
-          g8_(g8) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5,
-      typename T6, typename T7, typename T8>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7,
-      T8> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8> >(
-        new CartesianProductGenerator8<T1, T2, T3, T4, T5, T6, T7, T8>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_),
-        static_cast<ParamGenerator<T6> >(g6_),
-        static_cast<ParamGenerator<T7> >(g7_),
-        static_cast<ParamGenerator<T8> >(g8_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder8& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-  const Generator6 g6_;
-  const Generator7 g7_;
-  const Generator8 g8_;
-};  // class CartesianProductHolder8
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5, class Generator6, class Generator7,
-    class Generator8, class Generator9>
-class CartesianProductHolder9 {
- public:
-CartesianProductHolder9(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5,
-    const Generator6& g6, const Generator7& g7, const Generator8& g8,
-    const Generator9& g9)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
-          g9_(g9) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5,
-      typename T6, typename T7, typename T8, typename T9>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
-      T9> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
-        T9> >(
-        new CartesianProductGenerator9<T1, T2, T3, T4, T5, T6, T7, T8, T9>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_),
-        static_cast<ParamGenerator<T6> >(g6_),
-        static_cast<ParamGenerator<T7> >(g7_),
-        static_cast<ParamGenerator<T8> >(g8_),
-        static_cast<ParamGenerator<T9> >(g9_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder9& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-  const Generator6 g6_;
-  const Generator7 g7_;
-  const Generator8 g8_;
-  const Generator9 g9_;
-};  // class CartesianProductHolder9
-
-template <class Generator1, class Generator2, class Generator3,
-    class Generator4, class Generator5, class Generator6, class Generator7,
-    class Generator8, class Generator9, class Generator10>
-class CartesianProductHolder10 {
- public:
-CartesianProductHolder10(const Generator1& g1, const Generator2& g2,
-    const Generator3& g3, const Generator4& g4, const Generator5& g5,
-    const Generator6& g6, const Generator7& g7, const Generator8& g8,
-    const Generator9& g9, const Generator10& g10)
-      : g1_(g1), g2_(g2), g3_(g3), g4_(g4), g5_(g5), g6_(g6), g7_(g7), g8_(g8),
-          g9_(g9), g10_(g10) {}
-  template <typename T1, typename T2, typename T3, typename T4, typename T5,
-      typename T6, typename T7, typename T8, typename T9, typename T10>
-  operator ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
-      T9, T10> >() const {
-    return ParamGenerator< ::std::tr1::tuple<T1, T2, T3, T4, T5, T6, T7, T8,
-        T9, T10> >(
-        new CartesianProductGenerator10<T1, T2, T3, T4, T5, T6, T7, T8, T9,
-            T10>(
-        static_cast<ParamGenerator<T1> >(g1_),
-        static_cast<ParamGenerator<T2> >(g2_),
-        static_cast<ParamGenerator<T3> >(g3_),
-        static_cast<ParamGenerator<T4> >(g4_),
-        static_cast<ParamGenerator<T5> >(g5_),
-        static_cast<ParamGenerator<T6> >(g6_),
-        static_cast<ParamGenerator<T7> >(g7_),
-        static_cast<ParamGenerator<T8> >(g8_),
-        static_cast<ParamGenerator<T9> >(g9_),
-        static_cast<ParamGenerator<T10> >(g10_)));
-  }
-
- private:
-  // No implementation - assignment is unsupported.
-  void operator=(const CartesianProductHolder10& other);
-
-  const Generator1 g1_;
-  const Generator2 g2_;
-  const Generator3 g3_;
-  const Generator4 g4_;
-  const Generator5 g5_;
-  const Generator6 g6_;
-  const Generator7 g7_;
-  const Generator8 g8_;
-  const Generator9 g9_;
-  const Generator10 g10_;
-};  // class CartesianProductHolder10
-
-# endif  // GTEST_HAS_COMBINE
-
-}  // namespace internal
-}  // namespace testing
-
-#endif  //  GTEST_HAS_PARAM_TEST
-
-#endif  // GTEST_INCLUDE_GTEST_INTERNAL_GTEST_PARAM_UTIL_GENERATED_H_
-
-#if GTEST_HAS_PARAM_TEST
-
-namespace testing {
-
-// Functions producing parameter generators.
-//
-// Google Test uses these generators to produce parameters for value-
-// parameterized tests. When a parameterized test case is instantiated
-// with a particular generator, Google Test creates and runs tests
-// for each element in the sequence produced by the generator.
-//
-// In the following sample, tests from test case FooTest are instantiated
-// each three times with parameter values 3, 5, and 8:
-//
-// class FooTest : public TestWithParam<int> { ... };
-//
-// TEST_P(FooTest, TestThis) {
-// }
-// TEST_P(FooTest, TestThat) {
-// }
-// INSTANTIATE_TEST_CASE_P(TestSequence, FooTest, Values(3, 5, 8));
-//
-
-// Range() returns generators providing sequences of values in a range.
-//
-// Synopsis:
-// Range(start, end)
-//   - returns a generator producing a sequence of values {start, start+1,
-//     start+2, ..., }.
-// Range(start, end, step)
-//   - returns a generator producing a sequence of values {start, start+step,
-//     start+step+step, ..., }.
-// Notes:
-//   * The generated sequences never include end. For example, Range(1, 5)
-//     returns a generator producing a sequence {1, 2, 3, 4}. Range(1, 9, 2)
-//     returns a generator producing {1, 3, 5, 7}.
-//   * start and end must have the same type. That type may be any integral or
-//     floating-point type or a user defined type satisfying these conditions:
-//     * It must be assignable (have operator=() defined).
-//     * It must have operator+() (operator+(int-compatible type) for
-//       two-operand version).
-//     * It must have operator<() defined.
-//     Elements in the resulting sequences will also have that type.
-//   * Condition start < end must be satisfied in order for resulting sequences
-//     to contain any elements.
-//
-template <typename T, typename IncrementT>
-internal::ParamGenerator<T> Range(T start, T end, IncrementT step) {
-  return internal::ParamGenerator<T>(
-      new internal::RangeGenerator<T, IncrementT>(start, end, step));
-}
-
-template <typename T>
-internal::ParamGenerator<T> Range(T start, T end) {
-  return Range(start, end, 1);
-}
-
-// ValuesIn() function allows generation of tests with parameters coming from
-// a container.
-//
-// Synopsis:
-// ValuesIn(const T (&array)[N])
-//   - returns a generator producing sequences with elements from
-//     a C-style array.
-// ValuesIn(const Container& container)
-//   - returns a generator producing sequences with elements from
-//     an STL-style container.
-// ValuesIn(Iterator begin, Iterator end)
-//   - returns a generator producing sequences with elements from
-//     a range [begin, end) defined by a pair of STL-style iterators. These
-//     iterators can also be plain C pointers.
-//
-// Please note that ValuesIn copies the values from the containers
-// passed in and keeps them to generate tests in RUN_ALL_TESTS().
-//
-// Examples:
-//
-// This instantiates tests from test case StringTest
-// each with C-string values of "foo", "bar", and "baz":
-//
-// const char* strings[] = {"foo", "bar", "baz"};
-// INSTANTIATE_TEST_CASE_P(StringSequence, SrtingTest, ValuesIn(strings));
-//
-// This instantiates tests from test case StlStringTest
-// each with STL strings with values "a" and "b":
-//
-// ::std::vector< ::std::string> GetParameterStrings() {
-//   ::std::vector< ::std::string> v;
-//   v.push_back("a");
-//   v.push_back("b");
-//   return v;
-// }
-//
-// INSTANTIATE_TEST_CASE_P(CharSequence,
-//                         StlStringTest,
-//                         ValuesIn(GetParameterStrings()));
-//
-//
-// This will also instantiate tests from CharTest
-// each with parameter values 'a' and 'b':
-//
-// ::std::list<char> GetParameterChars() {
-//   ::std::list<char> list;
-//   list.push_back('a');
-//   list.push_back('b');
-//   return list;
-// }
-// ::std::list<char> l = GetParameterChars();
-// INSTANTIATE_TEST_CASE_P(CharSequence2,
-//                         CharTest,
-//                         ValuesIn(l.begin(), l.end()));
-//
-template <typename ForwardIterator>
-internal::ParamGenerator<
-  typename ::testing::internal::IteratorTraits<ForwardIterator>::value_type>
-ValuesIn(ForwardIterator begin, ForwardIterator end) {
-  typedef typename ::testing::internal::IteratorTraits<ForwardIterator>
-      ::value_type ParamType;
-  return internal::ParamGenerator<ParamType>(
-      new internal::ValuesInIteratorRangeGenerator<ParamType>(begin, end));
-}
-
-template <typename T, size_t N>
-internal::ParamGenerator<T> ValuesIn(const T (&array)[N]) {
-  return ValuesIn(array, array + N);
-}
-
-template <class Container>
-internal::ParamGenerator<typename Container::value_type> ValuesIn(
-    const Container& container) {
-  return ValuesIn(container.begin(), container.end());
-}
-
-// Values() allows generating tests from explicitly specified list of
-// parameters.
-//
-// Synopsis:
-// Values(T v1, T v2, ..., T vN)
-//   - returns a generator producing sequences with elements v1, v2, ..., vN.
-//
-// For example, this instantiates tests from test case BarTest each
-// with values "one", "two", and "three":
-//
-// INSTANTIATE_TEST_CASE_P(NumSequence, BarTest, Values("one", "two", "three"));
-//
-// This instantiates tests from test case BazTest each with values 1, 2, 3.5.
-// The exact type of values will depend on the type of parameter in BazTest.
-//
-// INSTANTIATE_TEST_CASE_P(FloatingNumbers, BazTest, Values(1, 2, 3.5));
-//
-// Currently, Values() supports from 1 to 50 parameters.
-//
-template <typename T1>
-internal::ValueArray1<T1> Values(T1 v1) {
-  return internal::ValueArray1<T1>(v1);
-}
-
-template <typename T1, typename T2>
-internal::ValueArray2<T1, T2> Values(T1 v1, T2 v2) {
-  return internal::ValueArray2<T1, T2>(v1, v2);
-}
-
-template <typename T1, typename T2, typename T3>
-internal::ValueArray3<T1, T2, T3> Values(T1 v1, T2 v2, T3 v3) {
-  return internal::ValueArray3<T1, T2, T3>(v1, v2, v3);
-}
-
-template <typename T1, typename T2, typename T3, typename T4>
-internal::ValueArray4<T1, T2, T3, T4> Values(T1 v1, T2 v2, T3 v3, T4 v4) {
-  return internal::ValueArray4<T1, T2, T3, T4>(v1, v2, v3, v4);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5>
-internal::ValueArray5<T1, T2, T3, T4, T5> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5) {
-  return internal::ValueArray5<T1, T2, T3, T4, T5>(v1, v2, v3, v4, v5);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6>
-internal::ValueArray6<T1, T2, T3, T4, T5, T6> Values(T1 v1, T2 v2, T3 v3,
-    T4 v4, T5 v5, T6 v6) {
-  return internal::ValueArray6<T1, T2, T3, T4, T5, T6>(v1, v2, v3, v4, v5, v6);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7>
-internal::ValueArray7<T1, T2, T3, T4, T5, T6, T7> Values(T1 v1, T2 v2, T3 v3,
-    T4 v4, T5 v5, T6 v6, T7 v7) {
-  return internal::ValueArray7<T1, T2, T3, T4, T5, T6, T7>(v1, v2, v3, v4, v5,
-      v6, v7);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8>
-internal::ValueArray8<T1, T2, T3, T4, T5, T6, T7, T8> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8) {
-  return internal::ValueArray8<T1, T2, T3, T4, T5, T6, T7, T8>(v1, v2, v3, v4,
-      v5, v6, v7, v8);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9>
-internal::ValueArray9<T1, T2, T3, T4, T5, T6, T7, T8, T9> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9) {
-  return internal::ValueArray9<T1, T2, T3, T4, T5, T6, T7, T8, T9>(v1, v2, v3,
-      v4, v5, v6, v7, v8, v9);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10>
-internal::ValueArray10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10> Values(T1 v1,
-    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10) {
-  return internal::ValueArray10<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10>(v1,
-      v2, v3, v4, v5, v6, v7, v8, v9, v10);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11>
-internal::ValueArray11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10,
-    T11> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11) {
-  return internal::ValueArray11<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10,
-      T11>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12>
-internal::ValueArray12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-    T12> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12) {
-  return internal::ValueArray12<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13>
-internal::ValueArray13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12,
-    T13> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13) {
-  return internal::ValueArray13<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14>
-internal::ValueArray14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14) {
-  return internal::ValueArray14<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
-      v14);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15>
-internal::ValueArray15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
-    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15) {
-  return internal::ValueArray15<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
-      v13, v14, v15);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16>
-internal::ValueArray16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16) {
-  return internal::ValueArray16<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
-      v12, v13, v14, v15, v16);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17>
-internal::ValueArray17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17) {
-  return internal::ValueArray17<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
-      v11, v12, v13, v14, v15, v16, v17);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18>
-internal::ValueArray18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
-    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18) {
-  return internal::ValueArray18<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
-      v10, v11, v12, v13, v14, v15, v16, v17, v18);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19>
-internal::ValueArray19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
-    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
-    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19) {
-  return internal::ValueArray19<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19>(v1, v2, v3, v4, v5, v6, v7, v8,
-      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20>
-internal::ValueArray20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
-    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20) {
-  return internal::ValueArray20<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20>(v1, v2, v3, v4, v5, v6, v7,
-      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21>
-internal::ValueArray21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
-    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21) {
-  return internal::ValueArray21<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21>(v1, v2, v3, v4, v5, v6,
-      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22>
-internal::ValueArray22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22> Values(T1 v1, T2 v2, T3 v3,
-    T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22) {
-  return internal::ValueArray22<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22>(v1, v2, v3, v4,
-      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
-      v20, v21, v22);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23>
-internal::ValueArray23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22, T23 v23) {
-  return internal::ValueArray23<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23>(v1, v2, v3,
-      v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
-      v20, v21, v22, v23);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24>
-internal::ValueArray24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22, T23 v23, T24 v24) {
-  return internal::ValueArray24<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24>(v1, v2,
-      v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18,
-      v19, v20, v21, v22, v23, v24);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25>
-internal::ValueArray25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25> Values(T1 v1,
-    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11,
-    T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19,
-    T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25) {
-  return internal::ValueArray25<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25>(v1,
-      v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17,
-      v18, v19, v20, v21, v22, v23, v24, v25);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26>
-internal::ValueArray26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-    T26> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26) {
-  return internal::ValueArray26<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15,
-      v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27>
-internal::ValueArray27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26,
-    T27> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27) {
-  return internal::ValueArray27<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14,
-      v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28>
-internal::ValueArray28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27,
-    T28> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28) {
-  return internal::ValueArray28<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
-      v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27,
-      v28);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29>
-internal::ValueArray29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28, T29 v29) {
-  return internal::ValueArray29<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
-      v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26,
-      v27, v28, v29);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30>
-internal::ValueArray30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
-    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
-    T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
-    T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30) {
-  return internal::ValueArray30<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
-      v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25,
-      v26, v27, v28, v29, v30);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31>
-internal::ValueArray31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31) {
-  return internal::ValueArray31<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
-      v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24,
-      v25, v26, v27, v28, v29, v30, v31);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32>
-internal::ValueArray32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
-    T32 v32) {
-  return internal::ValueArray32<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
-      v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
-      v24, v25, v26, v27, v28, v29, v30, v31, v32);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33>
-internal::ValueArray33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
-    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
-    T32 v32, T33 v33) {
-  return internal::ValueArray33<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33>(v1, v2, v3, v4, v5, v6, v7, v8,
-      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
-      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34>
-internal::ValueArray34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
-    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
-    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22,
-    T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30,
-    T31 v31, T32 v32, T33 v33, T34 v34) {
-  return internal::ValueArray34<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34>(v1, v2, v3, v4, v5, v6, v7,
-      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22,
-      v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35>
-internal::ValueArray35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
-    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
-    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
-    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35) {
-  return internal::ValueArray35<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35>(v1, v2, v3, v4, v5, v6,
-      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21,
-      v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36>
-internal::ValueArray36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
-    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
-    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
-    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36) {
-  return internal::ValueArray36<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36>(v1, v2, v3, v4,
-      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
-      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
-      v34, v35, v36);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37>
-internal::ValueArray37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37> Values(T1 v1, T2 v2, T3 v3,
-    T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
-    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
-    T37 v37) {
-  return internal::ValueArray37<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37>(v1, v2, v3,
-      v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
-      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
-      v34, v35, v36, v37);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38>
-internal::ValueArray38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
-    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
-    T37 v37, T38 v38) {
-  return internal::ValueArray38<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38>(v1, v2,
-      v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18,
-      v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32,
-      v33, v34, v35, v36, v37, v38);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39>
-internal::ValueArray39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39> Values(T1 v1, T2 v2,
-    T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12,
-    T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20,
-    T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28,
-    T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36,
-    T37 v37, T38 v38, T39 v39) {
-  return internal::ValueArray39<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39>(v1,
-      v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17,
-      v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31,
-      v32, v33, v34, v35, v36, v37, v38, v39);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40>
-internal::ValueArray40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40> Values(T1 v1,
-    T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11,
-    T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19,
-    T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27,
-    T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35,
-    T36 v36, T37 v37, T38 v38, T39 v39, T40 v40) {
-  return internal::ValueArray40<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15,
-      v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28, v29,
-      v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41>
-internal::ValueArray41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40,
-    T41> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41) {
-  return internal::ValueArray41<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13, v14,
-      v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27, v28,
-      v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42>
-internal::ValueArray42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41,
-    T42> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-    T42 v42) {
-  return internal::ValueArray42<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12, v13,
-      v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26, v27,
-      v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40, v41,
-      v42);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43>
-internal::ValueArray43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42,
-    T43> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-    T42 v42, T43 v43) {
-  return internal::ValueArray43<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11, v12,
-      v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25, v26,
-      v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39, v40,
-      v41, v42, v43);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44>
-internal::ValueArray44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8, T9 v9,
-    T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16, T17 v17,
-    T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24, T25 v25,
-    T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32, T33 v33,
-    T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40, T41 v41,
-    T42 v42, T43 v43, T44 v44) {
-  return internal::ValueArray44<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10, v11,
-      v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24, v25,
-      v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38, v39,
-      v40, v41, v42, v43, v44);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45>
-internal::ValueArray45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7, T8 v8,
-    T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15, T16 v16,
-    T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23, T24 v24,
-    T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31, T32 v32,
-    T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39, T40 v40,
-    T41 v41, T42 v42, T43 v43, T44 v44, T45 v45) {
-  return internal::ValueArray45<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45>(v1, v2, v3, v4, v5, v6, v7, v8, v9, v10,
-      v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23, v24,
-      v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37, v38,
-      v39, v40, v41, v42, v43, v44, v45);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46>
-internal::ValueArray46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
-    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
-    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46) {
-  return internal::ValueArray46<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45, T46>(v1, v2, v3, v4, v5, v6, v7, v8, v9,
-      v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
-      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37,
-      v38, v39, v40, v41, v42, v43, v44, v45, v46);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47>
-internal::ValueArray47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46, T47> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6, T7 v7,
-    T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
-    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
-    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47) {
-  return internal::ValueArray47<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45, T46, T47>(v1, v2, v3, v4, v5, v6, v7, v8,
-      v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22, v23,
-      v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36, v37,
-      v38, v39, v40, v41, v42, v43, v44, v45, v46, v47);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48>
-internal::ValueArray48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46, T47, T48> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5, T6 v6,
-    T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14, T15 v15,
-    T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22, T23 v23,
-    T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30, T31 v31,
-    T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38, T39 v39,
-    T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46, T47 v47,
-    T48 v48) {
-  return internal::ValueArray48<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45, T46, T47, T48>(v1, v2, v3, v4, v5, v6, v7,
-      v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21, v22,
-      v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35, v36,
-      v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49>
-internal::ValueArray49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46, T47, T48, T49> Values(T1 v1, T2 v2, T3 v3, T4 v4, T5 v5,
-    T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13, T14 v14,
-    T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21, T22 v22,
-    T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29, T30 v30,
-    T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37, T38 v38,
-    T39 v39, T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45, T46 v46,
-    T47 v47, T48 v48, T49 v49) {
-  return internal::ValueArray49<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45, T46, T47, T48, T49>(v1, v2, v3, v4, v5, v6,
-      v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19, v20, v21,
-      v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33, v34, v35,
-      v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47, v48, v49);
-}
-
-template <typename T1, typename T2, typename T3, typename T4, typename T5,
-    typename T6, typename T7, typename T8, typename T9, typename T10,
-    typename T11, typename T12, typename T13, typename T14, typename T15,
-    typename T16, typename T17, typename T18, typename T19, typename T20,
-    typename T21, typename T22, typename T23, typename T24, typename T25,
-    typename T26, typename T27, typename T28, typename T29, typename T30,
-    typename T31, typename T32, typename T33, typename T34, typename T35,
-    typename T36, typename T37, typename T38, typename T39, typename T40,
-    typename T41, typename T42, typename T43, typename T44, typename T45,
-    typename T46, typename T47, typename T48, typename T49, typename T50>
-internal::ValueArray50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11, T12, T13,
-    T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25, T26, T27, T28,
-    T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39, T40, T41, T42, T43,
-    T44, T45, T46, T47, T48, T49, T50> Values(T1 v1, T2 v2, T3 v3, T4 v4,
-    T5 v5, T6 v6, T7 v7, T8 v8, T9 v9, T10 v10, T11 v11, T12 v12, T13 v13,
-    T14 v14, T15 v15, T16 v16, T17 v17, T18 v18, T19 v19, T20 v20, T21 v21,
-    T22 v22, T23 v23, T24 v24, T25 v25, T26 v26, T27 v27, T28 v28, T29 v29,
-    T30 v30, T31 v31, T32 v32, T33 v33, T34 v34, T35 v35, T36 v36, T37 v37,
-    T38 v38, T39 v39, T40 v40, T41 v41, T42 v42, T43 v43, T44 v44, T45 v45,
-    T46 v46, T47 v47, T48 v48, T49 v49, T50 v50) {
-  return internal::ValueArray50<T1, T2, T3, T4, T5, T6, T7, T8, T9, T10, T11,
-      T12, T13, T14, T15, T16, T17, T18, T19, T20, T21, T22, T23, T24, T25,
-      T26, T27, T28, T29, T30, T31, T32, T33, T34, T35, T36, T37, T38, T39,
-      T40, T41, T42, T43, T44, T45, T46, T47, T48, T49, T50>(v1, v2, v3, v4,
-      v5, v6, v7, v8, v9, v10, v11, v12, v13, v14, v15, v16, v17, v18, v19,
-      v20, v21, v22, v23, v24, v25, v26, v27, v28, v29, v30, v31, v32, v33,
-      v34, v35, v36, v37, v38, v39, v40, v41, v42, v43, v44, v45, v46, v47,
-      v48, v49, v50);
-}
-
-// Bool() allows generating tests with parameters in a set of (false, true).
-//
-// Synopsis:
-// Bool()
-//   - returns a generator producing sequences with elements {false, true}.
-//
-// It is useful when testing code that depends on Boolean flags. Combinations
-// of multiple flags can be tested when several Bool()'s are combined using
-// Combine() function.
-//
-// In the following example all tests in the test case FlagDependentTest
-// will be instantiated twice with parameters false and true.
-//
-// class FlagDependentTest : public testing::TestWithParam<bool> {
-//   virtual void SetUp() {
-//     external_flag = GetParam();
-//   }
-// }
-// INSTANTIATE_TEST_CASE_P(BoolSequence, FlagDependentTest, Bool());
-//
-inline internal::ParamGenerator<bool> Bool() {
-  return Values(false, true);
-}
-
-# if GTEST_HAS_COMBINE
-// Combine() allows the user to combine two or more sequences to produce
-// values of a Cartesian product of those sequences' elements.
-//
-// Synopsis:
-// Combine(gen1, gen2, ..., genN)
-//   - returns a generator producing sequences with elements coming from
-//     the Cartesian product of elements from the sequences generated by
-//     gen1, gen2, ..., genN. The sequence elements will have a type of
-//     tuple<T1, T2, ..., TN> where T1, T2, ..., TN are the types
-//     of elements from sequences produces by gen1, gen2, ..., genN.
-//
-// Combine can have up to 10 arguments. This number is currently limited
-// by the maximum number of elements in the tuple implementation used by Google
-// Test.
-//
-// Example:
-//
-// This will instantiate tests in test case AnimalTest each one with
-// the parameter values tuple("cat", BLACK), tuple("cat", WHITE),
-// tuple("dog", BLACK), and tuple("dog", WHITE):
-//
-// enum Color { BLACK, GRAY, WHITE };
-// class AnimalTest
-//     : public testing::TestWithParam<tuple<const char*, Color> > {...};
-//
-// TEST_P(AnimalTest, AnimalLooksNice) {...}
-//
-// INSTANTIATE_TEST_CASE_P(AnimalVariations, AnimalTest,
-//                         Combine(Values("cat", "dog"),
-//                                 Values(BLACK, WHITE)));
-//
-// This will instantiate tests in FlagDependentTest with all variations of two
-// Boolean flags:
-//
-// class FlagDependentTest
-//     : public testing::TestWithParam<tuple<bool, bool> > {
-//   virtual void SetUp() {
-//     // Assigns external_flag_1 and external_flag_2 values from the tuple.
-//     tie(external_flag_1, external_flag_2) = GetParam();
-//   }
-// };
-//
-// TEST_P(FlagDependentTest, TestFeature1) {
-//   // Test your code using external_flag_1 and external_flag_2 here.
-// }
-// INSTANTIATE_TEST_CASE_P(TwoBoolSequence, FlagDependentTest,
-//                         Combine(Bool(), Bool()));
-//
-template <typename Generator1, typename Generator2>
-internal::CartesianProductHolder2<Generator1, Generator2> Combine(
-    const Generator1& g1, const Generator2& g2) {
-  return internal::CartesianProductHolder2<Generator1, Generator2>(
-      g1, g2);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3>
-internal::CartesianProductHolder3<Generator1, Generator2, Generator3> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3) {
-  return internal::CartesianProductHolder3<Generator1, Generator2, Generator3>(
-      g1, g2, g3);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4>
-internal::CartesianProductHolder4<Generator1, Generator2, Generator3,
-    Generator4> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4) {
-  return internal::CartesianProductHolder4<Generator1, Generator2, Generator3,
-      Generator4>(
-      g1, g2, g3, g4);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5>
-internal::CartesianProductHolder5<Generator1, Generator2, Generator3,
-    Generator4, Generator5> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5) {
-  return internal::CartesianProductHolder5<Generator1, Generator2, Generator3,
-      Generator4, Generator5>(
-      g1, g2, g3, g4, g5);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5, typename Generator6>
-internal::CartesianProductHolder6<Generator1, Generator2, Generator3,
-    Generator4, Generator5, Generator6> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5, const Generator6& g6) {
-  return internal::CartesianProductHolder6<Generator1, Generator2, Generator3,
-      Generator4, Generator5, Generator6>(
-      g1, g2, g3, g4, g5, g6);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5, typename Generator6,
-    typename Generator7>
-internal::CartesianProductHolder7<Generator1, Generator2, Generator3,
-    Generator4, Generator5, Generator6, Generator7> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5, const Generator6& g6,
-        const Generator7& g7) {
-  return internal::CartesianProductHolder7<Generator1, Generator2, Generator3,
-      Generator4, Generator5, Generator6, Generator7>(
-      g1, g2, g3, g4, g5, g6, g7);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5, typename Generator6,
-    typename Generator7, typename Generator8>
-internal::CartesianProductHolder8<Generator1, Generator2, Generator3,
-    Generator4, Generator5, Generator6, Generator7, Generator8> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5, const Generator6& g6,
-        const Generator7& g7, const Generator8& g8) {
-  return internal::CartesianProductHolder8<Generator1, Generator2, Generator3,
-      Generator4, Generator5, Generator6, Generator7, Generator8>(
-      g1, g2, g3, g4, g5, g6, g7, g8);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5, typename Generator6,
-    typename Generator7, typename Generator8, typename Generator9>
-internal::CartesianProductHolder9<Generator1, Generator2, Generator3,
-    Generator4, Generator5, Generator6, Generator7, Generator8,
-    Generator9> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5, const Generator6& g6,
-        const Generator7& g7, const Generator8& g8, const Generator9& g9) {
-  return internal::CartesianProductHolder9<Generator1, Generator2, Generator3,
-      Generator4, Generator5, Generator6, Generator7, Generator8, Generator9>(
-      g1, g2, g3, g4, g5, g6, g7, g8, g9);
-}
-
-template <typename Generator1, typename Generator2, typename Generator3,
-    typename Generator4, typename Generator5, typename Generator6,
-    typename Generator7, typename Generator8, typename Generator9,
-    typename Generator10>
-internal::CartesianProductHolder10<Generator1, Generator2, Generator3,
-    Generator4, Generator5, Generator6, Generator7, Generator8, Generator9,
-    Generator10> Combine(
-    const Generator1& g1, const Generator2& g2, const Generator3& g3,
-        const Generator4& g4, const Generator5& g5, const Generator6& g6,
-        const Generator7& g7, const Generator8& g8, const Generator9& g9,
-        const Generator10& g10) {
-  return internal::CartesianProductHolder10<Generator1, Generator2, Generator3,
-      Generator4, Generator5, Generator6, Generator7, Generator8, Generator9,
-      Generator10>(
-      g1, g2, g3, g4, g5, g6, g7, g8, g9, g10);
-}
-# endif  // GTEST_HAS_COMBINE
-
-
-
-# define TEST_P(test_case_name, test_name) \
-  class GTEST_TEST_CLASS_NAME_(test_case_name, test_name) \
-      : public test_case_name { \
-   public: \
-    GTEST_TEST_CLASS_NAME_(test_case_name, test_name)() {} \
-    virtual void TestBody(); \
-   private: \
-    static int AddToRegistry() { \
-      ::testing::UnitTest::GetInstance()->parameterized_test_registry(). \
-          GetTestCasePatternHolder<test_case_name>(\
-              #test_case_name, __FILE__, __LINE__)->AddTestPattern(\
-                  #test_case_name, \
-                  #test_name, \
-                  new ::testing::internal::TestMetaFactory< \
-                      GTEST_TEST_CLASS_NAME_(test_case_name, test_name)>()); \
-      return 0; \
-    } \
-    static int gtest_registering_dummy_; \
-    GTEST_DISALLOW_COPY_AND_ASSIGN_(\
-        GTEST_TEST_CLASS_NAME_(test_case_name, test_name)); \
-  }; \
-  int GTEST_TEST_CLASS_NAME_(test_case_name, \
-                             test_name)::gtest_registering_dummy_ = \
-      GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::AddToRegistry(); \
-  void GTEST_TEST_CLASS_NAME_(test_case_name, test_name)::TestBody()
-
-# define INSTANTIATE_TEST_CASE_P(prefix, test_case_name, generator) \
-  ::testing::internal::ParamGenerator<test_case_name::ParamType> \
-      gtest_##prefix##test_case_name##_EvalGenerator_() { return generator; } \
-  int gtest_##prefix##test_case_name##_dummy_ = \
-      ::testing::UnitTest::GetInstance()->parameterized_test_registry(). \
-          GetTestCasePatternHolder<test_case_name>(\
-              #test_case_name, __FILE__, __LINE__)->AddTestCaseInstantiation(\
-                  #prefix, \
-                  &gtest_##prefix##test_case_name##_EvalGenerator_, \
-                  __FILE__, __LINE__)
-
-}  // namespace testing
-
-#endif  // GTEST_HAS_PARAM_TEST
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_PARAM_TEST_H_
-// Copyright 2006, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-//
-// Google C++ Testing Framework definitions useful in production code.
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_PROD_H_
-#define GTEST_INCLUDE_GTEST_GTEST_PROD_H_
-
-// When you need to test the private or protected members of a class,
-// use the FRIEND_TEST macro to declare your tests as friends of the
-// class.  For example:
-//
-// class MyClass {
-//  private:
-//   void MyMethod();
-//   FRIEND_TEST(MyClassTest, MyMethod);
-// };
-//
-// class MyClassTest : public testing::Test {
-//   // ...
-// };
-//
-// TEST_F(MyClassTest, MyMethod) {
-//   // Can call MyClass::MyMethod() here.
-// }
-
-#define FRIEND_TEST(test_case_name, test_name)\
-friend class test_case_name##_##test_name##_Test
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_PROD_H_
-// Copyright 2008, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: mheule@google.com (Markus Heule)
-//
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
-#define GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
-
-#include <iosfwd>
-#include <vector>
-
-namespace testing {
-
-// A copyable object representing the result of a test part (i.e. an
-// assertion or an explicit FAIL(), ADD_FAILURE(), or SUCCESS()).
-//
-// Don't inherit from TestPartResult as its destructor is not virtual.
-class GTEST_API_ TestPartResult {
- public:
-  // The possible outcomes of a test part (i.e. an assertion or an
-  // explicit SUCCEED(), FAIL(), or ADD_FAILURE()).
-  enum Type {
-    kSuccess,          // Succeeded.
-    kNonFatalFailure,  // Failed but the test can continue.
-    kFatalFailure      // Failed and the test should be terminated.
-  };
-
-  // C'tor.  TestPartResult does NOT have a default constructor.
-  // Always use this constructor (with parameters) to create a
-  // TestPartResult object.
-  TestPartResult(Type a_type,
-                 const char* a_file_name,
-                 int a_line_number,
-                 const char* a_message)
-      : type_(a_type),
-        file_name_(a_file_name == NULL ? "" : a_file_name),
-        line_number_(a_line_number),
-        summary_(ExtractSummary(a_message)),
-        message_(a_message) {
-  }
-
-  // Gets the outcome of the test part.
-  Type type() const { return type_; }
-
-  // Gets the name of the source file where the test part took place, or
-  // NULL if it's unknown.
-  const char* file_name() const {
-    return file_name_.empty() ? NULL : file_name_.c_str();
-  }
-
-  // Gets the line in the source file where the test part took place,
-  // or -1 if it's unknown.
-  int line_number() const { return line_number_; }
-
-  // Gets the summary of the failure message.
-  const char* summary() const { return summary_.c_str(); }
-
-  // Gets the message associated with the test part.
-  const char* message() const { return message_.c_str(); }
-
-  // Returns true iff the test part passed.
-  bool passed() const { return type_ == kSuccess; }
-
-  // Returns true iff the test part failed.
-  bool failed() const { return type_ != kSuccess; }
-
-  // Returns true iff the test part non-fatally failed.
-  bool nonfatally_failed() const { return type_ == kNonFatalFailure; }
-
-  // Returns true iff the test part fatally failed.
-  bool fatally_failed() const { return type_ == kFatalFailure; }
-
- private:
-  Type type_;
-
-  // Gets the summary of the failure message by omitting the stack
-  // trace in it.
-  static std::string ExtractSummary(const char* message);
-
-  // The name of the source file where the test part took place, or
-  // "" if the source file is unknown.
-  std::string file_name_;
-  // The line in the source file where the test part took place, or -1
-  // if the line number is unknown.
-  int line_number_;
-  std::string summary_;  // The test failure summary.
-  std::string message_;  // The test failure message.
-};
-
-// Prints a TestPartResult object.
-std::ostream& operator<<(std::ostream& os, const TestPartResult& result);
-
-// An array of TestPartResult objects.
-//
-// Don't inherit from TestPartResultArray as its destructor is not
-// virtual.
-class GTEST_API_ TestPartResultArray {
- public:
-  TestPartResultArray() {}
-
-  // Appends the given TestPartResult to the array.
-  void Append(const TestPartResult& result);
-
-  // Returns the TestPartResult at the given index (0-based).
-  const TestPartResult& GetTestPartResult(int index) const;
-
-  // Returns the number of TestPartResult objects in the array.
-  int size() const;
-
- private:
-  std::vector<TestPartResult> array_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestPartResultArray);
-};
-
-// This interface knows how to report a test part result.
-class TestPartResultReporterInterface {
- public:
-  virtual ~TestPartResultReporterInterface() {}
-
-  virtual void ReportTestPartResult(const TestPartResult& result) = 0;
-};
-
-namespace internal {
-
-// This helper class is used by {ASSERT|EXPECT}_NO_FATAL_FAILURE to check if a
-// statement generates new fatal failures. To do so it registers itself as the
-// current test part result reporter. Besides checking if fatal failures were
-// reported, it only delegates the reporting to the former result reporter.
-// The original result reporter is restored in the destructor.
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-class GTEST_API_ HasNewFatalFailureHelper
-    : public TestPartResultReporterInterface {
- public:
-  HasNewFatalFailureHelper();
-  virtual ~HasNewFatalFailureHelper();
-  virtual void ReportTestPartResult(const TestPartResult& result);
-  bool has_new_fatal_failure() const { return has_new_fatal_failure_; }
- private:
-  bool has_new_fatal_failure_;
-  TestPartResultReporterInterface* original_reporter_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(HasNewFatalFailureHelper);
-};
-
-}  // namespace internal
-
-}  // namespace testing
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_TEST_PART_H_
-// Copyright 2008 Google Inc.
-// All Rights Reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-//
-// Author: wan@google.com (Zhanyong Wan)
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
-#define GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
-
-// This header implements typed tests and type-parameterized tests.
-
-// Typed (aka type-driven) tests repeat the same test for types in a
-// list.  You must know which types you want to test with when writing
-// typed tests. Here's how you do it:
-
-#if 0
-
-// First, define a fixture class template.  It should be parameterized
-// by a type.  Remember to derive it from testing::Test.
-template <typename T>
-class FooTest : public testing::Test {
- public:
-  ...
-  typedef std::list<T> List;
-  static T shared_;
-  T value_;
-};
-
-// Next, associate a list of types with the test case, which will be
-// repeated for each type in the list.  The typedef is necessary for
-// the macro to parse correctly.
-typedef testing::Types<char, int, unsigned int> MyTypes;
-TYPED_TEST_CASE(FooTest, MyTypes);
-
-// If the type list contains only one type, you can write that type
-// directly without Types<...>:
-//   TYPED_TEST_CASE(FooTest, int);
-
-// Then, use TYPED_TEST() instead of TEST_F() to define as many typed
-// tests for this test case as you want.
-TYPED_TEST(FooTest, DoesBlah) {
-  // Inside a test, refer to TypeParam to get the type parameter.
-  // Since we are inside a derived class template, C++ requires use to
-  // visit the members of FooTest via 'this'.
-  TypeParam n = this->value_;
-
-  // To visit static members of the fixture, add the TestFixture::
-  // prefix.
-  n += TestFixture::shared_;
-
-  // To refer to typedefs in the fixture, add the "typename
-  // TestFixture::" prefix.
-  typename TestFixture::List values;
-  values.push_back(n);
-  ...
-}
-
-TYPED_TEST(FooTest, HasPropertyA) { ... }
-
-#endif  // 0
-
-// Type-parameterized tests are abstract test patterns parameterized
-// by a type.  Compared with typed tests, type-parameterized tests
-// allow you to define the test pattern without knowing what the type
-// parameters are.  The defined pattern can be instantiated with
-// different types any number of times, in any number of translation
-// units.
-//
-// If you are designing an interface or concept, you can define a
-// suite of type-parameterized tests to verify properties that any
-// valid implementation of the interface/concept should have.  Then,
-// each implementation can easily instantiate the test suite to verify
-// that it conforms to the requirements, without having to write
-// similar tests repeatedly.  Here's an example:
-
-#if 0
-
-// First, define a fixture class template.  It should be parameterized
-// by a type.  Remember to derive it from testing::Test.
-template <typename T>
-class FooTest : public testing::Test {
-  ...
-};
-
-// Next, declare that you will define a type-parameterized test case
-// (the _P suffix is for "parameterized" or "pattern", whichever you
-// prefer):
-TYPED_TEST_CASE_P(FooTest);
-
-// Then, use TYPED_TEST_P() to define as many type-parameterized tests
-// for this type-parameterized test case as you want.
-TYPED_TEST_P(FooTest, DoesBlah) {
-  // Inside a test, refer to TypeParam to get the type parameter.
-  TypeParam n = 0;
-  ...
-}
-
-TYPED_TEST_P(FooTest, HasPropertyA) { ... }
-
-// Now the tricky part: you need to register all test patterns before
-// you can instantiate them.  The first argument of the macro is the
-// test case name; the rest are the names of the tests in this test
-// case.
-REGISTER_TYPED_TEST_CASE_P(FooTest,
-                           DoesBlah, HasPropertyA);
-
-// Finally, you are free to instantiate the pattern with the types you
-// want.  If you put the above code in a header file, you can #include
-// it in multiple C++ source files and instantiate it multiple times.
-//
-// To distinguish different instances of the pattern, the first
-// argument to the INSTANTIATE_* macro is a prefix that will be added
-// to the actual test case name.  Remember to pick unique prefixes for
-// different instances.
-typedef testing::Types<char, int, unsigned int> MyTypes;
-INSTANTIATE_TYPED_TEST_CASE_P(My, FooTest, MyTypes);
-
-// If the type list contains only one type, you can write that type
-// directly without Types<...>:
-//   INSTANTIATE_TYPED_TEST_CASE_P(My, FooTest, int);
-
-#endif  // 0
-
-
-// Implements typed tests.
-
-#if GTEST_HAS_TYPED_TEST
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Expands to the name of the typedef for the type parameters of the
-// given test case.
-# define GTEST_TYPE_PARAMS_(TestCaseName) gtest_type_params_##TestCaseName##_
-
-// The 'Types' template argument below must have spaces around it
-// since some compilers may choke on '>>' when passing a template
-// instance (e.g. Types<int>)
-# define TYPED_TEST_CASE(CaseName, Types) \
-  typedef ::testing::internal::TypeList< Types >::type \
-      GTEST_TYPE_PARAMS_(CaseName)
-
-# define TYPED_TEST(CaseName, TestName) \
-  template <typename gtest_TypeParam_> \
-  class GTEST_TEST_CLASS_NAME_(CaseName, TestName) \
-      : public CaseName<gtest_TypeParam_> { \
-   private: \
-    typedef CaseName<gtest_TypeParam_> TestFixture; \
-    typedef gtest_TypeParam_ TypeParam; \
-    virtual void TestBody(); \
-  }; \
-  bool gtest_##CaseName##_##TestName##_registered_ GTEST_ATTRIBUTE_UNUSED_ = \
-      ::testing::internal::TypeParameterizedTest< \
-          CaseName, \
-          ::testing::internal::TemplateSel< \
-              GTEST_TEST_CLASS_NAME_(CaseName, TestName)>, \
-          GTEST_TYPE_PARAMS_(CaseName)>::Register(\
-              "", #CaseName, #TestName, 0); \
-  template <typename gtest_TypeParam_> \
-  void GTEST_TEST_CLASS_NAME_(CaseName, TestName)<gtest_TypeParam_>::TestBody()
-
-#endif  // GTEST_HAS_TYPED_TEST
-
-// Implements type-parameterized tests.
-
-#if GTEST_HAS_TYPED_TEST_P
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Expands to the namespace name that the type-parameterized tests for
-// the given type-parameterized test case are defined in.  The exact
-// name of the namespace is subject to change without notice.
-# define GTEST_CASE_NAMESPACE_(TestCaseName) \
-  gtest_case_##TestCaseName##_
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-//
-// Expands to the name of the variable used to remember the names of
-// the defined tests in the given test case.
-# define GTEST_TYPED_TEST_CASE_P_STATE_(TestCaseName) \
-  gtest_typed_test_case_p_state_##TestCaseName##_
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE DIRECTLY.
-//
-// Expands to the name of the variable used to remember the names of
-// the registered tests in the given test case.
-# define GTEST_REGISTERED_TEST_NAMES_(TestCaseName) \
-  gtest_registered_test_names_##TestCaseName##_
-
-// The variables defined in the type-parameterized test macros are
-// static as typically these macros are used in a .h file that can be
-// #included in multiple translation units linked together.
-# define TYPED_TEST_CASE_P(CaseName) \
-  static ::testing::internal::TypedTestCasePState \
-      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName)
-
-# define TYPED_TEST_P(CaseName, TestName) \
-  namespace GTEST_CASE_NAMESPACE_(CaseName) { \
-  template <typename gtest_TypeParam_> \
-  class TestName : public CaseName<gtest_TypeParam_> { \
-   private: \
-    typedef CaseName<gtest_TypeParam_> TestFixture; \
-    typedef gtest_TypeParam_ TypeParam; \
-    virtual void TestBody(); \
-  }; \
-  static bool gtest_##TestName##_defined_ GTEST_ATTRIBUTE_UNUSED_ = \
-      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName).AddTestName(\
-          __FILE__, __LINE__, #CaseName, #TestName); \
-  } \
-  template <typename gtest_TypeParam_> \
-  void GTEST_CASE_NAMESPACE_(CaseName)::TestName<gtest_TypeParam_>::TestBody()
-
-# define REGISTER_TYPED_TEST_CASE_P(CaseName, ...) \
-  namespace GTEST_CASE_NAMESPACE_(CaseName) { \
-  typedef ::testing::internal::Templates<__VA_ARGS__>::type gtest_AllTests_; \
-  } \
-  static const char* const GTEST_REGISTERED_TEST_NAMES_(CaseName) = \
-      GTEST_TYPED_TEST_CASE_P_STATE_(CaseName).VerifyRegisteredTestNames(\
-          __FILE__, __LINE__, #__VA_ARGS__)
-
-// The 'Types' template argument below must have spaces around it
-// since some compilers may choke on '>>' when passing a template
-// instance (e.g. Types<int>)
-# define INSTANTIATE_TYPED_TEST_CASE_P(Prefix, CaseName, Types) \
-  bool gtest_##Prefix##_##CaseName GTEST_ATTRIBUTE_UNUSED_ = \
-      ::testing::internal::TypeParameterizedTestCase<CaseName, \
-          GTEST_CASE_NAMESPACE_(CaseName)::gtest_AllTests_, \
-          ::testing::internal::TypeList< Types >::type>::Register(\
-              #Prefix, #CaseName, GTEST_REGISTERED_TEST_NAMES_(CaseName))
-
-#endif  // GTEST_HAS_TYPED_TEST_P
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_TYPED_TEST_H_
-
-// Depending on the platform, different string classes are available.
-// On Linux, in addition to ::std::string, Google also makes use of
-// class ::string, which has the same interface as ::std::string, but
-// has a different implementation.
-//
-// The user can define GTEST_HAS_GLOBAL_STRING to 1 to indicate that
-// ::string is available AND is a distinct type to ::std::string, or
-// define it to 0 to indicate otherwise.
-//
-// If the user's ::std::string and ::string are the same class due to
-// aliasing, he should define GTEST_HAS_GLOBAL_STRING to 0.
-//
-// If the user doesn't define GTEST_HAS_GLOBAL_STRING, it is defined
-// heuristically.
-
-namespace testing {
-
-// Declares the flags.
-
-// This flag temporary enables the disabled tests.
-GTEST_DECLARE_bool_(also_run_disabled_tests);
-
-// This flag brings the debugger on an assertion failure.
-GTEST_DECLARE_bool_(break_on_failure);
-
-// This flag controls whether Google Test catches all test-thrown exceptions
-// and logs them as failures.
-GTEST_DECLARE_bool_(catch_exceptions);
-
-// This flag enables using colors in terminal output. Available values are
-// "yes" to enable colors, "no" (disable colors), or "auto" (the default)
-// to let Google Test decide.
-GTEST_DECLARE_string_(color);
-
-// This flag sets up the filter to select by name using a glob pattern
-// the tests to run. If the filter is not given all tests are executed.
-GTEST_DECLARE_string_(filter);
-
-// This flag causes the Google Test to list tests. None of the tests listed
-// are actually run if the flag is provided.
-GTEST_DECLARE_bool_(list_tests);
-
-// This flag controls whether Google Test emits a detailed XML report to a file
-// in addition to its normal textual output.
-GTEST_DECLARE_string_(output);
-
-// This flags control whether Google Test prints the elapsed time for each
-// test.
-GTEST_DECLARE_bool_(print_time);
-
-// This flag specifies the random number seed.
-GTEST_DECLARE_int32_(random_seed);
-
-// This flag sets how many times the tests are repeated. The default value
-// is 1. If the value is -1 the tests are repeating forever.
-GTEST_DECLARE_int32_(repeat);
-
-// This flag controls whether Google Test includes Google Test internal
-// stack frames in failure stack traces.
-GTEST_DECLARE_bool_(show_internal_stack_frames);
-
-// When this flag is specified, tests' order is randomized on every iteration.
-GTEST_DECLARE_bool_(shuffle);
-
-// This flag specifies the maximum number of stack frames to be
-// printed in a failure message.
-GTEST_DECLARE_int32_(stack_trace_depth);
-
-// When this flag is specified, a failed assertion will throw an
-// exception if exceptions are enabled, or exit the program with a
-// non-zero code otherwise.
-GTEST_DECLARE_bool_(throw_on_failure);
-
-// When this flag is set with a "host:port" string, on supported
-// platforms test results are streamed to the specified port on
-// the specified host machine.
-GTEST_DECLARE_string_(stream_result_to);
-
-// The upper limit for valid stack trace depths.
-const int kMaxStackTraceDepth = 100;
-
-namespace internal {
-
-class AssertHelper;
-class DefaultGlobalTestPartResultReporter;
-class ExecDeathTest;
-class NoExecDeathTest;
-class FinalSuccessChecker;
-class GTestFlagSaver;
-class StreamingListenerTest;
-class TestResultAccessor;
-class TestEventListenersAccessor;
-class TestEventRepeater;
-class UnitTestRecordPropertyTestHelper;
-class WindowsDeathTest;
-class UnitTestImpl* GetUnitTestImpl();
-void ReportFailureInUnknownLocation(TestPartResult::Type result_type,
-                                    const std::string& message);
-
-}  // namespace internal
-
-// The friend relationship of some of these classes is cyclic.
-// If we don't forward declare them the compiler might confuse the classes
-// in friendship clauses with same named classes on the scope.
-class Test;
-class TestCase;
-class TestInfo;
-class UnitTest;
-
-// A class for indicating whether an assertion was successful.  When
-// the assertion wasn't successful, the AssertionResult object
-// remembers a non-empty message that describes how it failed.
-//
-// To create an instance of this class, use one of the factory functions
-// (AssertionSuccess() and AssertionFailure()).
-//
-// This class is useful for two purposes:
-//   1. Defining predicate functions to be used with Boolean test assertions
-//      EXPECT_TRUE/EXPECT_FALSE and their ASSERT_ counterparts
-//   2. Defining predicate-format functions to be
-//      used with predicate assertions (ASSERT_PRED_FORMAT*, etc).
-//
-// For example, if you define IsEven predicate:
-//
-//   testing::AssertionResult IsEven(int n) {
-//     if ((n % 2) == 0)
-//       return testing::AssertionSuccess();
-//     else
-//       return testing::AssertionFailure() << n << " is odd";
-//   }
-//
-// Then the failed expectation EXPECT_TRUE(IsEven(Fib(5)))
-// will print the message
-//
-//   Value of: IsEven(Fib(5))
-//     Actual: false (5 is odd)
-//   Expected: true
-//
-// instead of a more opaque
-//
-//   Value of: IsEven(Fib(5))
-//     Actual: false
-//   Expected: true
-//
-// in case IsEven is a simple Boolean predicate.
-//
-// If you expect your predicate to be reused and want to support informative
-// messages in EXPECT_FALSE and ASSERT_FALSE (negative assertions show up
-// about half as often as positive ones in our tests), supply messages for
-// both success and failure cases:
-//
-//   testing::AssertionResult IsEven(int n) {
-//     if ((n % 2) == 0)
-//       return testing::AssertionSuccess() << n << " is even";
-//     else
-//       return testing::AssertionFailure() << n << " is odd";
-//   }
-//
-// Then a statement EXPECT_FALSE(IsEven(Fib(6))) will print
-//
-//   Value of: IsEven(Fib(6))
-//     Actual: true (8 is even)
-//   Expected: false
-//
-// NB: Predicates that support negative Boolean assertions have reduced
-// performance in positive ones so be careful not to use them in tests
-// that have lots (tens of thousands) of positive Boolean assertions.
-//
-// To use this class with EXPECT_PRED_FORMAT assertions such as:
-//
-//   // Verifies that Foo() returns an even number.
-//   EXPECT_PRED_FORMAT1(IsEven, Foo());
-//
-// you need to define:
-//
-//   testing::AssertionResult IsEven(const char* expr, int n) {
-//     if ((n % 2) == 0)
-//       return testing::AssertionSuccess();
-//     else
-//       return testing::AssertionFailure()
-//         << "Expected: " << expr << " is even\n  Actual: it's " << n;
-//   }
-//
-// If Foo() returns 5, you will see the following message:
-//
-//   Expected: Foo() is even
-//     Actual: it's 5
-//
-class GTEST_API_ AssertionResult {
- public:
-  // Copy constructor.
-  // Used in EXPECT_TRUE/FALSE(assertion_result).
-  AssertionResult(const AssertionResult& other);
-  // Used in the EXPECT_TRUE/FALSE(bool_expression).
-  explicit AssertionResult(bool success) : success_(success) {}
-
-  // Returns true iff the assertion succeeded.
-  operator bool() const { return success_; }  // NOLINT
-
-  // Returns the assertion's negation. Used with EXPECT/ASSERT_FALSE.
-  AssertionResult operator!() const;
-
-  // Returns the text streamed into this AssertionResult. Test assertions
-  // use it when they fail (i.e., the predicate's outcome doesn't match the
-  // assertion's expectation). When nothing has been streamed into the
-  // object, returns an empty string.
-  const char* message() const {
-    return message_.get() != NULL ?  message_->c_str() : "";
-  }
-  // TODO(vladl@google.com): Remove this after making sure no clients use it.
-  // Deprecated; please use message() instead.
-  const char* failure_message() const { return message(); }
-
-  // Streams a custom failure message into this object.
-  template <typename T> AssertionResult& operator<<(const T& value) {
-    AppendMessage(Message() << value);
-    return *this;
-  }
-
-  // Allows streaming basic output manipulators such as endl or flush into
-  // this object.
-  AssertionResult& operator<<(
-      ::std::ostream& (*basic_manipulator)(::std::ostream& stream)) {
-    AppendMessage(Message() << basic_manipulator);
-    return *this;
-  }
-
- private:
-  // Appends the contents of message to message_.
-  void AppendMessage(const Message& a_message) {
-    if (message_.get() == NULL)
-      message_.reset(new ::std::string);
-    message_->append(a_message.GetString().c_str());
-  }
-
-  // Stores result of the assertion predicate.
-  bool success_;
-  // Stores the message describing the condition in case the expectation
-  // construct is not satisfied with the predicate's outcome.
-  // Referenced via a pointer to avoid taking too much stack frame space
-  // with test assertions.
-  internal::scoped_ptr< ::std::string> message_;
-
-  GTEST_DISALLOW_ASSIGN_(AssertionResult);
-};
-
-// Makes a successful assertion result.
-GTEST_API_ AssertionResult AssertionSuccess();
-
-// Makes a failed assertion result.
-GTEST_API_ AssertionResult AssertionFailure();
-
-// Makes a failed assertion result with the given failure message.
-// Deprecated; use AssertionFailure() << msg.
-GTEST_API_ AssertionResult AssertionFailure(const Message& msg);
-
-// The abstract class that all tests inherit from.
-//
-// In Google Test, a unit test program contains one or many TestCases, and
-// each TestCase contains one or many Tests.
-//
-// When you define a test using the TEST macro, you don't need to
-// explicitly derive from Test - the TEST macro automatically does
-// this for you.
-//
-// The only time you derive from Test is when defining a test fixture
-// to be used a TEST_F.  For example:
-//
-//   class FooTest : public testing::Test {
-//    protected:
-//     virtual void SetUp() { ... }
-//     virtual void TearDown() { ... }
-//     ...
-//   };
-//
-//   TEST_F(FooTest, Bar) { ... }
-//   TEST_F(FooTest, Baz) { ... }
-//
-// Test is not copyable.
-class GTEST_API_ Test {
- public:
-  friend class TestInfo;
-
-  // Defines types for pointers to functions that set up and tear down
-  // a test case.
-  typedef internal::SetUpTestCaseFunc SetUpTestCaseFunc;
-  typedef internal::TearDownTestCaseFunc TearDownTestCaseFunc;
-
-  // The d'tor is virtual as we intend to inherit from Test.
-  virtual ~Test();
-
-  // Sets up the stuff shared by all tests in this test case.
-  //
-  // Google Test will call Foo::SetUpTestCase() before running the first
-  // test in test case Foo.  Hence a sub-class can define its own
-  // SetUpTestCase() method to shadow the one defined in the super
-  // class.
-  static void SetUpTestCase() {}
-
-  // Tears down the stuff shared by all tests in this test case.
-  //
-  // Google Test will call Foo::TearDownTestCase() after running the last
-  // test in test case Foo.  Hence a sub-class can define its own
-  // TearDownTestCase() method to shadow the one defined in the super
-  // class.
-  static void TearDownTestCase() {}
-
-  // Returns true iff the current test has a fatal failure.
-  static bool HasFatalFailure();
-
-  // Returns true iff the current test has a non-fatal failure.
-  static bool HasNonfatalFailure();
-
-  // Returns true iff the current test has a (either fatal or
-  // non-fatal) failure.
-  static bool HasFailure() { return HasFatalFailure() || HasNonfatalFailure(); }
-
-  // Logs a property for the current test, test case, or for the entire
-  // invocation of the test program when used outside of the context of a
-  // test case.  Only the last value for a given key is remembered.  These
-  // are public static so they can be called from utility functions that are
-  // not members of the test fixture.  Calls to RecordProperty made during
-  // lifespan of the test (from the moment its constructor starts to the
-  // moment its destructor finishes) will be output in XML as attributes of
-  // the <testcase> element.  Properties recorded from fixture's
-  // SetUpTestCase or TearDownTestCase are logged as attributes of the
-  // corresponding <testsuite> element.  Calls to RecordProperty made in the
-  // global context (before or after invocation of RUN_ALL_TESTS and from
-  // SetUp/TearDown method of Environment objects registered with Google
-  // Test) will be output as attributes of the <testsuites> element.
-  static void RecordProperty(const std::string& key, const std::string& value);
-  static void RecordProperty(const std::string& key, int value);
-
- protected:
-  // Creates a Test object.
-  Test();
-
-  // Sets up the test fixture.
-  virtual void SetUp();
-
-  // Tears down the test fixture.
-  virtual void TearDown();
-
- private:
-  // Returns true iff the current test has the same fixture class as
-  // the first test in the current test case.
-  static bool HasSameFixtureClass();
-
-  // Runs the test after the test fixture has been set up.
-  //
-  // A sub-class must implement this to define the test logic.
-  //
-  // DO NOT OVERRIDE THIS FUNCTION DIRECTLY IN A USER PROGRAM.
-  // Instead, use the TEST or TEST_F macro.
-  virtual void TestBody() = 0;
-
-  // Sets up, executes, and tears down the test.
-  void Run();
-
-  // Deletes self.  We deliberately pick an unusual name for this
-  // internal method to avoid clashing with names used in user TESTs.
-  void DeleteSelf_() { delete this; }
-
-  // Uses a GTestFlagSaver to save and restore all Google Test flags.
-  const internal::GTestFlagSaver* const gtest_flag_saver_;
-
-  // Often a user mis-spells SetUp() as Setup() and spends a long time
-  // wondering why it is never called by Google Test.  The declaration of
-  // the following method is solely for catching such an error at
-  // compile time:
-  //
-  //   - The return type is deliberately chosen to be not void, so it
-  //   will be a conflict if a user declares void Setup() in his test
-  //   fixture.
-  //
-  //   - This method is private, so it will be another compiler error
-  //   if a user calls it from his test fixture.
-  //
-  // DO NOT OVERRIDE THIS FUNCTION.
-  //
-  // If you see an error about overriding the following function or
-  // about it being private, you have mis-spelled SetUp() as Setup().
-  struct Setup_should_be_spelled_SetUp {};
-  virtual Setup_should_be_spelled_SetUp* Setup() { return NULL; }
-
-  // We disallow copying Tests.
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(Test);
-};
-
-typedef internal::TimeInMillis TimeInMillis;
-
-// A copyable object representing a user specified test property which can be
-// output as a key/value string pair.
-//
-// Don't inherit from TestProperty as its destructor is not virtual.
-class TestProperty {
- public:
-  // C'tor.  TestProperty does NOT have a default constructor.
-  // Always use this constructor (with parameters) to create a
-  // TestProperty object.
-  TestProperty(const std::string& a_key, const std::string& a_value) :
-    key_(a_key), value_(a_value) {
-  }
-
-  // Gets the user supplied key.
-  const char* key() const {
-    return key_.c_str();
-  }
-
-  // Gets the user supplied value.
-  const char* value() const {
-    return value_.c_str();
-  }
-
-  // Sets a new value, overriding the one supplied in the constructor.
-  void SetValue(const std::string& new_value) {
-    value_ = new_value;
-  }
-
- private:
-  // The key supplied by the user.
-  std::string key_;
-  // The value supplied by the user.
-  std::string value_;
-};
-
-// The result of a single Test.  This includes a list of
-// TestPartResults, a list of TestProperties, a count of how many
-// death tests there are in the Test, and how much time it took to run
-// the Test.
-//
-// TestResult is not copyable.
-class GTEST_API_ TestResult {
- public:
-  // Creates an empty TestResult.
-  TestResult();
-
-  // D'tor.  Do not inherit from TestResult.
-  ~TestResult();
-
-  // Gets the number of all test parts.  This is the sum of the number
-  // of successful test parts and the number of failed test parts.
-  int total_part_count() const;
-
-  // Returns the number of the test properties.
-  int test_property_count() const;
-
-  // Returns true iff the test passed (i.e. no test part failed).
-  bool Passed() const { return !Failed(); }
-
-  // Returns true iff the test failed.
-  bool Failed() const;
-
-  // Returns true iff the test fatally failed.
-  bool HasFatalFailure() const;
-
-  // Returns true iff the test has a non-fatal failure.
-  bool HasNonfatalFailure() const;
-
-  // Returns the elapsed time, in milliseconds.
-  TimeInMillis elapsed_time() const { return elapsed_time_; }
-
-  // Returns the i-th test part result among all the results. i can range
-  // from 0 to test_property_count() - 1. If i is not in that range, aborts
-  // the program.
-  const TestPartResult& GetTestPartResult(int i) const;
-
-  // Returns the i-th test property. i can range from 0 to
-  // test_property_count() - 1. If i is not in that range, aborts the
-  // program.
-  const TestProperty& GetTestProperty(int i) const;
-
- private:
-  friend class TestInfo;
-  friend class TestCase;
-  friend class UnitTest;
-  friend class internal::DefaultGlobalTestPartResultReporter;
-  friend class internal::ExecDeathTest;
-  friend class internal::TestResultAccessor;
-  friend class internal::UnitTestImpl;
-  friend class internal::WindowsDeathTest;
-
-  // Gets the vector of TestPartResults.
-  const std::vector<TestPartResult>& test_part_results() const {
-    return test_part_results_;
-  }
-
-  // Gets the vector of TestProperties.
-  const std::vector<TestProperty>& test_properties() const {
-    return test_properties_;
-  }
-
-  // Sets the elapsed time.
-  void set_elapsed_time(TimeInMillis elapsed) { elapsed_time_ = elapsed; }
-
-  // Adds a test property to the list. The property is validated and may add
-  // a non-fatal failure if invalid (e.g., if it conflicts with reserved
-  // key names). If a property is already recorded for the same key, the
-  // value will be updated, rather than storing multiple values for the same
-  // key.  xml_element specifies the element for which the property is being
-  // recorded and is used for validation.
-  void RecordProperty(const std::string& xml_element,
-                      const TestProperty& test_property);
-
-  // Adds a failure if the key is a reserved attribute of Google Test
-  // testcase tags.  Returns true if the property is valid.
-  // TODO(russr): Validate attribute names are legal and human readable.
-  static bool ValidateTestProperty(const std::string& xml_element,
-                                   const TestProperty& test_property);
-
-  // Adds a test part result to the list.
-  void AddTestPartResult(const TestPartResult& test_part_result);
-
-  // Returns the death test count.
-  int death_test_count() const { return death_test_count_; }
-
-  // Increments the death test count, returning the new count.
-  int increment_death_test_count() { return ++death_test_count_; }
-
-  // Clears the test part results.
-  void ClearTestPartResults();
-
-  // Clears the object.
-  void Clear();
-
-  // Protects mutable state of the property vector and of owned
-  // properties, whose values may be updated.
-  internal::Mutex test_properites_mutex_;
-
-  // The vector of TestPartResults
-  std::vector<TestPartResult> test_part_results_;
-  // The vector of TestProperties
-  std::vector<TestProperty> test_properties_;
-  // Running count of death tests.
-  int death_test_count_;
-  // The elapsed time, in milliseconds.
-  TimeInMillis elapsed_time_;
-
-  // We disallow copying TestResult.
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestResult);
-};  // class TestResult
-
-// A TestInfo object stores the following information about a test:
-//
-//   Test case name
-//   Test name
-//   Whether the test should be run
-//   A function pointer that creates the test object when invoked
-//   Test result
-//
-// The constructor of TestInfo registers itself with the UnitTest
-// singleton such that the RUN_ALL_TESTS() macro knows which tests to
-// run.
-class GTEST_API_ TestInfo {
- public:
-  // Destructs a TestInfo object.  This function is not virtual, so
-  // don't inherit from TestInfo.
-  ~TestInfo();
-
-  // Returns the test case name.
-  const char* test_case_name() const { return test_case_name_.c_str(); }
-
-  // Returns the test name.
-  const char* name() const { return name_.c_str(); }
-
-  // Returns the name of the parameter type, or NULL if this is not a typed
-  // or a type-parameterized test.
-  const char* type_param() const {
-    if (type_param_.get() != NULL)
-      return type_param_->c_str();
-    return NULL;
-  }
-
-  // Returns the text representation of the value parameter, or NULL if this
-  // is not a value-parameterized test.
-  const char* value_param() const {
-    if (value_param_.get() != NULL)
-      return value_param_->c_str();
-    return NULL;
-  }
-
-  // Returns true if this test should run, that is if the test is not
-  // disabled (or it is disabled but the also_run_disabled_tests flag has
-  // been specified) and its full name matches the user-specified filter.
-  //
-  // Google Test allows the user to filter the tests by their full names.
-  // The full name of a test Bar in test case Foo is defined as
-  // "Foo.Bar".  Only the tests that match the filter will run.
-  //
-  // A filter is a colon-separated list of glob (not regex) patterns,
-  // optionally followed by a '-' and a colon-separated list of
-  // negative patterns (tests to exclude).  A test is run if it
-  // matches one of the positive patterns and does not match any of
-  // the negative patterns.
-  //
-  // For example, *A*:Foo.* is a filter that matches any string that
-  // contains the character 'A' or starts with "Foo.".
-  bool should_run() const { return should_run_; }
-
-  // Returns true iff this test will appear in the XML report.
-  bool is_reportable() const {
-    // For now, the XML report includes all tests matching the filter.
-    // In the future, we may trim tests that are excluded because of
-    // sharding.
-    return matches_filter_;
-  }
-
-  // Returns the result of the test.
-  const TestResult* result() const { return &result_; }
-
- private:
-#if GTEST_HAS_DEATH_TEST
-  friend class internal::DefaultDeathTestFactory;
-#endif  // GTEST_HAS_DEATH_TEST
-  friend class Test;
-  friend class TestCase;
-  friend class internal::UnitTestImpl;
-  friend class internal::StreamingListenerTest;
-  friend TestInfo* internal::MakeAndRegisterTestInfo(
-      const char* test_case_name,
-      const char* name,
-      const char* type_param,
-      const char* value_param,
-      internal::TypeId fixture_class_id,
-      Test::SetUpTestCaseFunc set_up_tc,
-      Test::TearDownTestCaseFunc tear_down_tc,
-      internal::TestFactoryBase* factory);
-
-  // Constructs a TestInfo object. The newly constructed instance assumes
-  // ownership of the factory object.
-  TestInfo(const std::string& test_case_name,
-           const std::string& name,
-           const char* a_type_param,   // NULL if not a type-parameterized test
-           const char* a_value_param,  // NULL if not a value-parameterized test
-           internal::TypeId fixture_class_id,
-           internal::TestFactoryBase* factory);
-
-  // Increments the number of death tests encountered in this test so
-  // far.
-  int increment_death_test_count() {
-    return result_.increment_death_test_count();
-  }
-
-  // Creates the test object, runs it, records its result, and then
-  // deletes it.
-  void Run();
-
-  static void ClearTestResult(TestInfo* test_info) {
-    test_info->result_.Clear();
-  }
-
-  // These fields are immutable properties of the test.
-  const std::string test_case_name_;     // Test case name
-  const std::string name_;               // Test name
-  // Name of the parameter type, or NULL if this is not a typed or a
-  // type-parameterized test.
-  const internal::scoped_ptr<const ::std::string> type_param_;
-  // Text representation of the value parameter, or NULL if this is not a
-  // value-parameterized test.
-  const internal::scoped_ptr<const ::std::string> value_param_;
-  const internal::TypeId fixture_class_id_;   // ID of the test fixture class
-  bool should_run_;                 // True iff this test should run
-  bool is_disabled_;                // True iff this test is disabled
-  bool matches_filter_;             // True if this test matches the
-                                    // user-specified filter.
-  internal::TestFactoryBase* const factory_;  // The factory that creates
-                                              // the test object
-
-  // This field is mutable and needs to be reset before running the
-  // test for the second time.
-  TestResult result_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestInfo);
-};
-
-// A test case, which consists of a vector of TestInfos.
-//
-// TestCase is not copyable.
-class GTEST_API_ TestCase {
- public:
-  // Creates a TestCase with the given name.
-  //
-  // TestCase does NOT have a default constructor.  Always use this
-  // constructor to create a TestCase object.
-  //
-  // Arguments:
-  //
-  //   name:         name of the test case
-  //   a_type_param: the name of the test's type parameter, or NULL if
-  //                 this is not a type-parameterized test.
-  //   set_up_tc:    pointer to the function that sets up the test case
-  //   tear_down_tc: pointer to the function that tears down the test case
-  TestCase(const char* name, const char* a_type_param,
-           Test::SetUpTestCaseFunc set_up_tc,
-           Test::TearDownTestCaseFunc tear_down_tc);
-
-  // Destructor of TestCase.
-  virtual ~TestCase();
-
-  // Gets the name of the TestCase.
-  const char* name() const { return name_.c_str(); }
-
-  // Returns the name of the parameter type, or NULL if this is not a
-  // type-parameterized test case.
-  const char* type_param() const {
-    if (type_param_.get() != NULL)
-      return type_param_->c_str();
-    return NULL;
-  }
-
-  // Returns true if any test in this test case should run.
-  bool should_run() const { return should_run_; }
-
-  // Gets the number of successful tests in this test case.
-  int successful_test_count() const;
-
-  // Gets the number of failed tests in this test case.
-  int failed_test_count() const;
-
-  // Gets the number of disabled tests that will be reported in the XML report.
-  int reportable_disabled_test_count() const;
-
-  // Gets the number of disabled tests in this test case.
-  int disabled_test_count() const;
-
-  // Gets the number of tests to be printed in the XML report.
-  int reportable_test_count() const;
-
-  // Get the number of tests in this test case that should run.
-  int test_to_run_count() const;
-
-  // Gets the number of all tests in this test case.
-  int total_test_count() const;
-
-  // Returns true iff the test case passed.
-  bool Passed() const { return !Failed(); }
-
-  // Returns true iff the test case failed.
-  bool Failed() const { return failed_test_count() > 0; }
-
-  // Returns the elapsed time, in milliseconds.
-  TimeInMillis elapsed_time() const { return elapsed_time_; }
-
-  // Returns the i-th test among all the tests. i can range from 0 to
-  // total_test_count() - 1. If i is not in that range, returns NULL.
-  const TestInfo* GetTestInfo(int i) const;
-
-  // Returns the TestResult that holds test properties recorded during
-  // execution of SetUpTestCase and TearDownTestCase.
-  const TestResult& ad_hoc_test_result() const { return ad_hoc_test_result_; }
-
- private:
-  friend class Test;
-  friend class internal::UnitTestImpl;
-
-  // Gets the (mutable) vector of TestInfos in this TestCase.
-  std::vector<TestInfo*>& test_info_list() { return test_info_list_; }
-
-  // Gets the (immutable) vector of TestInfos in this TestCase.
-  const std::vector<TestInfo*>& test_info_list() const {
-    return test_info_list_;
-  }
-
-  // Returns the i-th test among all the tests. i can range from 0 to
-  // total_test_count() - 1. If i is not in that range, returns NULL.
-  TestInfo* GetMutableTestInfo(int i);
-
-  // Sets the should_run member.
-  void set_should_run(bool should) { should_run_ = should; }
-
-  // Adds a TestInfo to this test case.  Will delete the TestInfo upon
-  // destruction of the TestCase object.
-  void AddTestInfo(TestInfo * test_info);
-
-  // Clears the results of all tests in this test case.
-  void ClearResult();
-
-  // Clears the results of all tests in the given test case.
-  static void ClearTestCaseResult(TestCase* test_case) {
-    test_case->ClearResult();
-  }
-
-  // Runs every test in this TestCase.
-  void Run();
-
-  // Runs SetUpTestCase() for this TestCase.  This wrapper is needed
-  // for catching exceptions thrown from SetUpTestCase().
-  void RunSetUpTestCase() { (*set_up_tc_)(); }
-
-  // Runs TearDownTestCase() for this TestCase.  This wrapper is
-  // needed for catching exceptions thrown from TearDownTestCase().
-  void RunTearDownTestCase() { (*tear_down_tc_)(); }
-
-  // Returns true iff test passed.
-  static bool TestPassed(const TestInfo* test_info) {
-    return test_info->should_run() && test_info->result()->Passed();
-  }
-
-  // Returns true iff test failed.
-  static bool TestFailed(const TestInfo* test_info) {
-    return test_info->should_run() && test_info->result()->Failed();
-  }
-
-  // Returns true iff the test is disabled and will be reported in the XML
-  // report.
-  static bool TestReportableDisabled(const TestInfo* test_info) {
-    return test_info->is_reportable() && test_info->is_disabled_;
-  }
-
-  // Returns true iff test is disabled.
-  static bool TestDisabled(const TestInfo* test_info) {
-    return test_info->is_disabled_;
-  }
-
-  // Returns true iff this test will appear in the XML report.
-  static bool TestReportable(const TestInfo* test_info) {
-    return test_info->is_reportable();
-  }
-
-  // Returns true if the given test should run.
-  static bool ShouldRunTest(const TestInfo* test_info) {
-    return test_info->should_run();
-  }
-
-  // Shuffles the tests in this test case.
-  void ShuffleTests(internal::Random* random);
-
-  // Restores the test order to before the first shuffle.
-  void UnshuffleTests();
-
-  // Name of the test case.
-  std::string name_;
-  // Name of the parameter type, or NULL if this is not a typed or a
-  // type-parameterized test.
-  const internal::scoped_ptr<const ::std::string> type_param_;
-  // The vector of TestInfos in their original order.  It owns the
-  // elements in the vector.
-  std::vector<TestInfo*> test_info_list_;
-  // Provides a level of indirection for the test list to allow easy
-  // shuffling and restoring the test order.  The i-th element in this
-  // vector is the index of the i-th test in the shuffled test list.
-  std::vector<int> test_indices_;
-  // Pointer to the function that sets up the test case.
-  Test::SetUpTestCaseFunc set_up_tc_;
-  // Pointer to the function that tears down the test case.
-  Test::TearDownTestCaseFunc tear_down_tc_;
-  // True iff any test in this test case should run.
-  bool should_run_;
-  // Elapsed time, in milliseconds.
-  TimeInMillis elapsed_time_;
-  // Holds test properties recorded during execution of SetUpTestCase and
-  // TearDownTestCase.
-  TestResult ad_hoc_test_result_;
-
-  // We disallow copying TestCases.
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestCase);
-};
-
-// An Environment object is capable of setting up and tearing down an
-// environment.  The user should subclass this to define his own
-// environment(s).
-//
-// An Environment object does the set-up and tear-down in virtual
-// methods SetUp() and TearDown() instead of the constructor and the
-// destructor, as:
-//
-//   1. You cannot safely throw from a destructor.  This is a problem
-//      as in some cases Google Test is used where exceptions are enabled, and
-//      we may want to implement ASSERT_* using exceptions where they are
-//      available.
-//   2. You cannot use ASSERT_* directly in a constructor or
-//      destructor.
-class Environment {
- public:
-  // The d'tor is virtual as we need to subclass Environment.
-  virtual ~Environment() {}
-
-  // Override this to define how to set up the environment.
-  virtual void SetUp() {}
-
-  // Override this to define how to tear down the environment.
-  virtual void TearDown() {}
- private:
-  // If you see an error about overriding the following function or
-  // about it being private, you have mis-spelled SetUp() as Setup().
-  struct Setup_should_be_spelled_SetUp {};
-  virtual Setup_should_be_spelled_SetUp* Setup() { return NULL; }
-};
-
-// The interface for tracing execution of tests. The methods are organized in
-// the order the corresponding events are fired.
-class TestEventListener {
- public:
-  virtual ~TestEventListener() {}
-
-  // Fired before any test activity starts.
-  virtual void OnTestProgramStart(const UnitTest& unit_test) = 0;
-
-  // Fired before each iteration of tests starts.  There may be more than
-  // one iteration if GTEST_FLAG(repeat) is set. iteration is the iteration
-  // index, starting from 0.
-  virtual void OnTestIterationStart(const UnitTest& unit_test,
-                                    int iteration) = 0;
-
-  // Fired before environment set-up for each iteration of tests starts.
-  virtual void OnEnvironmentsSetUpStart(const UnitTest& unit_test) = 0;
-
-  // Fired after environment set-up for each iteration of tests ends.
-  virtual void OnEnvironmentsSetUpEnd(const UnitTest& unit_test) = 0;
-
-  // Fired before the test case starts.
-  virtual void OnTestCaseStart(const TestCase& test_case) = 0;
-
-  // Fired before the test starts.
-  virtual void OnTestStart(const TestInfo& test_info) = 0;
-
-  // Fired after a failed assertion or a SUCCEED() invocation.
-  virtual void OnTestPartResult(const TestPartResult& test_part_result) = 0;
-
-  // Fired after the test ends.
-  virtual void OnTestEnd(const TestInfo& test_info) = 0;
-
-  // Fired after the test case ends.
-  virtual void OnTestCaseEnd(const TestCase& test_case) = 0;
-
-  // Fired before environment tear-down for each iteration of tests starts.
-  virtual void OnEnvironmentsTearDownStart(const UnitTest& unit_test) = 0;
-
-  // Fired after environment tear-down for each iteration of tests ends.
-  virtual void OnEnvironmentsTearDownEnd(const UnitTest& unit_test) = 0;
-
-  // Fired after each iteration of tests finishes.
-  virtual void OnTestIterationEnd(const UnitTest& unit_test,
-                                  int iteration) = 0;
-
-  // Fired after all test activities have ended.
-  virtual void OnTestProgramEnd(const UnitTest& unit_test) = 0;
-};
-
-// The convenience class for users who need to override just one or two
-// methods and are not concerned that a possible change to a signature of
-// the methods they override will not be caught during the build.  For
-// comments about each method please see the definition of TestEventListener
-// above.
-class EmptyTestEventListener : public TestEventListener {
- public:
-  virtual void OnTestProgramStart(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestIterationStart(const UnitTest& /*unit_test*/,
-                                    int /*iteration*/) {}
-  virtual void OnEnvironmentsSetUpStart(const UnitTest& /*unit_test*/) {}
-  virtual void OnEnvironmentsSetUpEnd(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestCaseStart(const TestCase& /*test_case*/) {}
-  virtual void OnTestStart(const TestInfo& /*test_info*/) {}
-  virtual void OnTestPartResult(const TestPartResult& /*test_part_result*/) {}
-  virtual void OnTestEnd(const TestInfo& /*test_info*/) {}
-  virtual void OnTestCaseEnd(const TestCase& /*test_case*/) {}
-  virtual void OnEnvironmentsTearDownStart(const UnitTest& /*unit_test*/) {}
-  virtual void OnEnvironmentsTearDownEnd(const UnitTest& /*unit_test*/) {}
-  virtual void OnTestIterationEnd(const UnitTest& /*unit_test*/,
-                                  int /*iteration*/) {}
-  virtual void OnTestProgramEnd(const UnitTest& /*unit_test*/) {}
-};
-
-// TestEventListeners lets users add listeners to track events in Google Test.
-class GTEST_API_ TestEventListeners {
- public:
-  TestEventListeners();
-  ~TestEventListeners();
-
-  // Appends an event listener to the end of the list. Google Test assumes
-  // the ownership of the listener (i.e. it will delete the listener when
-  // the test program finishes).
-  void Append(TestEventListener* listener);
-
-  // Removes the given event listener from the list and returns it.  It then
-  // becomes the caller's responsibility to delete the listener. Returns
-  // NULL if the listener is not found in the list.
-  TestEventListener* Release(TestEventListener* listener);
-
-  // Returns the standard listener responsible for the default console
-  // output.  Can be removed from the listeners list to shut down default
-  // console output.  Note that removing this object from the listener list
-  // with Release transfers its ownership to the caller and makes this
-  // function return NULL the next time.
-  TestEventListener* default_result_printer() const {
-    return default_result_printer_;
-  }
-
-  // Returns the standard listener responsible for the default XML output
-  // controlled by the --gtest_output=xml flag.  Can be removed from the
-  // listeners list by users who want to shut down the default XML output
-  // controlled by this flag and substitute it with custom one.  Note that
-  // removing this object from the listener list with Release transfers its
-  // ownership to the caller and makes this function return NULL the next
-  // time.
-  TestEventListener* default_xml_generator() const {
-    return default_xml_generator_;
-  }
-
- private:
-  friend class TestCase;
-  friend class TestInfo;
-  friend class internal::DefaultGlobalTestPartResultReporter;
-  friend class internal::NoExecDeathTest;
-  friend class internal::TestEventListenersAccessor;
-  friend class internal::UnitTestImpl;
-
-  // Returns repeater that broadcasts the TestEventListener events to all
-  // subscribers.
-  TestEventListener* repeater();
-
-  // Sets the default_result_printer attribute to the provided listener.
-  // The listener is also added to the listener list and previous
-  // default_result_printer is removed from it and deleted. The listener can
-  // also be NULL in which case it will not be added to the list. Does
-  // nothing if the previous and the current listener objects are the same.
-  void SetDefaultResultPrinter(TestEventListener* listener);
-
-  // Sets the default_xml_generator attribute to the provided listener.  The
-  // listener is also added to the listener list and previous
-  // default_xml_generator is removed from it and deleted. The listener can
-  // also be NULL in which case it will not be added to the list. Does
-  // nothing if the previous and the current listener objects are the same.
-  void SetDefaultXmlGenerator(TestEventListener* listener);
-
-  // Controls whether events will be forwarded by the repeater to the
-  // listeners in the list.
-  bool EventForwardingEnabled() const;
-  void SuppressEventForwarding();
-
-  // The actual list of listeners.
-  internal::TestEventRepeater* repeater_;
-  // Listener responsible for the standard result output.
-  TestEventListener* default_result_printer_;
-  // Listener responsible for the creation of the XML output file.
-  TestEventListener* default_xml_generator_;
-
-  // We disallow copying TestEventListeners.
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(TestEventListeners);
-};
-
-// A UnitTest consists of a vector of TestCases.
-//
-// This is a singleton class.  The only instance of UnitTest is
-// created when UnitTest::GetInstance() is first called.  This
-// instance is never deleted.
-//
-// UnitTest is not copyable.
-//
-// This class is thread-safe as long as the methods are called
-// according to their specification.
-class GTEST_API_ UnitTest {
- public:
-  // Gets the singleton UnitTest object.  The first time this method
-  // is called, a UnitTest object is constructed and returned.
-  // Consecutive calls will return the same object.
-  static UnitTest* GetInstance();
-
-  // Runs all tests in this UnitTest object and prints the result.
-  // Returns 0 if successful, or 1 otherwise.
-  //
-  // This method can only be called from the main thread.
-  //
-  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-  int Run() GTEST_MUST_USE_RESULT_;
-
-  // Returns the working directory when the first TEST() or TEST_F()
-  // was executed.  The UnitTest object owns the string.
-  const char* original_working_dir() const;
-
-  // Returns the TestCase object for the test that's currently running,
-  // or NULL if no test is running.
-  const TestCase* current_test_case() const
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // Returns the TestInfo object for the test that's currently running,
-  // or NULL if no test is running.
-  const TestInfo* current_test_info() const
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // Returns the random seed used at the start of the current test run.
-  int random_seed() const;
-
-#if GTEST_HAS_PARAM_TEST
-  // Returns the ParameterizedTestCaseRegistry object used to keep track of
-  // value-parameterized tests and instantiate and register them.
-  //
-  // INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-  internal::ParameterizedTestCaseRegistry& parameterized_test_registry()
-      GTEST_LOCK_EXCLUDED_(mutex_);
-#endif  // GTEST_HAS_PARAM_TEST
-
-  // Gets the number of successful test cases.
-  int successful_test_case_count() const;
-
-  // Gets the number of failed test cases.
-  int failed_test_case_count() const;
-
-  // Gets the number of all test cases.
-  int total_test_case_count() const;
-
-  // Gets the number of all test cases that contain at least one test
-  // that should run.
-  int test_case_to_run_count() const;
-
-  // Gets the number of successful tests.
-  int successful_test_count() const;
-
-  // Gets the number of failed tests.
-  int failed_test_count() const;
-
-  // Gets the number of disabled tests that will be reported in the XML report.
-  int reportable_disabled_test_count() const;
-
-  // Gets the number of disabled tests.
-  int disabled_test_count() const;
-
-  // Gets the number of tests to be printed in the XML report.
-  int reportable_test_count() const;
-
-  // Gets the number of all tests.
-  int total_test_count() const;
-
-  // Gets the number of tests that should run.
-  int test_to_run_count() const;
-
-  // Gets the time of the test program start, in ms from the start of the
-  // UNIX epoch.
-  TimeInMillis start_timestamp() const;
-
-  // Gets the elapsed time, in milliseconds.
-  TimeInMillis elapsed_time() const;
-
-  // Returns true iff the unit test passed (i.e. all test cases passed).
-  bool Passed() const;
-
-  // Returns true iff the unit test failed (i.e. some test case failed
-  // or something outside of all tests failed).
-  bool Failed() const;
-
-  // Gets the i-th test case among all the test cases. i can range from 0 to
-  // total_test_case_count() - 1. If i is not in that range, returns NULL.
-  const TestCase* GetTestCase(int i) const;
-
-  // Returns the TestResult containing information on test failures and
-  // properties logged outside of individual test cases.
-  const TestResult& ad_hoc_test_result() const;
-
-  // Returns the list of event listeners that can be used to track events
-  // inside Google Test.
-  TestEventListeners& listeners();
-
- private:
-  // Registers and returns a global test environment.  When a test
-  // program is run, all global test environments will be set-up in
-  // the order they were registered.  After all tests in the program
-  // have finished, all global test environments will be torn-down in
-  // the *reverse* order they were registered.
-  //
-  // The UnitTest object takes ownership of the given environment.
-  //
-  // This method can only be called from the main thread.
-  Environment* AddEnvironment(Environment* env);
-
-  // Adds a TestPartResult to the current TestResult object.  All
-  // Google Test assertion macros (e.g. ASSERT_TRUE, EXPECT_EQ, etc)
-  // eventually call this to report their results.  The user code
-  // should use the assertion macros instead of calling this directly.
-  void AddTestPartResult(TestPartResult::Type result_type,
-                         const char* file_name,
-                         int line_number,
-                         const std::string& message,
-                         const std::string& os_stack_trace)
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // Adds a TestProperty to the current TestResult object when invoked from
-  // inside a test, to current TestCase's ad_hoc_test_result_ when invoked
-  // from SetUpTestCase or TearDownTestCase, or to the global property set
-  // when invoked elsewhere.  If the result already contains a property with
-  // the same key, the value will be updated.
-  void RecordProperty(const std::string& key, const std::string& value);
-
-  // Gets the i-th test case among all the test cases. i can range from 0 to
-  // total_test_case_count() - 1. If i is not in that range, returns NULL.
-  TestCase* GetMutableTestCase(int i);
-
-  // Accessors for the implementation object.
-  internal::UnitTestImpl* impl() { return impl_; }
-  const internal::UnitTestImpl* impl() const { return impl_; }
-
-  // These classes and funcions are friends as they need to access private
-  // members of UnitTest.
-  friend class Test;
-  friend class internal::AssertHelper;
-  friend class internal::ScopedTrace;
-  friend class internal::StreamingListenerTest;
-  friend class internal::UnitTestRecordPropertyTestHelper;
-  friend Environment* AddGlobalTestEnvironment(Environment* env);
-  friend internal::UnitTestImpl* internal::GetUnitTestImpl();
-  friend void internal::ReportFailureInUnknownLocation(
-      TestPartResult::Type result_type,
-      const std::string& message);
-
-  // Creates an empty UnitTest.
-  UnitTest();
-
-  // D'tor
-  virtual ~UnitTest();
-
-  // Pushes a trace defined by SCOPED_TRACE() on to the per-thread
-  // Google Test trace stack.
-  void PushGTestTrace(const internal::TraceInfo& trace)
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // Pops a trace from the per-thread Google Test trace stack.
-  void PopGTestTrace()
-      GTEST_LOCK_EXCLUDED_(mutex_);
-
-  // Protects mutable state in *impl_.  This is mutable as some const
-  // methods need to lock it too.
-  mutable internal::Mutex mutex_;
-
-  // Opaque implementation object.  This field is never changed once
-  // the object is constructed.  We don't mark it as const here, as
-  // doing so will cause a warning in the constructor of UnitTest.
-  // Mutable state in *impl_ is protected by mutex_.
-  internal::UnitTestImpl* impl_;
-
-  // We disallow copying UnitTest.
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(UnitTest);
-};
-
-// A convenient wrapper for adding an environment for the test
-// program.
-//
-// You should call this before RUN_ALL_TESTS() is called, probably in
-// main().  If you use gtest_main, you need to call this before main()
-// starts for it to take effect.  For example, you can define a global
-// variable like this:
-//
-//   testing::Environment* const foo_env =
-//       testing::AddGlobalTestEnvironment(new FooEnvironment);
-//
-// However, we strongly recommend you to write your own main() and
-// call AddGlobalTestEnvironment() there, as relying on initialization
-// of global variables makes the code harder to read and may cause
-// problems when you register multiple environments from different
-// translation units and the environments have dependencies among them
-// (remember that the compiler doesn't guarantee the order in which
-// global variables from different translation units are initialized).
-inline Environment* AddGlobalTestEnvironment(Environment* env) {
-  return UnitTest::GetInstance()->AddEnvironment(env);
-}
-
-// Initializes Google Test.  This must be called before calling
-// RUN_ALL_TESTS().  In particular, it parses a command line for the
-// flags that Google Test recognizes.  Whenever a Google Test flag is
-// seen, it is removed from argv, and *argc is decremented.
-//
-// No value is returned.  Instead, the Google Test flag variables are
-// updated.
-//
-// Calling the function for the second time has no user-visible effect.
-GTEST_API_ void InitGoogleTest(int* argc, char** argv);
-
-// This overloaded version can be used in Windows programs compiled in
-// UNICODE mode.
-GTEST_API_ void InitGoogleTest(int* argc, wchar_t** argv);
-
-namespace internal {
-
-// FormatForComparison<ToPrint, OtherOperand>::Format(value) formats a
-// value of type ToPrint that is an operand of a comparison assertion
-// (e.g. ASSERT_EQ).  OtherOperand is the type of the other operand in
-// the comparison, and is used to help determine the best way to
-// format the value.  In particular, when the value is a C string
-// (char pointer) and the other operand is an STL string object, we
-// want to format the C string as a string, since we know it is
-// compared by value with the string object.  If the value is a char
-// pointer but the other operand is not an STL string object, we don't
-// know whether the pointer is supposed to point to a NUL-terminated
-// string, and thus want to print it as a pointer to be safe.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-
-// The default case.
-template <typename ToPrint, typename OtherOperand>
-class FormatForComparison {
- public:
-  static ::std::string Format(const ToPrint& value) {
-    return ::testing::PrintToString(value);
-  }
-};
-
-// Array.
-template <typename ToPrint, size_t N, typename OtherOperand>
-class FormatForComparison<ToPrint[N], OtherOperand> {
- public:
-  static ::std::string Format(const ToPrint* value) {
-    return FormatForComparison<const ToPrint*, OtherOperand>::Format(value);
-  }
-};
-
-// By default, print C string as pointers to be safe, as we don't know
-// whether they actually point to a NUL-terminated string.
-
-#define GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(CharType)                \
-  template <typename OtherOperand>                                      \
-  class FormatForComparison<CharType*, OtherOperand> {                  \
-   public:                                                              \
-    static ::std::string Format(CharType* value) {                      \
-      return ::testing::PrintToString(static_cast<const void*>(value)); \
-    }                                                                   \
-  }
-
-GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(char);
-GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(const char);
-GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(wchar_t);
-GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_(const wchar_t);
-
-#undef GTEST_IMPL_FORMAT_C_STRING_AS_POINTER_
-
-// If a C string is compared with an STL string object, we know it's meant
-// to point to a NUL-terminated string, and thus can print it as a string.
-
-#define GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(CharType, OtherStringType) \
-  template <>                                                           \
-  class FormatForComparison<CharType*, OtherStringType> {               \
-   public:                                                              \
-    static ::std::string Format(CharType* value) {                      \
-      return ::testing::PrintToString(value);                           \
-    }                                                                   \
-  }
-
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(char, ::std::string);
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const char, ::std::string);
-
-#if GTEST_HAS_GLOBAL_STRING
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(char, ::string);
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const char, ::string);
-#endif
-
-#if GTEST_HAS_GLOBAL_WSTRING
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(wchar_t, ::wstring);
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const wchar_t, ::wstring);
-#endif
-
-#if GTEST_HAS_STD_WSTRING
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(wchar_t, ::std::wstring);
-GTEST_IMPL_FORMAT_C_STRING_AS_STRING_(const wchar_t, ::std::wstring);
-#endif
-
-#undef GTEST_IMPL_FORMAT_C_STRING_AS_STRING_
-
-// Formats a comparison assertion (e.g. ASSERT_EQ, EXPECT_LT, and etc)
-// operand to be used in a failure message.  The type (but not value)
-// of the other operand may affect the format.  This allows us to
-// print a char* as a raw pointer when it is compared against another
-// char* or void*, and print it as a C string when it is compared
-// against an std::string object, for example.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-template <typename T1, typename T2>
-std::string FormatForComparisonFailureMessage(
-    const T1& value, const T2& /* other_operand */) {
-  return FormatForComparison<T1, T2>::Format(value);
-}
-
-// The helper function for {ASSERT|EXPECT}_EQ.
-template <typename T1, typename T2>
-AssertionResult CmpHelperEQ(const char* expected_expression,
-                            const char* actual_expression,
-                            const T1& expected,
-                            const T2& actual) {
-#ifdef _MSC_VER
-# pragma warning(push)          // Saves the current warning state.
-# pragma warning(disable:4389)  // Temporarily disables warning on
-                                // signed/unsigned mismatch.
-#endif
-
-  if (expected == actual) {
-    return AssertionSuccess();
-  }
-
-#ifdef _MSC_VER
-# pragma warning(pop)          // Restores the warning state.
-#endif
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   FormatForComparisonFailureMessage(expected, actual),
-                   FormatForComparisonFailureMessage(actual, expected),
-                   false);
-}
-
-// With this overloaded version, we allow anonymous enums to be used
-// in {ASSERT|EXPECT}_EQ when compiled with gcc 4, as anonymous enums
-// can be implicitly cast to BiggestInt.
-GTEST_API_ AssertionResult CmpHelperEQ(const char* expected_expression,
-                                       const char* actual_expression,
-                                       BiggestInt expected,
-                                       BiggestInt actual);
-
-// The helper class for {ASSERT|EXPECT}_EQ.  The template argument
-// lhs_is_null_literal is true iff the first argument to ASSERT_EQ()
-// is a null pointer literal.  The following default implementation is
-// for lhs_is_null_literal being false.
-template <bool lhs_is_null_literal>
-class EqHelper {
- public:
-  // This templatized version is for the general case.
-  template <typename T1, typename T2>
-  static AssertionResult Compare(const char* expected_expression,
-                                 const char* actual_expression,
-                                 const T1& expected,
-                                 const T2& actual) {
-    return CmpHelperEQ(expected_expression, actual_expression, expected,
-                       actual);
-  }
-
-  // With this overloaded version, we allow anonymous enums to be used
-  // in {ASSERT|EXPECT}_EQ when compiled with gcc 4, as anonymous
-  // enums can be implicitly cast to BiggestInt.
-  //
-  // Even though its body looks the same as the above version, we
-  // cannot merge the two, as it will make anonymous enums unhappy.
-  static AssertionResult Compare(const char* expected_expression,
-                                 const char* actual_expression,
-                                 BiggestInt expected,
-                                 BiggestInt actual) {
-    return CmpHelperEQ(expected_expression, actual_expression, expected,
-                       actual);
-  }
-};
-
-// This specialization is used when the first argument to ASSERT_EQ()
-// is a null pointer literal, like NULL, false, or 0.
-template <>
-class EqHelper<true> {
- public:
-  // We define two overloaded versions of Compare().  The first
-  // version will be picked when the second argument to ASSERT_EQ() is
-  // NOT a pointer, e.g. ASSERT_EQ(0, AnIntFunction()) or
-  // EXPECT_EQ(false, a_bool).
-  template <typename T1, typename T2>
-  static AssertionResult Compare(
-      const char* expected_expression,
-      const char* actual_expression,
-      const T1& expected,
-      const T2& actual,
-      // The following line prevents this overload from being considered if T2
-      // is not a pointer type.  We need this because ASSERT_EQ(NULL, my_ptr)
-      // expands to Compare("", "", NULL, my_ptr), which requires a conversion
-      // to match the Secret* in the other overload, which would otherwise make
-      // this template match better.
-      typename EnableIf<!is_pointer<T2>::value>::type* = 0) {
-    return CmpHelperEQ(expected_expression, actual_expression, expected,
-                       actual);
-  }
-
-  // This version will be picked when the second argument to ASSERT_EQ() is a
-  // pointer, e.g. ASSERT_EQ(NULL, a_pointer).
-  template <typename T>
-  static AssertionResult Compare(
-      const char* expected_expression,
-      const char* actual_expression,
-      // We used to have a second template parameter instead of Secret*.  That
-      // template parameter would deduce to 'long', making this a better match
-      // than the first overload even without the first overload's EnableIf.
-      // Unfortunately, gcc with -Wconversion-null warns when "passing NULL to
-      // non-pointer argument" (even a deduced integral argument), so the old
-      // implementation caused warnings in user code.
-      Secret* /* expected (NULL) */,
-      T* actual) {
-    // We already know that 'expected' is a null pointer.
-    return CmpHelperEQ(expected_expression, actual_expression,
-                       static_cast<T*>(NULL), actual);
-  }
-};
-
-// A macro for implementing the helper functions needed to implement
-// ASSERT_?? and EXPECT_??.  It is here just to avoid copy-and-paste
-// of similar code.
-//
-// For each templatized helper function, we also define an overloaded
-// version for BiggestInt in order to reduce code bloat and allow
-// anonymous enums to be used with {ASSERT|EXPECT}_?? when compiled
-// with gcc 4.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-#define GTEST_IMPL_CMP_HELPER_(op_name, op)\
-template <typename T1, typename T2>\
-AssertionResult CmpHelper##op_name(const char* expr1, const char* expr2, \
-                                   const T1& val1, const T2& val2) {\
-  if (val1 op val2) {\
-    return AssertionSuccess();\
-  } else {\
-    return AssertionFailure() \
-        << "Expected: (" << expr1 << ") " #op " (" << expr2\
-        << "), actual: " << FormatForComparisonFailureMessage(val1, val2)\
-        << " vs " << FormatForComparisonFailureMessage(val2, val1);\
-  }\
-}\
-GTEST_API_ AssertionResult CmpHelper##op_name(\
-    const char* expr1, const char* expr2, BiggestInt val1, BiggestInt val2)
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-
-// Implements the helper function for {ASSERT|EXPECT}_NE
-GTEST_IMPL_CMP_HELPER_(NE, !=);
-// Implements the helper function for {ASSERT|EXPECT}_LE
-GTEST_IMPL_CMP_HELPER_(LE, <=);
-// Implements the helper function for {ASSERT|EXPECT}_LT
-GTEST_IMPL_CMP_HELPER_(LT, <);
-// Implements the helper function for {ASSERT|EXPECT}_GE
-GTEST_IMPL_CMP_HELPER_(GE, >=);
-// Implements the helper function for {ASSERT|EXPECT}_GT
-GTEST_IMPL_CMP_HELPER_(GT, >);
-
-#undef GTEST_IMPL_CMP_HELPER_
-
-// The helper function for {ASSERT|EXPECT}_STREQ.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTREQ(const char* expected_expression,
-                                          const char* actual_expression,
-                                          const char* expected,
-                                          const char* actual);
-
-// The helper function for {ASSERT|EXPECT}_STRCASEEQ.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTRCASEEQ(const char* expected_expression,
-                                              const char* actual_expression,
-                                              const char* expected,
-                                              const char* actual);
-
-// The helper function for {ASSERT|EXPECT}_STRNE.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTRNE(const char* s1_expression,
-                                          const char* s2_expression,
-                                          const char* s1,
-                                          const char* s2);
-
-// The helper function for {ASSERT|EXPECT}_STRCASENE.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTRCASENE(const char* s1_expression,
-                                              const char* s2_expression,
-                                              const char* s1,
-                                              const char* s2);
-
-
-// Helper function for *_STREQ on wide strings.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTREQ(const char* expected_expression,
-                                          const char* actual_expression,
-                                          const wchar_t* expected,
-                                          const wchar_t* actual);
-
-// Helper function for *_STRNE on wide strings.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult CmpHelperSTRNE(const char* s1_expression,
-                                          const char* s2_expression,
-                                          const wchar_t* s1,
-                                          const wchar_t* s2);
-
-}  // namespace internal
-
-// IsSubstring() and IsNotSubstring() are intended to be used as the
-// first argument to {EXPECT,ASSERT}_PRED_FORMAT2(), not by
-// themselves.  They check whether needle is a substring of haystack
-// (NULL is considered a substring of itself only), and return an
-// appropriate error message when they fail.
-//
-// The {needle,haystack}_expr arguments are the stringified
-// expressions that generated the two real arguments.
-GTEST_API_ AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const char* needle, const char* haystack);
-GTEST_API_ AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const wchar_t* needle, const wchar_t* haystack);
-GTEST_API_ AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const char* needle, const char* haystack);
-GTEST_API_ AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const wchar_t* needle, const wchar_t* haystack);
-GTEST_API_ AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::string& needle, const ::std::string& haystack);
-GTEST_API_ AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::string& needle, const ::std::string& haystack);
-
-#if GTEST_HAS_STD_WSTRING
-GTEST_API_ AssertionResult IsSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::wstring& needle, const ::std::wstring& haystack);
-GTEST_API_ AssertionResult IsNotSubstring(
-    const char* needle_expr, const char* haystack_expr,
-    const ::std::wstring& needle, const ::std::wstring& haystack);
-#endif  // GTEST_HAS_STD_WSTRING
-
-namespace internal {
-
-// Helper template function for comparing floating-points.
-//
-// Template parameter:
-//
-//   RawType: the raw floating-point type (either float or double)
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-template <typename RawType>
-AssertionResult CmpHelperFloatingPointEQ(const char* expected_expression,
-                                         const char* actual_expression,
-                                         RawType expected,
-                                         RawType actual) {
-  const FloatingPoint<RawType> lhs(expected), rhs(actual);
-
-  if (lhs.AlmostEquals(rhs)) {
-    return AssertionSuccess();
-  }
-
-  ::std::stringstream expected_ss;
-  expected_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
-              << expected;
-
-  ::std::stringstream actual_ss;
-  actual_ss << std::setprecision(std::numeric_limits<RawType>::digits10 + 2)
-            << actual;
-
-  return EqFailure(expected_expression,
-                   actual_expression,
-                   StringStreamToString(&expected_ss),
-                   StringStreamToString(&actual_ss),
-                   false);
-}
-
-// Helper function for implementing ASSERT_NEAR.
-//
-// INTERNAL IMPLEMENTATION - DO NOT USE IN A USER PROGRAM.
-GTEST_API_ AssertionResult DoubleNearPredFormat(const char* expr1,
-                                                const char* expr2,
-                                                const char* abs_error_expr,
-                                                double val1,
-                                                double val2,
-                                                double abs_error);
-
-// INTERNAL IMPLEMENTATION - DO NOT USE IN USER CODE.
-// A class that enables one to stream messages to assertion macros
-class GTEST_API_ AssertHelper {
- public:
-  // Constructor.
-  AssertHelper(TestPartResult::Type type,
-               const char* file,
-               int line,
-               const char* message);
-  ~AssertHelper();
-
-  // Message assignment is a semantic trick to enable assertion
-  // streaming; see the GTEST_MESSAGE_ macro below.
-  void operator=(const Message& message) const;
-
- private:
-  // We put our data in a struct so that the size of the AssertHelper class can
-  // be as small as possible.  This is important because gcc is incapable of
-  // re-using stack space even for temporary variables, so every EXPECT_EQ
-  // reserves stack space for another AssertHelper.
-  struct AssertHelperData {
-    AssertHelperData(TestPartResult::Type t,
-                     const char* srcfile,
-                     int line_num,
-                     const char* msg)
-        : type(t), file(srcfile), line(line_num), message(msg) { }
-
-    TestPartResult::Type const type;
-    const char* const file;
-    int const line;
-    std::string const message;
-
-   private:
-    GTEST_DISALLOW_COPY_AND_ASSIGN_(AssertHelperData);
-  };
-
-  AssertHelperData* const data_;
-
-  GTEST_DISALLOW_COPY_AND_ASSIGN_(AssertHelper);
-};
-
-}  // namespace internal
-
-#if GTEST_HAS_PARAM_TEST
-// The pure interface class that all value-parameterized tests inherit from.
-// A value-parameterized class must inherit from both ::testing::Test and
-// ::testing::WithParamInterface. In most cases that just means inheriting
-// from ::testing::TestWithParam, but more complicated test hierarchies
-// may need to inherit from Test and WithParamInterface at different levels.
-//
-// This interface has support for accessing the test parameter value via
-// the GetParam() method.
-//
-// Use it with one of the parameter generator defining functions, like Range(),
-// Values(), ValuesIn(), Bool(), and Combine().
-//
-// class FooTest : public ::testing::TestWithParam<int> {
-//  protected:
-//   FooTest() {
-//     // Can use GetParam() here.
-//   }
-//   virtual ~FooTest() {
-//     // Can use GetParam() here.
-//   }
-//   virtual void SetUp() {
-//     // Can use GetParam() here.
-//   }
-//   virtual void TearDown {
-//     // Can use GetParam() here.
-//   }
-// };
-// TEST_P(FooTest, DoesBar) {
-//   // Can use GetParam() method here.
-//   Foo foo;
-//   ASSERT_TRUE(foo.DoesBar(GetParam()));
-// }
-// INSTANTIATE_TEST_CASE_P(OneToTenRange, FooTest, ::testing::Range(1, 10));
-
-template <typename T>
-class WithParamInterface {
- public:
-  typedef T ParamType;
-  virtual ~WithParamInterface() {}
-
-  // The current parameter value. Is also available in the test fixture's
-  // constructor. This member function is non-static, even though it only
-  // references static data, to reduce the opportunity for incorrect uses
-  // like writing 'WithParamInterface<bool>::GetParam()' for a test that
-  // uses a fixture whose parameter type is int.
-  const ParamType& GetParam() const {
-    GTEST_CHECK_(parameter_ != NULL)
-        << "GetParam() can only be called inside a value-parameterized test "
-        << "-- did you intend to write TEST_P instead of TEST_F?";
-    return *parameter_;
-  }
-
- private:
-  // Sets parameter value. The caller is responsible for making sure the value
-  // remains alive and unchanged throughout the current test.
-  static void SetParam(const ParamType* parameter) {
-    parameter_ = parameter;
-  }
-
-  // Static value used for accessing parameter during a test lifetime.
-  static const ParamType* parameter_;
-
-  // TestClass must be a subclass of WithParamInterface<T> and Test.
-  template <class TestClass> friend class internal::ParameterizedTestFactory;
-};
-
-template <typename T>
-const T* WithParamInterface<T>::parameter_ = NULL;
-
-// Most value-parameterized classes can ignore the existence of
-// WithParamInterface, and can just inherit from ::testing::TestWithParam.
-
-template <typename T>
-class TestWithParam : public Test, public WithParamInterface<T> {
-};
-
-#endif  // GTEST_HAS_PARAM_TEST
-
-// Macros for indicating success/failure in test code.
-
-// ADD_FAILURE unconditionally adds a failure to the current test.
-// SUCCEED generates a success - it doesn't automatically make the
-// current test successful, as a test is only successful when it has
-// no failure.
-//
-// EXPECT_* verifies that a certain condition is satisfied.  If not,
-// it behaves like ADD_FAILURE.  In particular:
-//
-//   EXPECT_TRUE  verifies that a Boolean condition is true.
-//   EXPECT_FALSE verifies that a Boolean condition is false.
-//
-// FAIL and ASSERT_* are similar to ADD_FAILURE and EXPECT_*, except
-// that they will also abort the current function on failure.  People
-// usually want the fail-fast behavior of FAIL and ASSERT_*, but those
-// writing data-driven tests often find themselves using ADD_FAILURE
-// and EXPECT_* more.
-
-// Generates a nonfatal failure with a generic message.
-#define ADD_FAILURE() GTEST_NONFATAL_FAILURE_("Failed")
-
-// Generates a nonfatal failure at the given source file location with
-// a generic message.
-#define ADD_FAILURE_AT(file, line) \
-  GTEST_MESSAGE_AT_(file, line, "Failed", \
-                    ::testing::TestPartResult::kNonFatalFailure)
-
-// Generates a fatal failure with a generic message.
-#define GTEST_FAIL() GTEST_FATAL_FAILURE_("Failed")
-
-// Define this macro to 1 to omit the definition of FAIL(), which is a
-// generic name and clashes with some other libraries.
-#if !GTEST_DONT_DEFINE_FAIL
-# define FAIL() GTEST_FAIL()
-#endif
-
-// Generates a success with a generic message.
-#define GTEST_SUCCEED() GTEST_SUCCESS_("Succeeded")
-
-// Define this macro to 1 to omit the definition of SUCCEED(), which
-// is a generic name and clashes with some other libraries.
-#if !GTEST_DONT_DEFINE_SUCCEED
-# define SUCCEED() GTEST_SUCCEED()
-#endif
-
-// Macros for testing exceptions.
-//
-//    * {ASSERT|EXPECT}_THROW(statement, expected_exception):
-//         Tests that the statement throws the expected exception.
-//    * {ASSERT|EXPECT}_NO_THROW(statement):
-//         Tests that the statement doesn't throw any exception.
-//    * {ASSERT|EXPECT}_ANY_THROW(statement):
-//         Tests that the statement throws an exception.
-
-#define EXPECT_THROW(statement, expected_exception) \
-  GTEST_TEST_THROW_(statement, expected_exception, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_NO_THROW(statement) \
-  GTEST_TEST_NO_THROW_(statement, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_ANY_THROW(statement) \
-  GTEST_TEST_ANY_THROW_(statement, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_THROW(statement, expected_exception) \
-  GTEST_TEST_THROW_(statement, expected_exception, GTEST_FATAL_FAILURE_)
-#define ASSERT_NO_THROW(statement) \
-  GTEST_TEST_NO_THROW_(statement, GTEST_FATAL_FAILURE_)
-#define ASSERT_ANY_THROW(statement) \
-  GTEST_TEST_ANY_THROW_(statement, GTEST_FATAL_FAILURE_)
-
-// Boolean assertions. Condition can be either a Boolean expression or an
-// AssertionResult. For more information on how to use AssertionResult with
-// these macros see comments on that class.
-#define EXPECT_TRUE(condition) \
-  GTEST_TEST_BOOLEAN_(condition, #condition, false, true, \
-                      GTEST_NONFATAL_FAILURE_)
-#define EXPECT_FALSE(condition) \
-  GTEST_TEST_BOOLEAN_(!(condition), #condition, true, false, \
-                      GTEST_NONFATAL_FAILURE_)
-#define ASSERT_TRUE(condition) \
-  GTEST_TEST_BOOLEAN_(condition, #condition, false, true, \
-                      GTEST_FATAL_FAILURE_)
-#define ASSERT_FALSE(condition) \
-  GTEST_TEST_BOOLEAN_(!(condition), #condition, true, false, \
-                      GTEST_FATAL_FAILURE_)
-
-// Includes the auto-generated header that implements a family of
-// generic predicate assertion macros.
-// Copyright 2006, Google Inc.
-// All rights reserved.
-//
-// Redistribution and use in source and binary forms, with or without
-// modification, are permitted provided that the following conditions are
-// met:
-//
-//     * Redistributions of source code must retain the above copyright
-// notice, this list of conditions and the following disclaimer.
-//     * Redistributions in binary form must reproduce the above
-// copyright notice, this list of conditions and the following disclaimer
-// in the documentation and/or other materials provided with the
-// distribution.
-//     * Neither the name of Google Inc. nor the names of its
-// contributors may be used to endorse or promote products derived from
-// this software without specific prior written permission.
-//
-// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
-// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
-// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
-// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
-// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
-// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
-// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
-// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
-// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
-// OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-
-// This file is AUTOMATICALLY GENERATED on 10/31/2011 by command
-// 'gen_gtest_pred_impl.py 5'.  DO NOT EDIT BY HAND!
-//
-// Implements a family of generic predicate assertion macros.
-
-#ifndef GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
-#define GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
-
-// Makes sure this header is not included before gtest.h.
-#ifndef GTEST_INCLUDE_GTEST_GTEST_H_
-# error Do not include gtest_pred_impl.h directly.  Include gtest.h instead.
-#endif  // GTEST_INCLUDE_GTEST_GTEST_H_
-
-// This header implements a family of generic predicate assertion
-// macros:
-//
-//   ASSERT_PRED_FORMAT1(pred_format, v1)
-//   ASSERT_PRED_FORMAT2(pred_format, v1, v2)
-//   ...
-//
-// where pred_format is a function or functor that takes n (in the
-// case of ASSERT_PRED_FORMATn) values and their source expression
-// text, and returns a testing::AssertionResult.  See the definition
-// of ASSERT_EQ in gtest.h for an example.
-//
-// If you don't care about formatting, you can use the more
-// restrictive version:
-//
-//   ASSERT_PRED1(pred, v1)
-//   ASSERT_PRED2(pred, v1, v2)
-//   ...
-//
-// where pred is an n-ary function or functor that returns bool,
-// and the values v1, v2, ..., must support the << operator for
-// streaming to std::ostream.
-//
-// We also define the EXPECT_* variations.
-//
-// For now we only support predicates whose arity is at most 5.
-// Please email googletestframework@googlegroups.com if you need
-// support for higher arities.
-
-// GTEST_ASSERT_ is the basic statement to which all of the assertions
-// in this file reduce.  Don't use this in your code.
-
-#define GTEST_ASSERT_(expression, on_failure) \
-  GTEST_AMBIGUOUS_ELSE_BLOCKER_ \
-  if (const ::testing::AssertionResult gtest_ar = (expression)) \
-    ; \
-  else \
-    on_failure(gtest_ar.failure_message())
-
-
-// Helper function for implementing {EXPECT|ASSERT}_PRED1.  Don't use
-// this in your code.
-template <typename Pred,
-          typename T1>
-AssertionResult AssertPred1Helper(const char* pred_text,
-                                  const char* e1,
-                                  Pred pred,
-                                  const T1& v1) {
-  if (pred(v1)) return AssertionSuccess();
-
-  return AssertionFailure() << pred_text << "("
-                            << e1 << ") evaluates to false, where"
-                            << "\n" << e1 << " evaluates to " << v1;
-}
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT1.
-// Don't use this in your code.
-#define GTEST_PRED_FORMAT1_(pred_format, v1, on_failure)\
-  GTEST_ASSERT_(pred_format(#v1, v1), \
-                on_failure)
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED1.  Don't use
-// this in your code.
-#define GTEST_PRED1_(pred, v1, on_failure)\
-  GTEST_ASSERT_(::testing::AssertPred1Helper(#pred, \
-                                             #v1, \
-                                             pred, \
-                                             v1), on_failure)
-
-// Unary predicate assertion macros.
-#define EXPECT_PRED_FORMAT1(pred_format, v1) \
-  GTEST_PRED_FORMAT1_(pred_format, v1, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_PRED1(pred, v1) \
-  GTEST_PRED1_(pred, v1, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_PRED_FORMAT1(pred_format, v1) \
-  GTEST_PRED_FORMAT1_(pred_format, v1, GTEST_FATAL_FAILURE_)
-#define ASSERT_PRED1(pred, v1) \
-  GTEST_PRED1_(pred, v1, GTEST_FATAL_FAILURE_)
-
-
-
-// Helper function for implementing {EXPECT|ASSERT}_PRED2.  Don't use
-// this in your code.
-template <typename Pred,
-          typename T1,
-          typename T2>
-AssertionResult AssertPred2Helper(const char* pred_text,
-                                  const char* e1,
-                                  const char* e2,
-                                  Pred pred,
-                                  const T1& v1,
-                                  const T2& v2) {
-  if (pred(v1, v2)) return AssertionSuccess();
-
-  return AssertionFailure() << pred_text << "("
-                            << e1 << ", "
-                            << e2 << ") evaluates to false, where"
-                            << "\n" << e1 << " evaluates to " << v1
-                            << "\n" << e2 << " evaluates to " << v2;
-}
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT2.
-// Don't use this in your code.
-#define GTEST_PRED_FORMAT2_(pred_format, v1, v2, on_failure)\
-  GTEST_ASSERT_(pred_format(#v1, #v2, v1, v2), \
-                on_failure)
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED2.  Don't use
-// this in your code.
-#define GTEST_PRED2_(pred, v1, v2, on_failure)\
-  GTEST_ASSERT_(::testing::AssertPred2Helper(#pred, \
-                                             #v1, \
-                                             #v2, \
-                                             pred, \
-                                             v1, \
-                                             v2), on_failure)
-
-// Binary predicate assertion macros.
-#define EXPECT_PRED_FORMAT2(pred_format, v1, v2) \
-  GTEST_PRED_FORMAT2_(pred_format, v1, v2, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_PRED2(pred, v1, v2) \
-  GTEST_PRED2_(pred, v1, v2, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_PRED_FORMAT2(pred_format, v1, v2) \
-  GTEST_PRED_FORMAT2_(pred_format, v1, v2, GTEST_FATAL_FAILURE_)
-#define ASSERT_PRED2(pred, v1, v2) \
-  GTEST_PRED2_(pred, v1, v2, GTEST_FATAL_FAILURE_)
-
-
-
-// Helper function for implementing {EXPECT|ASSERT}_PRED3.  Don't use
-// this in your code.
-template <typename Pred,
-          typename T1,
-          typename T2,
-          typename T3>
-AssertionResult AssertPred3Helper(const char* pred_text,
-                                  const char* e1,
-                                  const char* e2,
-                                  const char* e3,
-                                  Pred pred,
-                                  const T1& v1,
-                                  const T2& v2,
-                                  const T3& v3) {
-  if (pred(v1, v2, v3)) return AssertionSuccess();
-
-  return AssertionFailure() << pred_text << "("
-                            << e1 << ", "
-                            << e2 << ", "
-                            << e3 << ") evaluates to false, where"
-                            << "\n" << e1 << " evaluates to " << v1
-                            << "\n" << e2 << " evaluates to " << v2
-                            << "\n" << e3 << " evaluates to " << v3;
-}
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT3.
-// Don't use this in your code.
-#define GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, on_failure)\
-  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, v1, v2, v3), \
-                on_failure)
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED3.  Don't use
-// this in your code.
-#define GTEST_PRED3_(pred, v1, v2, v3, on_failure)\
-  GTEST_ASSERT_(::testing::AssertPred3Helper(#pred, \
-                                             #v1, \
-                                             #v2, \
-                                             #v3, \
-                                             pred, \
-                                             v1, \
-                                             v2, \
-                                             v3), on_failure)
-
-// Ternary predicate assertion macros.
-#define EXPECT_PRED_FORMAT3(pred_format, v1, v2, v3) \
-  GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_PRED3(pred, v1, v2, v3) \
-  GTEST_PRED3_(pred, v1, v2, v3, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_PRED_FORMAT3(pred_format, v1, v2, v3) \
-  GTEST_PRED_FORMAT3_(pred_format, v1, v2, v3, GTEST_FATAL_FAILURE_)
-#define ASSERT_PRED3(pred, v1, v2, v3) \
-  GTEST_PRED3_(pred, v1, v2, v3, GTEST_FATAL_FAILURE_)
-
-
-
-// Helper function for implementing {EXPECT|ASSERT}_PRED4.  Don't use
-// this in your code.
-template <typename Pred,
-          typename T1,
-          typename T2,
-          typename T3,
-          typename T4>
-AssertionResult AssertPred4Helper(const char* pred_text,
-                                  const char* e1,
-                                  const char* e2,
-                                  const char* e3,
-                                  const char* e4,
-                                  Pred pred,
-                                  const T1& v1,
-                                  const T2& v2,
-                                  const T3& v3,
-                                  const T4& v4) {
-  if (pred(v1, v2, v3, v4)) return AssertionSuccess();
-
-  return AssertionFailure() << pred_text << "("
-                            << e1 << ", "
-                            << e2 << ", "
-                            << e3 << ", "
-                            << e4 << ") evaluates to false, where"
-                            << "\n" << e1 << " evaluates to " << v1
-                            << "\n" << e2 << " evaluates to " << v2
-                            << "\n" << e3 << " evaluates to " << v3
-                            << "\n" << e4 << " evaluates to " << v4;
-}
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT4.
-// Don't use this in your code.
-#define GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, on_failure)\
-  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, #v4, v1, v2, v3, v4), \
-                on_failure)
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED4.  Don't use
-// this in your code.
-#define GTEST_PRED4_(pred, v1, v2, v3, v4, on_failure)\
-  GTEST_ASSERT_(::testing::AssertPred4Helper(#pred, \
-                                             #v1, \
-                                             #v2, \
-                                             #v3, \
-                                             #v4, \
-                                             pred, \
-                                             v1, \
-                                             v2, \
-                                             v3, \
-                                             v4), on_failure)
-
-// 4-ary predicate assertion macros.
-#define EXPECT_PRED_FORMAT4(pred_format, v1, v2, v3, v4) \
-  GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_PRED4(pred, v1, v2, v3, v4) \
-  GTEST_PRED4_(pred, v1, v2, v3, v4, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_PRED_FORMAT4(pred_format, v1, v2, v3, v4) \
-  GTEST_PRED_FORMAT4_(pred_format, v1, v2, v3, v4, GTEST_FATAL_FAILURE_)
-#define ASSERT_PRED4(pred, v1, v2, v3, v4) \
-  GTEST_PRED4_(pred, v1, v2, v3, v4, GTEST_FATAL_FAILURE_)
-
-
-
-// Helper function for implementing {EXPECT|ASSERT}_PRED5.  Don't use
-// this in your code.
-template <typename Pred,
-          typename T1,
-          typename T2,
-          typename T3,
-          typename T4,
-          typename T5>
-AssertionResult AssertPred5Helper(const char* pred_text,
-                                  const char* e1,
-                                  const char* e2,
-                                  const char* e3,
-                                  const char* e4,
-                                  const char* e5,
-                                  Pred pred,
-                                  const T1& v1,
-                                  const T2& v2,
-                                  const T3& v3,
-                                  const T4& v4,
-                                  const T5& v5) {
-  if (pred(v1, v2, v3, v4, v5)) return AssertionSuccess();
-
-  return AssertionFailure() << pred_text << "("
-                            << e1 << ", "
-                            << e2 << ", "
-                            << e3 << ", "
-                            << e4 << ", "
-                            << e5 << ") evaluates to false, where"
-                            << "\n" << e1 << " evaluates to " << v1
-                            << "\n" << e2 << " evaluates to " << v2
-                            << "\n" << e3 << " evaluates to " << v3
-                            << "\n" << e4 << " evaluates to " << v4
-                            << "\n" << e5 << " evaluates to " << v5;
-}
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED_FORMAT5.
-// Don't use this in your code.
-#define GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, on_failure)\
-  GTEST_ASSERT_(pred_format(#v1, #v2, #v3, #v4, #v5, v1, v2, v3, v4, v5), \
-                on_failure)
-
-// Internal macro for implementing {EXPECT|ASSERT}_PRED5.  Don't use
-// this in your code.
-#define GTEST_PRED5_(pred, v1, v2, v3, v4, v5, on_failure)\
-  GTEST_ASSERT_(::testing::AssertPred5Helper(#pred, \
-                                             #v1, \
-                                             #v2, \
-                                             #v3, \
-                                             #v4, \
-                                             #v5, \
-                                             pred, \
-                                             v1, \
-                                             v2, \
-                                             v3, \
-                                             v4, \
-                                             v5), on_failure)
-
-// 5-ary predicate assertion macros.
-#define EXPECT_PRED_FORMAT5(pred_format, v1, v2, v3, v4, v5) \
-  GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, GTEST_NONFATAL_FAILURE_)
-#define EXPECT_PRED5(pred, v1, v2, v3, v4, v5) \
-  GTEST_PRED5_(pred, v1, v2, v3, v4, v5, GTEST_NONFATAL_FAILURE_)
-#define ASSERT_PRED_FORMAT5(pred_format, v1, v2, v3, v4, v5) \
-  GTEST_PRED_FORMAT5_(pred_format, v1, v2, v3, v4, v5, GTEST_FATAL_FAILURE_)
-#define ASSERT_PRED5(pred, v1, v2, v3, v4, v5) \
-  GTEST_PRED5_(pred, v1, v2, v3, v4, v5, GTEST_FATAL_FAILURE_)
-
-
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_PRED_IMPL_H_
-
-// Macros for testing equalities and inequalities.
-//
-//    * {ASSERT|EXPECT}_EQ(expected, actual): Tests that expected == actual
-//    * {ASSERT|EXPECT}_NE(v1, v2):           Tests that v1 != v2
-//    * {ASSERT|EXPECT}_LT(v1, v2):           Tests that v1 < v2
-//    * {ASSERT|EXPECT}_LE(v1, v2):           Tests that v1 <= v2
-//    * {ASSERT|EXPECT}_GT(v1, v2):           Tests that v1 > v2
-//    * {ASSERT|EXPECT}_GE(v1, v2):           Tests that v1 >= v2
-//
-// When they are not, Google Test prints both the tested expressions and
-// their actual values.  The values must be compatible built-in types,
-// or you will get a compiler error.  By "compatible" we mean that the
-// values can be compared by the respective operator.
-//
-// Note:
-//
-//   1. It is possible to make a user-defined type work with
-//   {ASSERT|EXPECT}_??(), but that requires overloading the
-//   comparison operators and is thus discouraged by the Google C++
-//   Usage Guide.  Therefore, you are advised to use the
-//   {ASSERT|EXPECT}_TRUE() macro to assert that two objects are
-//   equal.
-//
-//   2. The {ASSERT|EXPECT}_??() macros do pointer comparisons on
-//   pointers (in particular, C strings).  Therefore, if you use it
-//   with two C strings, you are testing how their locations in memory
-//   are related, not how their content is related.  To compare two C
-//   strings by content, use {ASSERT|EXPECT}_STR*().
-//
-//   3. {ASSERT|EXPECT}_EQ(expected, actual) is preferred to
-//   {ASSERT|EXPECT}_TRUE(expected == actual), as the former tells you
-//   what the actual value is when it fails, and similarly for the
-//   other comparisons.
-//
-//   4. Do not depend on the order in which {ASSERT|EXPECT}_??()
-//   evaluate their arguments, which is undefined.
-//
-//   5. These macros evaluate their arguments exactly once.
-//
-// Examples:
-//
-//   EXPECT_NE(5, Foo());
-//   EXPECT_EQ(NULL, a_pointer);
-//   ASSERT_LT(i, array_size);
-//   ASSERT_GT(records.size(), 0) << "There is no record left.";
-
-#define EXPECT_EQ(expected, actual) \
-  EXPECT_PRED_FORMAT2(::testing::internal:: \
-                      EqHelper<GTEST_IS_NULL_LITERAL_(expected)>::Compare, \
-                      expected, actual)
-#define EXPECT_NE(expected, actual) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperNE, expected, actual)
-#define EXPECT_LE(val1, val2) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperLE, val1, val2)
-#define EXPECT_LT(val1, val2) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperLT, val1, val2)
-#define EXPECT_GE(val1, val2) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperGE, val1, val2)
-#define EXPECT_GT(val1, val2) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperGT, val1, val2)
-
-#define GTEST_ASSERT_EQ(expected, actual) \
-  ASSERT_PRED_FORMAT2(::testing::internal:: \
-                      EqHelper<GTEST_IS_NULL_LITERAL_(expected)>::Compare, \
-                      expected, actual)
-#define GTEST_ASSERT_NE(val1, val2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperNE, val1, val2)
-#define GTEST_ASSERT_LE(val1, val2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperLE, val1, val2)
-#define GTEST_ASSERT_LT(val1, val2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperLT, val1, val2)
-#define GTEST_ASSERT_GE(val1, val2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperGE, val1, val2)
-#define GTEST_ASSERT_GT(val1, val2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperGT, val1, val2)
-
-// Define macro GTEST_DONT_DEFINE_ASSERT_XY to 1 to omit the definition of
-// ASSERT_XY(), which clashes with some users' own code.
-
-#if !GTEST_DONT_DEFINE_ASSERT_EQ
-# define ASSERT_EQ(val1, val2) GTEST_ASSERT_EQ(val1, val2)
-#endif
-
-#if !GTEST_DONT_DEFINE_ASSERT_NE
-# define ASSERT_NE(val1, val2) GTEST_ASSERT_NE(val1, val2)
-#endif
-
-#if !GTEST_DONT_DEFINE_ASSERT_LE
-# define ASSERT_LE(val1, val2) GTEST_ASSERT_LE(val1, val2)
-#endif
-
-#if !GTEST_DONT_DEFINE_ASSERT_LT
-# define ASSERT_LT(val1, val2) GTEST_ASSERT_LT(val1, val2)
-#endif
-
-#if !GTEST_DONT_DEFINE_ASSERT_GE
-# define ASSERT_GE(val1, val2) GTEST_ASSERT_GE(val1, val2)
-#endif
-
-#if !GTEST_DONT_DEFINE_ASSERT_GT
-# define ASSERT_GT(val1, val2) GTEST_ASSERT_GT(val1, val2)
-#endif
-
-// C-string Comparisons.  All tests treat NULL and any non-NULL string
-// as different.  Two NULLs are equal.
-//
-//    * {ASSERT|EXPECT}_STREQ(s1, s2):     Tests that s1 == s2
-//    * {ASSERT|EXPECT}_STRNE(s1, s2):     Tests that s1 != s2
-//    * {ASSERT|EXPECT}_STRCASEEQ(s1, s2): Tests that s1 == s2, ignoring case
-//    * {ASSERT|EXPECT}_STRCASENE(s1, s2): Tests that s1 != s2, ignoring case
-//
-// For wide or narrow string objects, you can use the
-// {ASSERT|EXPECT}_??() macros.
-//
-// Don't depend on the order in which the arguments are evaluated,
-// which is undefined.
-//
-// These macros evaluate their arguments exactly once.
-
-#define EXPECT_STREQ(expected, actual) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTREQ, expected, actual)
-#define EXPECT_STRNE(s1, s2) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRNE, s1, s2)
-#define EXPECT_STRCASEEQ(expected, actual) \
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASEEQ, expected, actual)
-#define EXPECT_STRCASENE(s1, s2)\
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASENE, s1, s2)
-
-#define ASSERT_STREQ(expected, actual) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTREQ, expected, actual)
-#define ASSERT_STRNE(s1, s2) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRNE, s1, s2)
-#define ASSERT_STRCASEEQ(expected, actual) \
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASEEQ, expected, actual)
-#define ASSERT_STRCASENE(s1, s2)\
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperSTRCASENE, s1, s2)
-
-// Macros for comparing floating-point numbers.
-//
-//    * {ASSERT|EXPECT}_FLOAT_EQ(expected, actual):
-//         Tests that two float values are almost equal.
-//    * {ASSERT|EXPECT}_DOUBLE_EQ(expected, actual):
-//         Tests that two double values are almost equal.
-//    * {ASSERT|EXPECT}_NEAR(v1, v2, abs_error):
-//         Tests that v1 and v2 are within the given distance to each other.
-//
-// Google Test uses ULP-based comparison to automatically pick a default
-// error bound that is appropriate for the operands.  See the
-// FloatingPoint template class in gtest-internal.h if you are
-// interested in the implementation details.
-
-#define EXPECT_FLOAT_EQ(expected, actual)\
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<float>, \
-                      expected, actual)
-
-#define EXPECT_DOUBLE_EQ(expected, actual)\
-  EXPECT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<double>, \
-                      expected, actual)
-
-#define ASSERT_FLOAT_EQ(expected, actual)\
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<float>, \
-                      expected, actual)
-
-#define ASSERT_DOUBLE_EQ(expected, actual)\
-  ASSERT_PRED_FORMAT2(::testing::internal::CmpHelperFloatingPointEQ<double>, \
-                      expected, actual)
-
-#define EXPECT_NEAR(val1, val2, abs_error)\
-  EXPECT_PRED_FORMAT3(::testing::internal::DoubleNearPredFormat, \
-                      val1, val2, abs_error)
-
-#define ASSERT_NEAR(val1, val2, abs_error)\
-  ASSERT_PRED_FORMAT3(::testing::internal::DoubleNearPredFormat, \
-                      val1, val2, abs_error)
-
-// These predicate format functions work on floating-point values, and
-// can be used in {ASSERT|EXPECT}_PRED_FORMAT2*(), e.g.
-//
-//   EXPECT_PRED_FORMAT2(testing::DoubleLE, Foo(), 5.0);
-
-// Asserts that val1 is less than, or almost equal to, val2.  Fails
-// otherwise.  In particular, it fails if either val1 or val2 is NaN.
-GTEST_API_ AssertionResult FloatLE(const char* expr1, const char* expr2,
-                                   float val1, float val2);
-GTEST_API_ AssertionResult DoubleLE(const char* expr1, const char* expr2,
-                                    double val1, double val2);
-
-
-#if GTEST_OS_WINDOWS
-
-// Macros that test for HRESULT failure and success, these are only useful
-// on Windows, and rely on Windows SDK macros and APIs to compile.
-//
-//    * {ASSERT|EXPECT}_HRESULT_{SUCCEEDED|FAILED}(expr)
-//
-// When expr unexpectedly fails or succeeds, Google Test prints the
-// expected result and the actual result with both a human-readable
-// string representation of the error, if available, as well as the
-// hex result code.
-# define EXPECT_HRESULT_SUCCEEDED(expr) \
-    EXPECT_PRED_FORMAT1(::testing::internal::IsHRESULTSuccess, (expr))
-
-# define ASSERT_HRESULT_SUCCEEDED(expr) \
-    ASSERT_PRED_FORMAT1(::testing::internal::IsHRESULTSuccess, (expr))
-
-# define EXPECT_HRESULT_FAILED(expr) \
-    EXPECT_PRED_FORMAT1(::testing::internal::IsHRESULTFailure, (expr))
-
-# define ASSERT_HRESULT_FAILED(expr) \
-    ASSERT_PRED_FORMAT1(::testing::internal::IsHRESULTFailure, (expr))
-
-#endif  // GTEST_OS_WINDOWS
-
-// Macros that execute statement and check that it doesn't generate new fatal
-// failures in the current thread.
-//
-//   * {ASSERT|EXPECT}_NO_FATAL_FAILURE(statement);
-//
-// Examples:
-//
-//   EXPECT_NO_FATAL_FAILURE(Process());
-//   ASSERT_NO_FATAL_FAILURE(Process()) << "Process() failed";
-//
-#define ASSERT_NO_FATAL_FAILURE(statement) \
-    GTEST_TEST_NO_FATAL_FAILURE_(statement, GTEST_FATAL_FAILURE_)
-#define EXPECT_NO_FATAL_FAILURE(statement) \
-    GTEST_TEST_NO_FATAL_FAILURE_(statement, GTEST_NONFATAL_FAILURE_)
-
-// Causes a trace (including the source file path, the current line
-// number, and the given message) to be included in every test failure
-// message generated by code in the current scope.  The effect is
-// undone when the control leaves the current scope.
-//
-// The message argument can be anything streamable to std::ostream.
-//
-// In the implementation, we include the current line number as part
-// of the dummy variable name, thus allowing multiple SCOPED_TRACE()s
-// to appear in the same block - as long as they are on different
-// lines.
-#define SCOPED_TRACE(message) \
-  ::testing::internal::ScopedTrace GTEST_CONCAT_TOKEN_(gtest_trace_, __LINE__)(\
-    __FILE__, __LINE__, ::testing::Message() << (message))
-
-// Compile-time assertion for type equality.
-// StaticAssertTypeEq<type1, type2>() compiles iff type1 and type2 are
-// the same type.  The value it returns is not interesting.
-//
-// Instead of making StaticAssertTypeEq a class template, we make it a
-// function template that invokes a helper class template.  This
-// prevents a user from misusing StaticAssertTypeEq<T1, T2> by
-// defining objects of that type.
-//
-// CAVEAT:
-//
-// When used inside a method of a class template,
-// StaticAssertTypeEq<T1, T2>() is effective ONLY IF the method is
-// instantiated.  For example, given:
-//
-//   template <typename T> class Foo {
-//    public:
-//     void Bar() { testing::StaticAssertTypeEq<int, T>(); }
-//   };
-//
-// the code:
-//
-//   void Test1() { Foo<bool> foo; }
-//
-// will NOT generate a compiler error, as Foo<bool>::Bar() is never
-// actually instantiated.  Instead, you need:
-//
-//   void Test2() { Foo<bool> foo; foo.Bar(); }
-//
-// to cause a compiler error.
-template <typename T1, typename T2>
-bool StaticAssertTypeEq() {
-  (void)internal::StaticAssertTypeEqHelper<T1, T2>();
-  return true;
-}
-
-// Defines a test.
-//
-// The first parameter is the name of the test case, and the second
-// parameter is the name of the test within the test case.
-//
-// The convention is to end the test case name with "Test".  For
-// example, a test case for the Foo class can be named FooTest.
-//
-// The user should put his test code between braces after using this
-// macro.  Example:
-//
-//   TEST(FooTest, InitializesCorrectly) {
-//     Foo foo;
-//     EXPECT_TRUE(foo.StatusIsOK());
-//   }
-
-// Note that we call GetTestTypeId() instead of GetTypeId<
-// ::testing::Test>() here to get the type ID of testing::Test.  This
-// is to work around a suspected linker bug when using Google Test as
-// a framework on Mac OS X.  The bug causes GetTypeId<
-// ::testing::Test>() to return different values depending on whether
-// the call is from the Google Test framework itself or from user test
-// code.  GetTestTypeId() is guaranteed to always return the same
-// value, as it always calls GetTypeId<>() from the Google Test
-// framework.
-#define GTEST_TEST(test_case_name, test_name)\
-  GTEST_TEST_(test_case_name, test_name, \
-              ::testing::Test, ::testing::internal::GetTestTypeId())
-
-// Define this macro to 1 to omit the definition of TEST(), which
-// is a generic name and clashes with some other libraries.
-#if !GTEST_DONT_DEFINE_TEST
-# define TEST(test_case_name, test_name) GTEST_TEST(test_case_name, test_name)
-#endif
-
-// Defines a test that uses a test fixture.
-//
-// The first parameter is the name of the test fixture class, which
-// also doubles as the test case name.  The second parameter is the
-// name of the test within the test case.
-//
-// A test fixture class must be declared earlier.  The user should put
-// his test code between braces after using this macro.  Example:
-//
-//   class FooTest : public testing::Test {
-//    protected:
-//     virtual void SetUp() { b_.AddElement(3); }
-//
-//     Foo a_;
-//     Foo b_;
-//   };
-//
-//   TEST_F(FooTest, InitializesCorrectly) {
-//     EXPECT_TRUE(a_.StatusIsOK());
-//   }
-//
-//   TEST_F(FooTest, ReturnsElementCountCorrectly) {
-//     EXPECT_EQ(0, a_.size());
-//     EXPECT_EQ(1, b_.size());
-//   }
-
-#define TEST_F(test_fixture, test_name)\
-  GTEST_TEST_(test_fixture, test_name, test_fixture, \
-              ::testing::internal::GetTypeId<test_fixture>())
-
-}  // namespace testing
-
-// Use this function in main() to run all tests.  It returns 0 if all
-// tests are successful, or 1 otherwise.
-//
-// RUN_ALL_TESTS() should be invoked after the command line has been
-// parsed by InitGoogleTest().
-//
-// This function was formerly a macro; thus, it is in the global
-// namespace and has an all-caps name.
-int RUN_ALL_TESTS() GTEST_MUST_USE_RESULT_;
-
-inline int RUN_ALL_TESTS() {
-  return ::testing::UnitTest::GetInstance()->Run();
-}
-
-#endif  // GTEST_INCLUDE_GTEST_GTEST_H_

From c22c6e4d34a60cc6bd1f69f268f6ac2cc1573d8f Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Mon, 12 Nov 2018 15:30:14 -0700
Subject: [PATCH 102/273] Add LAMMPS changes to Kokkos Makefile

---
 lib/kokkos/Makefile.kokkos | 12 +++++++++---
 1 file changed, 9 insertions(+), 3 deletions(-)

diff --git a/lib/kokkos/Makefile.kokkos b/lib/kokkos/Makefile.kokkos
index 05f3cf7811..84ce007639 100644
--- a/lib/kokkos/Makefile.kokkos
+++ b/lib/kokkos/Makefile.kokkos
@@ -1,8 +1,14 @@
 # Default settings common options.
 
+#LAMMPS specific settings:
+ifndef KOKKOS_PATH
+  KOKKOS_PATH=../../lib/kokkos
+endif
+CXXFLAGS=$(CCFLAGS)
+
 # Options: Cuda,ROCm,OpenMP,Pthread,Qthreads,Serial
-#KOKKOS_DEVICES ?= "OpenMP"
-KOKKOS_DEVICES ?= "Pthread"
+KOKKOS_DEVICES ?= "OpenMP"
+#KOKKOS_DEVICES ?= "Pthread"
 # Options: 
 # Intel:    KNC,KNL,SNB,HSW,BDW,SKX
 # NVIDIA:   Kepler,Kepler30,Kepler32,Kepler35,Kepler37,Maxwell,Maxwell50,Maxwell52,Maxwell53,Pascal60,Pascal61,Volta70,Volta72
@@ -25,7 +31,7 @@ KOKKOS_CMAKE ?= "no"
 
 # Default settings specific options.
 # Options: force_uvm,use_ldg,rdc,enable_lambda
-KOKKOS_CUDA_OPTIONS ?= ""
+KOKKOS_CUDA_OPTIONS ?= "enable_lambda"
 
 # Return a 1 if a string contains a substring and 0 if not
 # Note the search string should be without '"'

From 2b96dfd6cceb772b3d88a133d35075ee37dc5d6d Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Mon, 12 Nov 2018 15:49:31 -0700
Subject: [PATCH 103/273] Remove deprecated Kokkos code

---
 src/KOKKOS/verlet_kokkos.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/KOKKOS/verlet_kokkos.cpp b/src/KOKKOS/verlet_kokkos.cpp
index f56e6015d0..d75a7e491f 100644
--- a/src/KOKKOS/verlet_kokkos.cpp
+++ b/src/KOKKOS/verlet_kokkos.cpp
@@ -537,7 +537,7 @@ void VerletKokkos::run(int n)
       Kokkos::deep_copy(LMPHostType(),f_merge_copy,atomKK->k_f.h_view);
       Kokkos::parallel_for(atomKK->k_f.extent(0),
         ForceAdder<DAT::t_f_array,DAT::t_f_array>(atomKK->k_f.d_view,f_merge_copy));
-      atomKK->k_f.modified_host() = 0; // special case
+      atomKK->k_f.clear_sync_state(); // special case
       atomKK->k_f.modify<LMPDeviceType>();
     }
 
@@ -585,8 +585,8 @@ void VerletKokkos::force_clear()
 {
   if (external_force_clear) return;
 
-  atomKK->k_f.modified_host() = 0; // ignore host forces/torques since device views
-  atomKK->k_torque.modified_host() = 0; //   will be cleared below
+  atomKK->k_f.clear_sync_state(); // ignore host forces/torques since device views
+  atomKK->k_torque.clear_sync_state(); //   will be cleared below
 
   // clear force on all particles
   // if either newton flag is set, also include ghosts

From 0ca02b6f41029dd9d2ab047b0510154a56665687 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Mon, 12 Nov 2018 17:23:15 -0700
Subject: [PATCH 104/273] added new commands to doc pages, fixed a few missing
 entries as well

---
 doc/src/Commands_all.txt         | 1 +
 doc/src/Commands_fix.txt         | 7 +++++--
 doc/src/commands_list.txt        | 1 +
 doc/src/compute.txt              | 1 +
 doc/src/fix.txt                  | 4 ++++
 doc/src/fixes.txt                | 2 ++
 doc/src/lammps.book              | 3 +++
 src/REPLICA/fix_event_hyper.cpp  | 4 ++--
 src/REPLICA/fix_hyper.cpp        | 2 +-
 src/REPLICA/fix_hyper_global.cpp | 6 +++---
 src/REPLICA/fix_hyper_local.cpp  | 8 ++++----
 src/REPLICA/hyper.cpp            | 6 +++---
 12 files changed, 30 insertions(+), 15 deletions(-)

diff --git a/doc/src/Commands_all.txt b/doc/src/Commands_all.txt
index 6f54681342..c0b8c4516d 100644
--- a/doc/src/Commands_all.txt
+++ b/doc/src/Commands_all.txt
@@ -59,6 +59,7 @@ An alphabetic list of all LAMMPS commands.
 "fix_modify"_fix_modify.html,
 "group"_group.html,
 "group2ndx"_group2ndx.html,
+"hyper"_hyper.html,
 "if"_if.html,
 "info"_info.html,
 "improper_coeff"_improper_coeff.html,
diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 77684390bd..6d8f67b503 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -78,6 +78,8 @@ OPT.
 "grem"_fix_grem.html,
 "halt"_fix_halt.html,
 "heat"_fix_heat.html,
+"hyper/global"_fix_hyper_global.html,
+"hyper/local"_fix_hyper_local.html,
 "imd"_fix_imd.html,
 "indent"_fix_indent.html,
 "ipi"_fix_ipi.html,
@@ -108,7 +110,7 @@ OPT.
 "nph/asphere (o)"_fix_nph_asphere.html,
 "nph/body"_fix_nph_body.html,
 "nph/eff"_fix_nh_eff.html,
-"nph/sphere (ko)"_fix_nph_sphere.html,
+"nph/sphere (o)"_fix_nph_sphere.html,
 "nphug (o)"_fix_nphug.html,
 "npt (iko)"_fix_nh.html,
 "npt/asphere (o)"_fix_npt_asphere.html,
@@ -128,7 +130,7 @@ OPT.
 "nve/line"_fix_nve_line.html,
 "nve/manifold/rattle"_fix_nve_manifold_rattle.html,
 "nve/noforce"_fix_nve_noforce.html,
-"nve/sphere (o)"_fix_nve_sphere.html,
+"nve/sphere (ko)"_fix_nve_sphere.html,
 "nve/spin"_fix_nve_spin.html,
 "nve/tri"_fix_nve_tri.html,
 "nvk"_fix_nvk.html,
@@ -147,6 +149,7 @@ OPT.
 "phonon"_fix_phonon.html,
 "pimd"_fix_pimd.html,
 "planeforce"_fix_planeforce.html,
+"plumed"_fix_plumed.html,
 "poems"_fix_poems.html,
 "pour"_fix_pour.html,
 "precession/spin"_fix_precession_spin.html,
diff --git a/doc/src/commands_list.txt b/doc/src/commands_list.txt
index db3ef36ddf..78fa9fbf87 100644
--- a/doc/src/commands_list.txt
+++ b/doc/src/commands_list.txt
@@ -44,6 +44,7 @@ Commands :h1
    fix_modify
    group
    group2ndx
+   hyper
    if
    improper_coeff
    improper_style
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index 857795ffe5..761d3fe29f 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -176,6 +176,7 @@ compute"_Commands_compute.html doc page are followed by one or more of
 (g,i,k,o,t) to indicate which accelerated styles exist.
 
 "ackland/atom"_compute_ackland_atom.html - 
+"adf"_compute_adf.html - angular distribution function
 "aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom
 "angle"_compute_angle.html - 
 "angle/local"_compute_angle_local.html - 
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 8d00fa987d..1a216319b0 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -221,6 +221,8 @@ accelerated styles exist.
 "grem"_fix_grem.html - 
 "halt"_fix_halt.html - terminate a dynamics run or minimization
 "heat"_fix_heat.html - add/subtract momentum-conserving heat
+"hyper/global"_fix_hyper_global.html - global hyperdynamics
+"hyper/local"_fix_hyper_local.html - local hyperdynamics
 "imd"_fix_imd.html - 
 "indent"_fix_indent.html - impose force due to an indenter
 "ipi"_fix_ipi.html - 
@@ -238,6 +240,7 @@ accelerated styles exist.
 "manifoldforce"_fix_manifoldforce.html - 
 "meso"_fix_meso.html - 
 "meso"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
+"meso/move"_fix_meso_move.html - 
 "meso/stationary"_fix_meso_stationary.html - 
 "momentum"_fix_momentum.html - zero the linear and/or angular momentum of a group of atoms
 "move"_fix_move.html - move atoms in a prescribed fashion
@@ -293,6 +296,7 @@ accelerated styles exist.
 "phonon"_fix_phonon.html - 
 "pimd"_fix_pimd.html - 
 "planeforce"_fix_planeforce.html - constrain atoms to move in a plane
+"plumed"_fix_plumed.html - wrapper on PLUMED free energy library
 "poems"_fix_poems.html - constrain clusters of atoms to move as coupled rigid bodies
 "pour"_fix_pour.html - pour new atoms/molecules into a granular simulation domain
 "precession/spin"_fix_precession_spin.html - 
diff --git a/doc/src/fixes.txt b/doc/src/fixes.txt
index 36ccd4f167..eb52583dce 100644
--- a/doc/src/fixes.txt
+++ b/doc/src/fixes.txt
@@ -57,6 +57,8 @@ Fixes :h1
    fix_grem
    fix_halt
    fix_heat
+   fix_hyper_global
+   fix_hyper_local
    fix_imd
    fix_indent
    fix_ipi
diff --git a/doc/src/lammps.book b/doc/src/lammps.book
index 419789b2a2..3ec314e09e 100644
--- a/doc/src/lammps.book
+++ b/doc/src/lammps.book
@@ -160,6 +160,7 @@ dump_cfg_uef.html
 echo.html
 group.html
 group2ndx.html
+hyper.html
 if.html
 include.html
 info.html
@@ -277,6 +278,8 @@ fix_gravity.html
 fix_grem.html
 fix_halt.html
 fix_heat.html
+fix_hyper_global.html
+fix_hyper_local.html
 fix_imd.html
 fix_indent.html
 fix_ipi.html
diff --git a/src/REPLICA/fix_event_hyper.cpp b/src/REPLICA/fix_event_hyper.cpp
index 7dd306c735..448228515f 100644
--- a/src/REPLICA/fix_event_hyper.cpp
+++ b/src/REPLICA/fix_event_hyper.cpp
@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <stdlib.h>
-#include <string.h>
+#include <cstdlib.h>
+#include <cstring.h>
 #include "fix_event_hyper.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/REPLICA/fix_hyper.cpp b/src/REPLICA/fix_hyper.cpp
index 9f01d9542c..2d51d8f6ec 100644
--- a/src/REPLICA/fix_hyper.cpp
+++ b/src/REPLICA/fix_hyper.cpp
@@ -11,7 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <string.h>
+#include <cstring.h>
 #include "fix_hyper.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index 8508b23440..c90c18becb 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>
-#include <math.h>
-#include <stdio.h>
-#include <string.h>
+#include <cmath.h>
+#include <cstdio.h>
+#include <cstring.h>
 #include "fix_hyper_global.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 7072197a28..2a0c9fc92e 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>
-#include <math.h>
-#include <stdio.h>
-#include <string.h>
+#include <cmath.h>
+#include <cstdio.h>
+#include <cstring.h>
 #include "fix_hyper_local.h"
 #include "atom.h"
 #include "update.h"
@@ -99,7 +99,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
 
   int iarg = 10;
   while (iarg < narg) {
-    /*
+    /*  NOTE: do not enable this yet, need to think about it differently
     if (strcmp(arg[iarg],"histo") == 0) {
       if (iarg+5 > narg) error->all(FLERR,"Illegal fix hyper/local command");
       histoflag = 1;
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 9e7dc34b13..28d98a81b2 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <math.h>
-#include <stdlib.h>
-#include <string.h>
+#include <cmath.h>
+#include <cstdlib.h>
+#include <cstring.h>
 #include "hyper.h"
 #include "update.h"
 #include "atom.h"

From 5a4e44b75aa3191b3edf62e922009d7e8e7a0833 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 20:27:21 -0500
Subject: [PATCH 105/273] remove accidentally duplicated code

---
 src/bond_hybrid.cpp | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp
index 1b150b8b34..4e5a26f731 100644
--- a/src/bond_hybrid.cpp
+++ b/src/bond_hybrid.cpp
@@ -227,9 +227,6 @@ void BondHybrid::settings(int narg, char **arg)
     if (strcmp(arg[i],"none") == 0)
       error->all(FLERR,"Bond style hybrid cannot have none as an argument");
 
-    if (strcmp(arg[i],"none") == 0)
-      error->all(FLERR,"Bond style hybrid cannot have none as an argument");
-
     // register index of quartic bond type,
     // so that bond type 0 can be mapped to it
 

From 5cb24632044b1b1e71a295b3548c5ce840a8f505 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 20:33:30 -0500
Subject: [PATCH 106/273] c++ style include files do not have a .h extension

---
 src/REPLICA/fix_event_hyper.cpp  | 4 ++--
 src/REPLICA/fix_hyper.cpp        | 2 +-
 src/REPLICA/fix_hyper_global.cpp | 6 +++---
 src/REPLICA/fix_hyper_local.cpp  | 6 +++---
 src/REPLICA/hyper.cpp            | 6 +++---
 5 files changed, 12 insertions(+), 12 deletions(-)

diff --git a/src/REPLICA/fix_event_hyper.cpp b/src/REPLICA/fix_event_hyper.cpp
index 448228515f..eae1ad021d 100644
--- a/src/REPLICA/fix_event_hyper.cpp
+++ b/src/REPLICA/fix_event_hyper.cpp
@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib.h>
-#include <cstring.h>
+#include <cstdlib>
+#include <cstring>
 #include "fix_event_hyper.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/REPLICA/fix_hyper.cpp b/src/REPLICA/fix_hyper.cpp
index 2d51d8f6ec..829d4b2474 100644
--- a/src/REPLICA/fix_hyper.cpp
+++ b/src/REPLICA/fix_hyper.cpp
@@ -11,7 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring.h>
+#include <cstring>
 #include "fix_hyper.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index c90c18becb..980dd6aff1 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>
-#include <cmath.h>
-#include <cstdio.h>
-#include <cstring.h>
+#include <cmath>
+#include <cstdio>
+#include <cstring>
 #include "fix_hyper_global.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 2a0c9fc92e..0c871d778a 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>
-#include <cmath.h>
-#include <cstdio.h>
-#include <cstring.h>
+#include <cmath>
+#include <cstdio>
+#include <cstring>
 #include "fix_hyper_local.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 28d98a81b2..04ff43aa02 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath.h>
-#include <cstdlib.h>
-#include <cstring.h>
+#include <cmath>
+#include <cstdlib>
+#include <cstring>
 #include "hyper.h"
 #include "update.h"
 #include "atom.h"

From c4c90a96ec35cfd1983f4f00757f32cd6456013d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 20:49:01 -0500
Subject: [PATCH 107/273] avoid void return from non-void function

---
 src/REPLICA/fix_hyper_global.cpp | 2 ++
 src/REPLICA/fix_hyper_local.cpp  | 2 ++
 2 files changed, 4 insertions(+)

diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index 980dd6aff1..14038cd6d2 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -467,6 +467,8 @@ double FixHyperGlobal::compute_vector(int i)
   if (i == 8) return t_hyper;
   if (i == 9) return (double) nevent;
   if (i == 10) return (double) nevent_atom;
+
+  return 0.0;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 0c871d778a..8d198e404d 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -1378,6 +1378,8 @@ double FixHyperLocal::compute_vector(int i)
     MPI_Allreduce(&nnewbond,&allnew,1,MPI_INT,MPI_SUM,world);
     return (double) 0.5*allnew;
   }
+
+  return 0.0;
 }
 
 /* ----------------------------------------------------------------------

From 443644025f5ba5b7cfaab6ecac01ecb6c03c89cf Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 20:50:14 -0500
Subject: [PATCH 108/273] silence compiler warnings

---
 src/REPLICA/fix_hyper_global.cpp | 2 ++
 src/REPLICA/fix_hyper_local.cpp  | 2 ++
 2 files changed, 4 insertions(+)

diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index 14038cd6d2..7b120c3327 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -487,6 +487,8 @@ double FixHyperGlobal::query(int i)
   if (i == 7) return compute_vector(5);  // fraction with zero bias
 
   error->all(FLERR,"Invalid query to fix hyper/global");
+
+  return 0.0;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 8d198e404d..4152bd3836 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -1417,6 +1417,8 @@ double FixHyperLocal::query(int i)
   if (i == 23) return compute_vector(18);  // count of non-matching bias coeffs
 
   error->all(FLERR,"Invalid query to fix hyper/local");
+
+  return 0.0;
 }
 
 /* ----------------------------------------------------------------------

From b776f0f29f8771366a44560d53e733b637e714d1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 21:11:55 -0500
Subject: [PATCH 109/273] remove dead code and silence warnings about unused
 parameters

---
 src/REPLICA/fix_hyper_global.cpp | 12 +++++-------
 src/REPLICA/fix_hyper_local.cpp  | 13 ++++++-------
 src/REPLICA/hyper.cpp            |  4 ++--
 3 files changed, 13 insertions(+), 16 deletions(-)

diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index 7b120c3327..d119083a3b 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -136,7 +136,7 @@ void FixHyperGlobal::init()
 
 /* ---------------------------------------------------------------------- */
 
-void FixHyperGlobal::init_list(int id, NeighList *ptr)
+void FixHyperGlobal::init_list(int /* id */, NeighList *ptr)
 {
   list = ptr;
 }
@@ -167,7 +167,7 @@ void FixHyperGlobal::setup_pre_reverse(int eflag, int vflag)
 
 void FixHyperGlobal::pre_neighbor()
 {
-  int i,m,jnum,iold,jold,ilocal,jlocal;
+  int m,iold,jold,ilocal,jlocal;
   double distsq;
 
   // reset local IDs for owned bond atoms, since atoms have migrated
@@ -200,10 +200,10 @@ void FixHyperGlobal::pre_neighbor()
 
 /* ---------------------------------------------------------------------- */
 
-void FixHyperGlobal::pre_reverse(int eflag, int vflag)
+void FixHyperGlobal::pre_reverse(int /* eflag */, int /* vflag */)
 {
   int i,j,m,imax,jmax;
-  double xtmp,ytmp,ztmp,delx,dely,delz;
+  double delx,dely,delz;
   double r,r0,estrain,rmax,r0max,emax,dt_boost;
   double vbias,fbias,fbiasr;
 
@@ -299,11 +299,9 @@ void FixHyperGlobal::pre_reverse(int eflag, int vflag)
 
 void FixHyperGlobal::build_bond_list(int natom)
 {
-  int i,j,n,ii,jj,inum,jnum;
+  int i,j,ii,jj,inum,jnum;
   double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
   int *ilist,*jlist,*numneigh,**firstneigh;
-  tagint *bptr;
-  double *rptr;
 
   if (natom) {
     nevent++;
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 4152bd3836..a7d384905d 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -316,7 +316,7 @@ void FixHyperLocal::init()
 
 /* ---------------------------------------------------------------------- */
 
-void FixHyperLocal::init_list(int id, NeighList *ptr)
+void FixHyperLocal::init_list(int /* id */, NeighList *ptr)
 {
   list = ptr;
 }
@@ -413,7 +413,7 @@ void FixHyperLocal::pre_neighbor()
 
 /* ---------------------------------------------------------------------- */
 
-void FixHyperLocal::pre_reverse(int eflag, int vflag)
+void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
 {
   int i,j,m,ii,jj,inum,jnum,iold,jold,nbond,bondindex;
   tagint itag,jtag;
@@ -788,7 +788,6 @@ void FixHyperLocal::pre_reverse(int eflag, int vflag)
 
   if (checkcoeff && update->ntimestep % checkcoeff_every == 0) {
     int jb,jbonds;
-    double ibias,jbias;
     
     for (i = 0; i < nlocal; i++) {
       nbond = numbond[i];
@@ -998,9 +997,9 @@ void FixHyperLocal::build_bond_list(int natom)
 /* ---------------------------------------------------------------------- */
 
 int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf, 
-                                     int pbc_flag, int *pbc)
+                                     int /* pbc_flag */, int * /* pbc */)
 {
-  int i,j,k,m,ibond,nbond,start;
+  int i,j,m;
 
   m = 0;
 
@@ -1039,7 +1038,7 @@ int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf,
 
 void FixHyperLocal::unpack_forward_comm(int n, int first, double *buf)
 {
-  int i,j,k,m,last,ibond,nbond,jlocal,flag;
+  int i,m,last;
 
   m = 0;
   last = first + n;
@@ -1158,7 +1157,7 @@ void FixHyperLocal::grow_arrays(int nmax)
    copy values within local atom-based arrays
 ------------------------------------------------------------------------- */
 
-void FixHyperLocal::copy_arrays(int i, int j, int delflag)
+void FixHyperLocal::copy_arrays(int i, int j, int /* delflag */)
 {
   // avoid valgrind copy-to-self warning
 
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 04ff43aa02..51490702fb 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -413,7 +413,7 @@ void Hyper::command(int narg, char **arg)
    short dynamics run
 ------------------------------------------------------------------------- */
 
-void Hyper::dynamics(int nsteps, double &time_category)
+void Hyper::dynamics(int nsteps, double & /* time_category */)
 {
   update->whichflag = 1;
   update->nsteps = nsteps;
@@ -470,7 +470,7 @@ void Hyper::quench(int flag)
   //update->minimize->setup_minimal(1);
 
   // NOTE: what doing with ncalls?
-  int ncalls = neighbor->ncalls;
+  // int ncalls = neighbor->ncalls;
 
   timer->barrier_start();
   update->minimize->run(maxiter);

From 7e779d16de45ac9fff68eaec1b1ebeaf3a0f6b2b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 21:33:37 -0500
Subject: [PATCH 110/273] correct broken links in manual reported by 'make
 html'

---
 doc/src/fix_hyper_global.txt | 9 ++++-----
 doc/src/fix_hyper_local.txt  | 8 ++++----
 doc/src/hyper.txt            | 2 +-
 3 files changed, 9 insertions(+), 10 deletions(-)

diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index 55c63547af..27396491d2 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -190,11 +190,10 @@ The "fix_modify"_fix_modify.html {energy} option is supported by this
 fix to add the energy of the bias potential to the the system's
 potential energy as part of "thermodynamic output"_thermo_style.html.
 
-This fix computes a global scalar and global vector of length 11,
-which can be accessed by various "output
-commands"_Section_howto.html#howto_15.  The scalar is the magnitude of
-the bias potential (energy units) applied on the current timestep.
-The vector stores the following quantities:
+This fix computes a global scalar and global vector of length 11, which
+can be accessed by various "output commands"_Howto_output.html".  The
+scalar is the magnitude of the bias potential (energy units) applied on
+the current timestep.  The vector stores the following quantities:
 
 1 = boost factor on this step (unitless)
 2 = max strain Eij of any bond on this step (unitless)
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index dfdd22251a..4af6ab5a55 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -62,7 +62,7 @@ bond-boost form of a bias potential for HD is due to Miron and
 Fichthorn as described in "(Miron)"_#Mironlhd.
 
 To understand this description, you should first read the description
-of the GHD algorithm on the "fix hyper/global"_fix_hyper/global.html
+of the GHD algorithm on the "fix hyper/global"_fix_hyper_global.html
 doc page.  This description of LHD builds on the GHD description.
 
 The definition of bonds, Eij, and Emax are the same for GHD and LHD.
@@ -284,7 +284,7 @@ potential energy as part of "thermodynamic output"_thermo_style.html.
 
 This fix computes a global scalar and global vector of length 23,
 which can be accessed by various "output
-commands"_Section_howto.html#howto_15.  The scalar is the magnitude of
+commands"_Howto_output.html.  The scalar is the magnitude of
 the bias potential (energy units) applied on the current timestep,
 summed over all biased bonds.  The vector stores the following
 quantities:
@@ -385,8 +385,8 @@ minimization"_minimize.html.
 [Restrictions:]
 
 This fix is part of the REPLICA package.  It is only enabled if LAMMPS
-was built with that package.  See the "Making
-LAMMPS"_Section_start.html#start_3 section for more info.
+was built with that package.  See the "Build package"_Build_package.html
+doc page for more info.
 
 [Related commands:]
 
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index b6fe27b9c7..0ea4ac781b 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -187,6 +187,6 @@ The option defaults are min = 0.1 0.1 40 50 and time = steps.
 [(Voter2013)] S. Y. Kim, D. Perez, A. F. Voter, J Chem Phys, 139,
 144110 (2013).
 
-:link(Voter2002prd)
+:link(Voter2002hd)
 [(Voter2002)] Voter, Montalenti, Germann, Annual Review of Materials
 Research 32, 321 (2002).

From a026ce96690fcbddfef265fc916f925876961c42 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 12 Nov 2018 21:38:26 -0500
Subject: [PATCH 111/273] correct broken links detected by make mobi

---
 doc/src/Packages_user.txt    | 2 +-
 doc/src/fix_hyper_global.txt | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt
index e1269b0d0c..463b8ab2e7 100644
--- a/doc/src/Packages_user.txt
+++ b/doc/src/Packages_user.txt
@@ -68,7 +68,7 @@ Package, Description, Doc page, Example, Library
 "USER-QUIP"_Packages_details.html#PKG-USER-QUIP, QUIP/libatoms interface,"pair_style quip"_pair_quip.html, USER/quip, ext
 "USER-REAXC"_Packages_details.html#PKG-USER-REAXC, ReaxFF potential (C/C++) ,"pair_style reaxc"_pair_reaxc.html, reax, no
 "USER-SCAFACOS"_Packages_details.html#PKG-USER-SCAFACOS, wrapper on ScaFaCoS solver,"kspace_style scafacos"_kspace_style.html, USER/scafacos, ext
-"USER-SDPD"_Packages_details.html#PKG-USER-SDPD, smoothed dissipative particle dynamics,"pair_style sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal, USER/sdpd, no
+"USER-SDPD"_Packages_details.html#PKG-USER-SDPD, smoothed dissipative particle dynamics,"pair_style sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html, USER/sdpd, no
 "USER-SMD"_Packages_details.html#PKG-USER-SMD, smoothed Mach dynamics,"SMD User Guide"_PDF/SMD_LAMMPS_userguide.pdf, USER/smd, ext
 "USER-SMTBQ"_Packages_details.html#PKG-USER-SMTBQ, second moment tight binding QEq potential,"pair_style smtbq"_pair_smtbq.html, USER/smtbq, no
 "USER-SPH"_Packages_details.html#PKG-USER-SPH, smoothed particle hydrodynamics,"SPH User Guide"_PDF/SPH_LAMMPS_userguide.pdf, USER/sph, no
diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index 27396491d2..4b9e971e14 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -191,7 +191,7 @@ fix to add the energy of the bias potential to the the system's
 potential energy as part of "thermodynamic output"_thermo_style.html.
 
 This fix computes a global scalar and global vector of length 11, which
-can be accessed by various "output commands"_Howto_output.html".  The
+can be accessed by various "output commands"_Howto_output.html.  The
 scalar is the magnitude of the bias potential (energy units) applied on
 the current timestep.  The vector stores the following quantities:
 

From 380f0e49716e794c7255cc811f582ae53be2f0e9 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Tue, 13 Nov 2018 08:06:40 -0700
Subject: [PATCH 112/273] remove some debugging code

---
 src/REPLICA/fix_hyper_local.cpp | 12 +++++++-----
 src/REPLICA/fix_hyper_local.h   | 15 ++++-----------
 src/REPLICA/hyper.cpp           |  3 ---
 3 files changed, 11 insertions(+), 19 deletions(-)

diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index a7d384905d..dac88a8efa 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -308,10 +308,10 @@ void FixHyperLocal::init()
   neighbor->requests[irequest]->cutoff = dcut;
   neighbor->requests[irequest]->occasional = 1;
 
-  // DEBUG timing output
+  // extra timing output
 
-  timefirst = timesecond = timethird = timefourth = timefifth =
-    timesixth = timeseventh = timetotal = 0.0;
+  //timefirst = timesecond = timethird = timefourth = timefifth =
+  //  timesixth = timeseventh = timetotal = 0.0;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -530,18 +530,20 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
         continue;
       }
 
-      // DEBUG - only good for 2 dims x,y
-
       if (j >= nlocal) {
         if (x[j][0] < sublo[0]) rmaxbig = MAX(rmaxbig,sublo[0]-x[j][0]);
         if (x[j][1] < sublo[1]) rmaxbig = MAX(rmaxbig,sublo[1]-x[j][1]);
+        if (x[j][2] < sublo[2]) rmaxbig = MAX(rmaxbig,sublo[2]-x[j][2]);
         if (x[j][0] > subhi[0]) rmaxbig = MAX(rmaxbig,x[j][0]-subhi[0]);
         if (x[j][1] > subhi[1]) rmaxbig = MAX(rmaxbig,x[j][1]-subhi[1]);
+        if (x[j][2] > subhi[2]) rmaxbig = MAX(rmaxbig,x[j][2]-subhi[2]);
         if (maxstrain[j] < qfactor) {
           if (x[j][0] < sublo[0]) rmax = MAX(rmax,sublo[0]-x[j][0]);
           if (x[j][1] < sublo[1]) rmax = MAX(rmax,sublo[1]-x[j][1]);
+          if (x[j][2] < sublo[2]) rmax = MAX(rmax,sublo[2]-x[j][2]);
           if (x[j][0] > subhi[0]) rmax = MAX(rmax,x[j][0]-subhi[0]);
           if (x[j][1] > subhi[1]) rmax = MAX(rmax,x[j][1]-subhi[1]);
+          if (x[j][2] > subhi[2]) rmax = MAX(rmax,x[j][2]-subhi[2]);
         }
       }
     }
diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h
index 5150386929..9fe4d03fb9 100644
--- a/src/REPLICA/fix_hyper_local.h
+++ b/src/REPLICA/fix_hyper_local.h
@@ -96,8 +96,10 @@ class FixHyperLocal : public FixHyper {
   double rmaxever,rmaxeverbig;
   int ghost_toofar;
 
-  double timefirst,timesecond,timethird,timefourth;
-  double timefifth,timesixth,timeseventh,timetotal;
+  // extra timers
+
+  //double timefirst,timesecond,timethird,timefourth;
+  //double timefifth,timesixth,timeseventh,timetotal;
 
   // data structs for per-atom and per-bond info
   // all of these are for current owned and ghost atoms
@@ -148,15 +150,6 @@ class FixHyperLocal : public FixHyper {
   int histo_flag,histo_every,histo_count,histo_print,histo_steps;
   double histo_delta,invhisto_delta,histo_lo;
   bigint *histo,*allhisto;
-
-  // DEBUG: MPI data struct for finding min/max bias coeffs via Allreduce
-
-  struct Two {
-    double value;
-    int proc;
-  };
-  Two pairme,pairall;
-
 };
 
 }
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 51490702fb..89409d63fc 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -469,9 +469,6 @@ void Hyper::quench(int flag)
   //modify->addstep_compute_all(update->ntimestep);
   //update->minimize->setup_minimal(1);
 
-  // NOTE: what doing with ncalls?
-  // int ncalls = neighbor->ncalls;
-
   timer->barrier_start();
   update->minimize->run(maxiter);
   timer->barrier_stop();

From 4805e1df2214fc7dfa7dc00fa9e5484d7c4bd262 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Tue, 13 Nov 2018 08:29:07 -0700
Subject: [PATCH 113/273] doc page additions for USER-PLUMED package

---
 doc/src/Build_extras.txt     | 61 +++++++++++++++++++-----------------
 doc/src/Build_package.txt    |  1 +
 doc/src/Packages_details.txt | 19 ++++++-----
 doc/src/Packages_user.txt    |  3 ++
 4 files changed, 48 insertions(+), 36 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index e4ab6b9541..3b685a44e3 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -41,11 +41,11 @@ This is the list of packages that may require additional steps.
 "USER-ATC"_#user-atc,
 "USER-AWPMD"_#user-awpmd,
 "USER-COLVARS"_#user-colvars,
-"USER-PLUMED" _#user-plumed,
 "USER-H5MD"_#user-h5md,
 "USER-INTEL"_#user-intel,
 "USER-MOLFILE"_#user-molfile,
 "USER-NETCDF"_#user-netcdf,
+"USER-PLUMED"_#user-plumed,
 "USER-OMP"_#user-omp,
 "USER-QMMM"_#user-qmmm,
 "USER-QUIP"_#user-quip,
@@ -719,47 +719,52 @@ USER-PLUMED package :h4,link(user-plumed)
 
 [Traditional make]:
 
-Before building LAMMPS with this package, you must first build 
-PLUMED.  We recommending building PLUMED separately to LAMMPS using 
-the instructions that can be found at http://plumed.github.io/doc-master/user-doc/html/_installation.html.
+Before building LAMMPS with this package, you must first build PLUMED.
+We recommending building PLUMED separately to LAMMPS using the
+instructions that can be found at
+http://plumed.github.io/doc-master/user-doc/html/_installation.html.
 Before compiling LAMMPS you can then install the fix plumed command
 and compile LAMMPS in the usual manner:
 
 make yes-user-plumed 
 make machine :pre
 
-Once this compilation completes you should be able to run LAMMPS in the usual
-way.  When running LAMMPS with an input script that contains a fix
-plumed command LAMMPS will try to call the PLUMED runtime library.  PLUMED
-must therefore be available in your path if LAMMPS is compiled in this way.
+Once this compilation completes you should be able to run LAMMPS in
+the usual way.  When running LAMMPS with an input script that contains
+a fix plumed command LAMMPS will try to call the PLUMED runtime
+library.  PLUMED must therefore be available in your path if LAMMPS is
+compiled in this way.
 
-On some machines it is not possible to call runtime libraries in the way described
-above.  When compiling on these machines it is thus better to statically link
-PLUMED when compiling LAMMPS.  To do this you must either download a PLUMED
-tarball from http://www.plumed.org/get-it or clone it using
-git clone https://github.com/plumed/plumed2.git.  If you download the tarball
-unpack it in the /lib/plumed directory.  Similarly if you clone 
-it clone it to the /lib/plumed directory as if there is a version of PLUMED within
-this directory LAMMPS will always try to statically link the version of PLUMED
-that this directory contains instead of dynamically linking the library.
+On some machines it is not possible to call runtime libraries in the
+way described above.  When compiling on these machines it is thus
+better to statically link PLUMED when compiling LAMMPS.  To do this
+you must either download a PLUMED tarball from
+http://www.plumed.org/get-it or clone it using git clone
+https://github.com/plumed/plumed2.git.  If you download the tarball
+unpack it in the /lib/plumed directory.  Similarly if you clone it
+clone it to the /lib/plumed directory as if there is a version of
+PLUMED within this directory LAMMPS will always try to statically link
+the version of PLUMED that this directory contains instead of
+dynamically linking the library.
 
-Once you have downloaded PLUMED into /lib/plumed you must again build the code
-here by following the instructions that can be found at
+Once you have downloaded PLUMED into /lib/plumed you must again build
+the code here by following the instructions that can be found at
 http://plumed.github.io/doc-master/user-doc/html/_installation.html.
 
-You can statically link PLUMED manually and if you want to access the full
-range of PLUMED functionalities this is what you should do.  If you only want the
-basic range of functionalities, however, (i.e. no user contributed modules) then
-you can download and compile PLUMED in one step from the lammps/src dir, using a
-command like like those below:
+You can statically link PLUMED manually and if you want to access the
+full range of PLUMED functionalities this is what you should do.  If
+you only want the basic range of functionalities, however, (i.e. no
+user contributed modules) then you can download and compile PLUMED in
+one step from the lammps/src dir, using a command like like those
+below:
 
 make lib-plumed                       # print help message
 make lib-plumed  args="-b"            # download and build the latest stable version of PLUMED
 
-These commands will simply invoke the lib/plumed/Install.py script with
-args specified.  Furthermore, once the script has completed you should
-have a compiled version of PLUMED.  With this built you can install/un-install
-PLUMED and build LAMMPS in the usual manner:
+These commands will simply invoke the lib/plumed/Install.py script
+with args specified.  Furthermore, once the script has completed you
+should have a compiled version of PLUMED.  With this built you can
+install/un-install PLUMED and build LAMMPS in the usual manner:
 
 make yes-user-plumed
 make machine :pre
diff --git a/doc/src/Build_package.txt b/doc/src/Build_package.txt
index f1aa4bb671..82833b867c 100644
--- a/doc/src/Build_package.txt
+++ b/doc/src/Build_package.txt
@@ -56,6 +56,7 @@ packages:
 "USER-INTEL"_Build_extras.html#user-intel,
 "USER-MOLFILE"_Build_extras.html#user-molfile,
 "USER-NETCDF"_Build_extras.html#user-netcdf,
+"USER-PLUMED"_Build_extras.html#user-plumed,
 "USER-OMP"_Build_extras.html#user-omp,
 "USER-QMMM"_Build_extras.html#user-qmmm,
 "USER-QUIP"_Build_extras.html#user-quip,
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 4bc72f3147..fa9ad1bb95 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -89,6 +89,7 @@ as contained in the file name.
 "USER-NETCDF"_#PKG-USER-NETCDF,
 "USER-OMP"_#PKG-USER-OMP,
 "USER-PHONON"_#PKG-USER-PHONON,
+"USER-PLUMED"_#PKG-USER-PLUMED,
 "USER-PTM"_#PKG-USER-PTM,
 "USER-QMMM"_#PKG-USER-QMMM,
 "USER-QTB"_#PKG-USER-QTB,
@@ -1205,14 +1206,16 @@ USER-PLUMED package :link(USER-PLUMED),h4
 
 [Contents:]
 
-The fix plumed command allows you to use the plugin for molecular
-dynamics PLUMED to analyse and bias your LAMMPS trajectory on the fly.
-In practise PLUMED is called from within the lammps input script by using
-the "fix plumed _fix_plumed.html command.
+The fix plumed command allows you to use the PLUMED free energy plugin
+for molecular dynamics to analyse and bias your LAMMPS trajectory on
+the fly.  The PLUMED library is called from within the LAMMPS input
+script by using the "fix plumed _fix_plumed.html command.
 
-[Authors:] The PLUMED library is written and maintained by
-Massimilliano Bonomi, Giovanni Bussi, Carlo Camiloni and
-Gareth Tribello. 
+[Authors:] The "PLUMED library"_#PLUMED is written and maintained by
+Massimilliano Bonomi, Giovanni Bussi, Carlo Camiloni and Gareth
+Tribello.
+
+:link(PLUMED,http://www.plumed.org)
 
 [Install:]
 
@@ -1224,7 +1227,7 @@ extras"_Build_extras.html doc page.
 
 src/USER-PLUMED/README
 lib/plumed/README
-"fix plumed "_fix_plumed.html
+"fix plumed"_fix_plumed.html
 examples/USER/plumed :ul
 
 :line
diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt
index e1269b0d0c..07548fb643 100644
--- a/doc/src/Packages_user.txt
+++ b/doc/src/Packages_user.txt
@@ -62,6 +62,7 @@ Package, Description, Doc page, Example, Library
 "USER-NETCDF"_Packages_details.html#PKG-USER-NETCDF, dump output via NetCDF,"dump netcdf"_dump_netcdf.html, n/a, ext
 "USER-OMP"_Packages_details.html#PKG-USER-OMP, OpenMP-enabled styles,"Speed omp"_Speed_omp.html, "Benchmarks"_http://lammps.sandia.gov/bench.html, no
 "USER-PHONON"_Packages_details.html#PKG-USER-PHONON, phonon dynamical matrix,"fix phonon"_fix_phonon.html, USER/phonon, no
+"USER-PLUMED"_Packages_details.html#PKG-USER-PLUMED, "PLUMED"_#PLUMED free energy library,"fix plumed"_fix_plumed.html, USER/plumed, ext
 "USER-PTM"_Packages_details.html#PKG-USER-PTM, Polyhedral Template Matching,"compute ptm/atom"_compute_ptm_atom.html, n/a, no
 "USER-QMMM"_Packages_details.html#PKG-USER-QMMM, QM/MM coupling,"fix qmmm"_fix_qmmm.html, USER/qmmm, ext
 "USER-QTB"_Packages_details.html#PKG-USER-QTB, quantum nuclear effects,"fix qtb"_fix_qtb.html "fix qbmsst"_fix_qbmsst.html, qtb, no
@@ -75,4 +76,6 @@ Package, Description, Doc page, Example, Library
 "USER-TALLY"_Packages_details.html#PKG-USER-TALLY, pairwise tally computes,"compute XXX/tally"_compute_tally.html, USER/tally, no
 "USER-UEF"_Packages_details.html#PKG-USER-UEF, extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, no
 "USER-VTK"_Packages_details.html#PKG-USER-VTK, dump output via VTK, "compute vtk"_dump_vtk.html, n/a, ext :tb(ea=c,ca1=l)
+
 :link(MOFplus,https://www.mofplus.org/content/show/MOF-FF)
+:link(PLUMED,http://www.plumed.org)

From 4c1fbc359a414ae82fa0d40e107a0392df307c1b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 05:28:19 -0500
Subject: [PATCH 114/273] use tagint when unpacking atom tags from
 communication buffers

---
 src/MOLECULE/atom_vec_molecular.cpp | 48 ++++++++++++++---------------
 1 file changed, 24 insertions(+), 24 deletions(-)

diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp
index 6e903a936e..cdd3f02505 100644
--- a/src/MOLECULE/atom_vec_molecular.cpp
+++ b/src/MOLECULE/atom_vec_molecular.cpp
@@ -677,33 +677,33 @@ int AtomVecMolecular::unpack_exchange(double *buf)
   num_bond[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_bond[nlocal]; k++) {
     bond_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i;
+    bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_angle[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_angle[nlocal]; k++) {
     angle_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
+    angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_dihedral[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_dihedral[nlocal]; k++) {
     dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i;
+    dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_improper[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_improper[nlocal]; k++) {
     improper_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i;
+    improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   nspecial[nlocal][0] = (int) ubuf(buf[m++]).i;
@@ -840,33 +840,33 @@ int AtomVecMolecular::unpack_restart(double *buf)
   num_bond[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_bond[nlocal]; k++) {
     bond_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    bond_atom[nlocal][k] = (int) ubuf(buf[m++]).i;
+    bond_atom[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_angle[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_angle[nlocal]; k++) {
     angle_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    angle_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
+    angle_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    angle_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    angle_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_dihedral[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_dihedral[nlocal]; k++) {
     dihedral_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
-    dihedral_atom4[nlocal][k] = (int) ubuf(buf[m++]).i;
+    dihedral_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    dihedral_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   num_improper[nlocal] = (int) ubuf(buf[m++]).i;
   for (k = 0; k < num_improper[nlocal]; k++) {
     improper_type[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom1[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom2[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom3[nlocal][k] = (int) ubuf(buf[m++]).i;
-    improper_atom4[nlocal][k] = (int) ubuf(buf[m++]).i;
+    improper_atom1[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom2[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom3[nlocal][k] = (tagint) ubuf(buf[m++]).i;
+    improper_atom4[nlocal][k] = (tagint) ubuf(buf[m++]).i;
   }
 
   nspecial[nlocal][0] = nspecial[nlocal][1] = nspecial[nlocal][2] = 0;

From 7a22b8aa621528327637ab3bc159b467db9c7478 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 05:29:26 -0500
Subject: [PATCH 115/273] check only in currently added data file atoms for
 dihedral overflow

---
 src/read_data.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/read_data.cpp b/src/read_data.cpp
index 26c406c1d6..1dbb9506c6 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -1435,7 +1435,7 @@ void ReadData::dihedrals(int firstpass)
 
   if (firstpass) {
     int max = 0;
-    for (int i = 0; i < nlocal; i++) max = MAX(max,count[i]);
+    for (int i = nlocal_previous; i < nlocal; i++) max = MAX(max,count[i]);
     int maxall;
     MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
     if (addflag == NONE) maxall += atom->extra_dihedral_per_atom;

From a942d8b3ba0bfb784bb71e091e7ef5ae1af38c59 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 05:30:23 -0500
Subject: [PATCH 116/273] use memset() for clearing of arrays

---
 src/read_data.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/read_data.cpp b/src/read_data.cpp
index 1dbb9506c6..373ba30151 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -1248,7 +1248,7 @@ void ReadData::bonds(int firstpass)
   int *count = NULL;
   if (firstpass) {
     memory->create(count,nlocal,"read_data:count");
-    for (int i = 0; i < nlocal; i++) count[i] = 0;
+    memset(count,0,nlocal*sizeof(int));
   }
 
   // read and process bonds
@@ -1331,7 +1331,7 @@ void ReadData::angles(int firstpass)
   int *count = NULL;
   if (firstpass) {
     memory->create(count,nlocal,"read_data:count");
-    for (int i = 0; i < nlocal; i++) count[i] = 0;
+    memset(count,0,nlocal*sizeof(int));
   }
 
   // read and process angles
@@ -1414,7 +1414,7 @@ void ReadData::dihedrals(int firstpass)
   int *count = NULL;
   if (firstpass) {
     memory->create(count,nlocal,"read_data:count");
-    for (int i = 0; i < nlocal; i++) count[i] = 0;
+    memset(count,0,nlocal*sizeof(int));
   }
 
   // read and process dihedrals
@@ -1497,7 +1497,7 @@ void ReadData::impropers(int firstpass)
   int *count = NULL;
   if (firstpass) {
     memory->create(count,nlocal,"read_data:count");
-    for (int i = 0; i < nlocal; i++) count[i] = 0;
+    memset(count,0,nlocal*sizeof(int));
   }
 
   // read and process impropers

From 952e52982e3c66541a4bb07f465863d81ab5f7d1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 05:37:59 -0500
Subject: [PATCH 117/273] add comment to indicate code intended for backward
 compatibility only

---
 src/read_restart.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 252c48d251..6b9ea8d773 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -924,11 +924,13 @@ void ReadRestart::header(int incompatible)
       atom->extra_dihedral_per_atom = read_int();
     } else if (flag == EXTRA_IMPROPER_PER_ATOM) {
       atom->extra_improper_per_atom = read_int();
-    } else if (flag == EXTRA_SPECIAL_PER_ATOM) {
-      force->special_extra = read_int();
     } else if (flag == ATOM_MAXSPECIAL) {
       atom->maxspecial = read_int();
 
+      // for backward compatibility
+    } else if (flag == EXTRA_SPECIAL_PER_ATOM) {
+      force->special_extra = read_int();
+
     } else error->all(FLERR,"Invalid flag in header section of restart file");
 
     flag = read_int();

From 04520e627dc50244cd81439de845b3c59adcff6a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 21:26:36 -0500
Subject: [PATCH 118/273] add code and scripts to support all three plumed
 linkage modes with fix plumed for conventional build

---
 lib/plumed/Install.py              | 36 ++++++++++++++----------------
 lib/plumed/Makefile.lammps.runtime |  5 +++++
 lib/plumed/Makefile.lammps.shared  |  5 +++++
 lib/plumed/Makefile.lammps.static  |  4 +++-
 src/USER-PLUMED/fix_plumed.cpp     | 16 ++++++++-----
 5 files changed, 41 insertions(+), 25 deletions(-)
 create mode 100644 lib/plumed/Makefile.lammps.runtime
 create mode 100644 lib/plumed/Makefile.lammps.shared

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 481cfdcc0e..61c1c35ee2 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -11,27 +11,29 @@ import sys,os,re,subprocess,hashlib
 help = """
 Syntax from src dir: make lib-plumed args="-b"
                  or: make lib-plumed args="-b -v 2.4.3"
-                 or: make lib-plumed args="-p /usr/local/plumed2-2.4.3"
+                 or: make lib-plumed args="-p /usr/local/plumed2 -m shared"
 
 Syntax from lib dir: python Install.py -b -v 2.4.3
                  or: python Install.py -b
-                 or: python Install.py -p /usr/local/plumed2-2.4.3
+                 or: python Install.py -p /usr/local/plumed2 -m shared
 
 specify one or more options, order does not matter
 
   -b = download and build the plumed2 library
-  -p = specify folder of existing plumed2 installation
   -v = set version of plumed2 to download and build (default: 2.4.3)
+  -p = specify folder of existing plumed2 installation
+  -m = set plumed linkage mode: static (default), shared, or runtime
 
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
-make lib-plumed args="-p $HOME/plumed-2.4.3" # use existing Plumed2 installation in $HOME/plumed-2.4.3
+make lib-plumed args="-p $HOME/plumed2 -m shared" # use existing Plumed2 installation in $HOME/plumed2
 """
 
 # settings
 
 version = "2.4.3"
+mode = "static"
 
 # known checksums for different PLUMED versions. used to validate the download.
 checksums = { \
@@ -40,11 +42,6 @@ checksums = { \
         '2.5b'  : 'e341bdef469be1da058b8a0b97a3db22', \
         }
 
-#checksums = { \
-#        '2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
-#        '2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
-#        }
-
 # print error message or help
 def error(str=None):
   if not str: print(help)
@@ -132,6 +129,10 @@ while iarg < nargs:
     plumedpath = fullpath(args[iarg+1])
     pathflag = True
     iarg += 2
+  elif args[iarg] == "-m":
+    if iarg+2 > nargs: error()
+    mode = args[iarg+1]
+    iarg += 2
   elif args[iarg] == "-b":
     buildflag = True
     iarg += 1
@@ -149,13 +150,14 @@ if (buildflag and pathflag):
 if (not buildflag and not pathflag):
     error("Have to use either -b or -p flag")
 
+if ((mode != "static") and (mode != "shared") and (mode != "runtime")):
+    error("Unknown linkage mode '%s' for Plumed" % mode)
+
 # download and unpack plumed2 tarball
 
 if buildflag:
   url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
   filename = "plumed-src-%s.tar.gz" %version
-  #url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
-  #filename = "v%s.tar.gz" %version
   print("Downloading plumed  ...")
   geturl(url,filename)
 
@@ -168,9 +170,6 @@ if buildflag:
   if os.path.exists("%s/plumed-%s" % (homepath,version)):
     cmd = 'rm -rf "%s/plumed-%s"' % (homepath,version)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  #if os.path.exists("%s/plumed2-%s" % (homepath,version)):
-  #  cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
-  #  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.exists("%s/plumed2" % (homepath)):
     cmd = 'rm -rf "%s/plumed2"' % (homepath)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
@@ -183,7 +182,6 @@ if buildflag:
 if buildflag:
    print("Building plumed ...")
    cmd = 'cd %s/plumed-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
-   #cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
    print(txt.decode('UTF-8'))
 # 
@@ -195,12 +193,12 @@ if linkflag:
     os.remove("includelink")
   if os.path.isfile("liblink") or os.path.islink("liblink"):
     os.remove("liblink")
-  cmd = 'ln -s "%s/plumed2/include" includelink' % homepath
+  cmd = 'ln -s "%s/include" includelink' % homedir
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  cmd = 'ln -s "%s/plumed2/lib" liblink' % homepath
+  cmd = 'ln -s "%s/lib" liblink' % homedir
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  if os.path.isfile("Makefile.lammps.static"):
+  if os.path.isfile("Makefile.lammps.%s" % mode):
     print("Creating Makefile.lammps")
-    cmd = 'cat liblink/plumed/src/lib/Plumed.inc.static Makefile.lammps.static > Makefile.lammps'
+    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 
diff --git a/lib/plumed/Makefile.lammps.runtime b/lib/plumed/Makefile.lammps.runtime
new file mode 100644
index 0000000000..b8c8636940
--- /dev/null
+++ b/lib/plumed/Makefile.lammps.runtime
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+
+plumed_SYSINC = -D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=$(PLUMED_LIBDIR)/libplumedKernel.so
+plumed_SYSLIB = $(PLUMED_LOAD) -rdynamic
+plumed_SYSPATH = 
diff --git a/lib/plumed/Makefile.lammps.shared b/lib/plumed/Makefile.lammps.shared
new file mode 100644
index 0000000000..860202a6f2
--- /dev/null
+++ b/lib/plumed/Makefile.lammps.shared
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+
+plumed_SYSINC = 
+plumed_SYSLIB = $(PLUMED_LOAD)
+plumed_SYSPATH = 
diff --git a/lib/plumed/Makefile.lammps.static b/lib/plumed/Makefile.lammps.static
index 860202a6f2..2ca0858610 100644
--- a/lib/plumed/Makefile.lammps.static
+++ b/lib/plumed/Makefile.lammps.static
@@ -1,5 +1,7 @@
 # Settings that the LAMMPS build will import when this package library is used
 
-plumed_SYSINC = 
+#  Use statically linked C++ interface to plumed
+
+plumed_SYSINC = -D__PLUMED_WRAPPER_CXX=1
 plumed_SYSLIB = $(PLUMED_LOAD)
 plumed_SYSPATH = 
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index bb8309cf93..d73cfdb7a7 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -34,13 +34,14 @@
 #include "modify.h"
 #include "pair.h"
 
-/*
-  Use statically linked C++ interface to plumed
-*/
-#define __PLUMED_WRAPPER_CXX 1
-
 #include "plumed/wrapper/Plumed.h"
 
+#if defined(__PLUMED_DEFAULT_KERNEL)
+#define PLUMED_QUOTE_DIRECT(name) #name
+#define PLUMED_QUOTE(macro) PLUMED_QUOTE_DIRECT(macro)
+static char plumed_default_kernel[] = "PLUMED_KERNEL=" PLUMED_QUOTE(__PLUMED_DEFAULT_KERNEL);
+#endif
+
 /* -------------------------------------------------------------------- */
 
 using namespace LAMMPS_NS;
@@ -64,6 +65,11 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
     error->warning(FLERR,"Fix group for fix plumed is not 'all'. "
                    "Group will be ignored.");
 
+#if defined(__PLUMED_DEFAULT_KERNEL)
+  if (getenv("PLUMED_KERNEL") == NULL)
+    putenv(plumed_default_kernel);
+#endif
+
   p=new PLMD::Plumed;
 
   // Check API version

From a55764493928fd85b5ddcdef3f55a1823463378d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 22:13:18 -0500
Subject: [PATCH 119/273] support all three plumed linkage modes with CMake as
 well. For downloaded and previously installed plumed lib

---
 cmake/CMakeLists.txt | 30 ++++++++++++++++++++++++++----
 1 file changed, 26 insertions(+), 4 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index cc5a3356a6..e36d7259a5 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -349,7 +349,7 @@ if(PKG_KSPACE)
   endif()
 endif()
 
-if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
+if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE OR PKG_USER-PLUMED)
   find_package(LAPACK)
   find_package(BLAS)
   if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
@@ -531,6 +531,12 @@ endif()
 
 if(PKG_USER-PLUMED)
   find_package(GSL REQUIRED)
+  set(PLUMED_MODE "static" CACHE STRING "Linkage mode for Plumed2 library")
+  set(PLUMED_MODE_VALUES static shared runtime)
+  set_property(CACHE PLUMED_MODE PROPERTY STRINGS ${PLUMED_MODE_VALUES})
+  validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
+  string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
+
   option(DOWNLOAD_PLUMED "Download Plumed (instead of using the system's one)" OFF)
   if(DOWNLOAD_PLUMED)
     include(ExternalProject)
@@ -543,13 +549,29 @@ if(PKG_USER-PLUMED)
     ExternalProject_get_property(plumed_build INSTALL_DIR)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
-    list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/plumed/obj/kernel.o
-      ${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o ${GSL_LIBRARIES} ${CMAKE_DL_LIBS})
+    if(PLUMED_MODE STREQUAL "STATIC")
+      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/plumed/obj/kernel.o
+        "${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o" ${GSL_LIBRARIES} ${CMAKE_DL_LIBS} ${LAPACK_LIBRARIES})
+    elseif(PLUMED_MODE STREQUAL "SHARED")
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so ${CMAKE_DL_LIBS})
+    elseif(PLUMED_MODE STREQUAL "RUNTIME")
+      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_INSTALL_DIR}/lib/libplumedKernel.so)
+      list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumedWrapper.a -rdynamic ${CMAKE_DL_LIBS})
+    endif()
     set(PLUMED_INCLUDE_DIRS "${PLUMED_INSTALL_DIR}/include")
   else()
     find_package(PkgConfig REQUIRED)
     pkg_check_modules(PLUMED plumed REQUIRED)
-    include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
+    if(PLUMED_MODE STREQUAL "STATIC")
+      add_definitions(-D__PLUMED_WRAPPER_CXX=1)
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.static)
+    elseif(PLUMED_MODE STREQUAL "SHARED")
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.shared)
+    elseif(PLUMED_MODE STREQUAL "RUNTIME")
+      add_definitions(-D__PLUMED_HAS_DLOPEN=1 -D__PLUMED_DEFAULT_KERNEL=${PLUMED_LIBDIR}/libplumedKernel.so)
+      include(${PLUMED_LIBDIR}/plumed/src/lib/Plumed.cmake.runtime)
+    endif()
     list(APPEND LAMMPS_LINK_LIBS ${PLUMED_LOAD})
   endif()
   include_directories(${PLUMED_INCLUDE_DIRS})

From 003bb28471d2a38f39782308a5459d1e215472c4 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 14 Nov 2018 22:17:25 -0500
Subject: [PATCH 120/273] make @gtribello code owner of the USER-PLUMED package

---
 .github/CODEOWNERS | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS
index 164bc05d60..7aab6bef92 100644
--- a/.github/CODEOWNERS
+++ b/.github/CODEOWNERS
@@ -29,6 +29,7 @@ src/USER-MEAMC/*      @martok
 src/USER-MOFFF/*      @hheenen
 src/USER-MOLFILE/*    @akohlmey
 src/USER-NETCDF/*     @pastewka
+src/USER-PLUMED/*     @gtribello
 src/USER-PHONON/*     @lingtikong
 src/USER-PTM/*        @pmla
 src/USER-OMP/*        @akohlmey

From 25914ea3f3ee840f4958d881399705653387da15 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 10:17:25 -0500
Subject: [PATCH 121/273] patch 15Nov2018

---
 doc/src/Manual.txt | 4 ++--
 src/version.h      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index b109937034..f41759ef70 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="9 Nov 2018 version">
+<META NAME="docnumber" CONTENT="15 Nov 2018 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-9 Nov 2018 version :c,h2
+15 Nov 2018 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/src/version.h b/src/version.h
index bf3eb42707..162fb8916f 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "9 Nov 2018"
+#define LAMMPS_VERSION "15 Nov 2018"

From 4231ab3d57c25e2e4ecb6fd5dbd4f5ffa3857d23 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 10:52:03 -0500
Subject: [PATCH 122/273] correct some links

---
 doc/src/Packages_details.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index fa9ad1bb95..5f50e80271 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -1188,7 +1188,7 @@ the NAMD MD code, but with portability in mind.  Axel Kohlmeyer
 [Install:] 
 
 This package has "specific installation
-instructions"_Build_extras.html#gpu on the "Build
+instructions"_Build_extras.html#user-colvars on the "Build
 extras"_Build_extras.html doc page.
 
 [Supporting info:]
@@ -1202,7 +1202,7 @@ examples/USER/colvars :ul
 
 :line
 
-USER-PLUMED package :link(USER-PLUMED),h4
+USER-PLUMED package :link(PKG-USER-PLUMED),h4
 
 [Contents:]
 

From 82d6aa9add88cd76d34530ee08c00bddab23ebbb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 10:52:41 -0500
Subject: [PATCH 123/273] interlink fixes colvars, plumed, and smd

---
 doc/src/fix_colvars.txt | 5 +++--
 doc/src/fix_smd.txt     | 3 ++-
 2 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/doc/src/fix_colvars.txt b/doc/src/fix_colvars.txt
index 3a64840bdc..d702fb264e 100644
--- a/doc/src/fix_colvars.txt
+++ b/doc/src/fix_colvars.txt
@@ -116,7 +116,8 @@ not a limitation of functionality.
 
 [Related commands:]
 
-"fix smd"_fix_smd.html
+"fix smd"_fix_smd.html, "fix spring"_fix_spring.html,
+"fix plumed"_fix_plumed.html
 
 [Default:]
 
@@ -126,4 +127,4 @@ and tstat = NULL.
 :line
 
 :link(Fiorin)
-[(Fiorin)] Fiorin , Klein, Henin, Mol. Phys., DOI:10.1080/00268976.2013.813594
+[(Fiorin)] Fiorin, Klein, Henin, Mol. Phys., DOI:10.1080/00268976.2013.813594
diff --git a/doc/src/fix_smd.txt b/doc/src/fix_smd.txt
index 774842c7cf..907df7ab1f 100644
--- a/doc/src/fix_smd.txt
+++ b/doc/src/fix_smd.txt
@@ -137,7 +137,8 @@ package"_Build_package.html doc page for more info.
 
 "fix drag"_fix_drag.html, "fix spring"_fix_spring.html,
 "fix spring/self"_fix_spring_self.html,
-"fix spring/rg"_fix_spring_rg.html
+"fix spring/rg"_fix_spring_rg.html,
+"fix colvars"_fix_colvars.html, "fix plumed"_fix_plumed.html
 
 [Default:] none
 

From 8a4983e4bcb8c16e8cd636bbf01644457c89b2ce Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 10:53:38 -0500
Subject: [PATCH 124/273] reformatting and simplification of fix plumed docs

---
 doc/src/fix_plumed.txt | 66 +++++++++++++++++++++---------------------
 1 file changed, 33 insertions(+), 33 deletions(-)

diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index d5fbcd88ef..9c7f45af1e 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -25,33 +25,32 @@ fix pl all plumed all plumed plumedfile plumed.dat outfile p.log
 
 [Description:]
 
-This fix instructs LAMMPS to call the PLUMED library, which allows one
-to perform various forms of trajectory analysis on the fly and to also
-use methods such as umbrella sampling and metadynamics to enhance the
-sampling of phase space.
+This fix instructs LAMMPS to call the "PLUMED"_plumedhome library, which
+allows one to perform various forms of trajectory analysis on the fly
+and to also use methods such as umbrella sampling and metadynamics to
+enhance the sampling of phase space.
 
-The documentation included here only describes the fix plumed command.
-This command is LAMMPS specific whereas most of the functionality
-implemented in PLUMED will work with a range of MD codes and also when
-PLUMED is used as a stand alone code.  The full documentation for PLUMED
-is available at "this website"_http://www.plumed.org/documentation
+The documentation included here only describes the fix plumed command
+itself.  This command is LAMMPS specific, whereas most of the
+functionality implemented in PLUMED, however, will work with a range of
+MD codes, and when PLUMED is used as a stand alone code for analysis.
+The full "documentation for PLUMED"_plumeddocs is available online and
+included in the PLUMED source code.  The PLUMED library development is
+hosted at
+"https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2
+A detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
 
-The PLUMED library is developed at
-"https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2 A
-detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
-
-There are some example scripts for using this package with LAMMPS in the
+There is an example input for using this package with LAMMPS in the
 examples/USER/plumed directory.
 
 :line
 
-The command to call PLUMED above is reasonably self explanatory.  Within
-the input file for lammps the user is required to specify the input file
-for PLUMED and a file on which to output the PLUMED log.  The user must
-specify both of these arguments every time PLUMED is to be used.
-Furthermore, the fix plumed command should appear in the LAMMPS input
-file after the relevant input paramters (e.g. the timestep) have been
-set.
+The command to make LAMMPS call PLUMED during a run requires two keyword
+value pairs pointing to the PLUMED input file and an output file for the
+PLUMED log. The user must specify these arguments every time PLUMED is
+to be used.  Furthermore, the fix plumed command should appear in the
+LAMMPS input file [after] relevant input paramters (e.g. the timestep)
+have been set.
 
 The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
 to PLUMED and there can only be one instance of the plumed fix at a
@@ -64,10 +63,10 @@ functionality by only allowing only one plumed fix in the LAMMPS input.
 The {plumedfile} keyword allows the user to specify the name of the
 PLUMED input file.  Instructions as to what should be included in a
 plumed input file can be found in the "documentation for
-PLUMED"_http://www.plumed.org/documentation.
+PLUMED"_plumeddocs
 
 The {outfile} keyword allows the user to specify the name of a file on
-which to output the PLUMED log.  This log file normally just parots the
+which to output the PLUMED log.  This log file normally just parrots the
 information that is contained in the input file.  The names of the files
 on which the results from the various analyses that have been performed
 using PLUMED will be specified by the user in the PLUMED input file.
@@ -76,12 +75,13 @@ using PLUMED will be specified by the user in the PLUMED input file.
 
 When performing a restart of a calculation that involves PLUMED you must
 include a RESTART command in the PLUMED input file as detailed in the
-"PLUMED documentation"_http://www.plumed.org/documentation.  When the
-restart command is found in the PLUMED input PLUMED will append to the
-files that were generated in the run that was performed previously.
-Furthermore, any history dependent bias potentials that were accumulated
-in previous calculations will be read in when the restart command is
-included in the PLUMED input.
+"PLUMED documentation"_plumeddocs.  When the restart command is found in
+the PLUMED input PLUMED will append to the files that were generated in
+the run that was performed previously.  No part of the PLUMED restart
+data is included in the LAMMPS restart files.  Furthermore, any history
+dependent bias potentials that were accumulated in previous calculations
+will be read in when the RESTART command is included in the PLUMED
+input.
 
 The "fix_modify"_fix_modify.html {energy} option is not supported by
 this fix.
@@ -97,10 +97,7 @@ This fix is part of the USER-PLUMED package.  It is only enabled if
 LAMMPS was built with that package.  See the "Build
 package"_Build_package.html doc page for more info.
 
-There can only be one plumed fix active at a time. Since the interface
-communicates only the minimum amount of information and since the PLUMED
-module itself can handle an arbitrary number of analysis and biasing
-methods, this is not a limitation of functionality.
+There can only be one plumed fix active at a time.
 
 [Related commands:]
 
@@ -115,3 +112,6 @@ The default options are plumedfile = NULL and outfile = NULL
 
 :link(PLUMED)
 [(PLUMED)] G.A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni and G. Bussi, Comp. Phys. Comm 185, 604 (2014)
+
+:link(plumeddocs,http://www.plumed.org/documentation)
+:link(plumedhome,http://www.plumed.org/)

From 4d9e2a014b69429af54d2c05441875824df88c16 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 11:35:04 -0500
Subject: [PATCH 125/273] add detailed build instructions and discussion of
 linkage modes for PLUMED library and USER-PLUMED package

---
 doc/src/Build_extras.txt | 128 +++++++++++++++++++++++++--------------
 1 file changed, 82 insertions(+), 46 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 3b685a44e3..8881ee44c1 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -715,62 +715,98 @@ a corresponding Makefile.lammps.machine file.
 
 USER-PLUMED package :h4,link(user-plumed)
 
+Before building LAMMPS with this package, you must first build PLUMED.
+PLUMED can be built as part of the LAMMPS build or installed separately
+from LAMMPS using the generic "plumed installation instructions"_plumedinstall.
+:link(plumedinstall,http://plumed.github.io/doc-master/user-doc/html/_installation.html)
+
+PLUMED can be linked into MD codes in three different modes: static,
+shared, and runtime.  With the "static" mode, all required PLUMED code
+is linked statically into the MD code. The MD code is then fully
+independent from the PLUMED installation, but also you have to
+rebuild/relink the MD code to update the PLUMED code inside it.  With
+"shared" linkage mode, the MD code is linked to a shared library
+containing the PLUMED code, preferably after it was installed in a
+globally accessible location. This way the same installed PLUMED code
+can be shared across multiple MD packages and can be updated, for as
+long as the shared PLUMED library is ABI-compatible. The third linkage
+mode is "runtime" which allows to switch the PLUMED kernel at runtime
+between different variants through setting the PLUMED_KERNEL environment
+varible, which has to point to the location of the libplumedKernel.so
+dynamical shared object, which is then loaded at runtime. This is
+particularly convenient for doing PLUMED development and comparing
+multiple PLUMED versions without having to recompile the hosting MD
+code. All three linkage modes are supported by LAMMPS on selected
+operating systems (e.g. Linux) and using either CMake or traditional
+make build. The "static" mode should be most portable, the "runtime"
+mode support in LAMMPS makes the most assumptions about operating
+system and compiler environment. If one mode does not work, try a
+different one, or switch to a different build system, or consider
+a global PLUMED installation or downloading it during building LAMMPS.
+
 [CMake build]:
 
+-D DOWNLOAD_PLUMED=value   # download PLUMED for build, value = no (default) or yes
+-D PLUMED_MODE=value       # Linkage mode for PLUMED, value = static (default), shared, or runtime :pre
+
+If DOWNLOAD_PLUMED is set to "yes", the PLUMED library will be
+downloaded (the version of that is hardcoded to a vetted version of
+PLUMED, usually a recent stable release version) and built inside the
+CMake build directory.  If DOWNLOAD_PLUMED is set to "no" (the default),
+CMake will try to detect an installed version of PLUMED and link to
+that. For this to work, the PLUMED library has to be installed into a
+location where the pkg-config tool can find it or the PKG_CONFIG_PATH
+environment variable has to be set up accordingly.
+
+The PLUMED_MODE setting determines the linkage mode of the PLUMED
+library.  Allowed values are "static" (default), "shared", or "runtime".
+For a discussion of PLUMED linkage modes, please see above.  When
+enabling DOWNLOAD_PLUMED, the static linkage mode is recommended.
+
 [Traditional make]:
 
-Before building LAMMPS with this package, you must first build PLUMED.
-We recommending building PLUMED separately to LAMMPS using the
-instructions that can be found at
-http://plumed.github.io/doc-master/user-doc/html/_installation.html.
-Before compiling LAMMPS you can then install the fix plumed command
-and compile LAMMPS in the usual manner:
+Before installing the USER-PLUMED package, first the PLUMED library
+needs to be configured so that LAMMPS can find the right settings when
+compiling and linking the LAMMPS executable itself. You can either
+download and build PLUMED inside the LAMMPS plumed library folder or use
+a previously installed PLUMED library and point LAMMPS to its
+location. You also have to choose the linkage mode: "static" (default),
+"shared" or "runtime".  For a discussion of PLUMED linkage modes, please
+see above.
+
+Download/compilation/configuration of the plumed library can be done
+from the src folder through the following make args:
+
+make lib-plumed                         # print help message
+make lib-plumed args="-b"               # download and build PLUMED in lib/plumed/plumed2
+make lib-plumed args="-p $HOME/.local"  # use existing PLUMED installation in $HOME/.local
+make lib-plumed args="-p /usr/local -m shared"  # use existing PLUMED installation in
+                                                # /usr/local and use shared linkage mode
+:pre
+
+Note that 2 symbolic (soft) links, "includelink" and "liblink" are
+created in lib/plumed to point into the location of the PLUMED build to
+use and also a new file lib/plumed/Makefile.lammps is created with
+settings suitable for LAMMPS to compile and link PLUMED in the desired
+linkage mode. After this step is compleded, you can install the
+USER-PLUMED package and compile LAMMPS in the usual manner:
 
 make yes-user-plumed 
 make machine :pre
 
-Once this compilation completes you should be able to run LAMMPS in
-the usual way.  When running LAMMPS with an input script that contains
-a fix plumed command LAMMPS will try to call the PLUMED runtime
-library.  PLUMED must therefore be available in your path if LAMMPS is
-compiled in this way.
+Once this compilation completes you should be able to run LAMMPS in the
+usual way.  For shared linkage mode, libplumed.so must be found by the
+LAMMPS executable, which on many operating systems means, you have to
+set the LD_LIBRARY_PATH environment variable accordingly.
 
-On some machines it is not possible to call runtime libraries in the
-way described above.  When compiling on these machines it is thus
-better to statically link PLUMED when compiling LAMMPS.  To do this
-you must either download a PLUMED tarball from
-http://www.plumed.org/get-it or clone it using git clone
-https://github.com/plumed/plumed2.git.  If you download the tarball
-unpack it in the /lib/plumed directory.  Similarly if you clone it
-clone it to the /lib/plumed directory as if there is a version of
-PLUMED within this directory LAMMPS will always try to statically link
-the version of PLUMED that this directory contains instead of
-dynamically linking the library.
+Support for the different linkage modes in LAMMPS varies for different
+operating systems, using the static linkage is expected to be the most
+portable, and thus set to be the default.
 
-Once you have downloaded PLUMED into /lib/plumed you must again build
-the code here by following the instructions that can be found at
-http://plumed.github.io/doc-master/user-doc/html/_installation.html.
-
-You can statically link PLUMED manually and if you want to access the
-full range of PLUMED functionalities this is what you should do.  If
-you only want the basic range of functionalities, however, (i.e. no
-user contributed modules) then you can download and compile PLUMED in
-one step from the lammps/src dir, using a command like like those
-below:
-
-make lib-plumed                       # print help message
-make lib-plumed  args="-b"            # download and build the latest stable version of PLUMED
-
-These commands will simply invoke the lib/plumed/Install.py script
-with args specified.  Furthermore, once the script has completed you
-should have a compiled version of PLUMED.  With this built you can
-install/un-install PLUMED and build LAMMPS in the usual manner:
-
-make yes-user-plumed
-make machine :pre
-
-make no-user-plumed
-make machine :pre
+If you want to change the linkage mode, you have to re-run "make
+lib-plumed" with the desired settings [and] do a reinstall if the
+USER-PLUMED package with "make yes-user-plumed" to update the required
+makefile settings with the changes in the lib/plumed folder.
 
 :line
 

From d5f222464b4742331e71dcb421696dbc2b852c6b Mon Sep 17 00:00:00 2001
From: Christoph Junghans <christoph.junghans@gmail.com>
Date: Thu, 15 Nov 2018 09:48:46 -0700
Subject: [PATCH 126/273] Update README.md

---
 cmake/README.md | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/cmake/README.md b/cmake/README.md
index b9020bf4a9..90aba19a41 100644
--- a/cmake/README.md
+++ b/cmake/README.md
@@ -1494,8 +1494,8 @@ target API.
 </tr>
 <tr>
   <td><code>BIN2C</code> (CUDA only)</td>
-  <td>Path to bin2c executable</td>
-  <td>1st in path (if found)</td>
+  <td>Path to bin2c executable, will automatically pick up the first one in your $PATH.</td>
+  <td>(automatic)</td>
 </tr>
 </tbody>
 </table>
@@ -1652,8 +1652,8 @@ requires `gzip` to be in your `PATH`
 </tr>
 <tr>
   <td><code>GZIP_EXECUTABLE</code></td>
-  <td>path to gzip executable</td>
-  <td>1st in path (if found)</td>
+  <td>Path to gzip executable, will automatically pick up the first one in your $PATH.</td>
+  <td>(automatic)</td>
 </tr>
 </tbody>
 </table>
@@ -1683,8 +1683,8 @@ requires `ffmpeg` to be in your `PATH`
 </tr>
 <tr>
   <td><code>FFMPEG_EXECUTABLE</code></td>
-  <td>path to ffmpeg executable</td>
-  <td>1st in path (if found)</td>
+  <td>Path to ffmpeg executable, will automatically pick up the first one in your $PATH.</td>
+  <td>(automatic)</td>
 </tr>
 </tbody>
 </table>

From e1603763657826355ff25ee01a5db215d4da32f9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 12:45:15 -0500
Subject: [PATCH 127/273] incomplete first draft. committed for checking the
 markup in github.

---
 doc/github-development-workflow.md | 82 ++++++++++++++++++++++++++++++
 1 file changed, 82 insertions(+)
 create mode 100644 doc/github-development-workflow.md

diff --git a/doc/github-development-workflow.md b/doc/github-development-workflow.md
new file mode 100644
index 0000000000..b81dbb417e
--- /dev/null
+++ b/doc/github-development-workflow.md
@@ -0,0 +1,82 @@
+# Outline of the GitHub Development Workflow
+
+This purpose of this document is to provide a point of reference for the
+core LAMMPS developers and other LAMMPS contibutors to understand the
+choices the LAMMPS developers have agreed on. Git and GitHub provide the
+tools, but do not set policies, so it is up to the developers to come to
+an agreement as to how to define and interpret policies. This document
+is likely to change as our experiences and needs change and we try to
+adapt accordingly. Last change 2018-11-15.
+
+## Table of Contents
+
+  * [GitHub Merge Management](#github-merge-management)
+  * [Pull Requests](#pull-requests)
+    * [Pull Request Assignments](#pull-request-assignments)
+    * [Pull Request Reviews](#pull-request-reviews)
+    * [Pull Request Discussions](#pull-request-discussions)
+    * [Checklist for Pull Requests](#checklist-for-pull-requests)
+  * [GitHub Issues](#github-issues)
+    * [Feature Request Issues](#feature-request-issues)
+    * [Bug Report Issues](#bug-report-issues)
+  * [Milestones and Release Planning](#milestones-and-release-planning)
+
+## GitHub Merge Management
+
+In the interest of consistency, ONLY ONE of the core LAMMPS developers
+should doing the merging itself.  This is currently @akohlmey (Axel
+Kohlmeyer).  If this assignment needs to be changed, it shall be done
+right after a stable release.
+
+## Pull Requests
+
+ALL changes to the LAMMPS code and documentation, however trivial, MUST
+be submitted as a pull request to GitHub. All changes to the "master"
+branch must be made exclusively through merging pull requests. The
+"unstable" and "stable" branches are only to be updated upon patch or
+stable releases with fast-forward merges based on the associated
+tags. Pull requests may also be submitted to (long-running) feature
+branches created by LAMMPS developers inside the LAMMPS project, if
+needed. Those are not subject to the merge and review restrictions
+discussed in this document, though.
+
+### Pull Request Assignments
+
+Pull requests can be "chaperoned" by one of the LAMMPS core developers.
+This is indicated by who the pull request is assigned to. LAMMPS core
+developers can self-assign or they can decide to assign a pull request
+to a different LAMMPS developer. Being assigned to a pull request means,
+that this pull request may need some work and the assignee is tasked to
+determine what this might be needed or not, and may either implement the
+required changes or ask the submitter of the pull request to implement
+them.  Even though, all LAMMPS developers may have write access to pull
+requests (if enabled by the submitter, which is the default), only the
+submitter or the assignee of a pull request may do so.  During this
+period the "work_in_progress" label shall be applied to the pull
+request.  The assignee gets to decide what happens to the pull request
+next, e.g. whether it should be assigned to a different developer for
+additional checks and changes, or is recommended to be merged.  Removing
+the "work_in_progress" label and assigning the pull request to the
+developer tasked with merging signals that a pull request is ready to be
+merged.
+
+### Pull Request Reviews
+
+People can be assigned to review a pull request in two ways:
+  * They can be assigned manually to review a pull request
+    by the submitter or a LAMMPS developer
+  * They can be automatically assigned, because 
+developer
+
+### Pull Request Discussions
+
+### Checklist for Pull Requests
+
+## GitHub Issues
+
+### Feature Request Issues
+
+### Bug Report Issues
+
+## Milestones and Release Planning
+

From db29ec7eee14cef6f256fbe7190f7b262fc0a472 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 14:58:02 -0500
Subject: [PATCH 128/273] complete workflow document

---
 doc/github-development-workflow.md | 132 +++++++++++++++++++++++++----
 1 file changed, 117 insertions(+), 15 deletions(-)

diff --git a/doc/github-development-workflow.md b/doc/github-development-workflow.md
index b81dbb417e..31fd3f23f0 100644
--- a/doc/github-development-workflow.md
+++ b/doc/github-development-workflow.md
@@ -17,28 +17,28 @@ adapt accordingly. Last change 2018-11-15.
     * [Pull Request Discussions](#pull-request-discussions)
     * [Checklist for Pull Requests](#checklist-for-pull-requests)
   * [GitHub Issues](#github-issues)
-    * [Feature Request Issues](#feature-request-issues)
-    * [Bug Report Issues](#bug-report-issues)
   * [Milestones and Release Planning](#milestones-and-release-planning)
 
 ## GitHub Merge Management
 
 In the interest of consistency, ONLY ONE of the core LAMMPS developers
-should doing the merging itself.  This is currently @akohlmey (Axel
-Kohlmeyer).  If this assignment needs to be changed, it shall be done
-right after a stable release.
+should doing the merging itself.  This is currently
+[@akohlmey](https://github.com/akohlmey) (Axel Kohlmeyer).
+If this assignment needs to be changed, it shall be done right after a
+stable release.
 
 ## Pull Requests
 
 ALL changes to the LAMMPS code and documentation, however trivial, MUST
 be submitted as a pull request to GitHub. All changes to the "master"
 branch must be made exclusively through merging pull requests. The
-"unstable" and "stable" branches are only to be updated upon patch or
-stable releases with fast-forward merges based on the associated
-tags. Pull requests may also be submitted to (long-running) feature
-branches created by LAMMPS developers inside the LAMMPS project, if
-needed. Those are not subject to the merge and review restrictions
-discussed in this document, though.
+"unstable" and "stable" branches, respectively are only to be updated
+upon patch or stable releases with fast-forward merges based on the
+associated tags. Pull requests may also be submitted to (long-running)
+feature branches created by LAMMPS developers inside the LAMMPS project,
+if needed. Those are not subject to the merge and review restrictions
+discussed in this document, though, but get manages as needed on a
+case-by-case basis.
 
 ### Pull Request Assignments
 
@@ -63,20 +63,122 @@ merged.
 ### Pull Request Reviews
 
 People can be assigned to review a pull request in two ways:
+
   * They can be assigned manually to review a pull request
     by the submitter or a LAMMPS developer
-  * They can be automatically assigned, because 
-developer
+  * They can be automatically assigned, because a developers matches
+    a file pattern in the `.github/CODEOWNERS` file, which associates
+    developers with the code they contributed and maintain.
+
+Reviewers are requested to state their appraisal of the proposed changes
+and either approve or request changes. People may unassign themselves
+from review, if they feel not competent about the changes proposed. At
+least one review from a LAMMPS developer with write access is required
+before merging in addition to the automated compilation tests.  The
+feature, that reviews from code owners are "hard" reviews (i.e. they
+must all be approved before merging is allowed), is currently disabled
+and it is in the discretion of the merge maintainer to assess when
+a sufficient degree of approval has been reached.  Reviews may be
+(automatically) dismissed, when the reviewed code has been changed,
+and then approval is required a second time.
 
 ### Pull Request Discussions
 
+All discussions about a pull request should be kept as much as possible
+on the pull request discussion page on GitHub, so that other developers
+can later review the entire discussion after the fact and understand the
+rationale behind choices made.  Exceptions to this policy are technical
+discussions, that are centered on tools or policies themselves
+(git, github, c++) rather than on the content of the pull request.
+
 ### Checklist for Pull Requests
 
+Here are some items to check:
+  * source and text files should not have CR/LF line endings (use dos2unix to remove)
+  * every new command or style should have documentation. The names of
+  source files (c++ and manual) should follow the name of the style.
+  (example: `src/fix_nve.cpp`, `src/fix_nve.h` for `fix nve` command,
+  implementing the class `FixNVE`, documented in `doc/src/fix_nve.txt`)
+  * all new style names should be lower case, the must be no dashes,
+  blanks, or underscores separating words, only forward slashes.
+  * new style docs should be added to the "overview" files in
+  `doc/src/Commands_*.txt`, `doc/src/{fixes,computes,pairs,bonds,...}.txt`
+  and `doc/src/lammps.book`
+  * new files in packages should be added to `src/.gitignore`
+  * removed or renamed files in packages should be added to `src/Purge.list`
+  * C++ source files should use C++ style include files for accessing
+  C-library APIs, e.g. `#include <cstdlib>` instead of `#include <stdlib.h>`.
+  And they should use angular brackets instead of double quotes. Full list:
+    * assert.h -> cassert
+    * ctype.h -> cctype
+    * errno.h -> cerrno
+    * float.h -> cfloat
+    * limits.h -> climits
+    * math.h -> cmath
+    * omplex.h -> complex
+    * setjmp.h -> csetjmp
+    * signal.h -> csignal
+    * stddef.h -> cstddef
+    * stdint.h -> cstdint
+    * stdio.h -> cstdio
+    * stdlib.h -> cstdlib
+    * string.h -> cstring
+    * time.h -> ctime
+  Do not replace (as they are C++-11): `inttypes.h` and `stdint.h`.
+  * Code should follow the C++-98 standard. C++-11 is only accepted
+  in individual special purpose packages
+  * indentation is two spaces per level
+  * there should be no tabs and no trailing whitespace
+  * header files, especially of new styles, should not include any
+  other headers, except the header with the base class or cstdio.
+  Forward declarations should be used instead when possible.
+  * iostreams should be avoided. LAMMPS uses stdio from the C-library.
+  * use of STL in headers and class definitions should be avoided.
+  * static class members should be avoided at all cost.
+  * anything storing atom IDs should be using `tagint` and not `int`.
+  This can be flagged by the compiler only for pointers and only when
+  compiling LAMMPS with `-DLAMMPS_BIGBIG`.
+  * when including both `lmptype.h` (and using defines or macros from it)
+  and `mpi.h`, `lmptype.h` must be included first.
+
 ## GitHub Issues
 
-### Feature Request Issues
+The GitHub issue tracker is the location where the LAMMPS developers
+and other contributors or LAMMPS users can report issues or bugs with
+the LAMMPS code or request new features to be added. Feature requests
+are usually indicated by a `[Feature Request]` marker in the subject.
+Issues are assigned to a person, if this person is working on this
+feature or working to resolve an issue. Issues that have nobody working
+on them at the moment, have the label `volunteer needed` attached.
 
-### Bug Report Issues
+When an issue, say `#125` is resolved by a specific pull request,
+the comment for the pull request shall contain the text `closes #125`
+or `fixes #125`, so that the issue is automatically deleted when
+the pull request is merged.
 
 ## Milestones and Release Planning
 
+LAMMPS uses a continuous release development model with incremental
+changes, i.e. significant effort is made - including automated pre-merge
+testing - that the code in the branch "master" does not get broken.
+More extensive testing (including regression testing) is performed after
+code is merged to the "master" branch. There are patch releases of
+LAMMPS every 1-3 weeks at a point, when the LAMMPS developers feel, that
+a sufficient amount of changes have happened, and the post-merge testing
+has been successful. These patch releases are marked with a
+`patch_<version date>` tag and the "unstable" branch follows only these
+versions (and thus is always supposed to be of production quality,
+unlike "master", which may be temporary broken, in the case of larger
+change sets or unexpected incompatibilities or side effects.
+
+About 3-4 times each year, there are going to be "stable" releases
+of LAMMPS.  These have seen additional, manual testing and review of
+results from testing with instrumented code and static code analysis.
+Also, in the last 2-3 patch releases before a stable release are
+"release candidate" versions which only contain bugfixes and
+documentation updates.  For release planning and the information of
+code contributors, issues and pull requests being actively worked on
+are assigned a "milestone", which corresponds to the next stable
+release or the stable release after that, with a tentative release
+date.
+

From eae9d27f6d37ec7f935a5e3112fa34b7f78f5fea Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 16:03:33 -0500
Subject: [PATCH 129/273] OpenMP support from the compiler is not a requirement
 for USER-OMP. Without OpenMP, it is like the OPT package but for many more
 styles, so it is still useful and should be supported.

---
 cmake/CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index cc5a3356a6..6d559bebe3 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -304,7 +304,7 @@ pkg_depends(USER-SCAFACOS MPI)
 
 find_package(OpenMP QUIET)
 option(BUILD_OMP "Build with OpenMP support" ${OpenMP_FOUND})
-if(BUILD_OMP OR PKG_USER-OMP OR PKG_KOKKOS OR PKG_USER-INTEL)
+if(BUILD_OMP OR PKG_KOKKOS OR PKG_USER-INTEL)
   find_package(OpenMP REQUIRED)
   set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
   set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")

From 1fc3b4618c5d015255ed8d9f1afb76f3fc623950 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 16:31:04 -0500
Subject: [PATCH 130/273] remove dead code and silence compiler warnings

---
 src/BODY/pair_body_rounded_polygon.cpp       |  2 +-
 src/MISC/pair_nm_cut.cpp                     |  8 -------
 src/MISC/pair_nm_cut_coul_cut.cpp            |  8 -------
 src/MISC/pair_nm_cut_coul_long.cpp           |  8 -------
 src/MOLECULE/fix_cmap.cpp                    |  2 +-
 src/POEMS/fix_poems.cpp                      | 22 ++++++--------------
 src/REPLICA/fix_hyper_local.cpp              |  2 +-
 src/REPLICA/fix_hyper_local.h                |  4 ++--
 src/SPIN/pair_spin_exchange.cpp              |  2 +-
 src/USER-CGDNA/pair_oxdna2_coaxstk.cpp       | 10 ++-------
 src/USER-MISC/compute_stress_mop.cpp         |  9 ++++----
 src/USER-MISC/compute_stress_mop_profile.cpp | 15 +++++++------
 src/USER-MISC/compute_stress_mop_profile.h   |  1 -
 src/USER-MISC/fix_ffl.cpp                    |  8 +++----
 src/USER-MISC/fix_filter_corotate.cpp        | 11 ++++------
 src/USER-OMP/fix_omp.cpp                     |  2 ++
 src/USER-OMP/thr_omp.h                       |  1 +
 src/compute_chunk_atom.cpp                   |  4 ++--
 src/compute_dihedral_local.h                 |  2 +-
 src/create_bonds.cpp                         |  2 +-
 src/displace_atoms.cpp                       |  4 ++--
 src/dump_image.cpp                           |  2 +-
 src/fix_deform.cpp                           |  2 +-
 src/fix_move.cpp                             |  2 +-
 src/input.cpp                                |  2 +-
 src/set.cpp                                  |  2 +-
 src/variable.cpp                             |  4 ++--
 src/velocity.cpp                             |  4 ++--
 src/write_dump.cpp                           |  2 +-
 29 files changed, 51 insertions(+), 96 deletions(-)

diff --git a/src/BODY/pair_body_rounded_polygon.cpp b/src/BODY/pair_body_rounded_polygon.cpp
index 6a176f1083..9040817772 100644
--- a/src/BODY/pair_body_rounded_polygon.cpp
+++ b/src/BODY/pair_body_rounded_polygon.cpp
@@ -107,7 +107,7 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
   int nei,nej,iefirst,jefirst;
   double xtmp,ytmp,ztmp,delx,dely,delz,evdwl;
   double rsq,rsqinv,r,radi,radj,eradi,eradj,rradi,rradj,k_nij,k_naij;
-  double xi[3],xj[3],facc[3];
+  double facc[3];
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = 0.0;
diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp
index ce077a7a04..4b1611b137 100644
--- a/src/MISC/pair_nm_cut.cpp
+++ b/src/MISC/pair_nm_cut.cpp
@@ -274,14 +274,6 @@ double PairNMCut::init_one(int i, int j)
     }
     MPI_Allreduce(count,all,2,MPI_DOUBLE,MPI_SUM,world);
 
-    double rr1 = mm[i][j]*(nn[i][j]-1)*pow(r0[i][j],nn[i][j]);
-    double rr2 = nn[i][j]*(mm[i][j]-1)*pow(r0[i][j],mm[i][j]);
-    double p1 = 1-nn[i][j];
-    double p2 = 1-mm[i][j];
-
-    double rrr1 = pow(r0[i][j],nn[i][j])*(1-nn[i][j]);
-    double rrr2 = pow(r0[i][j],mm[i][j])*(1-mm[i][j]);
-
     double cut3 = cut[i][j]*cut[i][j]*cut[i][j];
     ptail_ij = 2.*MY_PI/3.*all[0]*all[1]*e0nm[i][j]*nm[i][j]*cut3 *
       (pow(r0[i][j]/cut[i][j],nn[i][j])/(nn[i][j]-3) - pow(r0[i][j]/cut[i][j],mm[i][j])/(mm[i][j]-3));
diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp
index b807bc972b..999fab1d6e 100644
--- a/src/MISC/pair_nm_cut_coul_cut.cpp
+++ b/src/MISC/pair_nm_cut_coul_cut.cpp
@@ -324,14 +324,6 @@ double PairNMCutCoulCut::init_one(int i, int j)
     }
     MPI_Allreduce(count,all,2,MPI_DOUBLE,MPI_SUM,world);
 
-    double rr1 = mm[i][j]*(nn[i][j]-1)*pow(r0[i][j],nn[i][j]);
-    double rr2 = nn[i][j]*(mm[i][j]-1)*pow(r0[i][j],mm[i][j]);
-    double p1 = 1-nn[i][j];
-    double p2 = 1-mm[i][j];
-
-    double rrr1 = pow(r0[i][j],nn[i][j])*(1-nn[i][j]);
-    double rrr2 = pow(r0[i][j],mm[i][j])*(1-mm[i][j]);
-
     double cut_lj3 = cut_lj[i][j]*cut_lj[i][j]*cut_lj[i][j];
     ptail_ij = 2.*MY_PI/3.*all[0]*all[1]*e0nm[i][j]*nm[i][j]*cut_lj3 *
       (pow(r0[i][j]/cut_lj[i][j],nn[i][j])/(nn[i][j]-3) - pow(r0[i][j]/cut_lj[i][j],mm[i][j])/(mm[i][j]-3));
diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp
index 325f3da003..fb82436dba 100644
--- a/src/MISC/pair_nm_cut_coul_long.cpp
+++ b/src/MISC/pair_nm_cut_coul_long.cpp
@@ -371,14 +371,6 @@ double PairNMCutCoulLong::init_one(int i, int j)
     }
     MPI_Allreduce(count,all,2,MPI_DOUBLE,MPI_SUM,world);
 
-    double rr1 = mm[i][j]*(nn[i][j]-1)*pow(r0[i][j],nn[i][j]);
-    double rr2 = nn[i][j]*(mm[i][j]-1)*pow(r0[i][j],mm[i][j]);
-    double p1 = 1-nn[i][j];
-    double p2 = 1-mm[i][j];
-
-    double rrr1 = pow(r0[i][j],nn[i][j])*(1-nn[i][j]);
-    double rrr2 = pow(r0[i][j],mm[i][j])*(1-mm[i][j]);
-
     double cut_lj3 = cut_lj[i][j]*cut_lj[i][j]*cut_lj[i][j];
     ptail_ij = 2.*MY_PI/3.*all[0]*all[1]*e0nm[i][j]*nm[i][j]*cut_lj3 *
       (pow(r0[i][j]/cut_lj[i][j],nn[i][j])/(nn[i][j]-3) - pow(r0[i][j]/cut_lj[i][j],mm[i][j])/(mm[i][j]-3));
diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp
index a889a8d0db..ec2588e61b 100644
--- a/src/MOLECULE/fix_cmap.cpp
+++ b/src/MOLECULE/fix_cmap.cpp
@@ -943,7 +943,7 @@ double FixCMAP::dihedral_angle_atan2(double fx, double fy, double fz,
 {
   // calculate the dihedral angle
 
-  double angle, arg1, arg2;
+  double angle = 0.0, arg1, arg2;
 
   arg1 = absg*(fx*bx+fy*by+fz*bz);
   arg2 = ax*bx+ay*by+az*bz;
diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp
index f345d52aab..a01878bffd 100644
--- a/src/POEMS/fix_poems.cpp
+++ b/src/POEMS/fix_poems.cpp
@@ -748,19 +748,9 @@ void FixPOEMS::initial_integrate(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
-void FixPOEMS::post_force(int vflag)
+void FixPOEMS::post_force(int /* vflag */)
 {
   if (earlyflag) compute_forces_and_torques();
-
-  /*
-  for (int ibody = 0; ibody < nbody; ibody++) {
-    if (ibody == 0) {
-    printf("PFF %d %g %g %g\n",ibody,fcm[ibody][0],fcm[ibody][1],fcm[ibody][2]);
-    printf("PFT %d %g %g %g\n",ibody,
-           torque[ibody][0],torque[ibody][1],torque[ibody][2]);
-    }
-  }
-  */
 }
 
 /* ----------------------------------------------------------------------
@@ -850,7 +840,7 @@ void FixPOEMS::final_integrate()
 
 /* ---------------------------------------------------------------------- */
 
-void FixPOEMS::initial_integrate_respa(int vflag, int ilevel, int iloop)
+void FixPOEMS::initial_integrate_respa(int vflag, int ilevel, int /* iloop */)
 {
   dtv = step_respa[ilevel];
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
@@ -862,14 +852,14 @@ void FixPOEMS::initial_integrate_respa(int vflag, int ilevel, int iloop)
 
 /* ---------------------------------------------------------------------- */
 
-void FixPOEMS::post_force_respa(int vflag, int ilevel, int iloop)
+void FixPOEMS::post_force_respa(int vflag, int ilevel, int /* iloop */)
 {
   if (ilevel == nlevels_respa-1) post_force(vflag);
 }
 
 /* ---------------------------------------------------------------------- */
 
-void FixPOEMS::final_integrate_respa(int ilevel, int iloop)
+void FixPOEMS::final_integrate_respa(int ilevel, int /* iloop */)
 {
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
   final_integrate();
@@ -949,7 +939,7 @@ int FixPOEMS::dof(int igroup)
          thus this routine does nothing for now
 ------------------------------------------------------------------------- */
 
-void FixPOEMS::deform(int flag) {}
+void FixPOEMS::deform(int /* flag */) {}
 
 /* ---------------------------------------------------------------------- */
 
@@ -1607,7 +1597,7 @@ void FixPOEMS::grow_arrays(int nmax)
    copy values within local atom-based arrays
 ------------------------------------------------------------------------- */
 
-void FixPOEMS::copy_arrays(int i, int j, int delflag)
+void FixPOEMS::copy_arrays(int i, int j, int /* delflag */)
 {
   natom2body[j] = natom2body[i];
   for (int k = 0; k < natom2body[j]; k++) atom2body[j][k] = atom2body[i][k];
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index dac88a8efa..4868cd75de 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -716,7 +716,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
     if (update->ntimestep % histo_print == 0) {
       MPI_Allreduce(histo,allhisto,histo_count+2,MPI_LMP_BIGINT,MPI_SUM,world);
 
-      bigint total;
+      bigint total = 0;
       for (i = 0; i < histo_count+2; i++) total += allhisto[i];
 
       if (me == 0) {
diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h
index 9fe4d03fb9..967101837e 100644
--- a/src/REPLICA/fix_hyper_local.h
+++ b/src/REPLICA/fix_hyper_local.h
@@ -87,7 +87,7 @@ class FixHyperLocal : public FixHyper {
   int nevent;                // # of events that trigger bond rebuild
   int nevent_atom;           // # of atoms that experienced an event
   double cutbondsq,dcutsq;
-  double beta,t_hyper,invqfactorsq;
+  double beta,invqfactorsq;
   double mybias;
   double maxbondlen;         // cummulative max length of any bond
   double maxdriftsq;         // max distance any atom drifts from original pos
@@ -147,7 +147,7 @@ class FixHyperLocal : public FixHyper {
 
   // histogramming of bond boost cooeficients
 
-  int histo_flag,histo_every,histo_count,histo_print,histo_steps;
+  int histo_every,histo_count,histo_print,histo_steps;
   double histo_delta,invhisto_delta,histo_lo;
   bigint *histo,*allhisto;
 };
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index cc074bb97d..72a4c0d7de 100644
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -323,7 +323,7 @@ void PairSpinExchange::compute_single_pair(int ii, double fmi[3])
   double **x = atom->x;
   double **sp = atom->sp;
   double local_cut2;
-  double xi[3], rij[3];
+  double xi[3];
   double delx,dely,delz;
   double spj[3];
 
diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
index d31890ea52..569f911eb9 100644
--- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
@@ -103,9 +103,9 @@ PairOxdna2Coaxstk::~PairOxdna2Coaxstk()
 void PairOxdna2Coaxstk::compute(int eflag, int vflag)
 {
 
-  double delf[3],delt[3],delta[3],deltb[3]; // force, torque increment;
+  double delf[3],delta[3],deltb[3]; // force, torque increment;
   double evdwl,fpair,finc,tpair,factor_lj;
-  double v1tmp[3],v2tmp[3],v3tmp[3];
+  double v1tmp[3];
   double delr_ss[3],delr_ss_norm[3],rsq_ss,r_ss,rinv_ss;
   double delr_st[3],delr_st_norm[3],rsq_st,r_st,rinv_st;
   double theta1,theta1p,t1dir[3],cost1;
@@ -114,12 +114,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
   double theta6,theta6p,t6dir[3],cost6;
   double cosphi3;
 
-  double gamma,gammacub,rinv_ss_cub,fac;
-  double aybx,azbx,rax,ray,raz,rbx;
-  double dcdr,dcdrbx;
-  double dcdaxbx,dcdaybx,dcdazbx;
-  double dcdrax,dcdray,dcdraz;
-
   // distances COM-backbone site, COM-stacking site
   double d_cs=-0.4, d_cst=+0.34;
   // vectors COM-backbone site, COM-stacking site in lab frame
diff --git a/src/USER-MISC/compute_stress_mop.cpp b/src/USER-MISC/compute_stress_mop.cpp
index e63dff507f..e496fd4dfa 100644
--- a/src/USER-MISC/compute_stress_mop.cpp
+++ b/src/USER-MISC/compute_stress_mop.cpp
@@ -210,7 +210,7 @@ void ComputeStressMop::init()
 
 /* ---------------------------------------------------------------------- */
 
-void ComputeStressMop::init_list(int id, NeighList *ptr)
+void ComputeStressMop::init_list(int /* id */, NeighList *ptr)
 {
   list = ptr;
 }
@@ -246,9 +246,9 @@ void ComputeStressMop::compute_vector()
 void ComputeStressMop::compute_pairs()
 
 {
-  int i,j,m,n,ii,jj,inum,jnum,itype,jtype;
+  int i,j,m,ii,jj,inum,jnum,itype,jtype;
   double delx,dely,delz;
-  double rsq,eng,fpair,factor_coul,factor_lj;
+  double rsq,fpair,factor_coul,factor_lj;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   double *mass = atom->mass;
@@ -363,8 +363,7 @@ void ComputeStressMop::compute_pairs()
     // counts local particles transfers across the plane
 
     if (which[m] == KIN || which[m] == TOTAL){
-      double vcm[3];
-      double masstotal,sgn;
+      double sgn;
 
       for (int i = 0; i < nlocal; i++){
 
diff --git a/src/USER-MISC/compute_stress_mop_profile.cpp b/src/USER-MISC/compute_stress_mop_profile.cpp
index 02ad3ea453..9189318381 100644
--- a/src/USER-MISC/compute_stress_mop_profile.cpp
+++ b/src/USER-MISC/compute_stress_mop_profile.cpp
@@ -211,7 +211,7 @@ void ComputeStressMopProfile::init()
 
 /* ---------------------------------------------------------------------- */
 
-void ComputeStressMopProfile::init_list(int id, NeighList *ptr)
+void ComputeStressMopProfile::init_list(int /* id */, NeighList *ptr)
 {
   list = ptr;
 }
@@ -253,11 +253,11 @@ void ComputeStressMopProfile::compute_array()
 void ComputeStressMopProfile::compute_pairs()
 
 {
-  int i,j,m,n,ii,jj,inum,jnum,itype,jtype,ibin;
+  int i,j,m,ii,jj,inum,jnum,itype,jtype,ibin;
   double delx,dely,delz;
-  double rsq,eng,fpair,factor_coul,factor_lj;
+  double rsq,fpair,factor_coul,factor_lj;
   int *ilist,*jlist,*numneigh,**firstneigh;
-  double pos,pos1,pos_temp;    
+  double pos,pos1;    
 
   double *mass = atom->mass;
   int *type = atom->type;
@@ -385,8 +385,7 @@ void ComputeStressMopProfile::compute_pairs()
 
     if (which[m] == KIN || which[m] == TOTAL){
 
-      double vcm[3];
-      double masstotal,sgn;
+      double sgn;
 
       for (int i = 0; i < nlocal; i++){
 
@@ -449,8 +448,8 @@ void ComputeStressMopProfile::compute_pairs()
 
 void ComputeStressMopProfile::setup_bins()
 {
-  int i,j,k,m,n;
-  double lo,hi,coord1,coord2;
+  int i,n;
+  double lo = 0.0, hi = 0.0;
 
   double *boxlo,*boxhi,*prd;
   boxlo = domain->boxlo;
diff --git a/src/USER-MISC/compute_stress_mop_profile.h b/src/USER-MISC/compute_stress_mop_profile.h
index 648d86cc7f..0ab774f3db 100644
--- a/src/USER-MISC/compute_stress_mop_profile.h
+++ b/src/USER-MISC/compute_stress_mop_profile.h
@@ -50,7 +50,6 @@ namespace LAMMPS_NS {
     double **coord,**coordp;
     double **values_local,**values_global;
 
-    int ndim;
     double dt,nktv2p,ftm2v;
     double area;
     class NeighList *list;
diff --git a/src/USER-MISC/fix_ffl.cpp b/src/USER-MISC/fix_ffl.cpp
index e2fb0166a2..d2a57fd2d0 100644
--- a/src/USER-MISC/fix_ffl.cpp
+++ b/src/USER-MISC/fix_ffl.cpp
@@ -108,8 +108,6 @@ FixFFL::FixFFL(LAMMPS *lmp, int narg, char **arg) :
   }
 
   t_target=t_start;
-  const double kT = t_target * force->boltz / force->mvv2e;
-
 
   // initialize Marsaglia RNG with processor-unique seed
   // NB: this means runs will not be the same with different numbers of processors
@@ -298,7 +296,7 @@ void FixFFL::ffl_integrate() {
 
 }
 
-void FixFFL::initial_integrate(int vflag) {
+void FixFFL::initial_integrate(int /* vflag */) {
   double dtfm;
 
   // update v and x of atoms in group
@@ -391,7 +389,7 @@ void FixFFL::final_integrate() {
 }
 /* ---------------------------------------------------------------------- */
 
-void FixFFL::initial_integrate_respa(int vflag, int ilevel, int iloop) {
+void FixFFL::initial_integrate_respa(int vflag, int ilevel, int /* iloop */) {
   dtv = step_respa[ilevel];
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
 
@@ -406,7 +404,7 @@ void FixFFL::initial_integrate_respa(int vflag, int ilevel, int iloop) {
   }
 }
 
-void FixFFL::final_integrate_respa(int ilevel, int iloop) {
+void FixFFL::final_integrate_respa(int ilevel, int /* iloop */) {
 
   dtv = step_respa[ilevel];
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
diff --git a/src/USER-MISC/fix_filter_corotate.cpp b/src/USER-MISC/fix_filter_corotate.cpp
index 56ab2b3df9..717861e06f 100644
--- a/src/USER-MISC/fix_filter_corotate.cpp
+++ b/src/USER-MISC/fix_filter_corotate.cpp
@@ -592,14 +592,13 @@ void FixFilterCorotate::pre_neighbor()
       double c = (del2[0])*(del3[1]) - (del2[1])*(del3[0]);
       int signum = sgn(a*(del1[0]) + b*(del1[1]) + c*(del1[2]));
 
-      if (fabs(signum)!= 1)
+      if (abs(signum) != 1)
         error->all(FLERR,"Wrong orientation in cluster of size 4"
           "in fix filter/corotate!");
       clist_q0[i][8] *= signum;
       clist_q0[i][11] *= signum;
 
-    } else if (N == 5)
-    {
+    } else if (N == 5) {
       oxy = atom->map(shake_atom[m][0]);
       atom1 = atom->map(shake_atom[m][1]);
       atom2 = atom->map(shake_atom[m][2]);
@@ -666,14 +665,12 @@ void FixFilterCorotate::pre_neighbor()
       double c = (del2[0])*(del3[1]) - (del2[1])*(del3[0]);
       int signum = sgn(a*(del1[0]) + b*(del1[1]) + c*(del1[2]));
 
-      if (fabs(signum)!= 1)
+      if (abs(signum)!= 1)
         error->all(FLERR,"Wrong orientation in cluster of size 5"
           "in fix filter/corotate!");
       clist_q0[i][8] *= signum;
       clist_q0[i][11] *= signum;
-    }
-    else
-    {
+    } else {
       error->all(FLERR,"Fix filter/corotate cluster with size > 5"
         "not yet configured...");
     }
diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp
index 8be54caada..a4587b1c14 100644
--- a/src/USER-OMP/fix_omp.cpp
+++ b/src/USER-OMP/fix_omp.cpp
@@ -80,7 +80,9 @@ FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg)
   if (nthreads < 1)
     error->all(FLERR,"Illegal number of OpenMP threads requested");
 
+#if defined(_OPENMP)
   int reset_thr = 0;
+#endif
   if (nthreads != comm->nthreads) {
 #if defined(_OPENMP)
     reset_thr = 1;
diff --git a/src/USER-OMP/thr_omp.h b/src/USER-OMP/thr_omp.h
index 0821f8cea0..87d921290e 100644
--- a/src/USER-OMP/thr_omp.h
+++ b/src/USER-OMP/thr_omp.h
@@ -185,6 +185,7 @@ static inline void loop_setup_thr(int &ifrom, int &ito, int &tid,
   tid = 0;
   ifrom = 0;
   ito = inum;
+  nthreads = 1;
 #endif
 }
 
diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp
index ddad7eb62f..61b653b375 100644
--- a/src/compute_chunk_atom.cpp
+++ b/src/compute_chunk_atom.cpp
@@ -66,7 +66,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
 
   // chunk style and its args
 
-  int iarg;
+  int iarg = 0;
 
   binflag = 0;
   ncoord = 0;
@@ -248,7 +248,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
     } else if (strcmp(arg[iarg],"bound") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal compute chunk/atom command");
-      int idim;
+      int idim = 0;
       if (strcmp(arg[iarg+1],"x") == 0) idim = 0;
       else if (strcmp(arg[iarg+1],"y") == 0) idim = 1;
       else if (strcmp(arg[iarg+1],"z") == 0) idim = 2;
diff --git a/src/compute_dihedral_local.h b/src/compute_dihedral_local.h
index d5f6a64183..5c50a66e96 100644
--- a/src/compute_dihedral_local.h
+++ b/src/compute_dihedral_local.h
@@ -33,7 +33,7 @@ class ComputeDihedralLocal : public Compute {
   double memory_usage();
 
  private:
-  int nvalues,nvar,ncount,setflag,tflag;
+  int nvalues,nvar,ncount,setflag;
 
   int pvar;
   int *bstyle,*vvar;
diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp
index 751c4746ba..e19b565554 100644
--- a/src/create_bonds.cpp
+++ b/src/create_bonds.cpp
@@ -54,7 +54,7 @@ void CreateBonds::command(int narg, char **arg)
 
   int style;
 
-  int iarg;
+  int iarg = 0;
   if (strcmp(arg[0],"many") == 0) {
     style = MANY;
     if (narg != 6) error->all(FLERR,"Illegal create_bonds command");
diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp
index 04088bec8c..7b29b1d3d5 100644
--- a/src/displace_atoms.cpp
+++ b/src/displace_atoms.cpp
@@ -118,7 +118,7 @@ void DisplaceAtoms::command(int narg, char **arg)
 
   if (style == RAMP) {
 
-    int d_dim;
+    int d_dim = 0;
     if (strcmp(arg[2],"x") == 0) d_dim = 0;
     else if (strcmp(arg[2],"y") == 0) d_dim = 1;
     else if (strcmp(arg[2],"z") == 0) d_dim = 2;
@@ -136,7 +136,7 @@ void DisplaceAtoms::command(int narg, char **arg)
       d_hi = zscale*force->numeric(FLERR,arg[4]);
     }
 
-    int coord_dim;
+    int coord_dim = 0;
     if (strcmp(arg[5],"x") == 0) coord_dim = 0;
     else if (strcmp(arg[5],"y") == 0) coord_dim = 1;
     else if (strcmp(arg[5],"z") == 0) coord_dim = 2;
diff --git a/src/dump_image.cpp b/src/dump_image.cpp
index a488f65161..0d63d2e4cb 100644
--- a/src/dump_image.cpp
+++ b/src/dump_image.cpp
@@ -1290,7 +1290,7 @@ int DumpImage::modify_param(int narg, char **arg)
   if (strcmp(arg[0],"amap") == 0) {
     if (narg < 6) error->all(FLERR,"Illegal dump_modify command");
     if (strlen(arg[3]) != 2) error->all(FLERR,"Illegal dump_modify command");
-    int factor;
+    int factor = 0;
     if (arg[3][0] == 's') factor = 1;
     else if (arg[3][0] == 'c') factor = 2;
     else if (arg[3][0] == 'd') factor = 3;
diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp
index c960c310f6..909ead3e2a 100644
--- a/src/fix_deform.cpp
+++ b/src/fix_deform.cpp
@@ -802,7 +802,7 @@ void FixDeform::end_of_step()
       // tilt_target can be large positive or large negative value
       // add/subtract box lengths until tilt_target is closest to current value
 
-      int idenom;
+      int idenom = 0;
       if (i == 5) idenom = 0;
       else if (i == 4) idenom = 0;
       else if (i == 3) idenom = 1;
diff --git a/src/fix_move.cpp b/src/fix_move.cpp
index 2f9fb0ebaa..0a5f506ab2 100644
--- a/src/fix_move.cpp
+++ b/src/fix_move.cpp
@@ -68,7 +68,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
 
   // parse args
 
-  int iarg;
+  int iarg = 0;
 
   if (strcmp(arg[3],"linear") == 0) {
     if (narg < 7) error->all(FLERR,"Illegal fix move command");
diff --git a/src/input.cpp b/src/input.cpp
index f9dd1ec314..8af8da26be 100644
--- a/src/input.cpp
+++ b/src/input.cpp
@@ -1138,7 +1138,7 @@ void Input::partition()
 {
   if (narg < 3) error->all(FLERR,"Illegal partition command");
 
-  int yesflag;
+  int yesflag = 0;
   if (strcmp(arg[0],"yes") == 0) yesflag = 1;
   else if (strcmp(arg[0],"no") == 0) yesflag = 0;
   else error->all(FLERR,"Illegal partition command");
diff --git a/src/set.cpp b/src/set.cpp
index 7eca4e9a9c..34b86ea328 100644
--- a/src/set.cpp
+++ b/src/set.cpp
@@ -890,7 +890,7 @@ void Set::set(int keyword)
     // enforce quat rotation vector in z dir for 2d systems
 
     else if (keyword == QUAT) {
-      double *quat;
+      double *quat = NULL;
       if (avec_ellipsoid && atom->ellipsoid[i] >= 0)
         quat = avec_ellipsoid->bonus[atom->ellipsoid[i]].quat;
       else if (avec_tri && atom->tri[i] >= 0)
diff --git a/src/variable.cpp b/src/variable.cpp
index 1595456f33..af5f647b74 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -182,7 +182,7 @@ void Variable::set(int narg, char **arg)
     if (find(arg[0]) >= 0) return;
     if (nvar == maxvar) grow();
     style[nvar] = LOOP;
-    int nfirst,nlast;
+    int nfirst = 0,nlast = 0;
     if (narg == 3 || (narg == 4 && strcmp(arg[3],"pad") == 0)) {
       nfirst = 1;
       nlast = force->inumeric(FLERR,arg[2]);
@@ -3983,7 +3983,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree,
       strcmp(word,"max") == 0 || strcmp(word,"ave") == 0 ||
       strcmp(word,"trap") == 0 || strcmp(word,"slope") == 0) {
 
-    int method;
+    int method = 0;
     if (strcmp(word,"sum") == 0) method = SUM;
     else if (strcmp(word,"min") == 0) method = XMIN;
     else if (strcmp(word,"max") == 0) method = XMAX;
diff --git a/src/velocity.cpp b/src/velocity.cpp
index 3a0b95fb4d..6d6027cc3c 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -641,7 +641,7 @@ void Velocity::ramp(int /*narg*/, char **arg)
 
   // parse args
 
-  int v_dim;
+  int v_dim = 0;
   if (strcmp(arg[0],"vx") == 0) v_dim = 0;
   else if (strcmp(arg[0],"vy") == 0) v_dim = 1;
   else if (strcmp(arg[0],"vz") == 0) v_dim = 2;
@@ -662,7 +662,7 @@ void Velocity::ramp(int /*narg*/, char **arg)
     v_hi = zscale*force->numeric(FLERR,arg[2]);
   }
 
-  int coord_dim;
+  int coord_dim = 0;
   if (strcmp(arg[3],"x") == 0) coord_dim = 0;
   else if (strcmp(arg[3],"y") == 0) coord_dim = 1;
   else if (strcmp(arg[3],"z") == 0) coord_dim = 2;
diff --git a/src/write_dump.cpp b/src/write_dump.cpp
index bb79c654b4..6c7375012e 100644
--- a/src/write_dump.cpp
+++ b/src/write_dump.cpp
@@ -45,7 +45,7 @@ void WriteDump::command(int narg, char **arg)
   // create the Dump instance
   // create dump command line with extra required args
 
-  Dump *dump;
+  Dump *dump = NULL;
 
   char **dumpargs = new char*[modindex+2];
   dumpargs[0] = (char *) "WRITE_DUMP"; // dump id

From 6e225d90fc2926170176821e5ef1b8144bd38e3f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Nov 2018 16:48:38 -0500
Subject: [PATCH 131/273] fix some minor bugs write data file writing and
 remove dead code and silence compiler warnings

---
 src/USER-COLVARS/group_ndx.cpp                 | 4 ++--
 src/USER-DPD/fix_rx.cpp                        | 6 ++++--
 src/USER-MISC/compute_stress_mop_profile.cpp   | 3 +--
 src/USER-MOFFF/angle_class2_p6.cpp             | 2 +-
 src/USER-MOFFF/angle_cosine_buck6d.cpp         | 2 +-
 src/USER-MOFFF/improper_inversion_harmonic.cpp | 5 +++--
 src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp  | 2 +-
 src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp | 2 +-
 8 files changed, 14 insertions(+), 12 deletions(-)

diff --git a/src/USER-COLVARS/group_ndx.cpp b/src/USER-COLVARS/group_ndx.cpp
index 450c250ffa..858336c9d5 100644
--- a/src/USER-COLVARS/group_ndx.cpp
+++ b/src/USER-COLVARS/group_ndx.cpp
@@ -50,7 +50,7 @@ static int cmptagint(const void *p1, const void *p2)
 static void write_group(FILE *fp, int gid, Atom *atom, Group *group, int me,
                         int np, MPI_Comm world, FILE *screen, FILE *logfile)
 {
-  char fmt[8];
+  char fmt[16];
   tagint *sendlist, *recvlist;
   bigint num = group->count(gid);
   int lnum, cols;
@@ -73,7 +73,7 @@ static void write_group(FILE *fp, int gid, Atom *atom, Group *group, int me,
       ++i;
       j /= 10;
     }
-    sprintf(fmt,"%%%dd ", i);
+    snprintf(fmt,16,"%%%dd ", i);
     cols = 80 / (i+1);
   }
 
diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp
index 97668471c8..cb8349786f 100644
--- a/src/USER-DPD/fix_rx.cpp
+++ b/src/USER-DPD/fix_rx.cpp
@@ -758,8 +758,10 @@ void FixRX::pre_force(int /*vflag*/)
     memory->create( diagnosticCounterPerODE[FuncSum], nlocal, "FixRX::diagnosticCounterPerODE");
   }
 
-  //#pragma omp parallel \
-  //   reduction(+: nSteps, nIters, nFuncs, nFails )
+#if 0
+  #pragma omp parallel \
+     reduction(+: nSteps, nIters, nFuncs, nFails )
+#endif
   {
     double *rwork = new double[8*nspecies];
 
diff --git a/src/USER-MISC/compute_stress_mop_profile.cpp b/src/USER-MISC/compute_stress_mop_profile.cpp
index 9189318381..76bf487630 100644
--- a/src/USER-MISC/compute_stress_mop_profile.cpp
+++ b/src/USER-MISC/compute_stress_mop_profile.cpp
@@ -451,10 +451,9 @@ void ComputeStressMopProfile::setup_bins()
   int i,n;
   double lo = 0.0, hi = 0.0;
 
-  double *boxlo,*boxhi,*prd;
+  double *boxlo,*boxhi;
   boxlo = domain->boxlo;
   boxhi = domain->boxhi;
-  prd = domain->prd;
 
   if (originflag == LOWER) origin = boxlo[dir];
   else if (originflag == UPPER) origin = boxhi[dir];
diff --git a/src/USER-MOFFF/angle_class2_p6.cpp b/src/USER-MOFFF/angle_class2_p6.cpp
index c821c9d883..d2a6e21e6b 100644
--- a/src/USER-MOFFF/angle_class2_p6.cpp
+++ b/src/USER-MOFFF/angle_class2_p6.cpp
@@ -429,7 +429,7 @@ void AngleClass2P6::read_restart(FILE *fp)
 void AngleClass2P6::write_data(FILE *fp)
 {
   for (int i = 1; i <= atom->nangletypes; i++)
-    fprintf(fp,"%d %g %g %g %g\n",
+    fprintf(fp,"%d %g %g %g %g %g %g\n",
             i,theta0[i]/MY_PI*180.0,k2[i],k3[i],k4[i],k5[i],k6[i]);
 
   fprintf(fp,"\nBondBond Coeffs\n\n");
diff --git a/src/USER-MOFFF/angle_cosine_buck6d.cpp b/src/USER-MOFFF/angle_cosine_buck6d.cpp
index 3f87aeb757..f358097802 100644
--- a/src/USER-MOFFF/angle_cosine_buck6d.cpp
+++ b/src/USER-MOFFF/angle_cosine_buck6d.cpp
@@ -353,7 +353,7 @@ void AngleCosineBuck6d::read_restart(FILE *fp)
 void AngleCosineBuck6d::write_data(FILE *fp)
 {
   for (int i = 1; i <= atom->nangletypes; i++) {
-    fprintf(fp,"%d %g %d %d\n",i,k[i],multiplicity[i],th0[i]);
+    fprintf(fp,"%d %g %d %g\n",i,k[i],multiplicity[i],th0[i]);
   }
 }
 
diff --git a/src/USER-MOFFF/improper_inversion_harmonic.cpp b/src/USER-MOFFF/improper_inversion_harmonic.cpp
index 9608d58054..8404984b53 100644
--- a/src/USER-MOFFF/improper_inversion_harmonic.cpp
+++ b/src/USER-MOFFF/improper_inversion_harmonic.cpp
@@ -241,8 +241,8 @@ void ImproperInversionHarmonic::invang(const int &i1,const int &i2,
     f[i4][2] += f4[2];
   }
 
-  double rb3x, rb3y, rb3z;
-  if (evflag)
+  if (evflag) {
+    double rb3x, rb3y, rb3z;
 
     rb3x = vb1x - vb2x;
     rb3y = vb1y - vb2y;
@@ -252,6 +252,7 @@ void ImproperInversionHarmonic::invang(const int &i1,const int &i2,
              vb3x,vb3y,vb3z,
              vb2x,vb2y,vb2z,
              rb3x,rb3y,rb3z);
+  }
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
index f434d03858..46af95470c 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
@@ -83,7 +83,7 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
   double r,rsq,r2inv,r6inv,r14inv,rexp,forcecoul,forcebuck6d,factor_coul,factor_lj;
   double term1,term2,term3,term4,term5;
   double rcu,rqu,sme,smf,ebuck6d;
-  double prefactor,erfcc,erfcd,t,arg;
+  double prefactor,erfcc,erfcd,arg;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
index 9902896d18..3c54d64770 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
@@ -85,7 +85,7 @@ void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
   double grij,expm2,erf;
   double term1,term2,term3,term4,term5;
   double rcu,rqu,sme,smf,ebuck6d,ealpha;
-  double prefactor,erfa,expa,t,arg,falpha;
+  double prefactor,erfa,expa,arg,falpha;
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   evdwl = ecoul = 0.0;

From 2c979e878f51c5bf6f31b28a9badde8042de2b0f Mon Sep 17 00:00:00 2001
From: Pierre de Buyl <pdebuyl@pdebuyl.be>
Date: Fri, 16 Nov 2018 15:18:58 +0100
Subject: [PATCH 132/273] fix cmake build for USER-H5MD

The hdf5 includes were needed as well for building the dump.
---
 cmake/CMakeLists.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 253cee6465..90f6e9c8bd 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -819,7 +819,7 @@ foreach(SIMPLE_LIB REAX MEAM POEMS USER-ATC USER-AWPMD USER-COLVARS USER-H5MD
     if(PKG_LIB STREQUAL awpmd)
       target_include_directories(awpmd PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/awpmd/systems/interact ${LAMMPS_LIB_SOURCE_DIR}/awpmd/ivutils/include)
     elseif(PKG_LIB STREQUAL h5md)
-      target_include_directories(h5md PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/h5md/include)
+      target_include_directories(h5md PUBLIC ${LAMMPS_LIB_SOURCE_DIR}/h5md/include ${HDF5_INCLUDE_DIRS})
     elseif(PKG_LIB STREQUAL colvars)
       target_compile_options(colvars PRIVATE -DLEPTON)
       target_include_directories(colvars PRIVATE ${LAMMPS_LIB_SOURCE_DIR}/colvars/lepton/include)
@@ -842,6 +842,7 @@ if(PKG_USER-H5MD)
   find_package(HDF5 REQUIRED)
   target_link_libraries(h5md ${HDF5_LIBRARIES})
   target_include_directories(h5md PRIVATE ${HDF5_INCLUDE_DIRS})
+  include_directories(${HDF5_INCLUDE_DIRS})
 endif()
 
 

From 11de8dafe3e68e97671673840e79f34c8cfbf0af Mon Sep 17 00:00:00 2001
From: Giacomo Fiorin <giacomo.fiorin@gmail.com>
Date: Fri, 16 Nov 2018 09:51:17 -0500
Subject: [PATCH 133/273] Update Colvars library to version 2018-11-16

Fixes several issues with running averages and time correlation function
computations.  Details are in:

https://github.com/Colvars/colvars/issues/143
https://github.com/Colvars/colvars/issues/193
https://github.com/Colvars/colvars/pull/194
---
 doc/src/PDF/colvars-refman-lammps.pdf | Bin 621342 -> 621677 bytes
 lib/colvars/colvar.cpp                | 239 +++++++++++++++-----------
 lib/colvars/colvar.h                  |  18 +-
 lib/colvars/colvarbias.cpp            |   6 +
 lib/colvars/colvarbias.h              |   3 +
 lib/colvars/colvardeps.cpp            |   3 +
 lib/colvars/colvarmodule.cpp          |  43 ++++-
 lib/colvars/colvarmodule.h            |   6 +-
 lib/colvars/colvars_version.h         |   2 +-
 9 files changed, 206 insertions(+), 114 deletions(-)

diff --git a/doc/src/PDF/colvars-refman-lammps.pdf b/doc/src/PDF/colvars-refman-lammps.pdf
index 4afeedccc87bb748bdc3fcb6eceb56d4004331c6..07d82544759e2c3fd3a98b45cff0afc3066f15b1 100644
GIT binary patch
delta 65076
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diff --git a/lib/colvars/colvar.cpp b/lib/colvars/colvar.cpp
index 22befdfd43..8b28eaa0df 100644
--- a/lib/colvars/colvar.cpp
+++ b/lib/colvars/colvar.cpp
@@ -21,10 +21,14 @@
 
 
 colvar::colvar()
-  : prev_timestep(-1)
 {
-  // Initialize static array once and for all
   runave_os = NULL;
+
+  prev_timestep = -1;
+  after_restart = false;
+  kinetic_energy = 0.0;
+  potential_energy = 0.0;
+
   init_cv_requires();
 }
 
@@ -38,6 +42,7 @@ namespace {
   }
 }
 
+
 int colvar::init(std::string const &conf)
 {
   cvm::log("Initializing a new collective variable.\n");
@@ -48,7 +53,7 @@ int colvar::init(std::string const &conf)
   colvarmodule *cv = cvm::main();
 
   get_keyval(conf, "name", this->name,
-             (std::string("colvar")+cvm::to_str(cv->variables()->size()+1)));
+             (std::string("colvar")+cvm::to_str(cv->variables()->size())));
 
   if ((cvm::colvar_by_name(this->name) != NULL) &&
       (cvm::colvar_by_name(this->name) != this)) {
@@ -63,9 +68,6 @@ int colvar::init(std::string const &conf)
 
   this->description = "colvar " + this->name;
 
-  kinetic_energy = 0.0;
-  potential_energy = 0.0;
-
   error_code |= init_components(conf);
   if (error_code != COLVARS_OK) {
     return cvm::get_error();
@@ -260,7 +262,6 @@ int colvar::init(std::string const &conf)
   f_old.reset();
 
   x_restart.type(value());
-  after_restart = false;
 
   reset_bias_force();
 
@@ -282,8 +283,7 @@ int colvar::init(std::string const &conf)
   // Now that the children are defined we can solve dependencies
   enable(f_cv_active);
 
-  if (cvm::b_analysis)
-    parse_analysis(conf);
+  error_code |= parse_analysis(conf);
 
   if (cvm::debug())
     cvm::log("Done initializing collective variable \""+this->name+"\".\n");
@@ -881,19 +881,7 @@ int colvar::parse_analysis(std::string const &conf)
       cvm::error("Error: runAveStride must be commensurate with the restart frequency.\n", INPUT_ERROR);
     }
 
-    get_keyval(conf, "runAveOutputFile", runave_outfile,
-                std::string(cvm::output_prefix()+"."+
-                             this->name+".runave.traj"));
-
-    size_t const this_cv_width = x.output_width(cvm::cv_width);
-    cvm::proxy->backup_file(runave_outfile);
-    runave_os = cvm::proxy->output_stream(runave_outfile);
-    *runave_os << "# " << cvm::wrap_string("step", cvm::it_width-2)
-               << "  "
-               << cvm::wrap_string("running average", this_cv_width)
-               << " "
-               << cvm::wrap_string("running stddev", this_cv_width)
-               << "\n";
+    get_keyval(conf, "runAveOutputFile", runave_outfile, runave_outfile);
   }
 
   acf_length = 0;
@@ -902,7 +890,6 @@ int colvar::parse_analysis(std::string const &conf)
 
     enable(f_cv_corrfunc);
 
-    std::string acf_colvar_name;
     get_keyval(conf, "corrFuncWithColvar", acf_colvar_name, this->name);
     if (acf_colvar_name == this->name) {
       cvm::log("Calculating auto-correlation function.\n");
@@ -918,8 +905,12 @@ int colvar::parse_analysis(std::string const &conf)
     } else if (acf_type_str == to_lower_cppstr(std::string("velocity"))) {
       acf_type = acf_vel;
       enable(f_cv_fdiff_velocity);
-      if (acf_colvar_name.size())
-        (cvm::colvar_by_name(acf_colvar_name))->enable(f_cv_fdiff_velocity);
+      colvar *cv2 = cvm::colvar_by_name(acf_colvar_name);
+      if (cv2 == NULL) {
+        return cvm::error("Error: collective variable \""+acf_colvar_name+
+                          "\" is not defined at this time.\n", INPUT_ERROR);
+      }
+      cv2->enable(f_cv_fdiff_velocity);
     } else if (acf_type_str == to_lower_cppstr(std::string("coordinate_p2"))) {
       acf_type = acf_p2coor;
     } else {
@@ -937,9 +928,7 @@ int colvar::parse_analysis(std::string const &conf)
     }
 
     get_keyval(conf, "corrFuncNormalize", acf_normalize, true);
-    get_keyval(conf, "corrFuncOutputFile", acf_outfile,
-                std::string(cvm::output_prefix()+"."+this->name+
-                             ".corrfunc.dat"));
+    get_keyval(conf, "corrFuncOutputFile", acf_outfile, acf_outfile);
   }
   return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
 }
@@ -1389,9 +1378,9 @@ int colvar::calc_colvar_properties()
 {
   if (is_enabled(f_cv_fdiff_velocity)) {
     // calculate the velocity by finite differences
-    if (cvm::step_relative() == 0)
+    if (cvm::step_relative() == 0) {
       x_old = x;
-    else {
+    } else {
       v_fdiff = fdiff_velocity(x_old, x);
       v_reported = v_fdiff;
     }
@@ -1486,7 +1475,6 @@ cvm::real colvar::update_forces_energy()
         return 0.;
       }
     }
-    prev_timestep = cvm::step_relative();
 
     // Integrate with slow timestep (if time_step_factor != 1)
     cvm::real dt = cvm::dt() * cvm::real(time_step_factor);
@@ -1547,8 +1535,18 @@ cvm::real colvar::update_forces_energy()
   // bypass the extended Lagrangian mass)
   f += fb_actual;
 
+  if (cvm::debug())
+    cvm::log("Done updating colvar \""+this->name+"\".\n");
+  return (potential_energy + kinetic_energy);
+}
+
+
+int colvar::end_of_step()
+{
+  if (cvm::debug())
+    cvm::log("End of step for colvar \""+this->name+"\".\n");
+
   if (is_enabled(f_cv_fdiff_velocity)) {
-    // set it for the next step
     x_old = x;
   }
 
@@ -1556,9 +1554,9 @@ cvm::real colvar::update_forces_energy()
     f_old = f;
   }
 
-  if (cvm::debug())
-    cvm::log("Done updating colvar \""+this->name+"\".\n");
-  return (potential_energy + kinetic_energy);
+  prev_timestep = cvm::step_relative();
+
+  return COLVARS_OK;
 }
 
 
@@ -1966,6 +1964,10 @@ std::ostream & colvar::write_restart(std::ostream &os) {
 
   os << "}\n\n";
 
+  if (runave_os) {
+    cvm::main()->proxy->flush_output_stream(runave_os);
+  }
+
   return os;
 }
 
@@ -2075,55 +2077,61 @@ std::ostream & colvar::write_traj(std::ostream &os)
   return os;
 }
 
+
 int colvar::write_output_files()
 {
-  if (cvm::b_analysis) {
+  int error_code = COLVARS_OK;
 
+  if (is_enabled(f_cv_corrfunc)) {
     if (acf.size()) {
-      cvm::log("Writing acf to file \""+acf_outfile+"\".\n");
-
+      if (acf_outfile.size() == 0) {
+        acf_outfile = std::string(cvm::output_prefix()+"."+this->name+
+                                  ".corrfunc.dat");
+      }
+      cvm::log("Writing correlation function to file \""+acf_outfile+"\".\n");
       cvm::backup_file(acf_outfile.c_str());
       std::ostream *acf_os = cvm::proxy->output_stream(acf_outfile);
       if (!acf_os) return cvm::get_error();
-      write_acf(*acf_os);
+      error_code |= write_acf(*acf_os);
       cvm::proxy->close_output_stream(acf_outfile);
     }
-
-    if (runave_os) {
-      cvm::proxy->close_output_stream(runave_outfile);
-      runave_os = NULL;
-    }
   }
-  return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
+
+  return error_code;
 }
 
 
 
 // ******************** ANALYSIS FUNCTIONS ********************
 
-void colvar::analyze()
+int colvar::analyze()
 {
+  int error_code = COLVARS_OK;
+
   if (is_enabled(f_cv_runave)) {
-    calc_runave();
+    error_code |= calc_runave();
   }
 
   if (is_enabled(f_cv_corrfunc)) {
-    calc_acf();
+    error_code |= calc_acf();
   }
+
+  return error_code;
 }
 
 
 inline void history_add_value(size_t const           &history_length,
-                               std::list<colvarvalue> &history,
-                               colvarvalue const      &new_value)
+                              std::list<colvarvalue> &history,
+                              colvarvalue const      &new_value)
 {
   history.push_front(new_value);
   if (history.size() > history_length)
     history.pop_back();
 }
 
+
 inline void history_incr(std::list< std::list<colvarvalue> >           &history,
-                          std::list< std::list<colvarvalue> >::iterator &history_p)
+                         std::list< std::list<colvarvalue> >::iterator &history_p)
 {
   if ((++history_p) == history.end())
     history_p = history.begin();
@@ -2133,18 +2141,21 @@ inline void history_incr(std::list< std::list<colvarvalue> >           &history,
 int colvar::calc_acf()
 {
   // using here an acf_stride-long list of vectors for either
-  // coordinates(acf_x_history) or velocities (acf_v_history); each vector can
+  // coordinates (acf_x_history) or velocities (acf_v_history); each vector can
   // contain up to acf_length values, which are contiguous in memory
   // representation but separated by acf_stride in the time series;
   // the pointer to each vector is changed at every step
 
+  colvar const *cfcv = cvm::colvar_by_name(acf_colvar_name);
+  if (cfcv == NULL) {
+    return cvm::error("Error: collective variable \""+acf_colvar_name+
+                      "\" is not defined at this time.\n", INPUT_ERROR);
+  }
+
   if (acf_x_history.empty() && acf_v_history.empty()) {
 
     // first-step operations
 
-    colvar *cfcv = (acf_colvar_name.size() ?
-                    cvm::colvar_by_name(acf_colvar_name) :
-                    this);
     if (colvarvalue::check_types(cfcv->value(), value())) {
       cvm::error("Error: correlation function between \""+cfcv->name+
                  "\" and \""+this->name+"\" cannot be calculated, "
@@ -2153,7 +2164,8 @@ int colvar::calc_acf()
     }
     acf_nframes = 0;
 
-    cvm::log("Colvar \""+this->name+"\": initializing ACF calculation.\n");
+    cvm::log("Colvar \""+this->name+"\": initializing correlation function "
+             "calculation.\n");
 
     if (acf.size() < acf_length+1)
       acf.resize(acf_length+1, 0.0);
@@ -2182,41 +2194,31 @@ int colvar::calc_acf()
       break;
     }
 
-  } else {
-
-    colvar *cfcv = (acf_colvar_name.size() ?
-                    cvm::colvar_by_name(acf_colvar_name) :
-                    this);
+  } else if (cvm::step_relative() > prev_timestep) {
 
     switch (acf_type) {
 
     case acf_vel:
 
-      if (is_enabled(f_cv_fdiff_velocity)) {
-        // calc() should do this already, but this only happens in a
-        // simulation; better do it again in case a trajectory is
-        // being read
-        v_reported = v_fdiff = fdiff_velocity(x_old, cfcv->value());
-      }
-
       calc_vel_acf((*acf_v_history_p), cfcv->velocity());
-      // store this value in the history
-      history_add_value(acf_length+acf_offset, *acf_v_history_p, cfcv->velocity());
-      // if stride is larger than one, cycle among different histories
+      history_add_value(acf_length+acf_offset, *acf_v_history_p,
+                        cfcv->velocity());
       history_incr(acf_v_history, acf_v_history_p);
       break;
 
     case acf_coor:
 
       calc_coor_acf((*acf_x_history_p), cfcv->value());
-      history_add_value(acf_length+acf_offset, *acf_x_history_p, cfcv->value());
+      history_add_value(acf_length+acf_offset, *acf_x_history_p,
+                        cfcv->value());
       history_incr(acf_x_history, acf_x_history_p);
       break;
 
     case acf_p2coor:
 
       calc_p2coor_acf((*acf_x_history_p), cfcv->value());
-      history_add_value(acf_length+acf_offset, *acf_x_history_p, cfcv->value());
+      history_add_value(acf_length+acf_offset, *acf_x_history_p,
+                        cfcv->value());
       history_incr(acf_x_history, acf_x_history_p);
       break;
 
@@ -2225,18 +2227,14 @@ int colvar::calc_acf()
     }
   }
 
-  if (is_enabled(f_cv_fdiff_velocity)) {
-    // set it for the next step
-    x_old = x;
-  }
-  return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
+  return COLVARS_OK;
 }
 
 
-int colvar::calc_vel_acf(std::list<colvarvalue> &v_list,
-                           colvarvalue const      &v)
+void colvar::calc_vel_acf(std::list<colvarvalue> &v_list,
+                          colvarvalue const      &v)
 {
-  // loop over stored velocities and add to the ACF, but only the
+  // loop over stored velocities and add to the ACF, but only if the
   // length is sufficient to hold an entire row of ACF values
   if (v_list.size() >= acf_length+acf_offset) {
     std::list<colvarvalue>::iterator  vs_i = v_list.begin();
@@ -2255,7 +2253,6 @@ int colvar::calc_vel_acf(std::list<colvarvalue> &v_list,
 
     acf_nframes++;
   }
-  return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
 }
 
 
@@ -2280,7 +2277,7 @@ void colvar::calc_coor_acf(std::list<colvarvalue> &x_list,
 
 
 void colvar::calc_p2coor_acf(std::list<colvarvalue> &x_list,
-                              colvarvalue const      &x)
+                             colvarvalue const      &x)
 {
   // same as above but with second order Legendre polynomial instead
   // of just the scalar product
@@ -2301,20 +2298,46 @@ void colvar::calc_p2coor_acf(std::list<colvarvalue> &x_list,
 }
 
 
-void colvar::write_acf(std::ostream &os)
+int colvar::write_acf(std::ostream &os)
 {
-  if (!acf_nframes)
-    cvm::log("Warning: ACF was not calculated (insufficient frames).\n");
+  if (!acf_nframes) {
+    return COLVARS_OK;
+  }
+
   os.setf(std::ios::scientific, std::ios::floatfield);
-  os << "# Autocorrelation function for collective variable \""
-     << this->name << "\"\n";
-  // one frame is used for normalization, the statistical sample is
-  // hence decreased
-  os << "# nframes = " << (acf_normalize ?
-                           acf_nframes - 1 :
-                           acf_nframes) << "\n";
+  os << "# ";
+  switch (acf_type) {
+  case acf_vel:
+    os << "Velocity";
+    break;
+  case acf_coor:
+    os << "Coordinate";
+    break;
+  case acf_p2coor:
+    os << "Coordinate (2nd Legendre poly)";
+    break;
+  }
+
+  if (acf_colvar_name == name) {
+    os << " autocorrelation function for variable \""
+       << this->name << "\"\n";
+  } else {
+    os << " correlation function between variables \"" //
+       << this->name << "\" and \"" << acf_colvar_name << "\"\n";
+  }
+
+  os << "# Number of samples = ";
+  if (acf_normalize) {
+    os << (acf_nframes-1) << " (one DoF is used for normalization)\n";
+  } else {
+    os << acf_nframes << "\n";
+  }
+
+  os << "# " << cvm::wrap_string("step", cvm::it_width-2) << " "
+     << cvm::wrap_string("corrfunc(step)", cvm::cv_width) << "\n";
 
   cvm::real const acf_norm = acf.front() / cvm::real(acf_nframes);
+
   std::vector<cvm::real>::iterator acf_i;
   size_t it = acf_offset;
   for (acf_i = acf.begin(); acf_i != acf.end(); ++acf_i) {
@@ -2325,11 +2348,15 @@ void colvar::write_acf(std::ostream &os)
             (*acf_i)/(acf_norm * cvm::real(acf_nframes)) :
             (*acf_i)/(cvm::real(acf_nframes)) ) << "\n";
   }
+
+  return os.good() ? COLVARS_OK : FILE_ERROR;
 }
 
 
-void colvar::calc_runave()
+int colvar::calc_runave()
 {
+  int error_code = COLVARS_OK;
+
   if (x_history.empty()) {
 
     runave.type(value().type());
@@ -2348,10 +2375,29 @@ void colvar::calc_runave()
 
   } else {
 
-    if ( (cvm::step_relative() % runave_stride) == 0) {
+    if ( (cvm::step_relative() % runave_stride) == 0 &&
+         (cvm::step_relative() > prev_timestep) ) {
 
       if ((*x_history_p).size() >= runave_length-1) {
 
+        if (runave_os == NULL) {
+          if (runave_outfile.size() == 0) {
+            runave_outfile = std::string(cvm::output_prefix()+"."+
+                                         this->name+".runave.traj");
+          }
+
+          size_t const this_cv_width = x.output_width(cvm::cv_width);
+          cvm::proxy->backup_file(runave_outfile);
+          runave_os = cvm::proxy->output_stream(runave_outfile);
+          runave_os->setf(std::ios::scientific, std::ios::floatfield);
+          *runave_os << "# " << cvm::wrap_string("step", cvm::it_width-2)
+                     << "   "
+                     << cvm::wrap_string("running average", this_cv_width)
+                     << " "
+                     << cvm::wrap_string("running stddev", this_cv_width)
+                     << "\n";
+        }
+
         runave = x;
         std::list<colvarvalue>::iterator xs_i;
         for (xs_i = (*x_history_p).begin();
@@ -2370,7 +2416,7 @@ void colvar::calc_runave()
         runave_variance *= 1.0 / cvm::real(runave_length-1);
 
         *runave_os << std::setw(cvm::it_width) << cvm::step_relative()
-                   << "  "
+                   << "   "
                    << std::setprecision(cvm::cv_prec) << std::setw(cvm::cv_width)
                    << runave << " "
                    << std::setprecision(cvm::cv_prec) << std::setw(cvm::cv_width)
@@ -2381,6 +2427,7 @@ void colvar::calc_runave()
     }
   }
 
+  return error_code;
 }
 
 // Static members
diff --git a/lib/colvars/colvar.h b/lib/colvars/colvar.h
index 989d55124f..a67749d577 100644
--- a/lib/colvars/colvar.h
+++ b/lib/colvars/colvar.h
@@ -291,6 +291,9 @@ public:
   /// \brief Calculate the colvar's value and related quantities
   int calc();
 
+  /// Carry out operations needed before next step is run
+  int end_of_step();
+
   /// \brief Calculate a subset of the colvar components (CVCs) currently active
   /// (default: all active CVCs)
   /// Note: both arguments refer to the sect of *active* CVCs, not all CVCs
@@ -410,8 +413,9 @@ public:
 
   /// Read the analysis tasks
   int parse_analysis(std::string const &conf);
+
   /// Perform analysis tasks
-  void analyze();
+  int analyze();
 
 
   /// Read the value from a collective variable trajectory file
@@ -489,23 +493,23 @@ protected:
   acf_type_e             acf_type;
 
   /// \brief Velocity ACF, scalar product between v(0) and v(t)
-  int calc_vel_acf(std::list<colvarvalue> &v_history,
-                     colvarvalue const      &v);
+  void calc_vel_acf(std::list<colvarvalue> &v_history,
+                    colvarvalue const      &v);
 
   /// \brief Coordinate ACF, scalar product between x(0) and x(t)
   /// (does not work with scalar numbers)
   void calc_coor_acf(std::list<colvarvalue> &x_history,
-                      colvarvalue const      &x);
+                     colvarvalue const      &x);
 
   /// \brief Coordinate ACF, second order Legendre polynomial between
   /// x(0) and x(t) (does not work with scalar numbers)
   void calc_p2coor_acf(std::list<colvarvalue> &x_history,
-                        colvarvalue const      &x);
+                       colvarvalue const      &x);
 
   /// Calculate the auto-correlation function (ACF)
   int calc_acf();
   /// Save the ACF to a file
-  void write_acf(std::ostream &os);
+  int write_acf(std::ostream &os);
 
   /// Length of running average series
   size_t         runave_length;
@@ -521,7 +525,7 @@ protected:
   cvm::real      runave_variance;
 
   /// Calculate the running average and its standard deviation
-  void calc_runave();
+  int calc_runave();
 
   /// If extended Lagrangian active: colvar energies (kinetic and harmonic potential)
   cvm::real kinetic_energy;
diff --git a/lib/colvars/colvarbias.cpp b/lib/colvars/colvarbias.cpp
index 29620fbee8..9363fcdcb6 100644
--- a/lib/colvars/colvarbias.cpp
+++ b/lib/colvars/colvarbias.cpp
@@ -236,6 +236,12 @@ void colvarbias::communicate_forces()
 }
 
 
+int colvarbias::end_of_step()
+{
+  return COLVARS_OK;
+}
+
+
 int colvarbias::change_configuration(std::string const &conf)
 {
   cvm::error("Error: change_configuration() not implemented.\n",
diff --git a/lib/colvars/colvarbias.h b/lib/colvars/colvarbias.h
index 083b9d7303..391826e79e 100644
--- a/lib/colvars/colvarbias.h
+++ b/lib/colvars/colvarbias.h
@@ -66,6 +66,9 @@ public:
   /// Send forces to the collective variables
   virtual void communicate_forces();
 
+  /// Carry out operations needed before next step is run
+  virtual int end_of_step();
+
   /// Load new configuration - force constant and/or centers only
   virtual int change_configuration(std::string const &conf);
 
diff --git a/lib/colvars/colvardeps.cpp b/lib/colvars/colvardeps.cpp
index 80bd6670d3..d20ee6e55c 100644
--- a/lib/colvars/colvardeps.cpp
+++ b/lib/colvars/colvardeps.cpp
@@ -567,6 +567,9 @@ void colvardeps::init_cv_requires() {
     // Most features are available, so we set them so
     // and list exceptions below
    }
+
+  feature_states[f_cv_fdiff_velocity].available =
+    cvm::main()->proxy->simulation_running();
 }
 
 
diff --git a/lib/colvars/colvarmodule.cpp b/lib/colvars/colvarmodule.cpp
index 87b08b1ef8..d88a97a441 100644
--- a/lib/colvars/colvarmodule.cpp
+++ b/lib/colvars/colvarmodule.cpp
@@ -62,8 +62,6 @@ colvarmodule::colvarmodule(colvarproxy *proxy_in)
   use_scripted_forces = false;
   scripting_after_biases = false;
 
-  b_analysis = false;
-
   colvarmodule::debug_gradients_step_size = 1.0e-07;
 
   colvarmodule::rotation::monitor_crossings = false;
@@ -274,7 +272,12 @@ int colvarmodule::parse_global_params(std::string const &conf)
     }
   }
 
-  parse->get_keyval(conf, "analysis", b_analysis, b_analysis);
+  bool b_analysis = true;
+  if (parse->get_keyval(conf, "analysis", b_analysis, true,
+                        colvarparse::parse_silent)) {
+    cvm::log("Warning: keyword \"analysis\" is deprecated: it is now set "
+             "to true; individual analyses are performed only if requested.");
+  }
 
   parse->get_keyval(conf, "debugGradientsStepSize", debug_gradients_step_size,
                     debug_gradients_step_size,
@@ -715,9 +718,7 @@ int colvarmodule::calc()
   error_code |= calc_biases();
   error_code |= update_colvar_forces();
 
-  if (cvm::b_analysis) {
-    error_code |= analyze();
-  }
+  error_code |= analyze();
 
   // write trajectory files, if needed
   if (cv_traj_freq && cv_traj_name.size()) {
@@ -736,6 +737,8 @@ int colvarmodule::calc()
     write_output_files();
   }
 
+  error_code |= end_of_step();
+
   return error_code;
 }
 
@@ -1056,6 +1059,33 @@ int colvarmodule::analyze()
 }
 
 
+int colvarmodule::end_of_step()
+{
+  if (cvm::debug()) {
+    cvm::log("colvarmodule::end_of_step(), step = "+cvm::to_str(it)+".\n");
+  }
+
+  for (std::vector<colvar *>::iterator cvi = variables_active()->begin();
+       cvi != variables_active()->end();
+       cvi++) {
+    cvm::increase_depth();
+    (*cvi)->end_of_step();
+    cvm::decrease_depth();
+  }
+
+  // perform bias-specific analysis
+  for (std::vector<colvarbias *>::iterator bi = biases.begin();
+       bi != biases.end();
+       bi++) {
+    cvm::increase_depth();
+    (*bi)->end_of_step();
+    cvm::decrease_depth();
+  }
+
+  return (cvm::get_error() ? COLVARS_ERROR : COLVARS_OK);
+}
+
+
 int colvarmodule::setup()
 {
   if (this->size() == 0) return cvm::get_error();
@@ -1895,7 +1925,6 @@ long      colvarmodule::it = 0;
 long      colvarmodule::it_restart = 0;
 size_t    colvarmodule::restart_out_freq = 0;
 size_t    colvarmodule::cv_traj_freq = 0;
-bool      colvarmodule::b_analysis = false;
 bool      colvarmodule::use_scripted_forces = false;
 bool      colvarmodule::scripting_after_biases = true;
 
diff --git a/lib/colvars/colvarmodule.h b/lib/colvars/colvarmodule.h
index 3d93798e0a..99b797627e 100644
--- a/lib/colvars/colvarmodule.h
+++ b/lib/colvars/colvarmodule.h
@@ -422,6 +422,9 @@ public:
   /// Perform analysis
   int analyze();
 
+  /// Carry out operations needed before next step is run
+  int end_of_step();
+
   /// \brief Read a collective variable trajectory (post-processing
   /// only, not called at runtime)
   int read_traj(char const *traj_filename,
@@ -546,9 +549,6 @@ public:
   /// Frequency for collective variables trajectory output
   static size_t cv_traj_freq;
 
-  /// \brief True if only analysis is performed and not a run
-  static bool   b_analysis;
-
   /// Frequency for saving output restarts
   static size_t restart_out_freq;
   /// Output restart file name
diff --git a/lib/colvars/colvars_version.h b/lib/colvars/colvars_version.h
index a37d264a20..bd84d077d7 100644
--- a/lib/colvars/colvars_version.h
+++ b/lib/colvars/colvars_version.h
@@ -1,5 +1,5 @@
 #ifndef COLVARS_VERSION
-#define COLVARS_VERSION "2018-10-16"
+#define COLVARS_VERSION "2018-11-16"
 // This file is part of the Collective Variables module (Colvars).
 // The original version of Colvars and its updates are located at:
 // https://github.com/colvars/colvars

From 5974741eea2b09ccfd469e95f0a2842a946dfda4 Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Fri, 16 Nov 2018 09:26:12 -0700
Subject: [PATCH 134/273] Tweak to github-development-workflow.md

---
 doc/github-development-workflow.md | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/doc/github-development-workflow.md b/doc/github-development-workflow.md
index 31fd3f23f0..a11ee28aab 100644
--- a/doc/github-development-workflow.md
+++ b/doc/github-development-workflow.md
@@ -1,7 +1,7 @@
 # Outline of the GitHub Development Workflow
 
 This purpose of this document is to provide a point of reference for the
-core LAMMPS developers and other LAMMPS contibutors to understand the
+core LAMMPS developers and other LAMMPS contributors to understand the
 choices the LAMMPS developers have agreed on. Git and GitHub provide the
 tools, but do not set policies, so it is up to the developers to come to
 an agreement as to how to define and interpret policies. This document
@@ -25,7 +25,10 @@ In the interest of consistency, ONLY ONE of the core LAMMPS developers
 should doing the merging itself.  This is currently
 [@akohlmey](https://github.com/akohlmey) (Axel Kohlmeyer).
 If this assignment needs to be changed, it shall be done right after a
-stable release.
+stable release.  If the currently assigned developer cannot merge outstanding pull 
+requests in a timely manner, or in other extenuating circumstances, 
+other core LAMMPS developers with merge rights can merge pull requests,
+when necessary. 
 
 ## Pull Requests
 
@@ -37,7 +40,7 @@ upon patch or stable releases with fast-forward merges based on the
 associated tags. Pull requests may also be submitted to (long-running)
 feature branches created by LAMMPS developers inside the LAMMPS project,
 if needed. Those are not subject to the merge and review restrictions
-discussed in this document, though, but get manages as needed on a
+discussed in this document, though, but get managed as needed on a
 case-by-case basis.
 
 ### Pull Request Assignments

From c5c26abdd3ca56cdbbb71e029a3f70bec8075f43 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Fri, 16 Nov 2018 09:26:37 -0700
Subject: [PATCH 135/273] change warning to just a note

---
 doc/src/hyper.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index 0ea4ac781b..a9b0748a17 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -94,8 +94,8 @@ hyper/local"_fix_hyper_local.html command specified as {fix-ID}.  At
 every dynamics timestep, the same fix selects one of more bonds to
 apply a bias potential to.
 
-IMPORTANT NOTE: The style of fix associated with the specified
-{fix-ID} determines whether you are running the global versus local
+NOTE: The style of fix associated with the specified {fix-ID}
+determines whether you are running the global versus local
 hyperdynamics algorithm.
 
 Dynamics (with the bias potential) is run continuously, stopping every

From fd4262805d2e3b7fd7c303845d3e93ab57bab4df Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 15:48:35 -0500
Subject: [PATCH 136/273] for enabling MPIIO we also need to set -DLMP_MPIIO

---
 cmake/CMakeLists.txt | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 253cee6465..230168500d 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -791,6 +791,13 @@ foreach(PKG ${DEFAULT_PACKAGES})
   endif()
 endforeach()
 
+# packages that need defines set
+foreach(PKG MPIIO)
+  if(PKG_${PKG})
+    add_definitions(-DLMP_${PKG})
+  endif()
+endforeach()
+
 # dedicated check for entire contents of accelerator packages
 foreach(PKG ${ACCEL_PACKAGES})
   set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG})

From a66384cfea3c10f7e7b57a69b6531ee9c18edaa9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 16:27:05 -0500
Subject: [PATCH 137/273] update github tutorial/howto for recent changes in
 the development workflow

---
 doc/src/Howto_github.txt | 44 ++++++++++++++++++++++++++++++++++++----
 1 file changed, 40 insertions(+), 4 deletions(-)

diff --git a/doc/src/Howto_github.txt b/doc/src/Howto_github.txt
index 720b3317f0..3c2b9ac8c5 100644
--- a/doc/src/Howto_github.txt
+++ b/doc/src/Howto_github.txt
@@ -254,20 +254,53 @@ them, or if a developer has requested that something needs to be changed
 before the feature can be accepted into the official LAMMPS version.
 After each push, the automated checks are run again.
 
+[Labels]
+
+LAMMPS developers may add labels to your pull request to assign it to
+categories (mostly for bookkeeping purposes), but a few of them are
+important: needs_work, work_in_progress, test-for-regression, and
+full-regression-test. The first two indicate, that your pull request
+is not considered to be complete. With "needs_work" the burden is on
+exclusively on you; while "work_in_progress" can also mean, that a
+LAMMPS developer may want to add changes. Please watch the comments
+to the pull requests. The two "test" labels are used to trigger
+extended tests before the code is merged. This is sometimes done by
+LAMMPS developers, if they suspect that there may be some subtle
+side effects from your changes. It is not done by default, because
+those tests are very time consuming.
+
+[Reviews]
+
+As of Summer 2018, a pull request needs at least 1 approving review
+from a LAMMPS developer with write access to the repository.
+In case your changes touch code that certain developers are associated
+with, they are auto-requested by the GitHub software.  Those associations
+are set in the file
+".github/CODEOWNERS"_https://github.com/lammps/lammps/blob/master/.github/CODEOWNERS
+Thus if you want to be automatically notified to review when anybody
+changes files or packages, that you have contributed to LAMMPS, you can
+add suitable patterns to that file, or a LAMMPS developer may add you.
+
+Otherwise, you can also manually request reviews from specific developers,
+or LAMMPS developers - in their assessment of your pull request - may
+determine who else should be reviewing your contribution and add that person.
+Through reviews, LAMMPS developers also may request specific changes from you.
+If those are not addressed, your pull requests cannot be merged.
+
 [Assignees]
 
-There is an assignee label for pull requests. If the request has not
+There is an assignee property for pull requests. If the request has not
 been reviewed by any developer yet, it is not assigned to anyone. After
 revision, a developer can choose to assign it to either a) you, b) a
-LAMMPS developer (including him/herself) or c) Steve Plimpton (sjplimp).
+LAMMPS developer (including him/herself) or c) Axel Kohlmeyer (akohlmey).
 
 Case a) happens if changes are required on your part :ulb,l
 Case b) means that at the moment, it is being tested and reviewed by a
 LAMMPS developer with the expectation that some changes would be required.
 After the review, the developer can choose to implement changes directly
 or suggest them to you. :l
-Case c) means that the pull request has been assigned to the lead
-developer Steve Plimpton and means it is considered ready for merging. :ule,l
+Case c) means that the pull request has been assigned to the developer
+overseeing the merging of pull requests into the master branch. :ule,l
 
 In this case, Axel assigned the tutorial to Steve:
 
@@ -381,3 +414,6 @@ Furthermore, the naming of the patches now follow the pattern
 "patch_<Day><Month><Year>" to simplify comparisons between releases.
 Finally, all patches and submissions are subject to automatic testing
 and code checks to make sure they at the very least compile.
+
+A discussion of the LAMMPS developer GitHub workflow can be found in the file
+"doc/github-development-workflow.md"_https://github.com/lammps/lammps/blob/master/doc/github-development-workflow.md

From 0264edfcec4340bad9ccd8a70e17448e58204c74 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 16:27:47 -0500
Subject: [PATCH 138/273] provide example for how to set Tdamp correctly to 100
 timesteps for all choices of unit

---
 doc/src/fix_nh.txt | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/doc/src/fix_nh.txt b/doc/src/fix_nh.txt
index 644ced4bdc..1ff80f5b7a 100644
--- a/doc/src/fix_nh.txt
+++ b/doc/src/fix_nh.txt
@@ -123,7 +123,12 @@ of {Tdamp}.  If {Tdamp} is too small, the temperature can fluctuate
 wildly; if it is too large, the temperature will take a very long time
 to equilibrate.  A good choice for many models is a {Tdamp} of around
 100 timesteps.  Note that this is NOT the same as 100 time units for
-most "units"_units.html settings.
+most "units"_units.html settings. A simple way to ensure this, is
+via using an "immediate variable"_variable.html expression accessing
+the thermo property 'dt', which is the length of the time step. Example:
+
+fix 1 all nvt temp 300.0 300.0 $(100.0*dt) :pre
+
 
 :line
 

From dc6054fc2d4444398c5cfe5af7a979c8d2a52f32 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 22:04:35 -0500
Subject: [PATCH 139/273] rename "All commands" headers to "General commands"

---
 doc/src/Commands.txt          | 8 ++++----
 doc/src/Commands_all.txt      | 6 +++---
 doc/src/Commands_bond.txt     | 2 +-
 doc/src/Commands_category.txt | 7 +++----
 doc/src/Commands_compute.txt  | 2 +-
 doc/src/Commands_fix.txt      | 2 +-
 doc/src/Commands_kspace.txt   | 2 +-
 doc/src/Commands_pair.txt     | 2 +-
 8 files changed, 15 insertions(+), 16 deletions(-)

diff --git a/doc/src/Commands.txt b/doc/src/Commands.txt
index a1a94c6d29..bb3fab3683 100644
--- a/doc/src/Commands.txt
+++ b/doc/src/Commands.txt
@@ -42,10 +42,10 @@ END_RST -->
 "Input script structure"_Commands_structure.html
 "Commands by category"_Commands_category.html :all(b)
 
-"All commands"_Commands_all.html 
-"Fix commands"_Commands_fix.html 
-"Compute commands"_Commands_compute.html 
-"Pair commands"_Commands_pair.html 
+"General commands"_Commands_all.html
+"Fix commands"_Commands_fix.html
+"Compute commands"_Commands_compute.html
+"Pair commands"_Commands_pair.html
 "Bond, angle, dihedral, improper commands"_Commands_bond.html
 "KSpace solvers"_Commands_kspace.html  :all(b)
 
diff --git a/doc/src/Commands_all.txt b/doc/src/Commands_all.txt
index c0b8c4516d..f137ccffd9 100644
--- a/doc/src/Commands_all.txt
+++ b/doc/src/Commands_all.txt
@@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,
@@ -17,9 +17,9 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 "Improper styles"_Commands_bond.html#improper,
 "KSpace styles"_Commands_kspace.html :tb(c=3,ea=c)
 
-All commands :h3
+General commands :h3
 
-An alphabetic list of all LAMMPS commands.
+An alphabetic list of all general LAMMPS commands.
 
 "angle_coeff"_angle_coeff.html,
 "angle_style"_angle_style.html,
diff --git a/doc/src/Commands_bond.txt b/doc/src/Commands_bond.txt
index d4d48924a7..fbf292aab2 100644
--- a/doc/src/Commands_bond.txt
+++ b/doc/src/Commands_bond.txt
@@ -5,7 +5,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 :link(ld,Manual.html)
 :link(lc,Commands_all.html)
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,
diff --git a/doc/src/Commands_category.txt b/doc/src/Commands_category.txt
index 5d047c6727..134dae82bb 100644
--- a/doc/src/Commands_category.txt
+++ b/doc/src/Commands_category.txt
@@ -10,10 +10,9 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 Commands by category :h3
 
 This page lists most of the LAMMPS commands, grouped by category.  The
-"Commands all"_Commands_all.html doc page lists all commands
-alphabetically.  It also includes long lists of style options for
-entries that appear in the following categories as a single command
-(fix, compute, pair, etc).
+"General commands"_Commands_all.html doc page lists all general commands
+alphabetically.  Style options for entries like fix, compute, pair etc.
+have their own pages where they are listed alphabetically.
 
 Initialization:
 
diff --git a/doc/src/Commands_compute.txt b/doc/src/Commands_compute.txt
index eb802030e2..f566702609 100644
--- a/doc/src/Commands_compute.txt
+++ b/doc/src/Commands_compute.txt
@@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,
diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 6d8f67b503..1e4eb27196 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,
diff --git a/doc/src/Commands_kspace.txt b/doc/src/Commands_kspace.txt
index d56b7fa767..02b41b9d67 100644
--- a/doc/src/Commands_kspace.txt
+++ b/doc/src/Commands_kspace.txt
@@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,
diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt
index 7af2cc9bae..bf2b2b4f39 100644
--- a/doc/src/Commands_pair.txt
+++ b/doc/src/Commands_pair.txt
@@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 :line
 
-"All commands"_Commands_all.html,
+"General commands"_Commands_all.html,
 "Fix styles"_Commands_fix.html,
 "Compute styles"_Commands_compute.html,
 "Pair styles"_Commands_pair.html,

From bbcb659158bd7e915b9f955d88b1601b70e4090e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 22:09:07 -0500
Subject: [PATCH 140/273] render fix commands in 6 columns instead of 8 so only
 narrow screens need to scroll horizontally

---
 doc/src/Commands_fix.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/Commands_fix.txt b/doc/src/Commands_fix.txt
index 1e4eb27196..fb4515b486 100644
--- a/doc/src/Commands_fix.txt
+++ b/doc/src/Commands_fix.txt
@@ -235,4 +235,4 @@ OPT.
 "wall/reflect (k)"_fix_wall_reflect.html,
 "wall/region"_fix_wall_region.html,
 "wall/region/ees"_fix_wall_ees.html,
-"wall/srd"_fix_wall_srd.html :tb(c=8,ea=c)
+"wall/srd"_fix_wall_srd.html :tb(c=6,ea=c)

From da88305f4df4d6b4fec7c4570867cf80e61d3ccc Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Fri, 16 Nov 2018 20:41:49 -0700
Subject: [PATCH 141/273] bond/react: doc corrections, mostly formatting

---
 doc/src/fix_bond_react.txt | 37 +++++++++++++++++++------------------
 1 file changed, 19 insertions(+), 18 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index 55a5785f7f..c0f60d84a0 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -25,7 +25,7 @@ common_keyword = {stabilization} :l
     {no} = no reaction site stabilization
     {yes} = perform reaction site stabilization
       {group-ID} = user-assigned prefix for the dynamic group of non-reacting atoms
-      {xmax} = xmax value that is used by an internally created "nve/limit"_fix_nve_limit.html integrator :pre
+      {xmax} = xmax value that is used by an internally-created "nve/limit"_fix_nve_limit.html integrator :pre
 react = mandatory argument indicating new reaction specification :l
   react-ID = user-assigned name for the reaction :l
   react-group-ID = only atoms in this group are considered for the reaction :l
@@ -36,13 +36,13 @@ react = mandatory argument indicating new reaction specification :l
   template-ID(post-reacted) = ID of a molecule template containing post-reaction topology :l
   map_file = name of file specifying corresponding atom-IDs in the pre- and post-reacted templates :l
   zero or more individual keyword/value pairs may be appended to each react argument :l
-  individual_keyword = {prob} or {stabilize_steps} :l
+  individual_keyword = {prob} or {stabilize_steps} or {update_edges} :l
     {prob} values = fraction seed
       fraction = initiate reaction with this probability if otherwise eligible
       seed = random number seed (positive integer)
     {stabilize_steps} value = timesteps
-      timesteps = number of timesteps to apply internally created nve/limit fix :pre
-    {update_edges} value = {none} or {charges} :l
+      timesteps = number of timesteps to apply the internally-created "nve/limit"_fix_nve_limit.html fix to reacting atoms
+    {update_edges} value = {none} or {charges} or {custom}
       none = do not update topology near the edges of reaction templates
       charges = update atomic charges of all atoms in reaction templates
       custom = force the update of user-specified atomic charges :pre
@@ -95,7 +95,7 @@ necessary because the 'common keywords' are applied to all reactions.
 
 The {stabilization} keyword enables reaction site stabilization.
 Reaction site stabilization is performed by including reacting atoms
-in an internally created fix "nve/limit"_fix_nve_limit.html time
+in an internally-created fix "nve/limit"_fix_nve_limit.html time
 integrator for a set number of timesteps given by the
 {stabilize_steps} keyword. While reacting atoms are being time
 integrated by the internal nve/limit, they are prevented from being
@@ -122,12 +122,13 @@ due to the internal dynamic grouping performed by fix bond/react.
 NOTE: If the group-ID is an existing static group, react-group-IDs
 should also be specified as this static group, or a subset.
 
-NOTE: If the group-ID is previously unused, the internally created
+NOTE: If the group-ID is previously unused, the internally-created
 group applies to all atoms in the system, i.e. you should generally
 not have a separate thermostat which acts on the 'all' group, or any
 other group.
 
-The following comments pertain to each {react} argument:
+The following comments pertain to each {react} argument (in other
+words, can be customized for each specified reaction):
 
 A check for possible new reaction sites is performed every {Nevery}
 timesteps.
@@ -202,9 +203,9 @@ A discussion of correctly handling this is also provided on the
 The map file is a text document with the following format:
 
 A map file has a header and a body. The header of map file the
-contains one mandatory keyword and two optional keywords. The mandatory
-keyword is 'equivalences' and the optional keywords are 'edgeIDs' and
-'customIDs':
+contains one mandatory keyword and two optional keywords. The
+mandatory keyword is 'equivalences' and the optional keywords are
+'edgeIDs' and 'customIDs':
 
 N {equivalences} = # of atoms N in the reaction molecule templates
 N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
@@ -286,6 +287,14 @@ The {stabilize_steps} keyword allows for the specification of how many
 timesteps a reaction site is stabilized before being returned to the
 overall system thermostat.
 
+In order to produce the most physical behavior, this 'reaction site
+equilibration time' should be tuned to be as small as possible while
+retaining stability for a given system or reaction step. After a
+limited number of case studies, this number has been set to a default
+of 60 timesteps. Ideally, it should be individually tuned for each fix
+reaction step. Note that in some situations, decreasing rather than
+increasing this parameter will result in an increase in stability.
+
 The {update_edges} keyword can increase the number of atoms whose
 atomic charges are updated, when the pre-reaction template contains
 edge atoms. When the value is set to 'charges,' all atoms' atomic
@@ -298,14 +307,6 @@ atom ID with a value of 'charges' will force the update of the atom's
 charge, even if it is near a template edge. Atoms not near a template
 edge are unaffected by this setting.
 
-In order to produce the most physical behavior, this 'reaction site
-equilibration time' should be tuned to be as small as possible while
-retaining stability for a given system or reaction step. After a
-limited number of case studies, this number has been set to a default
-of 60 timesteps. Ideally, it should be individually tuned for each fix
-reaction step. Note that in some situations, decreasing rather than
-increasing this parameter will result in an increase in stability.
-
 A few other considerations:
 
 It may be beneficial to ensure reacting atoms are at a certain

From d7abb8cf4dda5b5df6f510a32fed7f2a437c509e Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Fri, 16 Nov 2018 20:42:52 -0700
Subject: [PATCH 142/273] Revert "bond/react: doc corrections, mostly
 formatting"

This reverts commit da88305f4df4d6b4fec7c4570867cf80e61d3ccc.
---
 doc/src/fix_bond_react.txt | 37 ++++++++++++++++++-------------------
 1 file changed, 18 insertions(+), 19 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index c0f60d84a0..55a5785f7f 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -25,7 +25,7 @@ common_keyword = {stabilization} :l
     {no} = no reaction site stabilization
     {yes} = perform reaction site stabilization
       {group-ID} = user-assigned prefix for the dynamic group of non-reacting atoms
-      {xmax} = xmax value that is used by an internally-created "nve/limit"_fix_nve_limit.html integrator :pre
+      {xmax} = xmax value that is used by an internally created "nve/limit"_fix_nve_limit.html integrator :pre
 react = mandatory argument indicating new reaction specification :l
   react-ID = user-assigned name for the reaction :l
   react-group-ID = only atoms in this group are considered for the reaction :l
@@ -36,13 +36,13 @@ react = mandatory argument indicating new reaction specification :l
   template-ID(post-reacted) = ID of a molecule template containing post-reaction topology :l
   map_file = name of file specifying corresponding atom-IDs in the pre- and post-reacted templates :l
   zero or more individual keyword/value pairs may be appended to each react argument :l
-  individual_keyword = {prob} or {stabilize_steps} or {update_edges} :l
+  individual_keyword = {prob} or {stabilize_steps} :l
     {prob} values = fraction seed
       fraction = initiate reaction with this probability if otherwise eligible
       seed = random number seed (positive integer)
     {stabilize_steps} value = timesteps
-      timesteps = number of timesteps to apply the internally-created "nve/limit"_fix_nve_limit.html fix to reacting atoms
-    {update_edges} value = {none} or {charges} or {custom}
+      timesteps = number of timesteps to apply internally created nve/limit fix :pre
+    {update_edges} value = {none} or {charges} :l
       none = do not update topology near the edges of reaction templates
       charges = update atomic charges of all atoms in reaction templates
       custom = force the update of user-specified atomic charges :pre
@@ -95,7 +95,7 @@ necessary because the 'common keywords' are applied to all reactions.
 
 The {stabilization} keyword enables reaction site stabilization.
 Reaction site stabilization is performed by including reacting atoms
-in an internally-created fix "nve/limit"_fix_nve_limit.html time
+in an internally created fix "nve/limit"_fix_nve_limit.html time
 integrator for a set number of timesteps given by the
 {stabilize_steps} keyword. While reacting atoms are being time
 integrated by the internal nve/limit, they are prevented from being
@@ -122,13 +122,12 @@ due to the internal dynamic grouping performed by fix bond/react.
 NOTE: If the group-ID is an existing static group, react-group-IDs
 should also be specified as this static group, or a subset.
 
-NOTE: If the group-ID is previously unused, the internally-created
+NOTE: If the group-ID is previously unused, the internally created
 group applies to all atoms in the system, i.e. you should generally
 not have a separate thermostat which acts on the 'all' group, or any
 other group.
 
-The following comments pertain to each {react} argument (in other
-words, can be customized for each specified reaction):
+The following comments pertain to each {react} argument:
 
 A check for possible new reaction sites is performed every {Nevery}
 timesteps.
@@ -203,9 +202,9 @@ A discussion of correctly handling this is also provided on the
 The map file is a text document with the following format:
 
 A map file has a header and a body. The header of map file the
-contains one mandatory keyword and two optional keywords. The
-mandatory keyword is 'equivalences' and the optional keywords are
-'edgeIDs' and 'customIDs':
+contains one mandatory keyword and two optional keywords. The mandatory
+keyword is 'equivalences' and the optional keywords are 'edgeIDs' and
+'customIDs':
 
 N {equivalences} = # of atoms N in the reaction molecule templates
 N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
@@ -287,14 +286,6 @@ The {stabilize_steps} keyword allows for the specification of how many
 timesteps a reaction site is stabilized before being returned to the
 overall system thermostat.
 
-In order to produce the most physical behavior, this 'reaction site
-equilibration time' should be tuned to be as small as possible while
-retaining stability for a given system or reaction step. After a
-limited number of case studies, this number has been set to a default
-of 60 timesteps. Ideally, it should be individually tuned for each fix
-reaction step. Note that in some situations, decreasing rather than
-increasing this parameter will result in an increase in stability.
-
 The {update_edges} keyword can increase the number of atoms whose
 atomic charges are updated, when the pre-reaction template contains
 edge atoms. When the value is set to 'charges,' all atoms' atomic
@@ -307,6 +298,14 @@ atom ID with a value of 'charges' will force the update of the atom's
 charge, even if it is near a template edge. Atoms not near a template
 edge are unaffected by this setting.
 
+In order to produce the most physical behavior, this 'reaction site
+equilibration time' should be tuned to be as small as possible while
+retaining stability for a given system or reaction step. After a
+limited number of case studies, this number has been set to a default
+of 60 timesteps. Ideally, it should be individually tuned for each fix
+reaction step. Note that in some situations, decreasing rather than
+increasing this parameter will result in an increase in stability.
+
 A few other considerations:
 
 It may be beneficial to ensure reacting atoms are at a certain

From 1d4e1f142572f70dacd6c66a1c1d0168ae720903 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Fri, 16 Nov 2018 20:47:51 -0700
Subject: [PATCH 143/273] bond/react:doc corrections

---
 doc/src/fix_bond_react.txt | 37 +++++++++++++++++++------------------
 1 file changed, 19 insertions(+), 18 deletions(-)

diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index 55a5785f7f..ab7b247aaa 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -25,7 +25,7 @@ common_keyword = {stabilization} :l
     {no} = no reaction site stabilization
     {yes} = perform reaction site stabilization
       {group-ID} = user-assigned prefix for the dynamic group of non-reacting atoms
-      {xmax} = xmax value that is used by an internally created "nve/limit"_fix_nve_limit.html integrator :pre
+      {xmax} = xmax value that is used by an internally-created "nve/limit"_fix_nve_limit.html integrator :pre
 react = mandatory argument indicating new reaction specification :l
   react-ID = user-assigned name for the reaction :l
   react-group-ID = only atoms in this group are considered for the reaction :l
@@ -36,13 +36,13 @@ react = mandatory argument indicating new reaction specification :l
   template-ID(post-reacted) = ID of a molecule template containing post-reaction topology :l
   map_file = name of file specifying corresponding atom-IDs in the pre- and post-reacted templates :l
   zero or more individual keyword/value pairs may be appended to each react argument :l
-  individual_keyword = {prob} or {stabilize_steps} :l
+  individual_keyword = {prob} or {stabilize_steps} or {update_edges} :l
     {prob} values = fraction seed
       fraction = initiate reaction with this probability if otherwise eligible
       seed = random number seed (positive integer)
     {stabilize_steps} value = timesteps
-      timesteps = number of timesteps to apply internally created nve/limit fix :pre
-    {update_edges} value = {none} or {charges} :l
+      timesteps = number of timesteps to apply the internally-created "nve/limit"_fix_nve_limit.html fix to reacting atoms
+    {update_edges} value = {none} or {charges} or {custom}
       none = do not update topology near the edges of reaction templates
       charges = update atomic charges of all atoms in reaction templates
       custom = force the update of user-specified atomic charges :pre
@@ -95,7 +95,7 @@ necessary because the 'common keywords' are applied to all reactions.
 
 The {stabilization} keyword enables reaction site stabilization.
 Reaction site stabilization is performed by including reacting atoms
-in an internally created fix "nve/limit"_fix_nve_limit.html time
+in an internally-created fix "nve/limit"_fix_nve_limit.html time
 integrator for a set number of timesteps given by the
 {stabilize_steps} keyword. While reacting atoms are being time
 integrated by the internal nve/limit, they are prevented from being
@@ -122,12 +122,13 @@ due to the internal dynamic grouping performed by fix bond/react.
 NOTE: If the group-ID is an existing static group, react-group-IDs
 should also be specified as this static group, or a subset.
 
-NOTE: If the group-ID is previously unused, the internally created
+NOTE: If the group-ID is previously unused, the internally-created
 group applies to all atoms in the system, i.e. you should generally
 not have a separate thermostat which acts on the 'all' group, or any
 other group.
 
-The following comments pertain to each {react} argument:
+The following comments pertain to each {react} argument (in other
+words, can be customized for each reaction, or reaction step):
 
 A check for possible new reaction sites is performed every {Nevery}
 timesteps.
@@ -202,9 +203,9 @@ A discussion of correctly handling this is also provided on the
 The map file is a text document with the following format:
 
 A map file has a header and a body. The header of map file the
-contains one mandatory keyword and two optional keywords. The mandatory
-keyword is 'equivalences' and the optional keywords are 'edgeIDs' and
-'customIDs':
+contains one mandatory keyword and two optional keywords. The
+mandatory keyword is 'equivalences' and the optional keywords are
+'edgeIDs' and 'customIDs':
 
 N {equivalences} = # of atoms N in the reaction molecule templates
 N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
@@ -286,6 +287,14 @@ The {stabilize_steps} keyword allows for the specification of how many
 timesteps a reaction site is stabilized before being returned to the
 overall system thermostat.
 
+In order to produce the most physical behavior, this 'reaction site
+equilibration time' should be tuned to be as small as possible while
+retaining stability for a given system or reaction step. After a
+limited number of case studies, this number has been set to a default
+of 60 timesteps. Ideally, it should be individually tuned for each fix
+reaction step. Note that in some situations, decreasing rather than
+increasing this parameter will result in an increase in stability.
+
 The {update_edges} keyword can increase the number of atoms whose
 atomic charges are updated, when the pre-reaction template contains
 edge atoms. When the value is set to 'charges,' all atoms' atomic
@@ -298,14 +307,6 @@ atom ID with a value of 'charges' will force the update of the atom's
 charge, even if it is near a template edge. Atoms not near a template
 edge are unaffected by this setting.
 
-In order to produce the most physical behavior, this 'reaction site
-equilibration time' should be tuned to be as small as possible while
-retaining stability for a given system or reaction step. After a
-limited number of case studies, this number has been set to a default
-of 60 timesteps. Ideally, it should be individually tuned for each fix
-reaction step. Note that in some situations, decreasing rather than
-increasing this parameter will result in an increase in stability.
-
 A few other considerations:
 
 It may be beneficial to ensure reacting atoms are at a certain

From a7bfb30043ba5c2fd8142175f57acb0784e8ad98 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 16 Nov 2018 23:03:47 -0500
Subject: [PATCH 144/273] update atc/cauchy_born examples with missing files

---
 examples/USER/atc/cauchy_born/Au_u3.eam       |    1 +
 .../atc/cauchy_born/ftcb_constV_setup.init    | 1751 +++++++++++++++++
 .../USER/atc/cauchy_born/read_xref_0.data     |  535 +++++
 .../USER/atc/cauchy_born/read_xref_1.init     |  531 +++++
 lib/atc/DenseVector.h                         |    4 +-
 5 files changed, 2820 insertions(+), 2 deletions(-)
 create mode 120000 examples/USER/atc/cauchy_born/Au_u3.eam
 create mode 100644 examples/USER/atc/cauchy_born/ftcb_constV_setup.init
 create mode 100644 examples/USER/atc/cauchy_born/read_xref_0.data
 create mode 100644 examples/USER/atc/cauchy_born/read_xref_1.init

diff --git a/examples/USER/atc/cauchy_born/Au_u3.eam b/examples/USER/atc/cauchy_born/Au_u3.eam
new file mode 120000
index 0000000000..2ace8a4162
--- /dev/null
+++ b/examples/USER/atc/cauchy_born/Au_u3.eam
@@ -0,0 +1 @@
+../../../../potentials/Au_u3.eam
\ No newline at end of file
diff --git a/examples/USER/atc/cauchy_born/ftcb_constV_setup.init b/examples/USER/atc/cauchy_born/ftcb_constV_setup.init
new file mode 100644
index 0000000000..c8ab629267
--- /dev/null
+++ b/examples/USER/atc/cauchy_born/ftcb_constV_setup.init
@@ -0,0 +1,1751 @@
+LAMMPS data file from restart file: timestep = 0, procs = 1
+
+864 atoms
+
+1 atom types
+
+0.0000000000000000e+00 3.1537364922000002e+01 xlo xhi
+0.0000000000000000e+00 3.1537364922000002e+01 ylo yhi
+0.0000000000000000e+00 3.1537364922000002e+01 zlo zhi
+
+Masses
+
+1 39.95
+
+Pair Coeffs
+
+1 0.238 3.405
+
+Atoms
+
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diff --git a/examples/USER/atc/cauchy_born/read_xref_0.data b/examples/USER/atc/cauchy_born/read_xref_0.data
new file mode 100644
index 0000000000..a4d1dd74c7
--- /dev/null
+++ b/examples/USER/atc/cauchy_born/read_xref_0.data
@@ -0,0 +1,535 @@
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diff --git a/examples/USER/atc/cauchy_born/read_xref_1.init b/examples/USER/atc/cauchy_born/read_xref_1.init
new file mode 100644
index 0000000000..60b676543e
--- /dev/null
+++ b/examples/USER/atc/cauchy_born/read_xref_1.init
@@ -0,0 +1,531 @@
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+240 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+241 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+242 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+243 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+244 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+245 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+246 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+247 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+248 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+249 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+250 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+251 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+252 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+253 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+254 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+255 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
+256 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
diff --git a/lib/atc/DenseVector.h b/lib/atc/DenseVector.h
index bbca12997b..70e223d988 100644
--- a/lib/atc/DenseVector.h
+++ b/lib/atc/DenseVector.h
@@ -82,7 +82,7 @@ void DenseVector<T>::resize(INDEX rows, INDEX cols, bool copy)
 ///////////////////////////////////////////////////////////////////////////////
 //* resizes the matrix and optionally zeros it out
 template <typename T>
-void DenseVector<T>::reset(INDEX rows, INDEX cols, bool zero)
+void DenseVector<T>::reset(INDEX rows, INDEX /* cols */, bool zero)
 {
   if (_size!=rows)
   {
@@ -94,7 +94,7 @@ void DenseVector<T>::reset(INDEX rows, INDEX cols, bool zero)
 ///////////////////////////////////////////////////////////////////////////////
 //* resizes the matrix and optionally zeros it out
 template <typename T>
-void DenseVector<T>::copy(const T * ptr, INDEX rows, INDEX cols)
+void DenseVector<T>::copy(const T * ptr, INDEX rows, INDEX /* cols */)
 {
   resize(rows, 1, false);
   memcpy(_data, ptr, this->size()*sizeof(T));

From 1597e78d5a0ed99e11c371e300b6a9ba4c96aa25 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 17 Nov 2018 06:39:28 -0500
Subject: [PATCH 145/273] guarantee initialization of hyperflag

---
 src/REPLICA/fix_hyper.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/REPLICA/fix_hyper.cpp b/src/REPLICA/fix_hyper.cpp
index 829d4b2474..c86c00ad45 100644
--- a/src/REPLICA/fix_hyper.cpp
+++ b/src/REPLICA/fix_hyper.cpp
@@ -18,7 +18,8 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-FixHyper::FixHyper(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) {}
+FixHyper::FixHyper(LAMMPS *lmp, int narg, char **arg)
+        : Fix(lmp, narg, arg), hyperflag(0) {}
 
 /* ----------------------------------------------------------------------
    extract hyper flag setting for all Fixes that perform hyperdynamics

From c49c35e41db01b78752abeaeaa1ff2b9a3f4ca77 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 17 Nov 2018 06:40:33 -0500
Subject: [PATCH 146/273] avoid tuncation error through integer division and
 promote to use "bigint" instead of "int" to avoid overflows for large systems

---
 src/REPLICA/fix_hyper_local.cpp | 24 +++++++++++++-----------
 1 file changed, 13 insertions(+), 11 deletions(-)

diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 4868cd75de..d4fa08f261 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -44,9 +44,9 @@ enum{IGNORE,WARN,ERROR};
 /* ---------------------------------------------------------------------- */
 
 FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
-  FixHyper(lmp, narg, arg), old2now(NULL), xold(NULL), tagold(NULL), 
-  bonds(NULL), numbond(NULL), maxstrain(NULL), maxstrain_region(NULL), 
-  maxstrain_bondindex(NULL), biasflag(NULL), boost(NULL), 
+  FixHyper(lmp, narg, arg), old2now(NULL), xold(NULL), tagold(NULL),
+  bonds(NULL), numbond(NULL), maxstrain(NULL), maxstrain_region(NULL),
+  maxstrain_bondindex(NULL), biasflag(NULL), boost(NULL),
   histo(NULL), allhisto(NULL)
 {
   // error checks
@@ -1274,16 +1274,18 @@ double FixHyperLocal::compute_vector(int i)
   if (i == 3) return 1.0*allbonds/atom->natoms;
 
   if (i == 4) {
-    int nlocal = atom->nlocal;
-    int nbonds = 0;   // BIGINT?
+    const int nlocal = atom->nlocal;
+    bigint nbonds = 0;
     for (int j = 0; j < nlocal; j++)
       nbonds += numbond[j];
-    int allbonds;
-    MPI_Allreduce(&nbonds,&allbonds,1,MPI_INT,MPI_SUM,world);
-    int allneigh;   // BIGINT?
-    MPI_Allreduce(&list->ipage->ndatum,&allneigh,1,MPI_INT,MPI_SUM,world);
-    double neighsperatom = allneigh/atom->natoms; 
-    double bondsperatom = 0.5*allbonds/atom->natoms;
+    bigint allbonds;
+    MPI_Allreduce(&nbonds,&allbonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
+    bigint allneigh,thisneigh;
+    thisneigh = list->ipage->ndatum;
+    MPI_Allreduce(&thisneigh,&allneigh,1,MPI_LMP_BIGINT,MPI_SUM,world);
+    const double natoms = atom->natoms;
+    const double neighsperatom = static_cast<double>(allneigh)/natoms;
+    const double bondsperatom = 0.5*static_cast<double>(allbonds)/natoms;
     return neighsperatom * bondsperatom;
   }
 

From 4dc2f9c6c4019586a02175e9b05ccbddb9b87ec1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 11:24:17 -0500
Subject: [PATCH 147/273] fix some spelling errors in the manual

---
 doc/src/Build_basics.txt          |  2 +-
 doc/src/Build_extras.txt          |  2 +-
 doc/src/Howto_client_server.txt   |  2 +-
 doc/src/Install_git.txt           |  2 +-
 doc/src/Speed_kokkos.txt          | 30 +++++++++++++++---------------
 doc/src/Speed_omp.txt             |  4 ++--
 doc/src/compute_property_atom.txt |  6 +++---
 doc/src/compute_ptm_atom.txt      |  2 +-
 doc/src/fix_plumed.txt            | 11 ++++++-----
 doc/src/fix_rigid.txt             |  2 +-
 doc/src/fix_rigid_meso.txt        |  2 +-
 doc/src/hyper.txt                 |  2 +-
 doc/src/kspace_modify.txt         |  2 +-
 doc/src/message.txt               |  2 +-
 doc/src/neb.txt                   |  2 +-
 doc/src/rerun.txt                 |  4 ++--
 16 files changed, 39 insertions(+), 38 deletions(-)

diff --git a/doc/src/Build_basics.txt b/doc/src/Build_basics.txt
index b3ff0a55c5..47801890c4 100644
--- a/doc/src/Build_basics.txt
+++ b/doc/src/Build_basics.txt
@@ -292,7 +292,7 @@ This will create a lammps/doc/html dir with the HTML doc pages so that
 you can browse them locally on your system.  Type "make" from the
 lammps/doc dir to see other options.
 
-NOTE: You can also download a tarball of the documention for the
+NOTE: You can also download a tarball of the documentation for the
 current LAMMPS version (HTML and PDF files), from the website
 "download page"_http://lammps.sandia.gov/download.html.
 
diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 8881ee44c1..98937c096e 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -732,7 +732,7 @@ can be shared across multiple MD packages and can be updated, for as
 long as the shared PLUMED library is ABI-compatible. The third linkage
 mode is "runtime" which allows to switch the PLUMED kernel at runtime
 between different variants through setting the PLUMED_KERNEL environment
-varible, which has to point to the location of the libplumedKernel.so
+variable, which has to point to the location of the libplumedKernel.so
 dynamical shared object, which is then loaded at runtime. This is
 particularly convenient for doing PLUMED development and comparing
 multiple PLUMED versions without having to recompile the hosting MD
diff --git a/doc/src/Howto_client_server.txt b/doc/src/Howto_client_server.txt
index aa6b8eab76..897b0aa6ff 100644
--- a/doc/src/Howto_client_server.txt
+++ b/doc/src/Howto_client_server.txt
@@ -64,7 +64,7 @@ client or server.
 "server mc"_server_mc.html = LAMMPS is a server for computing a Monte Carlo energy :ul
 
 The server doc files give details of the message protocols
-for data that is exchanged bewteen the client and server.
+for data that is exchanged between the client and server.
 
 These example directories illustrate how to use LAMMPS as either a
 client or server code:
diff --git a/doc/src/Install_git.txt b/doc/src/Install_git.txt
index 538fa8aff8..80ec3e3478 100644
--- a/doc/src/Install_git.txt
+++ b/doc/src/Install_git.txt
@@ -45,7 +45,7 @@ git clone -b unstable https://github.com/lammps/lammps.git mylammps :pre
 where "mylammps" is the name of the directory you wish to create on
 your machine and "unstable" is one of the 3 branches listed above.
 (Note that you actually download all 3 branches; you can switch
-between them at any time using "git checkout <branchname>".)
+between them at any time using "git checkout <branch name>".)
 
 Once the command completes, your directory will contain the same files
 as if you unpacked a current LAMMPS tarball, with two exceptions:
diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt
index f74c9c9ed7..d1fb52a9f8 100644
--- a/doc/src/Speed_kokkos.txt
+++ b/doc/src/Speed_kokkos.txt
@@ -127,21 +127,21 @@ mpirun -np 16 lmp_kokkos_mpi_only -k on -sf kk -pk kokkos newton on neigh half c
 If the "newton"_newton.html command is used in the input
 script, it can also override the Newton flag defaults.
 
-For half neighbor lists and OpenMP, the KOKKOS package uses data 
-duplication (i.e. thread-private arrays) by default to avoid 
-thread-level write conflicts in the force arrays (and other data 
-structures as necessary). Data duplication is typically fastest for 
-small numbers of threads (i.e. 8 or less) but does increase memory 
-footprint and is not scalable to large numbers of threads. An 
-alternative to data duplication is to use thread-level atomics, which 
-don't require duplication. The use of atomics can be forced by compiling 
-with the "-DLMP_KOKKOS_USE_ATOMICS" compile switch. Most but not all 
-Kokkos-enabled pair_styles support data duplication. Alternatively, full 
-neighbor lists avoid the need for duplication or atomics but require 
-more compute operations per atom. When using the Kokkos Serial backend 
-or the OpenMP backend with a single thread, no duplication or atomics are 
-used. For CUDA and half neighbor lists, the KOKKOS package always uses 
-atomics.
+For half neighbor lists and OpenMP, the KOKKOS package uses data
+duplication (i.e. thread-private arrays) by default to avoid
+thread-level write conflicts in the force arrays (and other data
+structures as necessary). Data duplication is typically fastest for
+small numbers of threads (i.e. 8 or less) but does increase memory
+footprint and is not scalable to large numbers of threads. An
+alternative to data duplication is to use thread-level atomic operations
+which do not require data duplication. The use of atomic operations can
+be enforced by compiling LAMMPS with the "-DLMP_KOKKOS_USE_ATOMICS"
+pre-processor flag. Most but not all Kokkos-enabled pair_styles support
+data duplication. Alternatively, full neighbor lists avoid the need for
+duplication or atomic operations but require more compute operations per
+atom.  When using the Kokkos Serial backend or the OpenMP backend with
+a single thread, no duplication or atomic operations are used. For CUDA
+and half neighbor lists, the KOKKOS package always uses atomic operations.
 
 [Core and Thread Affinity:]
 
diff --git a/doc/src/Speed_omp.txt b/doc/src/Speed_omp.txt
index 238909d1b4..97aa251e9e 100644
--- a/doc/src/Speed_omp.txt
+++ b/doc/src/Speed_omp.txt
@@ -131,7 +131,7 @@ effect worsens when using an increasing number of nodes. :l
 The system has a spatially inhomogeneous particle density which does
 not map well to the "domain decomposition scheme"_processors.html or
 "load-balancing"_balance.html options that LAMMPS provides.  This is
-because multi-threading achives parallelism over the number of
+because multi-threading achieves parallelism over the number of
 particles, not via their distribution in space. :l
 
 A machine is being used in "capability mode", i.e. near the point
@@ -143,7 +143,7 @@ the performance-limiting factor.  Using multi-threading allows less
 MPI tasks to be invoked and can speed-up the long-range solver, while
 increasing overall performance by parallelizing the pairwise and
 bonded calculations via OpenMP.  Likewise additional speedup can be
-sometimes be achived by increasing the length of the Coulombic cutoff
+sometimes be achieved by increasing the length of the Coulombic cutoff
 and thus reducing the work done by the long-range solver.  Using the
 "run_style verlet/split"_run_style.html command, which is compatible
 with the USER-OMP package, is an alternative way to reduce the number
diff --git a/doc/src/compute_property_atom.txt b/doc/src/compute_property_atom.txt
index bc1e3049fa..3c55c88d10 100644
--- a/doc/src/compute_property_atom.txt
+++ b/doc/src/compute_property_atom.txt
@@ -19,7 +19,7 @@ input = one or more atom attributes :l
                         x, y, z, xs, ys, zs, xu, yu, zu, ix, iy, iz,
                         vx, vy, vz, fx, fy, fz,
                         q, mux, muy, muz, mu,
-			sp, spx, spy, spz, fmx, fmy, fmz,
+                        sp, spx, spy, spz, fmx, fmy, fmz,
                         radius, diameter, omegax, omegay, omegaz,
                         angmomx, angmomy, angmomz,
                         shapex,shapey, shapez,
@@ -158,8 +158,8 @@ corresponding attribute is in, e.g. velocity units for vx, charge
 units for q, etc.
 
 For the spin quantities, sp is in the units of the Bohr magneton, spx,
-spy, and spz are adimensional quantities, and fmx, fmy and fmz are 
-given in rad.THz. 
+spy, and spz are unitless quantities, and fmx, fmy and fmz are given
+in rad/THz.
 
 [Restrictions:] none
 
diff --git a/doc/src/compute_ptm_atom.txt b/doc/src/compute_ptm_atom.txt
index 8f79fe502b..57e143404e 100644
--- a/doc/src/compute_ptm_atom.txt
+++ b/doc/src/compute_ptm_atom.txt
@@ -80,7 +80,7 @@ too frequently or to have multiple compute/dump commands, each with a
 
 [Output info:]
 
-This compute calculates a per-atom arry, which can be accessed by
+This compute calculates a per-atom array, which can be accessed by
 any command that uses per-atom values from a compute as input.  See
 the "Howto output"_Howto_output.html doc page for an overview of
 LAMMPS output options.
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index 9c7f45af1e..a9795850f5 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -65,11 +65,12 @@ PLUMED input file.  Instructions as to what should be included in a
 plumed input file can be found in the "documentation for
 PLUMED"_plumeddocs
 
-The {outfile} keyword allows the user to specify the name of a file on
-which to output the PLUMED log.  This log file normally just parrots the
-information that is contained in the input file.  The names of the files
-on which the results from the various analyses that have been performed
-using PLUMED will be specified by the user in the PLUMED input file.
+The {outfile} keyword allows the user to specify the name of a file in
+which to output the PLUMED log.  This log file normally just repeats the
+information that is contained in the input file to confirm it was
+correctly read and parsed.  The names of the files in which the results
+are stored from the various analysis options performed by PLUMED will
+be specified by the user in the PLUMED input file.
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
diff --git a/doc/src/fix_rigid.txt b/doc/src/fix_rigid.txt
index 5d65856735..d45705b2b2 100644
--- a/doc/src/fix_rigid.txt
+++ b/doc/src/fix_rigid.txt
@@ -247,7 +247,7 @@ of atoms that form rigid bodies.  An integer vector defined by the
 "fix property/atom"_fix_property_atom.html command can be used.  Or an
 "atom-style or atomfile-style variable"_variable.html can be used; the
 floating-point value produced by the variable is rounded to an
-integer.  As with bondstyle {molecule}, each set of atoms in the fix
+integer.  As with bodystyle {molecule}, each set of atoms in the fix
 groups with the same integer value is treated as a different rigid
 body.  Since fix property/atom vectors and atom-style variables
 produce values for all atoms, you should be careful to use a fix group
diff --git a/doc/src/fix_rigid_meso.txt b/doc/src/fix_rigid_meso.txt
index 79b014e671..b0a7e3cf9e 100644
--- a/doc/src/fix_rigid_meso.txt
+++ b/doc/src/fix_rigid_meso.txt
@@ -128,7 +128,7 @@ of particles that form rigid bodies.  An integer vector defined by the
 "fix property/atom"_fix_property_atom.html command can be used.  Or an
 "atom-style or atomfile-style variable"_variable.html can be used; the
 floating-point value produced by the variable is rounded to an
-integer.  As with bondstyle {molecule}, each set of particles in the fix
+integer.  As with bodystyle {molecule}, each set of particles in the fix
 groups with the same integer value is treated as a different rigid
 body.  Since fix property/atom vectors and atom-style variables
 produce values for all particles, you should be careful to use a fix group
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index 0ea4ac781b..570f27ca64 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -131,7 +131,7 @@ system (coordinates and velocities) is restored, and dynamics continue.
 At the end of the hyper run, a variety of statistics are output to the
 screen and logfile.  These include info relevant to both global and
 local hyperdynamics, such as the number of events and the elapsed
-hyper time (acclerated time), And it includes info specific to one or
+hyper time (accelerated time), And it includes info specific to one or
 the other, depending on which style of fix was specified by {fix-ID}.
 
 :line
diff --git a/doc/src/kspace_modify.txt b/doc/src/kspace_modify.txt
index 41973601d7..218f85bd74 100644
--- a/doc/src/kspace_modify.txt
+++ b/doc/src/kspace_modify.txt
@@ -326,7 +326,7 @@ field_rel = relative accuracy in electric field :ul
 
 The values with suffix _rel indicate the tolerance is a relative
 tolerance; the other values impose an absolute tolerance on the given
-quantity. Absoulte tolerance in this case means, that for a given
+quantity. Absolute tolerance in this case means, that for a given
 quantity q and a given absolute tolerance of t_a the result should
 be between q-t_a and q+t_a. For a relative tolerance t_r the relative 
 error should not be greater than t_r, i.e. abs(1 - (result/q)) < t_r. 
diff --git a/doc/src/message.txt b/doc/src/message.txt
index 6ceb62a3e6..2b6a894e70 100644
--- a/doc/src/message.txt
+++ b/doc/src/message.txt
@@ -22,7 +22,7 @@ mode = {file} or {zmq} or {mpi/one} or {mpi/two} :l
     socket-ID for server = *:5555, see description below
   {mpi/one} arg = none
   {mpi/two} arg = filename
-    filename = file used to establish communication bewteen 2 MPI jobs :pre
+    filename = file used to establish communication between 2 MPI jobs :pre
 :ule
 
 [Examples:]
diff --git a/doc/src/neb.txt b/doc/src/neb.txt
index 75d199e0b4..e136aa2f2c 100644
--- a/doc/src/neb.txt
+++ b/doc/src/neb.txt
@@ -340,7 +340,7 @@ MaxAtomForce is the maximum force component of any atom in replica i.
 
 When a NEB calculation does not converge properly, the supplementary
 information can help understanding what is going wrong. For instance
-when the path angle becomes accute, the definition of tangent used in
+when the path angle becomes acute, the definition of tangent used in
 the NEB calculation is questionable and the NEB cannot may diverge
 "(Maras)"_#Maras2.
 
diff --git a/doc/src/rerun.txt b/doc/src/rerun.txt
index 71ad464bb0..9a92a7374f 100644
--- a/doc/src/rerun.txt
+++ b/doc/src/rerun.txt
@@ -150,8 +150,8 @@ indent"_fix_indent.html and "fix langevin"_fix_langevin.html.  So you
 should think carefully as to whether that makes sense for the manner
 in which you are reprocessing the dump snapshots.
 
-If you only want the rerun script to perform analyses that do not
-involve pair interactions, such as use compute msd to calculated
+If you only want the rerun script to perform an analysis that does
+not involve pair interactions, such as use compute msd to calculated
 displacements over time, you do not need to define a "pair
 style"_pair_style.html, which may also mean neighbor lists will not
 need to be calculated which saves time.  The "comm_modify

From 809bd855b652a25191fb34970253c067e80e9752 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 11:24:55 -0500
Subject: [PATCH 148/273] adjust wording of non-features discussion to be more
 in-sync with recent developments

---
 doc/src/Intro_nonfeatures.txt | 30 +++++++++++++++++++++---------
 1 file changed, 21 insertions(+), 9 deletions(-)

diff --git a/doc/src/Intro_nonfeatures.txt b/doc/src/Intro_nonfeatures.txt
index 2acf6db71f..316e661475 100644
--- a/doc/src/Intro_nonfeatures.txt
+++ b/doc/src/Intro_nonfeatures.txt
@@ -13,15 +13,19 @@ LAMMPS is designed to be a fast, parallel engine for molecular
 dynamics (MD) simulations.  It provides only a modest amount of
 functionality for setting up simulations and analyzing their output.
 
-Specifically, LAMMPS does not:
+Specifically, LAMMPS was not conceived and designed for:
 
-run thru a GUI
-build molecular systems
+being run thru a GUI
+build molecular systems, or building molecular topologies
 assign force-field coefficients automagically
-perform sophisticated analyses of your MD simulation
+perform sophisticated analysis of your MD simulation
 visualize your MD simulation interactively
 plot your output data :ul
 
+Although over the years these limitations have been somewhat
+reduced through features added to LAMMPS or external tools
+that either interface with LAMMPS or extend LAMMPS.
+
 Here are suggestions on how to perform these tasks:
 
 GUI: LAMMPS can be built as a library and a Python wrapper that wraps
@@ -29,7 +33,7 @@ the library interface is provided.  Thus, GUI interfaces can be
 written in Python (or C or C++ if desired) that run LAMMPS and
 visualize or plot its output.  Examples of this are provided in the
 python directory and described on the "Python"_Python_head.html doc
-page. :ulb,l
+page.  Also, there are several external wrappers or GUI frontends.:ulb,l
 
 Builder: Several pre-processing tools are packaged with LAMMPS.  Some
 of them convert input files in formats produced by other MD codes such
@@ -40,28 +44,36 @@ molecular builder that will generate complex molecular models.  See
 the "Tools"_Tools.html doc page for details on tools packaged with
 LAMMPS.  The "Pre/post processing
 page"_http:/lammps.sandia.gov/prepost.html of the LAMMPS website
-describes a variety of 3rd party tools for this task. :l
+describes a variety of 3rd party tools for this task.  Furthermore,
+some LAMMPS internal commands to reconstruct topology, as well as
+the option to insert molecule templates instead of atoms.:l
 
 Force-field assignment: The conversion tools described in the previous
 bullet for CHARMM, AMBER, and Insight will also assign force field
 coefficients in the LAMMPS format, assuming you provide CHARMM, AMBER,
 or Accelerys force field files. :l
 
-Simulation analyses: If you want to perform analyses on-the-fly as
+Simulation analysis: If you want to perform analysis on-the-fly as
 your simulation runs, see the "compute"_compute.html and
 "fix"_fix.html doc pages, which list commands that can be used in a
 LAMMPS input script.  Also see the "Modify"_Modify.html doc page for
 info on how to add your own analysis code or algorithms to LAMMPS.
 For post-processing, LAMMPS output such as "dump file
 snapshots"_dump.html can be converted into formats used by other MD or
-post-processing codes.  Some post-processing tools packaged with
+post-processing codes.  To some degree, that conversion can be done
+directly inside of LAMMPS by interfacing to the VMD molfile plugins.
+The "rerun"_rerun.html command also allows to do some post-processing
+of existing trajectories, and through being able to read a variety
+of file formats, this can also be used for analysing trajectories
+from other MD codes.  Some post-processing tools packaged with
 LAMMPS will do these conversions.  Scripts provided in the
 tools/python directory can extract and massage data in dump files to
 make it easier to import into other programs.  See the
 "Tools"_Tools.html doc page for details on these various options. :l
 
 Visualization: LAMMPS can produce JPG or PNG snapshot images
-on-the-fly via its "dump image"_dump_image.html command.  For
+on-the-fly via its "dump image"_dump_image.html command and pass
+them to an external program FFmpeg to generate movies from them.  For
 high-quality, interactive visualization there are many excellent and
 free tools available.  See the "Other Codes
 page"_http://lammps.sandia.gov/viz.html page of the LAMMPS website for

From b6f0fe4c2d3910653dbafe5bb31d5d237786b9aa Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 11:47:33 -0500
Subject: [PATCH 149/273] more changes for correct and consistent spelling in
 the manual

---
 doc/src/Howto_barostat.txt    | 2 +-
 doc/src/Speed_kokkos.txt      | 8 ++++----
 doc/src/compute.txt           | 2 +-
 doc/src/compute_heat_flux.txt | 4 ++--
 doc/src/fix_ffl.txt           | 2 +-
 doc/src/fix_gle.txt           | 2 +-
 doc/src/fix_langevin.txt      | 2 +-
 doc/src/fix_nh.txt            | 2 +-
 doc/src/fix_phonon.txt        | 2 +-
 9 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/doc/src/Howto_barostat.txt b/doc/src/Howto_barostat.txt
index 3323334600..1fbfb14222 100644
--- a/doc/src/Howto_barostat.txt
+++ b/doc/src/Howto_barostat.txt
@@ -19,7 +19,7 @@ barostat attempts to equilibrate the system to the requested T and/or
 P.
 
 Barostatting in LAMMPS is performed by "fixes"_fix.html.  Two
-barosttating methods are currently available: Nose-Hoover (npt and
+barostatting methods are currently available: Nose-Hoover (npt and
 nph) and Berendsen:
 
 "fix npt"_fix_nh.html
diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt
index d1fb52a9f8..3373982e9f 100644
--- a/doc/src/Speed_kokkos.txt
+++ b/doc/src/Speed_kokkos.txt
@@ -13,7 +13,7 @@ Kokkos is a templated C++ library that provides abstractions to allow
 a single implementation of an application kernel (e.g. a pair style)
 to run efficiently on different kinds of hardware, such as GPUs, Intel
 Xeon Phis, or many-core CPUs. Kokkos maps the C++ kernel onto
-different backend languages such as CUDA, OpenMP, or Pthreads.  The
+different back end languages such as CUDA, OpenMP, or Pthreads.  The
 Kokkos library also provides data abstractions to adjust (at compile
 time) the memory layout of data structures like 2d and 3d arrays to
 optimize performance on different hardware. For more information on
@@ -106,9 +106,9 @@ modification to the input script is needed. Alternatively, one can run
 with the KOKKOS package by editing the input script as described
 below.
 
-NOTE: When using a single OpenMP thread, the Kokkos Serial backend (i.e. 
+NOTE: When using a single OpenMP thread, the Kokkos Serial back end (i.e. 
 Makefile.kokkos_mpi_only) will give better performance than the OpenMP 
-backend (i.e. Makefile.kokkos_omp) because some of the overhead to make 
+back end (i.e. Makefile.kokkos_omp) because some of the overhead to make 
 the code thread-safe is removed. 
 
 NOTE: The default for the "package kokkos"_package.html command is to
@@ -139,7 +139,7 @@ be enforced by compiling LAMMPS with the "-DLMP_KOKKOS_USE_ATOMICS"
 pre-processor flag. Most but not all Kokkos-enabled pair_styles support
 data duplication. Alternatively, full neighbor lists avoid the need for
 duplication or atomic operations but require more compute operations per
-atom.  When using the Kokkos Serial backend or the OpenMP backend with
+atom.  When using the Kokkos Serial back end or the OpenMP back end with
 a single thread, no duplication or atomic operations are used. For CUDA
 and half neighbor lists, the KOKKOS package always uses atomic operations.
 
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index 761d3fe29f..f31ca39ea5 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -309,7 +309,7 @@ compute"_Commands_compute.html doc page are followed by one or more of
 "temp/uef"_compute_temp_uef.html - 
 "ti"_compute_ti.html - thermodynamic integration free energy values
 "torque/chunk"_compute_torque_chunk.html - torque applied on each chunk
-"vacf"_compute_vacf.html - velocity-autocorrelation function of group of atoms
+"vacf"_compute_vacf.html - velocity auto-correlation function of group of atoms
 "vcm/chunk"_compute_vcm_chunk.html - velocity of center-of-mass for each chunk
 "voronoi/atom"_compute_voronoi_atom.html - Voronoi volume and neighbors for each atom
 "xrd"_compute_xrd.html - :ul
diff --git a/doc/src/compute_heat_flux.txt b/doc/src/compute_heat_flux.txt
index 81a2a3f517..edd46f7587 100644
--- a/doc/src/compute_heat_flux.txt
+++ b/doc/src/compute_heat_flux.txt
@@ -82,11 +82,11 @@ first term in the equation for J above.
 
 The heat flux can be output every so many timesteps (e.g. via the
 "thermo_style custom"_thermo_style.html command).  Then as a
-post-processing operation, an autocorrelation can be performed, its
+post-processing operation, an auto-correlation can be performed, its
 integral estimated, and the Green-Kubo formula above evaluated.
 
 The "fix ave/correlate"_fix_ave_correlate.html command can calculate
-the autocorrelation.  The trap() function in the
+the auto-correlation.  The trap() function in the
 "variable"_variable.html command can calculate the integral.
 
 An example LAMMPS input script for solid Ar is appended below.  The
diff --git a/doc/src/fix_ffl.txt b/doc/src/fix_ffl.txt
index ea33dc432f..a5d3f80a62 100644
--- a/doc/src/fix_ffl.txt
+++ b/doc/src/fix_ffl.txt
@@ -82,7 +82,7 @@ sense, a restarted simulation should produce the same behavior.
 Note however that you should use a different seed each time you
 restart, otherwise the same sequence of random numbers will be used
 each time, which might lead to stochastic synchronization and
-subtle artefacts in the sampling.
+subtle artifacts in the sampling.
 
 This fix can ramp its target temperature over multiple runs, using the
 {start} and {stop} keywords of the "run"_run.html command.  See the
diff --git a/doc/src/fix_gle.txt b/doc/src/fix_gle.txt
index 70a8e7f342..a8026256b0 100644
--- a/doc/src/fix_gle.txt
+++ b/doc/src/fix_gle.txt
@@ -104,7 +104,7 @@ sense, a restarted simulation should produce the same behavior.
 Note however that you should use a different seed each time you
 restart, otherwise the same sequence of random numbers will be used
 each time, which might lead to stochastic synchronization and
-subtle artefacts in the sampling.
+subtle artifacts in the sampling.
 
 This fix can ramp its target temperature over multiple runs, using the
 {start} and {stop} keywords of the "run"_run.html command.  See the
diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt
index e97c7c3c37..62325fdef3 100644
--- a/doc/src/fix_langevin.txt
+++ b/doc/src/fix_langevin.txt
@@ -255,7 +255,7 @@ bonds, configurational properties generated with dt = 2.5 fs and tdamp
 = 100 fs are indistinguishable from dt = 0.5 fs.  Because the velocity
 distribution systematically decreases with increasing timestep, the
 method should not be used to generate properties that depend on the
-velocity distribution, such as the velocity autocorrelation function
+velocity distribution, such as the velocity auto-correlation function
 (VACF). In this example, the velocity distribution at dt = 2.5fs
 generates an average temperature of 220 K, instead of 300 K.
 
diff --git a/doc/src/fix_nh.txt b/doc/src/fix_nh.txt
index 1ff80f5b7a..174547d775 100644
--- a/doc/src/fix_nh.txt
+++ b/doc/src/fix_nh.txt
@@ -362,7 +362,7 @@ The flip operation is described in more detail in the doc page for
 "fix deform"_fix_deform.html.  Both the barostat dynamics and the atom
 trajectories are unaffected by this operation.  However, if a tilt
 factor is incremented by a large amount (1.5 times the box length) on
-a single timestep, LAMMPS can not accomodate this event and will
+a single timestep, LAMMPS can not accommodate this event and will
 terminate the simulation with an error. This error typically indicates
 that there is something badly wrong with how the simulation was
 constructed, such as specifying values of {Pstart} that are too far
diff --git a/doc/src/fix_phonon.txt b/doc/src/fix_phonon.txt
index 0c449899df..ede3bb5cfd 100644
--- a/doc/src/fix_phonon.txt
+++ b/doc/src/fix_phonon.txt
@@ -127,7 +127,7 @@ which lattice point; the lattice indices start from 0. An auxiliary
 code, "latgen"_http://code.google.com/p/latgen, can be employed to
 generate the compatible map file for various crystals.
 
-In case one simulates an aperiodic system, where the whole simulation
+In case one simulates a nonperiodic system, where the whole simulation
 box is treated as a unit cell, one can set {map_file} as {GAMMA}, so
 that the mapping info will be generated internally and a file is not
 needed. In this case, the dynamical matrix at only the gamma-point

From 8a94a3255119736dae44d9a63fdddb2fd3709726 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 15:19:23 -0500
Subject: [PATCH 150/273] avoid duplicate label

---
 doc/src/Howto.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/Howto.txt b/doc/src/Howto.txt
index 730b492699..36f6be7194 100644
--- a/doc/src/Howto.txt
+++ b/doc/src/Howto.txt
@@ -45,7 +45,7 @@ General howto :h3
 <!-- RST
 
 .. toctree::
-   :name: general
+   :name: general_howto
    :maxdepth: 1
 
    Howto_restart

From 13ae678f39013edec55977c35968c0c8110e445c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 16:13:57 -0500
Subject: [PATCH 151/273] more manual spelling fixes

---
 doc/src/Errors_messages.txt     | 18 +++++++++---------
 doc/src/Howto_drude2.txt        |  2 +-
 doc/src/Howto_spherical.txt     |  2 +-
 doc/src/Intro_nonfeatures.txt   |  4 ++--
 doc/src/Packages_details.txt    |  2 +-
 doc/src/Speed_intel.txt         |  2 +-
 doc/src/compute_basal_atom.txt  |  2 +-
 doc/src/compute_rigid_local.txt |  2 +-
 doc/src/compute_ti.txt          |  2 +-
 doc/src/fix_drude_transform.txt |  2 +-
 doc/src/fix_phonon.txt          |  2 +-
 doc/src/fix_property_atom.txt   |  2 +-
 doc/src/fix_qmmm.txt            |  2 +-
 doc/src/fix_srd.txt             |  2 +-
 doc/src/message.txt             |  2 +-
 doc/src/pair_atm.txt            |  2 +-
 doc/src/pair_dipole.txt         |  2 +-
 doc/src/pair_lj_soft.txt        |  4 ++--
 18 files changed, 28 insertions(+), 28 deletions(-)

diff --git a/doc/src/Errors_messages.txt b/doc/src/Errors_messages.txt
index 695b949f7e..2844749c28 100644
--- a/doc/src/Errors_messages.txt
+++ b/doc/src/Errors_messages.txt
@@ -460,7 +460,7 @@ compute. :dd
 
 {Big particle in fix srd cannot be point particle} :dt
 
-Big particles must be extended spheriods or ellipsoids. :dd
+Big particles must be extended spheroids or ellipsoids. :dd
 
 {Bigint setting in lmptype.h is invalid} :dt
 
@@ -780,7 +780,7 @@ Cannot use tilt factors unless the simulation box is non-orthogonal. :dd
 
 Self-explanatory. :dd
 
-{Cannot change box z boundary to nonperiodic for a 2d simulation} :dt
+{Cannot change box z boundary to non-periodic for a 2d simulation} :dt
 
 Self-explanatory. :dd
 
@@ -1288,7 +1288,7 @@ are defined. :dd
 You cannot reset the timestep when a fix that keeps track of elapsed
 time is in place. :dd
 
-{Cannot run 2d simulation with nonperiodic Z dimension} :dt
+{Cannot run 2d simulation with non-periodic Z dimension} :dt
 
 Use the boundary command to make the z dimension periodic in order to
 run a 2d simulation. :dd
@@ -2116,29 +2116,29 @@ Self-explanatory. :dd
 Fix setforce cannot be used in this manner.  Use fix addforce
 instead. :dd
 
-{Cannot use nonperiodic boundares with fix ttm} :dt
+{Cannot use non-periodic boundares with fix ttm} :dt
 
 This fix requires a fully periodic simulation box. :dd
 
-{Cannot use nonperiodic boundaries with Ewald} :dt
+{Cannot use non-periodic boundaries with Ewald} :dt
 
 For kspace style ewald, all 3 dimensions must have periodic boundaries
 unless you use the kspace_modify command to define a 2d slab with a
 non-periodic z dimension. :dd
 
-{Cannot use nonperiodic boundaries with EwaldDisp} :dt
+{Cannot use non-periodic boundaries with EwaldDisp} :dt
 
 For kspace style ewald/disp, all 3 dimensions must have periodic
 boundaries unless you use the kspace_modify command to define a 2d
 slab with a non-periodic z dimension. :dd
 
-{Cannot use nonperiodic boundaries with PPPM} :dt
+{Cannot use non-periodic boundaries with PPPM} :dt
 
 For kspace style pppm, all 3 dimensions must have periodic boundaries
 unless you use the kspace_modify command to define a 2d slab with a
 non-periodic z dimension. :dd
 
-{Cannot use nonperiodic boundaries with PPPMDisp} :dt
+{Cannot use non-periodic boundaries with PPPMDisp} :dt
 
 For kspace style pppm/disp, all 3 dimensions must have periodic
 boundaries unless you use the kspace_modify command to define a 2d
@@ -8014,7 +8014,7 @@ Self-explanatory. :dd
 
 {Package command after simulation box is defined} :dt
 
-The package command cannot be used afer a read_data, read_restart, or
+The package command cannot be used after a read_data, read_restart, or
 create_box command. :dd
 
 {Package gpu command without GPU package installed} :dt
diff --git a/doc/src/Howto_drude2.txt b/doc/src/Howto_drude2.txt
index a342d4a87d..0e72273723 100644
--- a/doc/src/Howto_drude2.txt
+++ b/doc/src/Howto_drude2.txt
@@ -396,7 +396,7 @@ global pressure and thus a global temperature whatever the fix group.
 We do want the pressure to correspond to the whole system, but we want
 the temperature to correspond to the fix group only.  We must then use
 the {fix_modify} command for this.  In the end, the block of
-instructions for thermostating and barostating will look like
+instructions for thermostating and barostatting will look like
 
 compute TATOMS ATOMS temp
 fix DIRECT all drude/transform/direct
diff --git a/doc/src/Howto_spherical.txt b/doc/src/Howto_spherical.txt
index 4dfe4e2f6c..d4233e7b81 100644
--- a/doc/src/Howto_spherical.txt
+++ b/doc/src/Howto_spherical.txt
@@ -35,7 +35,7 @@ There are several "atom styles"_atom_style.html that allow for
 definition of finite-size particles: sphere, dipole, ellipsoid, line,
 tri, peri, and body.
 
-The sphere style defines particles that are spheriods and each
+The sphere style defines particles that are spheroids and each
 particle can have a unique diameter and mass (or density).  These
 particles store an angular velocity (omega) and can be acted upon by
 torque.  The "set" command can be used to modify the diameter and mass
diff --git a/doc/src/Intro_nonfeatures.txt b/doc/src/Intro_nonfeatures.txt
index 316e661475..580039f91b 100644
--- a/doc/src/Intro_nonfeatures.txt
+++ b/doc/src/Intro_nonfeatures.txt
@@ -33,7 +33,7 @@ the library interface is provided.  Thus, GUI interfaces can be
 written in Python (or C or C++ if desired) that run LAMMPS and
 visualize or plot its output.  Examples of this are provided in the
 python directory and described on the "Python"_Python_head.html doc
-page.  Also, there are several external wrappers or GUI frontends.:ulb,l
+page.  Also, there are several external wrappers or GUI front ends.:ulb,l
 
 Builder: Several pre-processing tools are packaged with LAMMPS.  Some
 of them convert input files in formats produced by other MD codes such
@@ -64,7 +64,7 @@ post-processing codes.  To some degree, that conversion can be done
 directly inside of LAMMPS by interfacing to the VMD molfile plugins.
 The "rerun"_rerun.html command also allows to do some post-processing
 of existing trajectories, and through being able to read a variety
-of file formats, this can also be used for analysing trajectories
+of file formats, this can also be used for analyzing trajectories
 from other MD codes.  Some post-processing tools packaged with
 LAMMPS will do these conversions.  Scripts provided in the
 tools/python directory can extract and massage data in dump files to
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 5f50e80271..55c7dec828 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -1207,7 +1207,7 @@ USER-PLUMED package :link(PKG-USER-PLUMED),h4
 [Contents:]
 
 The fix plumed command allows you to use the PLUMED free energy plugin
-for molecular dynamics to analyse and bias your LAMMPS trajectory on
+for molecular dynamics to analyze and bias your LAMMPS trajectory on
 the fly.  The PLUMED library is called from within the LAMMPS input
 script by using the "fix plumed _fix_plumed.html command.
 
diff --git a/doc/src/Speed_intel.txt b/doc/src/Speed_intel.txt
index d35a311f46..6f9f3dfcaf 100644
--- a/doc/src/Speed_intel.txt
+++ b/doc/src/Speed_intel.txt
@@ -510,7 +510,7 @@ supported.
 
 [References:]
 
-Brown, W.M., Carrillo, J.-M.Y., Mishra, B., Gavhane, N., Thakker, F.M., De Kraker, A.R., Yamada, M., Ang, J.A., Plimpton, S.J., "Optimizing Classical Molecular Dynamics in LAMMPS," in Intel Xeon Phi Processor High Performance Programming: Knights Landing Edition, J. Jeffers, J. Reinders, A. Sodani, Eds. Morgan Kaufmann. :ulb,l
+Brown, W.M., Carrillo, J.-M.Y., Mishra, B., Gavhane, N., Thakkar, F.M., De Kraker, A.R., Yamada, M., Ang, J.A., Plimpton, S.J., "Optimizing Classical Molecular Dynamics in LAMMPS," in Intel Xeon Phi Processor High Performance Programming: Knights Landing Edition, J. Jeffers, J. Reinders, A. Sodani, Eds. Morgan Kaufmann. :ulb,l
 
 Brown, W. M., Semin, A., Hebenstreit, M., Khvostov, S., Raman, K., Plimpton, S.J. "Increasing Molecular Dynamics Simulation Rates with an 8-Fold Increase in Electrical Power Efficiency."_http://dl.acm.org/citation.cfm?id=3014915 2016 High Performance Computing, Networking, Storage and Analysis, SC16: International Conference (pp. 82-95). :l
 
diff --git a/doc/src/compute_basal_atom.txt b/doc/src/compute_basal_atom.txt
index 5c28b8e378..c74bd4342e 100644
--- a/doc/src/compute_basal_atom.txt
+++ b/doc/src/compute_basal_atom.txt
@@ -28,7 +28,7 @@ The results enable efficient identification and characterization of
 twins and grains in hexagonal close-packed structures.
 
 The output of the compute is thus the 3 components of a unit vector
-associdate with each atom.  The components are set to 0.0 for
+associated with each atom.  The components are set to 0.0 for
 atoms not in the group.
 
 Details of the calculation are given in "(Barrett)"_#Barrett.
diff --git a/doc/src/compute_rigid_local.txt b/doc/src/compute_rigid_local.txt
index 67c6209bdf..294c70cda2 100644
--- a/doc/src/compute_rigid_local.txt
+++ b/doc/src/compute_rigid_local.txt
@@ -106,7 +106,7 @@ There are two options for outputting the coordinates of the center of
 mass (COM) of the body.  The {x}, {y}, {z} attributes write the COM
 "unscaled", in the appropriate distance "units"_units.html (Angstroms,
 sigma, etc).  Use {xu}, {yu}, {zu} if you want the COM "unwrapped" by
-the image flags for each atobody.  Unwrapped means that if the body
+the image flags for each body.  Unwrapped means that if the body
 COM has passed thru a periodic boundary one or more times, the value
 is generated what the COM coordinate would be if it had not been
 wrapped back into the periodic box.
diff --git a/doc/src/compute_ti.txt b/doc/src/compute_ti.txt
index 9057cab476..0dec297183 100644
--- a/doc/src/compute_ti.txt
+++ b/doc/src/compute_ti.txt
@@ -45,7 +45,7 @@ described in "Eike"_#Eike.
 
 Typically this compute will be used in conjunction with the "fix
 adapt"_fix_adapt.html command which can perform alchemical
-transformations by adusting the strength of an interaction potential
+transformations by adjusting the strength of an interaction potential
 as a simulation runs, as defined by one or more
 "pair_style"_pair_style.html or "kspace_style"_kspace_style.html
 commands.  This scaling is done via a prefactor on the energy, forces,
diff --git a/doc/src/fix_drude_transform.txt b/doc/src/fix_drude_transform.txt
index 8864cc4eb6..2135c0bd4f 100644
--- a/doc/src/fix_drude_transform.txt
+++ b/doc/src/fix_drude_transform.txt
@@ -132,7 +132,7 @@ In this example, {gCORES} is the group of the atom cores and {gDRUDES}
 is the group of the Drude particles. The centers of mass of the Drude
 oscillators will be thermostated at 298.0 and the internal degrees of
 freedom will be thermostated at 5.0. The whole system will be
-barostated at 1.0.
+barostatted at 1.0.
 
 In order to avoid the flying ice cube problem (irreversible transfer
 of linear momentum to the center of mass of the system), you may need
diff --git a/doc/src/fix_phonon.txt b/doc/src/fix_phonon.txt
index ede3bb5cfd..7d8f4d3379 100644
--- a/doc/src/fix_phonon.txt
+++ b/doc/src/fix_phonon.txt
@@ -127,7 +127,7 @@ which lattice point; the lattice indices start from 0. An auxiliary
 code, "latgen"_http://code.google.com/p/latgen, can be employed to
 generate the compatible map file for various crystals.
 
-In case one simulates a nonperiodic system, where the whole simulation
+In case one simulates a non-periodic system, where the whole simulation
 box is treated as a unit cell, one can set {map_file} as {GAMMA}, so
 that the mapping info will be generated internally and a file is not
 needed. In this case, the dynamical matrix at only the gamma-point
diff --git a/doc/src/fix_property_atom.txt b/doc/src/fix_property_atom.txt
index 19e3b0ca40..0751a272ac 100644
--- a/doc/src/fix_property_atom.txt
+++ b/doc/src/fix_property_atom.txt
@@ -170,7 +170,7 @@ assigned a molecule ID of 4.
 
 Note that "atomfile-style variables"_variable.html can also be used in
 place of atom-style variables, which means in this case that the
-molecule IDs could be read-in from a separate file and assinged by the
+molecule IDs could be read-in from a separate file and assigned by the
 "set"_set.html command.  This allows you to initialize new per-atom
 properties in a completely general fashion.
 
diff --git a/doc/src/fix_qmmm.txt b/doc/src/fix_qmmm.txt
index 2dbf935f93..4163275056 100644
--- a/doc/src/fix_qmmm.txt
+++ b/doc/src/fix_qmmm.txt
@@ -58,7 +58,7 @@ library provided with LAMMPS.  See the "Build
 package"_Build_package.html doc page for more info.
 
 The fix is only functional when LAMMPS is built as a library and
-linked with a compatible QM program and a QM/MM frontend into a QM/MM
+linked with a compatible QM program and a QM/MM front end into a QM/MM
 executable.  See the lib/qmmm/README file for details.
 
 [Related commands:] none
diff --git a/doc/src/fix_srd.txt b/doc/src/fix_srd.txt
index 557eee1cfc..1cc8dad178 100644
--- a/doc/src/fix_srd.txt
+++ b/doc/src/fix_srd.txt
@@ -61,7 +61,7 @@ in "(Hecht)"_#Hecht.  The key idea behind using SRD particles as a
 cheap coarse-grained solvent is that SRD particles do not interact
 with each other, but only with the solute particles, which in LAMMPS
 can be spheroids, ellipsoids, or line segments, or triangles, or rigid
-bodies containing multiple spheriods or ellipsoids or line segments
+bodies containing multiple spheroids or ellipsoids or line segments
 or triangles.  The collision and rotation properties of the model
 imbue the SRD particles with fluid-like properties, including an
 effective viscosity.  Thus simulations with large solute particles can
diff --git a/doc/src/message.txt b/doc/src/message.txt
index 2b6a894e70..d258cfbd08 100644
--- a/doc/src/message.txt
+++ b/doc/src/message.txt
@@ -93,7 +93,7 @@ localhost:5555        # client and server running on same machine
 192.168.1.1:5555      # server is 192.168.1.1
 deptbox.uni.edu:5555  # server is deptbox.uni.edu :pre
 
-The server specifes "*:5555" where "*" represents all available
+The server specifies "*:5555" where "*" represents all available
 interfaces on the server's machine, and the port ID must match
 what the client specifies.
 
diff --git a/doc/src/pair_atm.txt b/doc/src/pair_atm.txt
index 63a450c51a..adbc6b6f3b 100644
--- a/doc/src/pair_atm.txt
+++ b/doc/src/pair_atm.txt
@@ -118,7 +118,7 @@ pair_coeff 3 3 3 nu10 :pre
 By default the nu value for all triplets is set to 0.0.  Thus it is
 not required to provide pair_coeff commands that enumerate triplet
 interactions for all K types.  If some I,J,K combination is not
-speficied, then there will be no 3-body ATM interactions for that
+specified, then there will be no 3-body ATM interactions for that
 combination and all its permutations.  However, as with all pair
 styles, it is required to specify a pair_coeff command for all I,J
 combinations, else an error will result.
diff --git a/doc/src/pair_dipole.txt b/doc/src/pair_dipole.txt
index bdf37983b6..b3ce55535e 100644
--- a/doc/src/pair_dipole.txt
+++ b/doc/src/pair_dipole.txt
@@ -82,7 +82,7 @@ styles.
 
 Style {lj/sf/dipole/sf} computes "shifted-force" interactions between
 pairs of particles that each have a charge and/or a point dipole
-moment. In general, a shifted-force potential is a (sligthly) modified
+moment. In general, a shifted-force potential is a (slightly) modified
 potential containing extra terms that make both the energy and its
 derivative go to zero at the cutoff distance; this removes
 (cutoff-related) problems in energy conservation and any numerical
diff --git a/doc/src/pair_lj_soft.txt b/doc/src/pair_lj_soft.txt
index 9bcc83fa66..967f88205f 100644
--- a/doc/src/pair_lj_soft.txt
+++ b/doc/src/pair_lj_soft.txt
@@ -189,7 +189,7 @@ occur.  These substyles are suitable to represent charges embedded in
 the Lennard-Jones radius of another site (for example hydrogen atoms
 in several water models).
 
-NOTES: When using the core-softed Coulomb potentials with long-range
+NOTES: When using the soft-core Coulomb potentials with long-range
 solvers ({coul/long/soft}, {lj/cut/coul/long/soft}, etc.)  in a free
 energy calculation in which sites holding electrostatic charges are
 being created or annihilated (using "fix adapt/fep"_fix_adapt_fep.html
@@ -197,7 +197,7 @@ and "compute fep"_compute_fep.html) it is important to adapt both the
 lambda activation parameter (from 0 to 1, or the reverse) and the
 value of the charge (from 0 to its final value, or the reverse). This
 ensures that long-range electrostatic terms (kspace) are correct. It
-is not necessary to use core-softed Coulomb potentials if the van der
+is not necessary to use soft-core Coulomb potentials if the van der
 Waals site is present during the free-energy route, thus avoiding
 overlap of the charges. Examples are provided in the LAMMPS source
 directory tree, under examples/USER/fep.

From b34dac41c231c2467824fbd6d8bc2631e1d4bed9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 16:15:24 -0500
Subject: [PATCH 152/273] port documentation spelling fixes to comments or
 strings in source code.

---
 src/KOKKOS/pppm_kokkos.cpp            | 4 ++--
 src/KOKKOS/pppm_kokkos.h              | 2 +-
 src/KSPACE/ewald.cpp                  | 2 +-
 src/KSPACE/ewald.h                    | 2 +-
 src/KSPACE/ewald_disp.cpp             | 2 +-
 src/KSPACE/ewald_disp.h               | 2 +-
 src/KSPACE/msm.cpp                    | 6 +++---
 src/KSPACE/msm_cg.cpp                 | 2 +-
 src/KSPACE/pppm.cpp                   | 4 ++--
 src/KSPACE/pppm.h                     | 2 +-
 src/KSPACE/pppm_disp.cpp              | 4 ++--
 src/KSPACE/pppm_disp.h                | 2 +-
 src/MISC/fix_ttm.cpp                  | 2 +-
 src/MISC/fix_ttm.h                    | 2 +-
 src/SRD/fix_srd.h                     | 2 +-
 src/USER-MISC/fix_ttm_mod.cpp         | 2 +-
 src/USER-NETCDF/dump_netcdf.cpp       | 2 +-
 src/USER-NETCDF/dump_netcdf_mpiio.cpp | 2 +-
 src/USER-OMP/msm_cg_omp.cpp           | 2 +-
 src/change_box.cpp                    | 2 +-
 src/change_box.h                      | 2 +-
 src/create_box.h                      | 2 +-
 src/input.h                           | 2 +-
 src/pair.cpp                          | 2 +-
 src/pair.h                            | 2 +-
 src/read_data.h                       | 2 +-
 src/read_restart.cpp                  | 2 +-
 src/read_restart.h                    | 2 +-
 28 files changed, 33 insertions(+), 33 deletions(-)

diff --git a/src/KOKKOS/pppm_kokkos.cpp b/src/KOKKOS/pppm_kokkos.cpp
index 5ec454f783..7a02e973b1 100644
--- a/src/KOKKOS/pppm_kokkos.cpp
+++ b/src/KOKKOS/pppm_kokkos.cpp
@@ -202,7 +202,7 @@ void PPPMKokkos<DeviceType>::init()
   if (!atomKK->q_flag) error->all(FLERR,"Kspace style requires atomKK attribute q");
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPM");
   if (slabflag) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
@@ -371,7 +371,7 @@ void PPPMKokkos<DeviceType>::setup()
   // perform some checks to avoid illegal boundaries with read_data
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPM");
   if (slabflag) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
diff --git a/src/KOKKOS/pppm_kokkos.h b/src/KOKKOS/pppm_kokkos.h
index db5b8f7ae6..21896eb714 100644
--- a/src/KOKKOS/pppm_kokkos.h
+++ b/src/KOKKOS/pppm_kokkos.h
@@ -454,7 +454,7 @@ E: Kspace style requires atomKK attribute q
 
 UNDOCUMENTED
 
-E: Cannot use nonperiodic boundaries with PPPM
+E: Cannot use non-periodic boundaries with PPPM
 
 For kspace style pppm, all 3 dimensions must have periodic boundaries
 unless you use the kspace_modify command to define a 2d slab with a
diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index c9c10ab738..a24e3e123d 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -105,7 +105,7 @@ void Ewald::init()
   if (!atom->q_flag) error->all(FLERR,"Kspace style requires atom attribute q");
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with Ewald");
+    error->all(FLERR,"Cannot use non-periodic boundaries with Ewald");
   if (slabflag) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h
index 7d520b3ab0..ef7ff05675 100644
--- a/src/KSPACE/ewald.h
+++ b/src/KSPACE/ewald.h
@@ -99,7 +99,7 @@ E: Kspace style requires atom attribute q
 
 The atom style defined does not have these attributes.
 
-E: Cannot use nonperiodic boundaries with Ewald
+E: Cannot use non-periodic boundaries with Ewald
 
 For kspace style ewald, all 3 dimensions must have periodic boundaries
 unless you use the kspace_modify command to define a 2d slab with a
diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp
index 0ff8acff6e..4cbdf7b9cb 100644
--- a/src/KSPACE/ewald_disp.cpp
+++ b/src/KSPACE/ewald_disp.cpp
@@ -100,7 +100,7 @@ void EwaldDisp::init()
   if (domain->dimension == 2)
     error->all(FLERR,"Cannot use EwaldDisp with 2d simulation");
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with EwaldDisp");
+    error->all(FLERR,"Cannot use non-periodic boundaries with EwaldDisp");
   if (slabflag == 1) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h
index a8dfb5bb20..77b03a1ff7 100644
--- a/src/KSPACE/ewald_disp.h
+++ b/src/KSPACE/ewald_disp.h
@@ -108,7 +108,7 @@ E: Cannot use EwaldDisp with 2d simulation
 
 This is a current restriction of this command.
 
-E: Cannot use nonperiodic boundaries with EwaldDisp
+E: Cannot use non-periodic boundaries with EwaldDisp
 
 For kspace style ewald/disp, all 3 dimensions must have periodic
 boundaries unless you use the kspace_modify command to define a 2d
diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp
index ed4abcf077..d8964ffa67 100644
--- a/src/KSPACE/msm.cpp
+++ b/src/KSPACE/msm.cpp
@@ -533,7 +533,7 @@ void MSM::compute(int eflag, int vflag)
     restriction(n);
   }
 
-  // compute direct interation for top grid level for nonperiodic
+  // compute direct interation for top grid level for non-periodic
   //   and for second from top grid level for periodic
 
   if (active_flag[levels-1]) {
@@ -1120,7 +1120,7 @@ void MSM::set_grid_global()
   if (nx_msm[0] >= OFFSET || ny_msm[0] >= OFFSET || nz_msm[0] >= OFFSET)
     error->all(FLERR,"MSM grid is too large");
 
-  // compute number of extra grid points needed for nonperiodic boundary conditions
+  // compute number of extra grid points needed for non-periodic boundary conditions
 
   if (domain->nonperiodic) {
     alpha[0] = -(order/2 - 1);
@@ -1254,7 +1254,7 @@ void MSM::set_grid_local()
     nzlo_out[n] = nlo - order;
     nzhi_out[n] = nhi + MAX(order,nzhi_direct);
 
-    // add extra grid points for nonperiodic boundary conditions
+    // add extra grid points for non-periodic boundary conditions
 
     if (domain->nonperiodic) {
 
diff --git a/src/KSPACE/msm_cg.cpp b/src/KSPACE/msm_cg.cpp
index 1139ce4957..55435e5a6e 100644
--- a/src/KSPACE/msm_cg.cpp
+++ b/src/KSPACE/msm_cg.cpp
@@ -199,7 +199,7 @@ void MSMCG::compute(int eflag, int vflag)
   }
 
 
-  // compute direct interation for top grid level for nonperiodic
+  // compute direct interation for top grid level for non-periodic
   //   and for second from top grid level for periodic
 
   if (active_flag[levels-1]) {
diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 57e030f255..8fd74d00dc 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -214,7 +214,7 @@ void PPPM::init()
   if (!atom->q_flag) error->all(FLERR,"Kspace style requires atom attribute q");
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPM");
   if (slabflag) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
@@ -411,7 +411,7 @@ void PPPM::setup()
   // perform some checks to avoid illegal boundaries with read_data
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPM");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPM");
   if (slabflag) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h
index 20ba7c3ff1..c9190d9fca 100644
--- a/src/KSPACE/pppm.h
+++ b/src/KSPACE/pppm.h
@@ -235,7 +235,7 @@ E: Kspace style requires atom attribute q
 
 The atom style defined does not have these attributes.
 
-E: Cannot use nonperiodic boundaries with PPPM
+E: Cannot use non-periodic boundaries with PPPM
 
 For kspace style pppm, all 3 dimensions must have periodic boundaries
 unless you use the kspace_modify command to define a 2d slab with a
diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp
index 9fcfb7d769..687ea0b3f9 100644
--- a/src/KSPACE/pppm_disp.cpp
+++ b/src/KSPACE/pppm_disp.cpp
@@ -269,7 +269,7 @@ void PPPMDisp::init()
                         "comm_style brick");
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDisp");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPMDisp");
   if (slabflag == 1) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
@@ -657,7 +657,7 @@ void PPPMDisp::setup()
 {
 
   if (slabflag == 0 && domain->nonperiodic > 0)
-    error->all(FLERR,"Cannot use nonperiodic boundaries with PPPMDisp");
+    error->all(FLERR,"Cannot use non-periodic boundaries with PPPMDisp");
   if (slabflag == 1) {
     if (domain->xperiodic != 1 || domain->yperiodic != 1 ||
         domain->boundary[2][0] != 1 || domain->boundary[2][1] != 1)
diff --git a/src/KSPACE/pppm_disp.h b/src/KSPACE/pppm_disp.h
index 8a3fb700e6..786a865978 100644
--- a/src/KSPACE/pppm_disp.h
+++ b/src/KSPACE/pppm_disp.h
@@ -390,7 +390,7 @@ E: PPPMDisp can only currently be used with comm_style brick
 
 This is a current restriction in LAMMPS.
 
-E: Cannot use nonperiodic boundaries with PPPMDisp
+E: Cannot use non-periodic boundaries with PPPMDisp
 
 For kspace style pppm/disp, all 3 dimensions must have periodic
 boundaries unless you use the kspace_modify command to define a 2d
diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp
index 4e15581377..170103b0d0 100644
--- a/src/MISC/fix_ttm.cpp
+++ b/src/MISC/fix_ttm.cpp
@@ -199,7 +199,7 @@ void FixTTM::init()
   if (domain->dimension == 2)
     error->all(FLERR,"Cannot use fix ttm with 2d simulation");
   if (domain->nonperiodic != 0)
-    error->all(FLERR,"Cannot use nonperiodic boundares with fix ttm");
+    error->all(FLERR,"Cannot use non-periodic boundares with fix ttm");
   if (domain->triclinic)
     error->all(FLERR,"Cannot use fix ttm with triclinic box");
 
diff --git a/src/MISC/fix_ttm.h b/src/MISC/fix_ttm.h
index 57d18bcb3a..9fbae2a418 100644
--- a/src/MISC/fix_ttm.h
+++ b/src/MISC/fix_ttm.h
@@ -130,7 +130,7 @@ E: Cannot use fix ttm with 2d simulation
 
 This is a current restriction of this fix due to the grid it creates.
 
-E: Cannot use nonperiodic boundares with fix ttm
+E: Cannot use non-periodic boundares with fix ttm
 
 This fix requires a fully periodic simulation box.
 
diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h
index e14652e526..b86b3d9f9b 100644
--- a/src/SRD/fix_srd.h
+++ b/src/SRD/fix_srd.h
@@ -373,7 +373,7 @@ This may indicate a problem with your simulation parameters.
 
 E: Big particle in fix srd cannot be point particle
 
-Big particles must be extended spheriods or ellipsoids.
+Big particles must be extended spheroids or ellipsoids.
 
 E: Cannot use lines with fix srd unless overlap is set
 
diff --git a/src/USER-MISC/fix_ttm_mod.cpp b/src/USER-MISC/fix_ttm_mod.cpp
index a423b510e5..423ec788c5 100644
--- a/src/USER-MISC/fix_ttm_mod.cpp
+++ b/src/USER-MISC/fix_ttm_mod.cpp
@@ -325,7 +325,7 @@ void FixTTMMod::init()
   if (domain->dimension == 2)
     error->all(FLERR,"Cannot use fix ttm/mod with 2d simulation");
   if (domain->nonperiodic != 0)
-    error->all(FLERR,"Cannot use nonperiodic boundares with fix ttm/mod");
+    error->all(FLERR,"Cannot use non-periodic boundares with fix ttm/mod");
   if (domain->triclinic)
     error->all(FLERR,"Cannot use fix ttm/mod with triclinic box");
   // set force prefactors
diff --git a/src/USER-NETCDF/dump_netcdf.cpp b/src/USER-NETCDF/dump_netcdf.cpp
index c08bc89d04..e4c0115793 100644
--- a/src/USER-NETCDF/dump_netcdf.cpp
+++ b/src/USER-NETCDF/dump_netcdf.cpp
@@ -785,7 +785,7 @@ void DumpNetCDF::write_header(bigint n)
       cell_angles[2] = acos(cosgamma)*180.0/MY_PI;
     }
 
-    // Recent AMBER conventions say that nonperiodic boundaries should have
+    // Recent AMBER conventions say that non-periodic boundaries should have
     // 'cell_lengths' set to zero.
     for (int dim = 0; dim < 3; dim++) {
         if (!domain->periodicity[dim])
diff --git a/src/USER-NETCDF/dump_netcdf_mpiio.cpp b/src/USER-NETCDF/dump_netcdf_mpiio.cpp
index 0a292d4721..733fae10f3 100644
--- a/src/USER-NETCDF/dump_netcdf_mpiio.cpp
+++ b/src/USER-NETCDF/dump_netcdf_mpiio.cpp
@@ -803,7 +803,7 @@ void DumpNetCDFMPIIO::write_time_and_cell()
     cell_angles[2] = acos(cosgamma)*180.0/MY_PI;
   }
 
-  // Recent AMBER conventions say that nonperiodic boundaries should have
+  // Recent AMBER conventions say that non-periodic boundaries should have
   // 'cell_lengths' set to zero.
   for (int dim = 0; dim < 3; dim++) {
     if (!domain->periodicity[dim])
diff --git a/src/USER-OMP/msm_cg_omp.cpp b/src/USER-OMP/msm_cg_omp.cpp
index eaff373742..dee9fd85b6 100644
--- a/src/USER-OMP/msm_cg_omp.cpp
+++ b/src/USER-OMP/msm_cg_omp.cpp
@@ -199,7 +199,7 @@ void MSMCGOMP::compute(int eflag, int vflag)
   }
 
 
-  // compute direct interation for top grid level for nonperiodic
+  // compute direct interation for top grid level for non-periodic
   //   and for second from top grid level for periodic
 
   if (active_flag[levels-1]) {
diff --git a/src/change_box.cpp b/src/change_box.cpp
index 93dff387c4..b7d3cb245f 100644
--- a/src/change_box.cpp
+++ b/src/change_box.cpp
@@ -272,7 +272,7 @@ void ChangeBox::command(int narg, char **arg)
       if (domain->dimension == 2 && domain->zperiodic == 0)
         error->all(FLERR,
                    "Cannot change box z boundary to "
-                   "nonperiodic for a 2d simulation");
+                   "non-periodic for a 2d simulation");
       domain->set_initial_box();
       domain->set_global_box();
       domain->set_local_box();
diff --git a/src/change_box.h b/src/change_box.h
index d9152b7fb0..d8a057f9a6 100644
--- a/src/change_box.h
+++ b/src/change_box.h
@@ -97,7 +97,7 @@ E: Cannot change box tilt factors for orthogonal box
 
 Cannot use tilt factors unless the simulation box is non-orthogonal.
 
-E: Cannot change box z boundary to nonperiodic for a 2d simulation
+E: Cannot change box z boundary to non-periodic for a 2d simulation
 
 Self-explanatory.
 
diff --git a/src/create_box.h b/src/create_box.h
index 2d94b80d82..740769b4de 100644
--- a/src/create_box.h
+++ b/src/create_box.h
@@ -47,7 +47,7 @@ E: Cannot create_box after simulation box is defined
 
 A simulation box can only be defined once.
 
-E: Cannot run 2d simulation with nonperiodic Z dimension
+E: Cannot run 2d simulation with non-periodic Z dimension
 
 Use the boundary command to make the z dimension periodic in order to
 run a 2d simulation.
diff --git a/src/input.h b/src/input.h
index be320a41ec..080accc1ce 100644
--- a/src/input.h
+++ b/src/input.h
@@ -337,7 +337,7 @@ after a read_data, read_restart, or create_box command.
 
 E: Package command after simulation box is defined
 
-The package command cannot be used afer a read_data, read_restart, or
+The package command cannot be used after a read_data, read_restart, or
 create_box command.
 
 E: Package gpu command without GPU package installed
diff --git a/src/pair.cpp b/src/pair.cpp
index 18d561bdb5..cc066713c9 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -195,7 +195,7 @@ void Pair::init()
   if (tail_flag && domain->dimension == 2)
     error->all(FLERR,"Cannot use pair tail corrections with 2d simulations");
   if (tail_flag && domain->nonperiodic && comm->me == 0)
-    error->warning(FLERR,"Using pair tail corrections with nonperiodic system");
+    error->warning(FLERR,"Using pair tail corrections with non-periodic system");
   if (!compute_flag && tail_flag && comm->me == 0)
     error->warning(FLERR,"Using pair tail corrections with "
                    "pair_modify compute no");
diff --git a/src/pair.h b/src/pair.h
index c1a9e6eef8..27b6d41eef 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -272,7 +272,7 @@ E: Cannot use pair tail corrections with 2d simulations
 
 The correction factors are only currently defined for 3d systems.
 
-W: Using pair tail corrections with nonperiodic system
+W: Using pair tail corrections with non-periodic system
 
 This is probably a bogus thing to do, since tail corrections are
 computed by integrating the density of a periodic system out to
diff --git a/src/read_data.h b/src/read_data.h
index 9dce8cfcf5..7d011c710a 100644
--- a/src/read_data.h
+++ b/src/read_data.h
@@ -160,7 +160,7 @@ E: Fix ID for read_data does not exist
 
 Self-explanatory.
 
-E: Cannot run 2d simulation with nonperiodic Z dimension
+E: Cannot run 2d simulation with non-periodic Z dimension
 
 Use the boundary command to make the z dimension periodic in order to
 run a 2d simulation.
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 6b9ea8d773..82028d8316 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -715,7 +715,7 @@ void ReadRestart::header(int incompatible)
       domain->dimension = dimension;
       if (domain->dimension == 2 && domain->zperiodic == 0)
         error->all(FLERR,
-                   "Cannot run 2d simulation with nonperiodic Z dimension");
+                   "Cannot run 2d simulation with non-periodic Z dimension");
 
     // read nprocs from restart file, warn if different
 
diff --git a/src/read_restart.h b/src/read_restart.h
index 8d2547fb10..4cee62a1cf 100644
--- a/src/read_restart.h
+++ b/src/read_restart.h
@@ -141,7 +141,7 @@ E: Bigint setting in lmptype.h is not compatible
 Format of bigint stored in restart file is not consistent with LAMMPS
 version you are running.  See the settings in src/lmptype.h
 
-E: Cannot run 2d simulation with nonperiodic Z dimension
+E: Cannot run 2d simulation with non-periodic Z dimension
 
 Use the boundary command to make the z dimension periodic in order to
 run a 2d simulation.

From 9b401b6ed0ab3e57763f1884ff461f0aea6f0994 Mon Sep 17 00:00:00 2001
From: Diego Ugarte <diego.ugarte@outlook.com>
Date: Tue, 20 Nov 2018 06:22:32 +0900
Subject: [PATCH 153/273] fix topology parsing

---
 tools/ch2lmp/charmm2lammps.pl | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/tools/ch2lmp/charmm2lammps.pl b/tools/ch2lmp/charmm2lammps.pl
index 0693c0a0ff..df2a88fd30 100755
--- a/tools/ch2lmp/charmm2lammps.pl
+++ b/tools/ch2lmp/charmm2lammps.pl
@@ -794,9 +794,11 @@
         $ids{$tmp[1]}           = $tmp[2];
         $masses{$tmp[1]}        = $tmp[3];
         $max_id                 = $tmp[1] if ($max_id<$tmp[1]);
+      } elsif ($read&&($tmp[0] eq "ATOM")) {
+        # $names{$tmp[1]} = $tmp[4] if ($read&&($tmp[0] eq "MASS"));
+        #last if ($read&&!scalar(@tmp));                   # quit reading
+        last;
       }
-      # $names{$tmp[1]} = $tmp[4] if ($read&&($tmp[0] eq "MASS"));
-      last if ($read&&!scalar(@tmp));                   # quit reading
     }
     AddMass(HT, 1.00800);
     AddMass(OT, 15.99940);

From 6f7b052e24c819a1a3cdbfb96b84ea28ead9ad64 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 16:38:25 -0500
Subject: [PATCH 154/273] update comments and remove commented code

---
 tools/ch2lmp/charmm2lammps.pl | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/tools/ch2lmp/charmm2lammps.pl b/tools/ch2lmp/charmm2lammps.pl
index df2a88fd30..bda9ace2bc 100755
--- a/tools/ch2lmp/charmm2lammps.pl
+++ b/tools/ch2lmp/charmm2lammps.pl
@@ -795,8 +795,7 @@
         $masses{$tmp[1]}        = $tmp[3];
         $max_id                 = $tmp[1] if ($max_id<$tmp[1]);
       } elsif ($read&&($tmp[0] eq "ATOM")) {
-        # $names{$tmp[1]} = $tmp[4] if ($read&&($tmp[0] eq "MASS"));
-        #last if ($read&&!scalar(@tmp));                   # quit reading
+        # quit reading when hitting the "ATOM" section
         last;
       }
     }

From c6c00ee7eee0f01e1fdf8f7d9e7d76957246c068 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 20:46:32 -0500
Subject: [PATCH 155/273] more spelling fixes

---
 doc/src/Howto_pylammps.txt | 2 +-
 doc/src/Run_windows.txt    | 2 +-
 doc/src/pair_smtbq.txt     | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Howto_pylammps.txt b/doc/src/Howto_pylammps.txt
index a12bf13f2e..9706e30f6e 100644
--- a/doc/src/Howto_pylammps.txt
+++ b/doc/src/Howto_pylammps.txt
@@ -328,7 +328,7 @@ jupyter notebook :pre
 IPyLammps Examples :h4
 
 Examples of IPython notebooks can be found in the python/examples/pylammps
-subdirectory. To open these notebooks launch {jupyter notebook} inside this
+sub-directory. To open these notebooks launch {jupyter notebook} inside this
 directory and navigate to one of them. If you compiled and installed
 a LAMMPS shared library with exceptions, PNG, JPEG and FFMPEG support
 you should be able to rerun all of these notebooks.
diff --git a/doc/src/Run_windows.txt b/doc/src/Run_windows.txt
index 85c9a6550d..e9c3b60dbe 100644
--- a/doc/src/Run_windows.txt
+++ b/doc/src/Run_windows.txt
@@ -41,7 +41,7 @@ path for the default location of this MPI package. After the
 installation of the MPICH2 software, it needs to be integrated into
 the system.  For this you need to start a Command Prompt in
 {Administrator Mode} (right click on the icon and select it). Change
-into the MPICH2 installation directory, then into the subdirectory
+into the MPICH2 installation directory, then into the sub-directory
 [bin] and execute [smpd.exe -install]. Exit the command window.
 
 Get a new, regular command prompt by going to Start->Run... ,
diff --git a/doc/src/pair_smtbq.txt b/doc/src/pair_smtbq.txt
index e81411678a..f3b69f2861 100644
--- a/doc/src/pair_smtbq.txt
+++ b/doc/src/pair_smtbq.txt
@@ -19,7 +19,7 @@ pair_coeff * * ffield.smtbq.Al2O3 O Al :pre
 
 [Description:]
 
-This pair stylecomputes a variable charge SMTB-Q (Second-Moment
+This pair style computes a variable charge SMTB-Q (Second-Moment
 tight-Binding QEq) potential as described in "SMTB-Q_1"_#SMTB-Q_1 and
 "SMTB-Q_2"_#SMTB-Q_2. Briefly, the energy of metallic-oxygen systems
 is given by three contributions:

From 0bcb1bd3019be1baa76e6df939145275e7fc4263 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 19 Nov 2018 21:17:54 -0500
Subject: [PATCH 156/273] more spelling fixes and occational re-edits

---
 doc/src/Build_extras.txt                |  6 +-
 doc/src/Build_settings.txt              |  2 +-
 doc/src/Build_windows.txt               |  2 +-
 doc/src/Commands_parse.txt              |  2 +-
 doc/src/Errors_messages.txt             | 24 ++++----
 doc/src/Errors_warnings.txt             |  6 +-
 doc/src/Examples.txt                    |  2 +-
 doc/src/Howto_chunk.txt                 |  4 +-
 doc/src/Howto_client_server.txt         |  2 +-
 doc/src/Howto_coreshell.txt             |  6 +-
 doc/src/Howto_dispersion.txt            |  2 +-
 doc/src/Howto_drude.txt                 |  2 +-
 doc/src/Howto_drude2.txt                |  8 +--
 doc/src/Howto_elastic.txt               |  2 +-
 doc/src/Howto_github.txt                |  6 +-
 doc/src/Howto_manifold.txt              |  4 +-
 doc/src/Howto_nemd.txt                  |  2 +-
 doc/src/Howto_polarizable.txt           |  6 +-
 doc/src/Howto_pylammps.txt              |  6 +-
 doc/src/Howto_replica.txt               |  2 +-
 doc/src/Howto_spc.txt                   |  2 +-
 doc/src/Howto_spherical.txt             |  2 +-
 doc/src/Howto_spins.txt                 |  2 +-
 doc/src/Howto_thermostat.txt            |  2 +-
 doc/src/Howto_triclinic.txt             |  2 +-
 doc/src/Howto_viscosity.txt             |  2 +-
 doc/src/Intro_authors.txt               |  2 +-
 doc/src/Intro_features.txt              |  4 +-
 doc/src/Intro_nonfeatures.txt           |  2 +-
 doc/src/Modify_contribute.txt           |  4 +-
 doc/src/Modify_pair.txt                 |  2 +-
 doc/src/Modify_region.txt               |  4 +-
 doc/src/Packages_details.txt            |  4 +-
 doc/src/Packages_user.txt               |  4 +-
 doc/src/Python_call.txt                 |  2 +-
 doc/src/Python_examples.txt             |  2 +-
 doc/src/Speed.txt                       |  2 +-
 doc/src/Speed_intel.txt                 | 80 ++++++++++++-------------
 doc/src/Speed_kokkos.txt                |  6 +-
 doc/src/Speed_packages.txt              |  4 +-
 doc/src/Tools.txt                       |  8 +--
 doc/src/angle_sdk.txt                   |  2 +-
 doc/src/atom_style.txt                  |  2 +-
 doc/src/balance.txt                     |  8 +--
 doc/src/bond_oxdna.txt                  |  2 +-
 doc/src/comm_modify.txt                 |  2 +-
 doc/src/compute_adf.txt                 | 62 +++++++++----------
 doc/src/compute_bond_local.txt          |  2 +-
 doc/src/compute_chunk_atom.txt          |  2 +-
 doc/src/compute_cna_atom.txt            |  2 +-
 doc/src/compute_damage_atom.txt         |  2 +-
 doc/src/compute_displace_atom.txt       |  2 +-
 doc/src/compute_msd.txt                 |  2 +-
 doc/src/compute_msd_nongauss.txt        |  2 +-
 doc/src/compute_pair.txt                |  2 +-
 doc/src/compute_plasticity_atom.txt     |  2 +-
 doc/src/compute_pressure.txt            |  4 +-
 doc/src/compute_pressure_cylinder.txt   |  2 +-
 doc/src/compute_reduce.txt              |  2 +-
 doc/src/compute_reduce_chunk.txt        |  2 +-
 doc/src/compute_smd_hourglass_error.txt |  2 +-
 doc/src/compute_smd_tlsph_defgrad.txt   |  2 +-
 doc/src/compute_smd_tlsph_shape.txt     |  2 +-
 doc/src/compute_stress_atom.txt         |  4 +-
 doc/src/compute_tally.txt               |  2 +-
 doc/src/compute_temp_asphere.txt        |  2 +-
 doc/src/compute_temp_chunk.txt          |  2 +-
 doc/src/compute_temp_cs.txt             |  2 +-
 doc/src/create_box.txt                  |  2 +-
 doc/src/dihedral_charmm.txt             |  4 +-
 doc/src/dump_h5md.txt                   |  6 +-
 doc/src/dump_image.txt                  | 11 ++--
 doc/src/dump_modify.txt                 |  4 +-
 doc/src/fix.txt                         |  2 +-
 doc/src/fix_append_atoms.txt            |  4 +-
 doc/src/fix_ave_chunk.txt               |  2 +-
 doc/src/fix_ave_time.txt                |  2 +-
 doc/src/fix_balance.txt                 | 34 +++++------
 doc/src/fix_bocs.txt                    |  2 +-
 doc/src/fix_bond_break.txt              |  2 +-
 doc/src/fix_bond_create.txt             |  6 +-
 doc/src/fix_bond_react.txt              |  2 +-
 doc/src/fix_bond_swap.txt               |  2 +-
 doc/src/fix_client_md.txt               |  2 +-
 doc/src/fix_cmap.txt                    | 10 ++--
 doc/src/fix_colvars.txt                 |  2 +-
 doc/src/fix_deposit.txt                 |  2 +-
 doc/src/fix_drude_transform.txt         | 12 ++--
 doc/src/fix_ehex.txt                    |  8 +--
 doc/src/fix_eos_table.txt               |  4 +-
 doc/src/fix_evaporate.txt               |  4 +-
 doc/src/fix_grem.txt                    |  2 +-
 doc/src/fix_heat.txt                    |  2 +-
 doc/src/fix_hyper_global.txt            | 10 ++--
 doc/src/fix_hyper_local.txt             | 14 ++---
 doc/src/fix_imd.txt                     |  2 +-
 doc/src/fix_indent.txt                  |  2 +-
 doc/src/fix_langevin.txt                |  2 +-
 doc/src/fix_langevin_drude.txt          | 28 ++++-----
 doc/src/fix_meso_move.txt               |  2 +-
 doc/src/fix_msst.txt                    |  2 +-
 doc/src/fix_nh.txt                      |  2 +-
 doc/src/fix_nh_uef.txt                  |  2 +-
 doc/src/fix_nve_awpmd.txt               |  2 +-
 doc/src/fix_nvt_sllod.txt               |  2 +-
 doc/src/fix_phonon.txt                  |  4 +-
 doc/src/fix_plumed.txt                  |  2 +-
 doc/src/fix_property_atom.txt           |  2 +-
 doc/src/fix_qmmm.txt                    |  2 +-
 doc/src/fix_recenter.txt                |  4 +-
 doc/src/fix_restrain.txt                |  6 +-
 doc/src/fix_tfmc.txt                    |  2 +-
 doc/src/fix_ti_spring.txt               |  2 +-
 doc/src/fix_tune_kspace.txt             |  4 +-
 doc/src/fix_wall_piston.txt             |  4 +-
 doc/src/hyper.txt                       |  2 +-
 doc/src/improper_none.txt               |  2 +-
 doc/src/kspace_modify.txt               | 16 ++---
 doc/src/kspace_style.txt                |  6 +-
 doc/src/minimize.txt                    |  2 +-
 doc/src/molecule.txt                    |  4 +-
 doc/src/neb.txt                         |  4 +-
 doc/src/package.txt                     | 46 +++++++-------
 doc/src/pair_agni.txt                   |  2 +-
 doc/src/pair_awpmd.txt                  |  6 +-
 doc/src/pair_bop.txt                    |  2 +-
 doc/src/pair_charmm.txt                 |  2 +-
 doc/src/pair_coeff.txt                  |  2 +-
 doc/src/pair_coul.txt                   |  4 +-
 doc/src/pair_dipole.txt                 |  4 +-
 doc/src/pair_dpd.txt                    |  4 +-
 doc/src/pair_dpd_fdt.txt                |  2 +-
 doc/src/pair_edip.txt                   |  2 +-
 doc/src/pair_eff.txt                    | 16 ++---
 doc/src/pair_gran.txt                   |  2 +-
 doc/src/pair_hbond_dreiding.txt         |  8 +--
 doc/src/pair_hybrid.txt                 |  4 +-
 doc/src/pair_ilp_graphene_hbn.txt       |  2 +-
 doc/src/pair_kolmogorov_crespi_z.txt    |  2 +-
 doc/src/pair_lj.txt                     |  2 +-
 doc/src/pair_lj_long.txt                |  2 +-
 doc/src/pair_lj_smooth.txt              |  2 +-
 doc/src/pair_lj_soft.txt                |  8 +--
 doc/src/pair_modify.txt                 |  2 +-
 doc/src/pair_nb3b_harmonic.txt          |  4 +-
 doc/src/pair_oxdna.txt                  |  2 +-
 doc/src/pair_oxdna2.txt                 |  2 +-
 doc/src/pair_peri.txt                   |  4 +-
 doc/src/pair_polymorphic.txt            |  2 +-
 doc/src/pair_quip.txt                   |  4 +-
 doc/src/pair_sdk.txt                    |  2 +-
 doc/src/pair_smd_tlsph.txt              |  2 +-
 doc/src/pair_smd_ulsph.txt              |  2 +-
 doc/src/pair_smtbq.txt                  |  6 +-
 doc/src/pair_spin_dmi.txt               |  2 +-
 doc/src/pair_spin_exchange.txt          |  4 +-
 doc/src/pair_spin_neel.txt              |  4 +-
 doc/src/pair_style.txt                  |  4 +-
 doc/src/pair_sw.txt                     |  4 +-
 doc/src/pair_tri_lj.txt                 |  2 +-
 doc/src/read_data.txt                   | 12 ++--
 doc/src/read_dump.txt                   |  2 +-
 doc/src/run_style.txt                   |  2 +-
 doc/src/server_mc.txt                   |  2 +-
 doc/src/server_md.txt                   |  2 +-
 doc/src/special_bonds.txt               |  4 +-
 doc/src/suffix.txt                      |  2 +-
 doc/src/tad.txt                         |  2 +-
 doc/src/timer.txt                       |  6 +-
 doc/src/units.txt                       | 14 ++---
 doc/src/variable.txt                    |  4 +-
 171 files changed, 431 insertions(+), 430 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 98937c096e..4377981662 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -750,7 +750,7 @@ a global PLUMED installation or downloading it during building LAMMPS.
 -D PLUMED_MODE=value       # Linkage mode for PLUMED, value = static (default), shared, or runtime :pre
 
 If DOWNLOAD_PLUMED is set to "yes", the PLUMED library will be
-downloaded (the version of that is hardcoded to a vetted version of
+downloaded (the version of that is hard-coded to a vetted version of
 PLUMED, usually a recent stable release version) and built inside the
 CMake build directory.  If DOWNLOAD_PLUMED is set to "no" (the default),
 CMake will try to detect an installed version of PLUMED and link to
@@ -788,7 +788,7 @@ Note that 2 symbolic (soft) links, "includelink" and "liblink" are
 created in lib/plumed to point into the location of the PLUMED build to
 use and also a new file lib/plumed/Makefile.lammps is created with
 settings suitable for LAMMPS to compile and link PLUMED in the desired
-linkage mode. After this step is compleded, you can install the
+linkage mode. After this step is completed, you can install the
 USER-PLUMED package and compile LAMMPS in the usual manner:
 
 make yes-user-plumed 
@@ -804,7 +804,7 @@ operating systems, using the static linkage is expected to be the most
 portable, and thus set to be the default.
 
 If you want to change the linkage mode, you have to re-run "make
-lib-plumed" with the desired settings [and] do a reinstall if the
+lib-plumed" with the desired settings [and] do a re-install if the
 USER-PLUMED package with "make yes-user-plumed" to update the required
 makefile settings with the changes in the lib/plumed folder.
 
diff --git a/doc/src/Build_settings.txt b/doc/src/Build_settings.txt
index 500130ecee..c871d4ab42 100644
--- a/doc/src/Build_settings.txt
+++ b/doc/src/Build_settings.txt
@@ -139,7 +139,7 @@ adequate.
 [Makefile.machine setting]:
 
 LMP_INC = -DLAMMPS_SMALLBIG    # or -DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :pre
-                               # default is LAMMMPS_SMALLBIG if not specified
+                               # default is LAMMPS_SMALLBIG if not specified
 [CMake and make info]:
 
 The default "smallbig" setting allows for simulations with:
diff --git a/doc/src/Build_windows.txt b/doc/src/Build_windows.txt
index 0caad589fb..6ac6f52d54 100644
--- a/doc/src/Build_windows.txt
+++ b/doc/src/Build_windows.txt
@@ -66,7 +66,7 @@ In case of problems, you are recommended to contact somebody with
 experience in using cygwin.  If you do come across portability problems
 requiring changes to the LAMMPS source code, or figure out corrections
 yourself, please report them on the lammps-users mailing list, or file
-them as an issue or pull request on the LAMMPS github project.
+them as an issue or pull request on the LAMMPS GitHub project.
 
 
 Using a cross-compiler :h4,link(cross)
diff --git a/doc/src/Commands_parse.txt b/doc/src/Commands_parse.txt
index 1d7c754fa7..13a4c2699d 100644
--- a/doc/src/Commands_parse.txt
+++ b/doc/src/Commands_parse.txt
@@ -91,7 +91,7 @@ See the "variable"_variable.html command for more details of how
 strings are assigned to variables and evaluated, and how they can be
 used in input script commands.
 
-(4) The line is broken into "words" separated by whitespace (tabs,
+(4) The line is broken into "words" separated by white-space (tabs,
 spaces).  Note that words can thus contain letters, digits,
 underscores, or punctuation characters.
 
diff --git a/doc/src/Errors_messages.txt b/doc/src/Errors_messages.txt
index 2844749c28..de6d974dde 100644
--- a/doc/src/Errors_messages.txt
+++ b/doc/src/Errors_messages.txt
@@ -421,9 +421,9 @@ This is an internal error.  It should normally not occur. :dd
 
 This is an internal error.  It should normally not occur. :dd
 
-{Bad real space Coulomb cutoff in fix tune/kspace} :dt
+{Bad real space Coulombic cutoff in fix tune/kspace} :dt
 
-Fix tune/kspace tried to find the optimal real space Coulomb cutoff using
+Fix tune/kspace tried to find the optimal real space Coulombic cutoff using
 the Newton-Rhaphson method, but found a non-positive or NaN cutoff :dd
 
 {Balance command before simulation box is defined} :dt
@@ -3351,21 +3351,21 @@ probably due to errors in the Python code. :dd
 The default minimum order is 2.  This can be reset by the
 kspace_modify minorder command. :dd
 
-{Coulomb cut not supported in pair_style buck/long/coul/coul} :dt
+{Coulombic cutoff not supported in pair_style buck/long/coul/coul} :dt
 
 Must use long-range Coulombic interactions. :dd
 
-{Coulomb cut not supported in pair_style lj/long/coul/long} :dt
+{Coulombic cutoff not supported in pair_style lj/long/coul/long} :dt
 
 Must use long-range Coulombic interactions. :dd
 
-{Coulomb cut not supported in pair_style lj/long/tip4p/long} :dt
+{Coulombic cutoff not supported in pair_style lj/long/tip4p/long} :dt
 
 Must use long-range Coulombic interactions. :dd
 
-{Coulomb cutoffs of pair hybrid sub-styles do not match} :dt
+{Coulombic cutoffs of pair hybrid sub-styles do not match} :dt
 
-If using a Kspace solver, all Coulomb cutoffs of long pair styles must
+If using a Kspace solver, all Coulombic cutoffs of long pair styles must
 be the same. :dd
 
 {Coulombic cut not supported in pair_style lj/long/dipole/long} :dt
@@ -5938,9 +5938,9 @@ map command will force an atom map to be created. :dd
 
 Self-explanatory. :dd
 
-{Input line quote not followed by whitespace} :dt
+{Input line quote not followed by white-space} :dt
 
-An end quote must be followed by whitespace. :dd
+An end quote must be followed by white-space. :dd
 
 {Insertion region extends outside simulation box} :dt
 
@@ -7014,7 +7014,7 @@ The kspace accuracy designated in the input must be greater than zero. :dd
 
 {KSpace accuracy too large to estimate G vector} :dt
 
-Reduce the accuracy request or specify gwald explicitly
+Reduce the accuracy request or specify gewald explicitly
 via the kspace_modify command. :dd
 
 {KSpace accuracy too low} :dt
@@ -9198,7 +9198,7 @@ creates one large file for all processors. :dd
 {Restart file byte ordering is not recognized} :dt
 
 The file does not appear to be a LAMMPS restart file since it doesn't
-contain a recognized byte-orderomg flag at the beginning. :dd
+contain a recognized byte-ordering flag at the beginning. :dd
 
 {Restart file byte ordering is swapped} :dt
 
@@ -9410,7 +9410,7 @@ You may also want to boost the page size. :dd
 
 {Small to big integers are not sized correctly} :dt
 
-This error occurs whenthe sizes of smallint, imageint, tagint, bigint,
+This error occurs when the sizes of smallint, imageint, tagint, bigint,
 as defined in src/lmptype.h are not what is expected.  Contact
 the developers if this occurs. :dd
 
diff --git a/doc/src/Errors_warnings.txt b/doc/src/Errors_warnings.txt
index 0980120a10..079688c639 100644
--- a/doc/src/Errors_warnings.txt
+++ b/doc/src/Errors_warnings.txt
@@ -757,7 +757,7 @@ Self-explanatory. :dd
 
 This may indicate the shell command did not operate as expected. :dd
 
-{Should not allow rigid bodies to bounce off relecting walls} :dt
+{Should not allow rigid bodies to bounce off reflecting walls} :dt
 
 LAMMPS allows this, but their dynamics are not computed correctly. :dd
 
@@ -850,10 +850,10 @@ Most FENE models need this setting for the special_bonds command. :dd
 
 Most FENE models need this setting for the special_bonds command. :dd
 
-{Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions} :dt
+{Using a many-body potential with bonds/angles/dihedrals and special_bond exclusions} :dt
 
 This is likely not what you want to do.  The exclusion settings will
-eliminate neighbors in the neighbor list, which the manybody potential
+eliminate neighbors in the neighbor list, which the many-body potential
 needs to calculated its terms correctly. :dd
 
 {Using compute temp/deform with inconsistent fix deform remap option} :dt
diff --git a/doc/src/Examples.txt b/doc/src/Examples.txt
index 4b6db8a047..e26e6abd99 100644
--- a/doc/src/Examples.txt
+++ b/doc/src/Examples.txt
@@ -78,7 +78,7 @@ micelle:  self-assembly of small lipid-like molecules into 2d bilayers
 min:      energy minimization of 2d LJ melt
 mscg:     parameterize a multi-scale coarse-graining (MSCG) model
 msst:     MSST shock dynamics
-nb3b:     use of nonbonded 3-body harmonic pair style
+nb3b:     use of non-bonded 3-body harmonic pair style
 neb:      nudged elastic band (NEB) calculation for barrier finding
 nemd:     non-equilibrium MD of 2d sheared system
 obstacle: flow around two voids in a 2d channel
diff --git a/doc/src/Howto_chunk.txt b/doc/src/Howto_chunk.txt
index 82a4450d17..e29cf13167 100644
--- a/doc/src/Howto_chunk.txt
+++ b/doc/src/Howto_chunk.txt
@@ -22,8 +22,8 @@ commands, to calculate various properties of a system:
 "fix ave/chunk"_fix_ave_chunk.html
 any of the "compute */chunk"_compute.html commands :ul
 
-Here, each of the 4 kinds of chunk-related commands is briefly
-overviewed.  Then some examples are given of how to compute different
+Here a brief overview for each of the 4 kinds of chunk-related commands
+is provided.  Then some examples are given of how to compute different
 properties with chunk commands.
 
 Compute chunk/atom command: :h4
diff --git a/doc/src/Howto_client_server.txt b/doc/src/Howto_client_server.txt
index 897b0aa6ff..5875a48744 100644
--- a/doc/src/Howto_client_server.txt
+++ b/doc/src/Howto_client_server.txt
@@ -87,7 +87,7 @@ DFT forces, thru a Python wrapper script on VASP.
 Here is how to launch a client and server code together for any of the
 4 modes of message exchange that the "message"_message.html command
 and the CSlib support.  Here LAMMPS is used as both the client and
-server code.  Another code could be subsitituted for either.
+server code.  Another code could be substituted for either.
 
 The examples below show launching both codes from the same window (or
 batch script), using the "&" character to launch the first code in the
diff --git a/doc/src/Howto_coreshell.txt b/doc/src/Howto_coreshell.txt
index 7503fa1ebe..d3c320cb37 100644
--- a/doc/src/Howto_coreshell.txt
+++ b/doc/src/Howto_coreshell.txt
@@ -19,7 +19,7 @@ polarizable"_Howto_polarizable.html doc page for a discussion of all
 the polarizable models available in LAMMPS.
 
 Technically, shells are attached to the cores by a spring force f =
-k*r where k is a parametrized spring constant and r is the distance
+k*r where k is a parameterized spring constant and r is the distance
 between the core and the shell. The charges of the core and the shell
 add up to the ion charge, thus q(ion) = q(core) + q(shell). This
 setup introduces the ion polarizability (alpha) given by
@@ -111,7 +111,7 @@ the core and shell particles corresponds to the polarization,
 hereby an instantaneous relaxation of the shells is approximated
 and a fast core/shell spring frequency ensures a nearly constant
 internal kinetic energy during the simulation.
-Thermostats can alter this polarization behaviour, by scaling the
+Thermostats can alter this polarization behavior, by scaling the
 internal kinetic energy, meaning the shell will not react freely to
 its electrostatic environment.
 Therefore it is typically desirable to decouple the relative motion of
@@ -165,7 +165,7 @@ fix_modify press_bar temp CSequ press thermo_press_lmp  # pressure modification
 If "compute temp/cs"_compute_temp_cs.html is used, the decoupled
 relative motion of the core and the shell should in theory be
 stable.  However numerical fluctuation can introduce a small
-momentum to the system, which is noticable over long trajectories.
+momentum to the system, which is noticeable over long trajectories.
 Therefore it is recommendable to use the "fix
 momentum"_fix_momentum.html command in combination with "compute
 temp/cs"_compute_temp_cs.html when equilibrating the system to
diff --git a/doc/src/Howto_dispersion.txt b/doc/src/Howto_dispersion.txt
index 8a5953d84d..510e531d1f 100644
--- a/doc/src/Howto_dispersion.txt
+++ b/doc/src/Howto_dispersion.txt
@@ -74,7 +74,7 @@ command.
 A reasonable approach that combines the upsides of both methods is to
 make the first run using the {kspace_modify force/disp/real} and
 {kspace_modify force/disp/kspace} commands, write down the PPPM
-parameters from the outut, and specify these parameters using the
+parameters from the output, and specify these parameters using the
 second approach in subsequent runs (which have the same composition,
 force field, and approximately the same volume).
 
diff --git a/doc/src/Howto_drude.txt b/doc/src/Howto_drude.txt
index ebdf5f8658..fdbbd19771 100644
--- a/doc/src/Howto_drude.txt
+++ b/doc/src/Howto_drude.txt
@@ -17,7 +17,7 @@ for a discussion of all the polarizable models available in LAMMPS.
 The Drude model has a number of features aimed at its use in
 molecular systems ("Lamoureux and Roux"_#howto-Lamoureux):
 
-Thermostating of the additional degrees of freedom associated with the
+Thermostatting of the additional degrees of freedom associated with the
 induced dipoles at very low temperature, in terms of the reduced
 coordinates of the Drude particles with respect to their cores. This
 makes the trajectory close to that of relaxed induced dipoles. :ulb,l
diff --git a/doc/src/Howto_drude2.txt b/doc/src/Howto_drude2.txt
index 0e72273723..afb528eb4a 100644
--- a/doc/src/Howto_drude2.txt
+++ b/doc/src/Howto_drude2.txt
@@ -82,7 +82,7 @@ decouple the degrees of freedom associated with the Drude oscillators
 from those of the normal atoms. Thermalizing the Drude dipoles at
 temperatures comparable to the rest of the simulation leads to several
 problems (kinetic energy transfer, very short timestep, etc.), which
-can be remediate by the "cold Drude" technique ("Lamoureux and
+can be remedied by the "cold Drude" technique ("Lamoureux and
 Roux"_#Lamoureux2).
 
 Two closely related models are used to represent polarization through
@@ -213,7 +213,7 @@ of mass of the DC-DP pairs, with relaxation time 100 and with random
 seed 12345.  This fix applies also a Langevin thermostat at temperature
 1. to the relative motion of the DPs around their DCs, with relaxation
 time 20 and random seed 13977.  Only the DCs and non-polarizable
-atoms need to be in this fix's group.  LAMMPS will thermostate the DPs
+atoms need to be in this fix's group.  LAMMPS will thermostat the DPs
 together with their DC.  For this, ghost atoms need to know their
 velocities. Thus you need to add the following command:
 
@@ -360,7 +360,7 @@ fix NPH all nph iso 1. 1. 500 :pre
 It is also possible to use a Nose-Hoover instead of a Langevin
 thermostat.  This requires to use "{fix
 drude/transform}"_fix_drude_transform.html just before and after the
-time intergation fixes.  The {fix drude/transform/direct} converts the
+time integration fixes.  The {fix drude/transform/direct} converts the
 atomic masses, positions, velocities and forces into a reduced
 representation, where the DCs transform into the centers of mass of
 the DC-DP pairs and the DPs transform into their relative position
@@ -396,7 +396,7 @@ global pressure and thus a global temperature whatever the fix group.
 We do want the pressure to correspond to the whole system, but we want
 the temperature to correspond to the fix group only.  We must then use
 the {fix_modify} command for this.  In the end, the block of
-instructions for thermostating and barostatting will look like
+instructions for thermostatting and barostatting will look like
 
 compute TATOMS ATOMS temp
 fix DIRECT all drude/transform/direct
diff --git a/doc/src/Howto_elastic.txt b/doc/src/Howto_elastic.txt
index 68b30970ca..ee8e7c26a4 100644
--- a/doc/src/Howto_elastic.txt
+++ b/doc/src/Howto_elastic.txt
@@ -30,7 +30,7 @@ examples/elastic directory described on the "Examples"_Examples.html
 doc page.
 
 Calculating elastic constants at finite temperature is more
-challenging, because it is necessary to run a simulation that perfoms
+challenging, because it is necessary to run a simulation that performs
 time averages of differential properties. One way to do this is to
 measure the change in average stress tensor in an NVT simulations when
 the cell volume undergoes a finite deformation. In order to balance
diff --git a/doc/src/Howto_github.txt b/doc/src/Howto_github.txt
index 3c2b9ac8c5..ef55653f37 100644
--- a/doc/src/Howto_github.txt
+++ b/doc/src/Howto_github.txt
@@ -96,7 +96,7 @@ machine to a directory with the name you chose. If none is given, it will
 default to "lammps". Typical names are "mylammps" or something similar.
 
 You can use this local clone to make changes and
-test them without interfering with the repository on Github.
+test them without interfering with the repository on GitHub.
 
 To pull changes from upstream into this copy, you can go to the directory
 and use git pull:
@@ -150,7 +150,7 @@ After the commit, the changes can be pushed to the same branch on GitHub:
 $ git push :pre
 
 Git will ask you for your user name and password on GitHub if you have
-not configured anything. If your local branch is not present on Github yet,
+not configured anything. If your local branch is not present on GitHub yet,
 it will ask you to add it by running
 
   $ git push --set-upstream origin github-tutorial-update :pre
@@ -369,7 +369,7 @@ commit and push again:
  $ git commit -m "Merged Axel's suggestions and updated text"
  $ git push git@github.com:Pakketeretet2/lammps :pre
 
-This merge also shows up on the lammps Github page:
+This merge also shows up on the lammps GitHub page:
 
 :c,image(JPG/tutorial_reverse_pull_request7.png)
 
diff --git a/doc/src/Howto_manifold.txt b/doc/src/Howto_manifold.txt
index 09a936f7d3..904432a946 100644
--- a/doc/src/Howto_manifold.txt
+++ b/doc/src/Howto_manifold.txt
@@ -31,8 +31,8 @@ plane @ a b c x0 y0 z0 @ a*(x-x0) + b*(y-y0) + c*(z-z0) = 0 @ A plane with norma
 plane_wiggle @ a w @ z - a*sin(w*x) = 0 @ A plane with a sinusoidal modulation on z along x.
 sphere @ R @ x^2 + y^2 + z^2 - R^2 = 0 @ A sphere of radius R
 supersphere @ R q @ | x |^q + | y |^q + | z |^q - R^q = 0 @ A supersphere of hyperradius R
-spine @ a, A, B, B2, c @ -(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^4), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise  @ An approximation to a dendtritic spine
-spine_two @ a, A, B, B2, c @ -(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^2), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise  @ Another approximation to a dendtritic spine
+spine @ a, A, B, B2, c @ -(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^4), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise  @ An approximation to a dendritic spine
+spine_two @ a, A, B, B2, c @ -(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^2), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise  @ Another approximation to a dendritic spine
 thylakoid @ wB LB lB @ Various, see "(Paquay)"_#Paquay1 @ A model grana thylakoid consisting of two block-like compartments connected by a bridge of width wB, length LB and taper length lB
 torus @ R r  @  (R - sqrt( x^2 + y^2 ) )^2 + z^2 - r^2  @ A torus with large radius R and small radius r, centered on (0,0,0) :tb(s=@)
 
diff --git a/doc/src/Howto_nemd.txt b/doc/src/Howto_nemd.txt
index 10139d907c..1ec9c51f4e 100644
--- a/doc/src/Howto_nemd.txt
+++ b/doc/src/Howto_nemd.txt
@@ -55,5 +55,5 @@ using the "fix flow/gauss"_fix_flow_gauss.html command.
 :line
 
 :link(Daivis-nemd)
-[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dyanmics (book),
+[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
 Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
diff --git a/doc/src/Howto_polarizable.txt b/doc/src/Howto_polarizable.txt
index b2653b117e..00a73dddd3 100644
--- a/doc/src/Howto_polarizable.txt
+++ b/doc/src/Howto_polarizable.txt
@@ -45,8 +45,8 @@ high symmetry around each site leads to stable trajectories of the
 core-shell pairs. However, bonded atoms in molecules can be so close
 that a core would interact too strongly or even capture the Drude
 particle of a neighbor. The Drude dipole model is relatively more
-complex in order to remediate this and other issues. Specifically, the
-Drude model includes specific thermostating of the core-Drude pairs
+complex in order to remedy this and other issues. Specifically, the
+Drude model includes specific thermostatting of the core-Drude pairs
 and short-range damping of the induced dipoles.
 
 The three polarization methods can be implemented through a
@@ -77,5 +77,5 @@ motion of the Drude particles with respect to their cores is kept
 approaching the self-consistent regime.  In both models the
 temperature is regulated using the velocities of the center of mass of
 core+shell (or Drude) pairs, but in the Drude model the actual
-relative core-Drude particle motion is thermostated separately as
+relative core-Drude particle motion is thermostatted separately as
 well.
diff --git a/doc/src/Howto_pylammps.txt b/doc/src/Howto_pylammps.txt
index 9706e30f6e..b731a8e31a 100644
--- a/doc/src/Howto_pylammps.txt
+++ b/doc/src/Howto_pylammps.txt
@@ -141,16 +141,16 @@ Python code if {L} was a lammps instance:
 L.command("region box block 0 10 0 5 -0.5 0.5") :pre
 
 With the PyLammps interface, any command can be split up into arbitrary parts
-separated by whitespace, passed as individual arguments to a region method.
+separated by white-space, passed as individual arguments to a region method.
 
 L.region("box block", 0, 10, 0, 5, -0.5, 0.5) :pre
 
 Note that each parameter is set as Python literal floating-point number. In the
 PyLammps interface, each command takes an arbitrary parameter list and transparently
-merges it to a single command string, separating individual parameters by whitespace.
+merges it to a single command string, separating individual parameters by white-space.
 
 The benefit of this approach is avoiding redundant command calls and easier
-parameterization. In the original interface parametrization needed to be done
+parameterization. In the original interface parameterization needed to be done
 manually by creating formatted strings.
 
 L.command("region box block %f %f %f %f %f %f" % (xlo, xhi, ylo, yhi, zlo, zhi)) :pre
diff --git a/doc/src/Howto_replica.txt b/doc/src/Howto_replica.txt
index 2135e52e0e..29d1aa02fd 100644
--- a/doc/src/Howto_replica.txt
+++ b/doc/src/Howto_replica.txt
@@ -9,7 +9,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 
 Multi-replica simulations :h3
 
-Several commands in LAMMPS run mutli-replica simulations, meaning
+Several commands in LAMMPS run multi-replica simulations, meaning
 that multiple instances (replicas) of your simulation are run
 simultaneously, with small amounts of data exchanged between replicas
 periodically.
diff --git a/doc/src/Howto_spc.txt b/doc/src/Howto_spc.txt
index 2cbf16547b..c0d4d77c5f 100644
--- a/doc/src/Howto_spc.txt
+++ b/doc/src/Howto_spc.txt
@@ -30,7 +30,7 @@ r0 of OH bond = 1.0
 theta of HOH angle = 109.47 :all(b),p
 
 Note that as originally proposed, the SPC model was run with a 9
-Angstrom cutoff for both LJ and Coulommbic terms.  It can also be used
+Angstrom cutoff for both LJ and Coulombic terms.  It can also be used
 with long-range Coulombics (Ewald or PPPM in LAMMPS), without changing
 any of the parameters above, though it becomes a different model in
 that mode of usage.
diff --git a/doc/src/Howto_spherical.txt b/doc/src/Howto_spherical.txt
index d4233e7b81..a0ff90c42d 100644
--- a/doc/src/Howto_spherical.txt
+++ b/doc/src/Howto_spherical.txt
@@ -236,7 +236,7 @@ particles are point masses.
 Also note that body particles cannot be modeled with the "fix
 rigid"_fix_rigid.html command.  Body particles are treated by LAMMPS
 as single particles, though they can store internal state, such as a
-list of sub-particles.  Individual body partices are typically treated
+list of sub-particles.  Individual body particles are typically treated
 as rigid bodies, and their motion integrated with a command like "fix
 nve/body"_fix_nve_body.html.  Interactions between pairs of body
 particles are computed via a command like "pair_style
diff --git a/doc/src/Howto_spins.txt b/doc/src/Howto_spins.txt
index b549f99be2..88a5fbd86f 100644
--- a/doc/src/Howto_spins.txt
+++ b/doc/src/Howto_spins.txt
@@ -36,7 +36,7 @@ A Langevin thermostat can be applied to those magnetic spins using
 "fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat 
 can be coupled to another Langevin thermostat applied to the atoms 
 using "fix langevin"_fix_langevin.html in order to simulate 
-thermostated spin-lattice system. 
+thermostatted spin-lattice system. 
 
 The magnetic Gilbert damping can also be applied using "fix 
 langevin/spin"_fix_langevin_spin.html. It allows to either dissipate 
diff --git a/doc/src/Howto_thermostat.txt b/doc/src/Howto_thermostat.txt
index 9f7e2f3000..aebf4555a7 100644
--- a/doc/src/Howto_thermostat.txt
+++ b/doc/src/Howto_thermostat.txt
@@ -96,5 +96,5 @@ temperature compute is used for default thermodynamic output.
 :line
 
 :link(Daivis-thermostat)
-[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dyanmics (book),
+[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
 Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
diff --git a/doc/src/Howto_triclinic.txt b/doc/src/Howto_triclinic.txt
index 4b299e5ae1..2c5834a396 100644
--- a/doc/src/Howto_triclinic.txt
+++ b/doc/src/Howto_triclinic.txt
@@ -200,7 +200,7 @@ used with non-orthogonal basis vectors to define a lattice that will
 tile a triclinic simulation box via the
 "create_atoms"_create_atoms.html command.
 
-A second use is to run Parinello-Rahman dynamics via the "fix
+A second use is to run Parrinello-Rahman dynamics via the "fix
 npt"_fix_nh.html command, which will adjust the xy, xz, yz tilt
 factors to compensate for off-diagonal components of the pressure
 tensor.  The analog for an "energy minimization"_minimize.html is
diff --git a/doc/src/Howto_viscosity.txt b/doc/src/Howto_viscosity.txt
index b4e441557d..ee070eba58 100644
--- a/doc/src/Howto_viscosity.txt
+++ b/doc/src/Howto_viscosity.txt
@@ -140,5 +140,5 @@ with time at sufficiently long times.
 :line
 
 :link(Daivis-viscosity)
-[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dyanmics (book),
+[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
 Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
diff --git a/doc/src/Intro_authors.txt b/doc/src/Intro_authors.txt
index b909265a3e..dc41727c05 100644
--- a/doc/src/Intro_authors.txt
+++ b/doc/src/Intro_authors.txt
@@ -48,7 +48,7 @@ Trung Ngyuen (Northwestern U), GPU and RIGID and BODY packages
 Mike Parks (Sandia), PERI package for Peridynamics
 Roy Pollock (LLNL), Ewald and PPPM solvers
 Christian Trott (Sandia), USER-CUDA and KOKKOS packages
-Ilya Valuev (JIHT), USER-AWPMD package for wave-packet MD
+Ilya Valuev (JIHT), USER-AWPMD package for wave packet MD
 Greg Wagner (Northwestern U), MEAM package for MEAM potential :ul
 
 :line
diff --git a/doc/src/Intro_features.txt b/doc/src/Intro_features.txt
index 07c549c156..d5e5b7f8b5 100644
--- a/doc/src/Intro_features.txt
+++ b/doc/src/Intro_features.txt
@@ -68,7 +68,7 @@ commands)
   pairwise potentials: Lennard-Jones, Buckingham, Morse, Born-Mayer-Huggins, \
     Yukawa, soft, class 2 (COMPASS), hydrogen bond, tabulated
   charged pairwise potentials: Coulombic, point-dipole
-  manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \
+  many-body potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), \
     embedded ion method (EIM), EDIP, ADP, Stillinger-Weber, Tersoff, \
     REBO, AIREBO, ReaxFF, COMB, SNAP, Streitz-Mintmire, 3-body polymorphic
   long-range interactions for charge, point-dipoles, and LJ dispersion: \
@@ -114,7 +114,7 @@ Ensembles, constraints, and boundary conditions :h4,link(ensemble)
 
   2d or 3d systems
   orthogonal or non-orthogonal (triclinic symmetry) simulation domains
-  constant NVE, NVT, NPT, NPH, Parinello/Rahman integrators
+  constant NVE, NVT, NPT, NPH, Parrinello/Rahman integrators
   thermostatting options for groups and geometric regions of atoms
   pressure control via Nose/Hoover or Berendsen barostatting in 1 to 3 dimensions
   simulation box deformation (tensile and shear)
diff --git a/doc/src/Intro_nonfeatures.txt b/doc/src/Intro_nonfeatures.txt
index 580039f91b..5d4b556e7c 100644
--- a/doc/src/Intro_nonfeatures.txt
+++ b/doc/src/Intro_nonfeatures.txt
@@ -51,7 +51,7 @@ the option to insert molecule templates instead of atoms.:l
 Force-field assignment: The conversion tools described in the previous
 bullet for CHARMM, AMBER, and Insight will also assign force field
 coefficients in the LAMMPS format, assuming you provide CHARMM, AMBER,
-or Accelerys force field files. :l
+or BIOVIA (formerly Accelrys) force field files. :l
 
 Simulation analysis: If you want to perform analysis on-the-fly as
 your simulation runs, see the "compute"_compute.html and
diff --git a/doc/src/Modify_contribute.txt b/doc/src/Modify_contribute.txt
index 8cbea8bb31..61b1405106 100644
--- a/doc/src/Modify_contribute.txt
+++ b/doc/src/Modify_contribute.txt
@@ -33,11 +33,11 @@ how much effort it will cause to integrate and test it, how much it
 requires changes to the core codebase, and of how much interest it is
 to the larger LAMMPS community.  Please see below for a checklist of
 typical requirements. Once you have prepared everything, see the
-"Howto github"_Howto_github.html doc page for instructions on how to
+"Using GitHub with LAMMPS Howto"_Howto_github.html doc page for instructions on how to
 submit your changes or new files through a GitHub pull request. If you
 prefer to submit patches or full files, you should first make certain,
 that your code works correctly with the latest patch-level version of
-LAMMPS and contains all bugfixes from it. Then create a gzipped tar
+LAMMPS and contains all bug fixes from it. Then create a gzipped tar
 file of all changed or added files or a corresponding patch file using
 'diff -u' or 'diff -c' and compress it with gzip. Please only use gzip
 compression, as this works well on all platforms.
diff --git a/doc/src/Modify_pair.txt b/doc/src/Modify_pair.txt
index 0ebf2daa30..40806937d6 100644
--- a/doc/src/Modify_pair.txt
+++ b/doc/src/Modify_pair.txt
@@ -10,7 +10,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c
 Pair styles :h3
 
 Classes that compute pairwise interactions are derived from the Pair
-class.  In LAMMPS, pairwise calculation include manybody potentials
+class.  In LAMMPS, pairwise calculation include many-body potentials
 such as EAM or Tersoff where particles interact without a static bond
 topology.  New styles can be created to add new pair potentials to
 LAMMPS.
diff --git a/doc/src/Modify_region.txt b/doc/src/Modify_region.txt
index cdf192323a..c7a56bd32a 100644
--- a/doc/src/Modify_region.txt
+++ b/doc/src/Modify_region.txt
@@ -20,6 +20,6 @@ Here is a brief description of methods you define in your new derived
 class.  See region.h for details.
 
 inside: determine whether a point is in the region
-surface_interior: determine if a point is within a cutoff distance inside of surc
-surface_exterior: determine if a point is within a cutoff distance outside of surf
+surface_interior: determine if a point is within a cutoff distance inside of surface
+surface_exterior: determine if a point is within a cutoff distance outside of surface
 shape_update : change region shape if set by time-dependent variable :tb(s=:)
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index 55c7dec828..d6a3e17866 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -494,7 +494,7 @@ MANYBODY package :link(PKG-MANYBODY),h4
 
 [Contents:]
 
-A variety of manybody and bond-order potentials.  These include
+A variety of many-body and bond-order potentials.  These include
 (AI)REBO, BOP, EAM, EIM, Stillinger-Weber, and Tersoff potentials.
 
 [Supporting info:]
@@ -518,7 +518,7 @@ MC package :link(PKG-MC),h4
 Several fixes and a pair style that have Monte Carlo (MC) or MC-like
 attributes.  These include fixes for creating, breaking, and swapping
 bonds, for performing atomic swaps, and performing grand-canonical MC
-(GCMC) in conjuction with dynamics.
+(GCMC) in conjunction with dynamics.
 
 [Supporting info:]
 
diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt
index de7984f3c0..077a7ce69d 100644
--- a/doc/src/Packages_user.txt
+++ b/doc/src/Packages_user.txt
@@ -38,8 +38,8 @@ int = internal library: provided with LAMMPS, but you may need to build it
 ext = external library: you will need to download and install it on your machine :ul
 
 Package, Description, Doc page, Example, Library
-"USER-ATC"_Packages_details.html#PKG-USER-ATC, atom-to-continuum coupling, "fix atc"_fix_atc.html, USER/atc, int
-"USER-AWPMD"_Packages_details.html#PKG-USER-AWPMD, wave-packet MD, "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, int
+"USER-ATC"_Packages_details.html#PKG-USER-ATC, Atom-to-Continuum coupling, "fix atc"_fix_atc.html, USER/atc, int
+"USER-AWPMD"_Packages_details.html#PKG-USER-AWPMD, wave packet MD, "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, int
 "USER-BOCS"_Packages_details.html#PKG-USER-BOCS, BOCS bottom up coarse graining, "fix bocs"_fix_bocs.html, USER/bocs, no
 "USER-CGDNA"_Packages_details.html#PKG-USER-CGDNA, coarse-grained DNA force fields, src/USER-CGDNA/README, USER/cgdna, no
 "USER-CGSDK"_Packages_details.html#PKG-USER-CGSDK, SDK coarse-graining model, "pair_style lj/sdk"_pair_sdk.html, USER/cgsdk, no
diff --git a/doc/src/Python_call.txt b/doc/src/Python_call.txt
index 3c382de1ba..34b04679d5 100644
--- a/doc/src/Python_call.txt
+++ b/doc/src/Python_call.txt
@@ -79,7 +79,7 @@ of Python and your machine to successfully build LAMMPS.  See the
 lib/python/README file for more info.
 
 If you want to write Python code with callbacks to LAMMPS, then you
-must also follow the steps overviewed in the "Python
+must also follow the steps summarized in the "Python
 run"_Python_run.html doc page.  I.e. you must build LAMMPS as a shared
 library and insure that Python can find the python/lammps.py file and
 the shared library.
diff --git a/doc/src/Python_examples.txt b/doc/src/Python_examples.txt
index f4b2197464..13ef99bdf2 100644
--- a/doc/src/Python_examples.txt
+++ b/doc/src/Python_examples.txt
@@ -46,7 +46,7 @@ http://mt.seas.upenn.edu/Archive/Graphics/A3/A3.html :pre
 :link(atomeye,http://mt.seas.upenn.edu/Archive/Graphics/A)
 :link(atomeye3,http://mt.seas.upenn.edu/Archive/Graphics/A3/A3.html)
 
-The latter link is to AtomEye 3 which has the scriping
+The latter link is to AtomEye 3 which has the scripting
 capability needed by these Python scripts.
 
 Note that for PyMol, you need to have built and installed the
diff --git a/doc/src/Speed.txt b/doc/src/Speed.txt
index dd2052bac1..28aef26a5d 100644
--- a/doc/src/Speed.txt
+++ b/doc/src/Speed.txt
@@ -19,7 +19,7 @@ using code options that implement alternate algorithms that can
 speed-up a simulation.  The second is to use one of the several
 accelerator packages provided with LAMMPS that contain code optimized
 for certain kinds of hardware, including multi-core CPUs, GPUs, and
-Intel Xeon Phi coprocessors.
+Intel Xeon Phi co-processors.
 
 The "Benchmark page"_http://lammps.sandia.gov/bench.html of the LAMMPS
 web site gives performance results for the various accelerator
diff --git a/doc/src/Speed_intel.txt b/doc/src/Speed_intel.txt
index 6f9f3dfcaf..7ff8d73ae9 100644
--- a/doc/src/Speed_intel.txt
+++ b/doc/src/Speed_intel.txt
@@ -14,11 +14,11 @@ Corporation.  It provides two methods for accelerating simulations,
 depending on the hardware you have.  The first is acceleration on
 Intel CPUs by running in single, mixed, or double precision with
 vectorization.  The second is acceleration on Intel Xeon Phi
-coprocessors via offloading neighbor list and non-bonded force
+co-processors via offloading neighbor list and non-bonded force
 calculations to the Phi.  The same C++ code is used in both cases.
-When offloading to a coprocessor from a CPU, the same routine is run
+When offloading to a co-processor from a CPU, the same routine is run
 twice, once on the CPU and once with an offload flag. This allows
-LAMMPS to run on the CPU cores and coprocessor cores simultaneously.
+LAMMPS to run on the CPU cores and co-processor cores simultaneously.
 
 [Currently Available USER-INTEL Styles:]
 
@@ -47,7 +47,7 @@ These are scalable in size; the results given are with 512K
 particles (524K for Liquid Crystal). Most of the simulations are
 standard LAMMPS benchmarks (indicated by the filename extension in
 parenthesis) with modifications to the run length and to add a
-warmup run (for use with offload benchmarks).
+warm-up run (for use with offload benchmarks).
 
 :c,image(JPG/user_intel.png)
 
@@ -134,19 +134,19 @@ Do not use thread affinity (set KMP_AFFINITY=none) :l
 The "newton off" setting may provide better scalability :l
 :ule
 
-For Intel Xeon Phi coprocessors (Offload):
+For Intel Xeon Phi co-processors (Offload):
 
-Edit src/MAKE/OPTIONS/Makefile.intel_coprocessor as necessary :ulb,l
+Edit src/MAKE/OPTIONS/Makefile.intel_co-processor as necessary :ulb,l
 "-pk intel N omp 1" added to command-line where N is the number of
-coprocessors per node. :l
+co-processors per node. :l
 :ule
 
 :line
 
 [Required hardware/software:]
 
-In order to use offload to coprocessors, an Intel Xeon Phi
-coprocessor and an Intel compiler are required. For this, the
+In order to use offload to co-processors, an Intel Xeon Phi
+co-processor and an Intel compiler are required. For this, the
 recommended version of the Intel compiler is 14.0.1.106 or
 versions 15.0.2.044 and higher.
 
@@ -214,7 +214,7 @@ Makefile.intel_cpu_intelmpi # Intel Compiler, Intel MPI, No Offload
 Makefile.knl                # Intel Compiler, Intel MPI, No Offload
 Makefile.intel_cpu_mpich    # Intel Compiler, MPICH, No Offload
 Makefile.intel_cpu_openpmi  # Intel Compiler, OpenMPI, No Offload
-Makefile.intel_coprocessor  # Intel Compiler, Intel MPI, Offload :pre
+Makefile.intel_co-processor  # Intel Compiler, Intel MPI, Offload :pre
 
 Makefile.knl is identical to Makefile.intel_cpu_intelmpi except that
 it explicitly specifies that vectorization should be for Intel Xeon
@@ -227,9 +227,9 @@ source /opt/intel/parallel_studio_xe_2016.3.067/psxevars.sh
 # or psxevars.csh for C-shell
 make intel_cpu_intelmpi :pre
 
-Note that if you build with support for a Phi coprocessor, the same
-binary can be used on nodes with or without coprocessors installed.
-However, if you do not have coprocessors on your system, building
+Note that if you build with support for a Phi co-processor, the same
+binary can be used on nodes with or without co-processors installed.
+However, if you do not have co-processors on your system, building
 without offload support will produce a smaller binary.
 
 The general requirements for Makefiles with the USER-INTEL package
@@ -272,7 +272,7 @@ Advanced performance tuning options are also described below to get
 the best performance.
 
 When running on a single node (including runs using offload to a
-coprocessor), best performance is normally obtained by using 1 MPI
+co-processor), best performance is normally obtained by using 1 MPI
 task per physical core and additional OpenMP threads with SMT. For
 Intel Xeon processors, 2 OpenMP threads should be used for SMT.
 For Intel Xeon Phi CPUs, 2 or 4 OpenMP threads should be used
@@ -290,7 +290,7 @@ NOTE: Setting core affinity is often used to pin MPI tasks and OpenMP
 threads to a core or group of cores so that memory access can be
 uniform. Unless disabled at build time, affinity for MPI tasks and
 OpenMP threads on the host (CPU) will be set by default on the host
-{when using offload to a coprocessor}. In this case, it is unnecessary
+{when using offload to a co-processor}. In this case, it is unnecessary
 to use other methods to control affinity (e.g. taskset, numactl,
 I_MPI_PIN_DOMAIN, etc.). This can be disabled with the {no_affinity}
 option to the "package intel"_package.html command or by disabling the
@@ -310,15 +310,15 @@ editing the input script. This switch will automatically append
 options for the USER-INTEL package.  The default package command will
 specify that USER-INTEL calculations are performed in mixed precision,
 that the number of OpenMP threads is specified by the OMP_NUM_THREADS
-environment variable, and that if coprocessors are present and the
-binary was built with offload support, that 1 coprocessor per node
+environment variable, and that if co-processors are present and the
+binary was built with offload support, that 1 co-processor per node
 will be used with automatic balancing of work between the CPU and the
-coprocessor.
+co-processor.
 
 You can specify different options for the USER-INTEL package by using
 the "-pk intel Nphi" "command-line switch"_Run_options.html with
 keyword/value pairs as specified in the documentation. Here, Nphi = #
-of Xeon Phi coprocessors/node (ignored without offload
+of Xeon Phi co-processors/node (ignored without offload
 support). Common options to the USER-INTEL package include {omp} to
 override any OMP_NUM_THREADS setting and specify the number of OpenMP
 threads, {mode} to set the floating-point precision mode, and {lrt} to
@@ -332,7 +332,7 @@ Examples (see documentation for your MPI/Machine for differences in
 launching MPI applications):
 
 mpirun -np 72 -ppn 36 lmp_machine -sf intel -in in.script                                 # 2 nodes, 36 MPI tasks/node, $OMP_NUM_THREADS OpenMP Threads
-mpirun -np 72 -ppn 36 lmp_machine -sf intel -in in.script -pk intel 0 omp 2 mode double   # Don't use any coprocessors that might be available, use 2 OpenMP threads for each task, use double precision :pre
+mpirun -np 72 -ppn 36 lmp_machine -sf intel -in in.script -pk intel 0 omp 2 mode double   # Don't use any co-processors that might be available, use 2 OpenMP threads for each task, use double precision :pre
 
 [Or run with the USER-INTEL package by editing an input script:]
 
@@ -364,7 +364,7 @@ intel"_package.html command that can improve performance when using
 "PPPM"_kspace_style.html for long-range electrostatics on processors
 with SMT. It generates an extra pthread for each MPI task. The thread
 is dedicated to performing some of the PPPM calculations and MPI
-communications. This feature requires setting the preprocessor flag
+communications. This feature requires setting the pre-processor flag
 -DLMP_INTEL_USELRT in the makefile when compiling LAMMPS. It is unset
 in the default makefiles ({Makefile.mpi} and {Makefile.serial}) but
 it is set in all makefiles tuned for the USER-INTEL package.  On Intel
@@ -422,29 +422,29 @@ that MPI runs are performed in MCDRAM.
 
 The default settings for offload should give good performance.
 
-When using LAMMPS with offload to Intel coprocessors, best performance
+When using LAMMPS with offload to Intel co-processors, best performance
 will typically be achieved with concurrent calculations performed on
-both the CPU and the coprocessor. This is achieved by offloading only
-a fraction of the neighbor and pair computations to the coprocessor or
+both the CPU and the co-processor. This is achieved by offloading only
+a fraction of the neighbor and pair computations to the co-processor or
 using "hybrid"_pair_hybrid.html pair styles where only one style uses
 the "intel" suffix. For simulations with long-range electrostatics or
 bond, angle, dihedral, improper calculations, computation and data
-transfer to the coprocessor will run concurrently with computations
+transfer to the co-processor will run concurrently with computations
 and MPI communications for these calculations on the host CPU. This
 is illustrated in the figure below for the rhodopsin protein benchmark
 running on E5-2697v2 processors with a Intel Xeon Phi 7120p
-coprocessor. In this plot, the vertical access is time and routines
+co-processor. In this plot, the vertical access is time and routines
 running at the same time are running concurrently on both the host and
-the coprocessor.
+the co-processor.
 
 :c,image(JPG/offload_knc.png)
 
 The fraction of the offloaded work is controlled by the {balance}
 keyword in the "package intel"_package.html command. A balance of 0
 runs all calculations on the CPU.  A balance of 1 runs all
-supported calculations on the coprocessor.  A balance of 0.5 runs half
-of the calculations on the coprocessor.  Setting the balance to -1
-(the default) will enable dynamic load balancing that continously
+supported calculations on the co-processor.  A balance of 0.5 runs half
+of the calculations on the co-processor.  Setting the balance to -1
+(the default) will enable dynamic load balancing that continuously
 adjusts the fraction of offloaded work throughout the simulation.
 Because data transfer cannot be timed, this option typically produces
 results within 5 to 10 percent of the optimal fixed balance.
@@ -455,23 +455,23 @@ near-optimal setting that will carry over to additional runs.
 
 The default for the "package intel"_package.html command is to have
 all the MPI tasks on a given compute node use a single Xeon Phi
-coprocessor.  In general, running with a large number of MPI tasks on
+co-processor.  In general, running with a large number of MPI tasks on
 each node will perform best with offload.  Each MPI task will
 automatically get affinity to a subset of the hardware threads
-available on the coprocessor.  For example, if your card has 61 cores,
+available on the co-processor.  For example, if your card has 61 cores,
 with 60 cores available for offload and 4 hardware threads per core
 (240 total threads), running with 24 MPI tasks per node will cause
-each MPI task to use a subset of 10 threads on the coprocessor.  Fine
+each MPI task to use a subset of 10 threads on the co-processor.  Fine
 tuning of the number of threads to use per MPI task or the number of
 threads to use per core can be accomplished with keyword settings of
 the "package intel"_package.html command.
 
 The USER-INTEL package has two modes for deciding which atoms will be
-handled by the coprocessor.  This choice is controlled with the {ghost}
+handled by the co-processor.  This choice is controlled with the {ghost}
 keyword of the "package intel"_package.html command.  When set to 0,
 ghost atoms (atoms at the borders between MPI tasks) are not offloaded
 to the card.  This allows for overlap of MPI communication of forces
-with computation on the coprocessor when the "newton"_newton.html
+with computation on the co-processor when the "newton"_newton.html
 setting is "on".  The default is dependent on the style being used,
 however, better performance may be achieved by setting this option
 explicitly.
@@ -482,21 +482,21 @@ cores.  This is due to the fact that additional threads are generated
 internally to handle the asynchronous offload tasks.
 
 If pair computations are being offloaded to an Intel Xeon Phi
-coprocessor, a diagnostic line is printed to the screen (not to the
+co-processor, a diagnostic line is printed to the screen (not to the
 log file), during the setup phase of a run, indicating that offload
-mode is being used and indicating the number of coprocessor threads
+mode is being used and indicating the number of co-processor threads
 per MPI task.  Additionally, an offload timing summary is printed at
 the end of each run.  When offloading, the frequency for "atom
 sorting"_atom_modify.html is changed to 1 so that the per-atom data is
 effectively sorted at every rebuild of the neighbor lists. All the
-available coprocessor threads on each Phi will be divided among MPI
+available co-processor threads on each Phi will be divided among MPI
 tasks, unless the {tptask} option of the "-pk intel" "command-line
-switch"_Run_options.html is used to limit the coprocessor threads per
+switch"_Run_options.html is used to limit the co-processor threads per
 MPI task.
 
 [Restrictions:]
 
-When offloading to a coprocessor, "hybrid"_pair_hybrid.html styles
+When offloading to a co-processor, "hybrid"_pair_hybrid.html styles
 that require skip lists for neighbor builds cannot be offloaded.
 Using "hybrid/overlay"_pair_hybrid.html is allowed.  Only one intel
 accelerated style may be used with hybrid styles when offloading.
diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt
index 3373982e9f..0a24753a9f 100644
--- a/doc/src/Speed_kokkos.txt
+++ b/doc/src/Speed_kokkos.txt
@@ -17,7 +17,7 @@ different back end languages such as CUDA, OpenMP, or Pthreads.  The
 Kokkos library also provides data abstractions to adjust (at compile
 time) the memory layout of data structures like 2d and 3d arrays to
 optimize performance on different hardware. For more information on
-Kokkos, see "Github"_https://github.com/kokkos/kokkos. Kokkos is part
+Kokkos, see "GitHub"_https://github.com/kokkos/kokkos. Kokkos is part
 of "Trilinos"_http://trilinos.sandia.gov/packages/kokkos. The Kokkos
 library was written primarily by Carter Edwards, Christian Trott, and
 Dan Sunderland (all Sandia).
@@ -193,7 +193,7 @@ threads/task as Nt. The product of these two values should be N, i.e.
 NOTE: The default for the "package kokkos"_package.html command is to
 use "full" neighbor lists and set the Newton flag to "off" for both
 pairwise and bonded interactions. When running on KNL, this will
-typically be best for pair-wise potentials. For manybody potentials,
+typically be best for pair-wise potentials. For many-body potentials,
 using "half" neighbor lists and setting the Newton flag to "on" may be
 faster. It can also be faster to use non-threaded communication.  Use
 the "-pk kokkos" "command-line switch"_Run_options.html to change the
@@ -207,7 +207,7 @@ mpirun -np 64 lmp_kokkos_phi -k on t 4 -sf kk -pk kokkos newton on neigh half co
 NOTE: MPI tasks and threads should be bound to cores as described
 above for CPUs.
 
-NOTE: To build with Kokkos support for Intel Xeon Phi coprocessors
+NOTE: To build with Kokkos support for Intel Xeon Phi co-processors
 such as Knight's Corner (KNC), your system must be configured to use
 them in "native" mode, not "offload" mode like the USER-INTEL package
 supports.
diff --git a/doc/src/Speed_packages.txt b/doc/src/Speed_packages.txt
index 4c87091e7e..2f72a46b3a 100644
--- a/doc/src/Speed_packages.txt
+++ b/doc/src/Speed_packages.txt
@@ -14,7 +14,7 @@ Accelerated versions of various "pair_style"_pair_style.html,
 been added to LAMMPS, which will typically run faster than the
 standard non-accelerated versions.  Some require appropriate hardware
 to be present on your system, e.g. GPUs or Intel Xeon Phi
-coprocessors.
+co-processors.
 
 All of these commands are in packages provided with LAMMPS.  An
 overview of packages is give on the "Packages"_Packages.html doc
@@ -161,7 +161,7 @@ package. These styles support vectorized single and mixed precision
 calculations, in addition to full double precision.  In extreme cases,
 this can provide speedups over 3.5x on CPUs.  The package also
 supports acceleration in "offload" mode to Intel(R) Xeon Phi(TM)
-coprocessors.  This can result in additional speedup over 2x depending
+co-processors.  This can result in additional speedup over 2x depending
 on the hardware configuration. :l
 
 Styles with a "kk" suffix are part of the KOKKOS package, and can be
diff --git a/doc/src/Tools.txt b/doc/src/Tools.txt
index a9ad5032ce..1ec4969620 100644
--- a/doc/src/Tools.txt
+++ b/doc/src/Tools.txt
@@ -163,7 +163,7 @@ for the "chain benchmark"_Speed_bench.html.
 
 colvars tools :h4,link(colvars)
 
-The colvars directory contains a collection of tools for postprocessing
+The colvars directory contains a collection of tools for post-processing
 data produced by the colvars collective variable library.
 To compile the tools, edit the makefile for your system and run "make".
 
@@ -406,15 +406,15 @@ supports it.  It has its own WWW page at
 msi2lmp tool :h4,link(msi)
 
 The msi2lmp sub-directory contains a tool for creating LAMMPS template
-input and data files from BIOVIA's Materias Studio files (formerly Accelrys'
-Insight MD code, formerly MSI/Biosym and its Discover MD code).
+input and data files from BIOVIA's Materias Studio files (formerly
+Accelrys' Insight MD code, formerly MSI/Biosym and its Discover MD code).
 
 This tool was written by John Carpenter (Cray), Michael Peachey
 (Cray), and Steve Lustig (Dupont). Several people contributed changes
 to remove bugs and adapt its output to changes in LAMMPS.
 
 This tool has several known limitations and is no longer under active
-development, so there are no changes except for the occasional bugfix.
+development, so there are no changes except for the occasional bug fix.
 
 See the README file in the tools/msi2lmp folder for more information.
 
diff --git a/doc/src/angle_sdk.txt b/doc/src/angle_sdk.txt
index 22238880fe..9382d560d3 100644
--- a/doc/src/angle_sdk.txt
+++ b/doc/src/angle_sdk.txt
@@ -28,7 +28,7 @@ The {sdk} angle style is a combination of the harmonic angle potential,
 where theta0 is the equilibrium value of the angle and K a prefactor,
 with the {repulsive} part of the non-bonded {lj/sdk} pair style
 between the atoms 1 and 3.  This angle potential is intended for
-coarse grained MD simulations with the CMM parametrization using the
+coarse grained MD simulations with the CMM parameterization using the
 "pair_style lj/sdk"_pair_sdk.html.  Relative to the pair_style
 {lj/sdk}, however, the energy is shifted by {epsilon}, to avoid sudden
 jumps.  Note that the usual 1/2 factor is included in K.
diff --git a/doc/src/atom_style.txt b/doc/src/atom_style.txt
index db2e285dc4..ff714e31d9 100644
--- a/doc/src/atom_style.txt
+++ b/doc/src/atom_style.txt
@@ -87,7 +87,7 @@ quantities.
 {line} | end points, angular velocity | rigid bodies |
 {meso} | rho, e, cv | SPH particles |
 {molecular} | bonds, angles, dihedrals, impropers | uncharged molecules |
-{peri} | mass, volume | mesocopic Peridynamic models |
+{peri} | mass, volume | mesoscopic Peridynamic models |
 {smd} | volume, kernel diameter, contact radius, mass | solid and fluid SPH particles |
 {sphere} | diameter, mass, angular velocity | granular models |
 {spin} | magnetic moment | system with magnetic particles |
diff --git a/doc/src/balance.txt b/doc/src/balance.txt
index 49202b0149..3afc469a39 100644
--- a/doc/src/balance.txt
+++ b/doc/src/balance.txt
@@ -247,7 +247,7 @@ to {Niter} times.  After each dimension finishes, the imbalance factor
 is re-computed, and the balancing operation halts if the {stopthresh}
 criterion is met.
 
-A rebalance operation in a single dimension is performed using a
+A re-balance operation in a single dimension is performed using a
 recursive multisectioning algorithm, where the position of each
 cutting plane (line in 2d) in the dimension is adjusted independently.
 This is similar to a recursive bisectioning for a single value, except
@@ -261,11 +261,11 @@ information, so that they become closer together over time.  Thus as
 the recursion progresses, the count of particles on either side of the
 plane gets closer to the target value.
 
-Once the rebalancing is complete and final processor sub-domains
+Once the re-balancing is complete and final processor sub-domains
 assigned, particles are migrated to their new owning processor, and
 the balance procedure ends.
 
-NOTE: At each rebalance operation, the bisectioning for each cutting
+NOTE: At each re-balance operation, the bisectioning for each cutting
 plane (line in 2d) typically starts with low and high bounds separated
 by the extent of a processor's sub-domain in one dimension.  The size
 of this bracketing region shrinks by 1/2 every iteration.  Thus if
@@ -348,7 +348,7 @@ specified groups, its weight is not changed.  If it belongs to
 multiple groups, its weight is the product of the weight factors.
 
 This weight style is useful in combination with pair style
-"hybrid"_pair_hybrid.html, e.g. when combining a more costly manybody
+"hybrid"_pair_hybrid.html, e.g. when combining a more costly many-body
 potential with a fast pair-wise potential.  It is also useful when
 using "run_style respa"_run_style.html where some portions of the
 system have many bonded interactions and others none.  It assumes that
diff --git a/doc/src/bond_oxdna.txt b/doc/src/bond_oxdna.txt
index 724951f961..88afe435e6 100644
--- a/doc/src/bond_oxdna.txt
+++ b/doc/src/bond_oxdna.txt
@@ -52,7 +52,7 @@ hydrogen-bonding interaction {oxdna/hbond} (see also documentation of
 "(Snodin)"_#oxdna2 bond style the analogous pair styles and an
 additional Debye-Hueckel pair style {oxdna2/dh} have to be defined.
 The coefficients in the above example have to be kept fixed and cannot
-be changed without reparametrizing the entire model.
+be changed without reparameterizing the entire model.
 
 Example input and data files for DNA duplexes can be found in
 examples/USER/cgdna/examples/oxDNA/ and /oxDNA2/.  A simple python
diff --git a/doc/src/comm_modify.txt b/doc/src/comm_modify.txt
index 489278523b..482259142b 100644
--- a/doc/src/comm_modify.txt
+++ b/doc/src/comm_modify.txt
@@ -154,6 +154,6 @@ Communication mode {multi} is currently only available for
 
 [Default:]
 
-The option defauls are mode = single, group = all, cutoff = 0.0, vel =
+The option defaults are mode = single, group = all, cutoff = 0.0, vel =
 no.  The cutoff default of 0.0 means that ghost cutoff = neighbor
 cutoff = pairwise force cutoff + neighbor skin.
diff --git a/doc/src/compute_adf.txt b/doc/src/compute_adf.txt
index 3d0646e294..20b9fad3f6 100644
--- a/doc/src/compute_adf.txt
+++ b/doc/src/compute_adf.txt
@@ -33,22 +33,22 @@ keyword = {ordinate} :l
 
 compute 1 fluid adf 32 1 1 1 0.0 1.2 0.0 1.2 &
                        1 1 2 0.0 1.2 0.0 1.5 &
-                       1 2 2 0.0 1.5 0.0 1.5 & 
+                       1 2 2 0.0 1.5 0.0 1.5 &
                        2 1 1 0.0 1.2 0.0 1.2 &
                        2 1 2 0.0 1.5 2.0 3.5 &
-                       2 2 2 2.0 3.5 2.0 3.5  
+                       2 2 2 2.0 3.5 2.0 3.5
 compute 1 fluid adf 32 1*2 1*2 1*2 0.5 3.5
 compute 1 fluid adf 32 :pre
 
 [Description:]
 
 Define a computation that calculates one or more angular distribution functions
-(ADF) for a group of particles.  Each ADF is calculated in histogram form 
+(ADF) for a group of particles.  Each ADF is calculated in histogram form
 by measuring the angle formed by a central atom and two neighbor atoms and
 binning these angles into {Nbin} bins.
 Only neighbors for which {Rinner} < {R} < {Router} are counted, where
 {Rinner} and {Router} are specified separately for the first and second
-neighbor atom in each requested ADF. 
+neighbor atom in each requested ADF.
 
 NOTE: If you have a bonded system, then the settings of
 "special_bonds"_special_bonds.html command can remove pairwise
@@ -66,18 +66,18 @@ the dump file.  The rerun script can use a
 "special_bonds"_special_bonds.html command that includes all pairs in
 the neighbor list.
 
-NOTE: If you request any outer cutoff {Router} > force cutoff, or if no 
+NOTE: If you request any outer cutoff {Router} > force cutoff, or if no
 pair style is defined,  e.g. the "rerun"_rerun.html command is being used to
-post-process a dump file of snapshots you must insure ghost atom information 
-out to the largest value of {Router} + {skin} is communicated, via the 
-"comm_modify cutoff"_comm_modify.html command, else the ADF computation 
-cannot be performed, and LAMMPS will give an error message.  The {skin} value 
-is what is specified with the "neighbor"_neighbor.html command.  
+post-process a dump file of snapshots you must insure ghost atom information
+out to the largest value of {Router} + {skin} is communicated, via the
+"comm_modify cutoff"_comm_modify.html command, else the ADF computation
+cannot be performed, and LAMMPS will give an error message.  The {skin} value
+is what is specified with the "neighbor"_neighbor.html command.
 
 The {itypeN},{jtypeN},{ktypeN} settings can be specified in one of two
 ways.  An explicit numeric value can be used, as in the 1st example
 above.  Or a wild-card asterisk can be used to specify a range of atom
-types as in the 2nd example above.  
+types as in the 2nd example above.
 This takes the form "*" or "*n" or "n*" or "m*n".  If N = the
 number of atom types, then an asterisk with no numeric values means
 all types from 1 to N.  A leading asterisk means all types from 1 to n
@@ -88,13 +88,13 @@ all types from 1 to N.  A leading asterisk means all types from 1 to n
 If {itypeN}, {jtypeN}, and {ktypeN} are single values, as in the 1st example
 above, this means that the ADF is computed where atoms of type {itypeN}
 are the central atom, and neighbor atoms of type {jtypeN} and {ktypeN}
-are forming the angle.  If any of {itypeN}, {jtypeN}, or {ktypeN} 
+are forming the angle.  If any of {itypeN}, {jtypeN}, or {ktypeN}
 represent a range of values via
 the wild-card asterisk, as in the 2nd example above, this means that the
 ADF is computed where atoms of any of the range of types represented
 by {itypeN} are the central atom, and the angle is formed by two neighbors,
-one neighbor in the range of types represented by {jtypeN} and another neighbor 
-in the range of types represented by {ktypeN}. 
+one neighbor in the range of types represented by {jtypeN} and another neighbor
+in the range of types represented by {ktypeN}.
 
 If no {itypeN}, {jtypeN}, {ktypeN} settings are specified, then
 LAMMPS will generate a single ADF for all atoms in the group.
@@ -106,13 +106,13 @@ Such an ADF is both uninformative and
 extremely expensive to compute.  For example, with liquid water
 with a 10 A force cutoff, there are 80,000 angles per atom.
 In addition, most of the interesting angular structure occurs for
-neighbors that are the closest to the central atom, involving 
+neighbors that are the closest to the central atom, involving
 just a few dozen angles.
 
-Angles for each ADF are generated by double-looping over the list of 
-neighbors of each central atom I, 
-just as they would be in the force calculation for 
-a threebody potential such as "Stillinger-Weber"_pair_sw.html.  
+Angles for each ADF are generated by double-looping over the list of
+neighbors of each central atom I,
+just as they would be in the force calculation for
+a three-body potential such as "Stillinger-Weber"_pair_sw.html.
 The angle formed by central atom I and neighbor atoms J and K is included in an
 ADF if the following criteria are met:
 
@@ -121,12 +121,12 @@ the distance between atoms I,J is between Rjinner and Rjouter
 the distance between atoms I,K is between Rkinner and Rkouter
 the type of the I atom matches itypeN (one or a range of types)
 atoms I,J,K are distinct
-the type of the J atom matches jtypeN (one or a range of types) 
+the type of the J atom matches jtypeN (one or a range of types)
 the type of the K atom matches ktypeN (one or a range of types) :ul
 
 Each unique angle satisfying the above criteria is counted only once, regardless
 of whether either or both of the neighbor atoms making up the
-angle appear in both the J and K lists. 
+angle appear in both the J and K lists.
 It is OK if a particular angle is included in more than
 one individual histogram, due to the way the {itypeN}, {jtypeN}, {ktypeN}
 arguments are specified.
@@ -146,15 +146,15 @@ number radial distribution function.
 
 The {ordinate} optional keyword determines
 whether the bins are of uniform angular size from zero
-to 180 ({degree}), zero to Pi ({radian}), or the 
+to 180 ({degree}), zero to Pi ({radian}), or the
 cosine of the angle uniform in the range \[-1,1\] ({cosine}).
 {cosine} has the advantage of eliminating the {acos()} function
 call, which speeds up the compute by 2-3x, and it is also preferred
-on physical grounds, because the for uniformly distributed particles 
+on physical grounds, because the for uniformly distributed particles
 in 3D, the angular probability density w.r.t dtheta is
-sin(theta)/2, while for d(cos(theta)), it is 1/2,  
-Regardless of which ordinate is chosen, the first column of ADF 
-values is normalized w.r.t. the range of that ordinate, so that 
+sin(theta)/2, while for d(cos(theta)), it is 1/2,
+Regardless of which ordinate is chosen, the first column of ADF
+values is normalized w.r.t. the range of that ordinate, so that
 the integral is 1.
 
 The simplest way to output the results of the compute adf calculation
@@ -170,7 +170,7 @@ This compute calculates a global array with the number of rows =
 {Nbins}, and the number of columns = 1 + 2*Ntriples, where Ntriples is the
 number of I,J,K triples specified.  The first column has the bin
 coordinate (angle-related ordinate at midpoint of bin). Each subsequent column has
-the two ADF values for a specific set of ({itypeN},{jtypeN},{ktypeN}) 
+the two ADF values for a specific set of ({itypeN},{jtypeN},{ktypeN})
 interactions, as described above.  These values can be used
 by any command that uses a global values from a compute as input.  See
 the "Howto output"_Howto_output.html doc page for an overview of
@@ -181,15 +181,15 @@ The array values calculated by this compute are all "intensive".
 The first column of array values is the angle-related ordinate, either
 the angle in degrees or radians, or the cosine of the angle.  Each
 subsequent pair of columns gives the first and second kinds of ADF
-for a specific set of ({itypeN},{jtypeN},{ktypeN}). The values 
+for a specific set of ({itypeN},{jtypeN},{ktypeN}). The values
 in the first ADF column are normalized numbers >= 0.0,
 whose integral w.r.t. the ordinate is 1,
-i.e. the first ADF is a normalized probability distribution. 
+i.e. the first ADF is a normalized probability distribution.
 The values in the second ADF column are also numbers >= 0.0.
 They are the cumulative density distribution of angles per atom.
 By definition, this ADF is monotonically increasing from zero to
 a maximum value equal to the average total number of
-angles per atom satisfying the ADF criteria. 
+angles per atom satisfying the ADF criteria.
 
 [Restrictions:]
 
@@ -200,7 +200,7 @@ distances, you can use the "rerun"_rerun.html command to post-process
 a dump file and set the cutoff for the potential to be longer in the
 rerun script.  Note that in the rerun context, the force cutoff is
 arbitrary, since you aren't running dynamics and thus are not changing
-your model.  
+your model.
 
 [Related commands:]
 
diff --git a/doc/src/compute_bond_local.txt b/doc/src/compute_bond_local.txt
index 4afd1aec40..6055d28770 100644
--- a/doc/src/compute_bond_local.txt
+++ b/doc/src/compute_bond_local.txt
@@ -68,7 +68,7 @@ in the bond, which is simply 1/2 m1 v1^2 + 1/2 m2 v2^2, where v1 and
 v2 are the magnitude of the velocity of the 2 atoms along the bond
 direction, after the COM velocity has been subtracted from each.
 
-The value {engrot} is the rotationsl kinetic energy of the two atoms
+The value {engrot} is the rotational kinetic energy of the two atoms
 in the bond, which is simply 1/2 m1 v1^2 + 1/2 m2 v2^2, where v1 and
 v2 are the magnitude of the velocity of the 2 atoms perpendicular to
 the bond direction, after the COM velocity has been subtracted from
diff --git a/doc/src/compute_chunk_atom.txt b/doc/src/compute_chunk_atom.txt
index c29a5600a9..b924f90da8 100644
--- a/doc/src/compute_chunk_atom.txt
+++ b/doc/src/compute_chunk_atom.txt
@@ -210,7 +210,7 @@ between {crmin} and {crmax}.  For example, if {crmin} = 1.0 and
 {crmax} = 10.0 and {ncbin} = 9, then the first bin spans 1.0 < r <
 2.0, and the last bin spans 9.0 < r 10.0.  The geometry of the bins in
 the radial dimensions is the same whether the simulation box is
-orthogonal or triclinic; i.e. the concetric circles are not tilted or
+orthogonal or triclinic; i.e. the concentric circles are not tilted or
 scaled differently in the two different dimensions to transform them
 into ellipses.
 
diff --git a/doc/src/compute_cna_atom.txt b/doc/src/compute_cna_atom.txt
index d69c5e9c46..56ad7dd715 100644
--- a/doc/src/compute_cna_atom.txt
+++ b/doc/src/compute_cna_atom.txt
@@ -33,7 +33,7 @@ Currently, there are five kinds of CNA patterns LAMMPS recognizes:
 fcc = 1
 hcp = 2
 bcc = 3
-icosohedral = 4
+icosahedral = 4
 unknown = 5 :ul
 
 The value of the CNA pattern will be 0 for atoms not in the specified
diff --git a/doc/src/compute_damage_atom.txt b/doc/src/compute_damage_atom.txt
index 2594dfe356..c3e822d79f 100644
--- a/doc/src/compute_damage_atom.txt
+++ b/doc/src/compute_damage_atom.txt
@@ -26,7 +26,7 @@ in a group.  This is a quantity relevant for "Peridynamics
 models"_pair_peri.html.  See "this document"_PDF/PDLammps_overview.pdf
 for an overview of LAMMPS commands for Peridynamics modeling.
 
-The "damage" of a Peridymaics particles is based on the bond breakage
+The "damage" of a Peridynamics particles is based on the bond breakage
 between the particle and its neighbors.  If all the bonds are broken
 the particle is considered to be fully damaged.
 
diff --git a/doc/src/compute_displace_atom.txt b/doc/src/compute_displace_atom.txt
index 7cea62c7b3..141d0cc51b 100644
--- a/doc/src/compute_displace_atom.txt
+++ b/doc/src/compute_displace_atom.txt
@@ -57,7 +57,7 @@ correctly with time=0 atom coordinates from the restart file.
 
 :line
 
-The {refresh} option can be used in conjuction with the "dump_modify
+The {refresh} option can be used in conjunction with the "dump_modify
 refresh" command to generate incremental dump files.
 
 The definition and motivation of an incremental dump file is as
diff --git a/doc/src/compute_msd.txt b/doc/src/compute_msd.txt
index b54e05bc64..50f8b103d3 100644
--- a/doc/src/compute_msd.txt
+++ b/doc/src/compute_msd.txt
@@ -50,7 +50,7 @@ The value of the displacement will be
 
 If the {com} option is set to {yes} then the effect of any drift in
 the center-of-mass of the group of atoms is subtracted out before the
-displacment of each atom is calculated.
+displacement of each atom is calculated.
 
 If the {average} option is set to {yes} then the reference position of
 an atom is based on the average position of that atom, corrected for
diff --git a/doc/src/compute_msd_nongauss.txt b/doc/src/compute_msd_nongauss.txt
index c6e89a1061..c22b458178 100644
--- a/doc/src/compute_msd_nongauss.txt
+++ b/doc/src/compute_msd_nongauss.txt
@@ -48,7 +48,7 @@ others.
 
 If the {com} option is set to {yes} then the effect of any drift in
 the center-of-mass of the group of atoms is subtracted out before the
-displacment of each atom is calculated.
+displacement of each atom is calculated.
 
 See the "compute msd"_compute_msd.html doc page for further important
 NOTEs, which also apply to this compute.
diff --git a/doc/src/compute_pair.txt b/doc/src/compute_pair.txt
index b36d61f71c..1ced6eecfc 100644
--- a/doc/src/compute_pair.txt
+++ b/doc/src/compute_pair.txt
@@ -15,7 +15,7 @@ compute ID group-ID pair pstyle \[nstyle\] \[evalue\]  :pre
 ID, group-ID are documented in "compute"_compute.html command :ulb,l
 pair = style name of this compute command :l
 pstyle = style name of a pair style that calculates additional values :l
-nsub = {n}-instance of a substyle, if a pair style is used multiple times in a hybrid style :l
+nsub = {n}-instance of a sub-style, if a pair style is used multiple times in a hybrid style :l
 {evalue} = {epair} or {evdwl} or {ecoul} or blank (optional) :l
 :ule
 
diff --git a/doc/src/compute_plasticity_atom.txt b/doc/src/compute_plasticity_atom.txt
index b82179712a..6c21cecd6c 100644
--- a/doc/src/compute_plasticity_atom.txt
+++ b/doc/src/compute_plasticity_atom.txt
@@ -30,7 +30,7 @@ The plasticity for a Peridynamic particle is the so-called consistency
 parameter (lambda).  For elastic deformation lambda = 0, otherwise
 lambda > 0 for plastic deformation.  For details, see
 "(Mitchell)"_#Mitchell and the PDF doc included in the LAMMPS
-distro in "doc/PDF/PDLammps_EPS.pdf"_PDF/PDLammps_EPS.pdf.
+distribution in "doc/PDF/PDLammps_EPS.pdf"_PDF/PDLammps_EPS.pdf.
 
 This command can be invoked for one of the Peridynamic "pair
 styles"_pair_peri.html: peri/eps.
diff --git a/doc/src/compute_pressure.txt b/doc/src/compute_pressure.txt
index 6acbaf7d3d..bd6e38e392 100644
--- a/doc/src/compute_pressure.txt
+++ b/doc/src/compute_pressure.txt
@@ -40,7 +40,7 @@ below), Kb is the Boltzmann constant, T is the temperature, d is the
 dimensionality of the system (2 or 3 for 2d/3d), and V is the system
 volume (or area in 2d).  The second term is the virial, equal to
 -dU/dV, computed for all pairwise as well as 2-body, 3-body, 4-body,
-manybody, and long-range interactions, where r_i and f_i are the
+many-body, and long-range interactions, where r_i and f_i are the
 position and force vector of atom i, and the black dot indicates a dot
 product.  When periodic boundary conditions are used, N' necessarily
 includes periodic image (ghost) atoms outside the central box, and the
@@ -68,7 +68,7 @@ compute temperature or ke and/or the virial.  The {virial} keyword
 means include all terms except the kinetic energy {ke}.
 
 Details of how LAMMPS computes the virial efficiently for the entire
-system, including for manybody potentials and accounting for the
+system, including for many-body potentials and accounting for the
 effects of periodic boundary conditions are discussed in
 "(Thompson)"_#Thompson1.
 
diff --git a/doc/src/compute_pressure_cylinder.txt b/doc/src/compute_pressure_cylinder.txt
index 4865fe8a79..f4312e67bc 100644
--- a/doc/src/compute_pressure_cylinder.txt
+++ b/doc/src/compute_pressure_cylinder.txt
@@ -58,7 +58,7 @@ This compute currently calculates the pressure tensor contributions
 for pair styles only (i.e. no bond, angle, dihedral, etc. contributions
 and in the presence of bonded interactions, the result will be incorrect
 due to exclusions for special bonds)  and requires pair-wise force
-calculations not available for most manybody pair styles. K-space
+calculations not available for most many-body pair styles. K-space
 calculations are also excluded. Note that this pressure compute outputs
 the configurational terms only; the kinetic contribution is not included
 and may be calculated from the number density output by P_kin=density*k*T.
diff --git a/doc/src/compute_reduce.txt b/doc/src/compute_reduce.txt
index 0bd2accf3c..1e9cc651e1 100644
--- a/doc/src/compute_reduce.txt
+++ b/doc/src/compute_reduce.txt
@@ -61,7 +61,7 @@ or {max} options find the minimum or maximum value across all vector
 values.  The {ave} setting adds the vector values into a global total,
 then divides by the number of values in the vector.  The {sumsq}
 option sums the square of the values in the vector into a global
-total.  The {avesq} setting does the same as {sumsq}, then divdes the
+total.  The {avesq} setting does the same as {sumsq}, then divides the
 sum of squares by the number of values.  The last two options can be
 useful for calculating the variance of some quantity, e.g. variance =
 sumsq - ave^2.
diff --git a/doc/src/compute_reduce_chunk.txt b/doc/src/compute_reduce_chunk.txt
index 3628c0f1ad..f19ed00c6a 100644
--- a/doc/src/compute_reduce_chunk.txt
+++ b/doc/src/compute_reduce_chunk.txt
@@ -137,7 +137,7 @@ compute micelle all chunk/atom c_spread compress yes :pre
 Further analysis on a per-micelle basis can now be performed using any
 of the per-chunk computes listed on the "Howto chunk"_Howto_chunk.html
 doc page.  E.g. count the number of atoms in each micelle, calculate
-its center or mass, shape (moments of intertia), radius of gyration,
+its center or mass, shape (moments of inertia), radius of gyration,
 etc.
 
 compute prop all property/chunk micelle count
diff --git a/doc/src/compute_smd_hourglass_error.txt b/doc/src/compute_smd_hourglass_error.txt
index 5bc3e3a2de..28f1f351a8 100644
--- a/doc/src/compute_smd_hourglass_error.txt
+++ b/doc/src/compute_smd_hourglass_error.txt
@@ -29,7 +29,7 @@ within the neighborhood of the central node and the deformation
 gradient, the approximated relative separation will coincide with the
 actual relative separation of the particles i and j in the deformed
 configuration.  This compute is only really useful for debugging the
-hourglass control mechanim which is part of the Total-Lagrangian SPH
+hourglass control mechanism which is part of the Total-Lagrangian SPH
 pair style.
 
 See "this PDF guide"_PDF/SMD_LAMMPS_userguide.pdf to use Smooth
diff --git a/doc/src/compute_smd_tlsph_defgrad.txt b/doc/src/compute_smd_tlsph_defgrad.txt
index a733a3d6a7..bdd3a26a8f 100644
--- a/doc/src/compute_smd_tlsph_defgrad.txt
+++ b/doc/src/compute_smd_tlsph_defgrad.txt
@@ -30,7 +30,7 @@ Mach Dynamics in LAMMPS.
 
 [Output info:]
 
-This compute outputss a per-particle vector of vectors (tensors),
+This compute outputs a per-particle vector of vectors (tensors),
 which can be accessed by any command that uses per-particle values
 from a compute as input. See the "Howto output"_Howto_output.html doc
 page for an overview of LAMMPS output options.
diff --git a/doc/src/compute_smd_tlsph_shape.txt b/doc/src/compute_smd_tlsph_shape.txt
index 9c17194ec1..0ecfec0187 100644
--- a/doc/src/compute_smd_tlsph_shape.txt
+++ b/doc/src/compute_smd_tlsph_shape.txt
@@ -38,7 +38,7 @@ overview of LAMMPS output options.
 
 The per-particle vector has 7 entries. The first three entries
 correspond to the lengths of the ellipsoid's axes and have units of
-length.  These axis valus are computed as the contact radius times the
+length.  These axis values are computed as the contact radius times the
 xx, yy, or zz components of the Green-Lagrange strain tensor
 associated with the particle.  The next 4 values are quaternions
 (order: q, x, y, z) which describe the spatial rotation of the
diff --git a/doc/src/compute_stress_atom.txt b/doc/src/compute_stress_atom.txt
index 222513da61..d81d97061c 100644
--- a/doc/src/compute_stress_atom.txt
+++ b/doc/src/compute_stress_atom.txt
@@ -73,9 +73,9 @@ Note that the stress for each atom is due to its interaction with all
 other atoms in the simulation, not just with other atoms in the group.
 
 Details of how LAMMPS computes the virial for individual atoms for
-either pairwise or manybody potentials, and including the effects of
+either pairwise or many-body potentials, and including the effects of
 periodic boundary conditions is discussed in "(Thompson)"_#Thompson2.
-The basic idea for manybody potentials is to treat each component of
+The basic idea for many-body potentials is to treat each component of
 the force computation between a small cluster of atoms in the same
 manner as in the formula above for bond, angle, dihedral, etc
 interactions.  Namely the quantity R dot F is summed over the atoms in
diff --git a/doc/src/compute_tally.txt b/doc/src/compute_tally.txt
index a4a8441f9e..6401be54e9 100644
--- a/doc/src/compute_tally.txt
+++ b/doc/src/compute_tally.txt
@@ -47,7 +47,7 @@ the based classes of LAMMPS.
 The pairwise contributions are computing via a callback that the
 compute registers with the non-bonded pairwise force computation.
 This limits the use to systems that have no bonds, no Kspace, and no
-manybody interactions. On the other hand, the computation does not
+many-body interactions. On the other hand, the computation does not
 have to compute forces or energies a second time and thus can be much
 more efficient. The callback mechanism allows to write more complex
 pairwise property computations.
diff --git a/doc/src/compute_temp_asphere.txt b/doc/src/compute_temp_asphere.txt
index eb73891e82..0b06ae0b48 100644
--- a/doc/src/compute_temp_asphere.txt
+++ b/doc/src/compute_temp_asphere.txt
@@ -60,7 +60,7 @@ same.  If it does not rotate around the axis perpendicular to its
 circular cross section, then it should have 5 dof instead of 6 in 3d.
 The latter is the case for uniaxial ellipsoids in a "GayBerne
 model"_pair_gayberne.html since there is no induced torque around the
-optical axis.  It will also be the case for biaxial ellipsoids when
+optical axis.  It will also be the case for bi-axial ellipsoids when
 exactly two of the semiaxes have the same length and the corresponding
 relative well depths are equal.
 
diff --git a/doc/src/compute_temp_chunk.txt b/doc/src/compute_temp_chunk.txt
index de8c850a70..30dda79caf 100644
--- a/doc/src/compute_temp_chunk.txt
+++ b/doc/src/compute_temp_chunk.txt
@@ -118,7 +118,7 @@ or "fix rigid"_fix_rigid.html.  This is because those degrees of
 freedom (e.g. a constrained bond) could apply to sets of atoms that
 are both included and excluded from a specific chunk, and hence the
 concept is somewhat ill-defined.  In some cases, you can use the
-{adof} and {cdof} keywords to adjust the calculated degress of freedom
+{adof} and {cdof} keywords to adjust the calculated degrees of freedom
 appropriately, as explained below.
 
 Note that the per-chunk temperature calculated by this compute and the
diff --git a/doc/src/compute_temp_cs.txt b/doc/src/compute_temp_cs.txt
index 0236319f54..5fc939e375 100644
--- a/doc/src/compute_temp_cs.txt
+++ b/doc/src/compute_temp_cs.txt
@@ -74,7 +74,7 @@ relative to the COM velocity of the core/shell pair.  If this compute
 is used with a fix command that performs thermostatting then this bias
 will be subtracted from each atom, thermostatting of the remaining COM
 velocity will be performed, and the bias will be added back in.  This
-means the thermostating will effectively be performed on the
+means the thermostatting will effectively be performed on the
 core/shell pairs, instead of on the individual core and shell atoms.
 Thermostatting fixes that work in this way include "fix
 nvt"_fix_nh.html, "fix temp/rescale"_fix_temp_rescale.html, "fix
diff --git a/doc/src/create_box.txt b/doc/src/create_box.txt
index 0993b4f927..cc57c96f93 100644
--- a/doc/src/create_box.txt
+++ b/doc/src/create_box.txt
@@ -58,7 +58,7 @@ edge vectors starting from the origin given by A = (xhi-xlo,0,0); B =
 (xy,yhi-ylo,0); C = (xz,yz,zhi-zlo).  {Xy,xz,yz} can be 0.0 or
 positive or negative values and are called "tilt factors" because they
 are the amount of displacement applied to faces of an originally
-orthogonal box to transform it into the parallelipiped.
+orthogonal box to transform it into the parallelepiped.
 
 By default, a {prism} region used with the create_box command must
 have tilt factors (xy,xz,yz) that do not skew the box more than half
diff --git a/doc/src/dihedral_charmm.txt b/doc/src/dihedral_charmm.txt
index 637a10102d..043188466a 100644
--- a/doc/src/dihedral_charmm.txt
+++ b/doc/src/dihedral_charmm.txt
@@ -41,7 +41,7 @@ field.
 NOTE: The newer {charmmfsw} style was released in March 2017.  We
 recommend it be used instead of the older {charmm} style when running
 a simulation with the CHARMM force field, either with long-range
-Coulombics or a Coulomb cutoff, via the "pair_style
+Coulombics or a Coulombic cutoff, via the "pair_style
 lj/charmmfsw/coul/long"_pair_charmm.html and "pair_style
 lj/charmmfsw/coul/charmmfsh"_pair_charmm.html commands respectively.
 Otherwise the older {charmm} style is fine to use.  See the discussion
@@ -87,7 +87,7 @@ special_bonds 1-4 scaling factor to 0.0 (which is the
 default). Otherwise 1-4 non-bonded interactions in dihedrals will be
 computed twice.
 
-For simulations using the CHARMM force field with a Coulomb cutoff,
+For simulations using the CHARMM force field with a Coulombic cutoff,
 the difference between the {charmm} and {charmmfsw} styles is in the
 computation of the 1-4 non-bond interactions, though only if the
 distance between the two atoms is within the switching region of the
diff --git a/doc/src/dump_h5md.txt b/doc/src/dump_h5md.txt
index a3849f103c..6e9e7284df 100644
--- a/doc/src/dump_h5md.txt
+++ b/doc/src/dump_h5md.txt
@@ -17,7 +17,7 @@ group-ID = ID of the group of atoms to be imaged :l
 h5md = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
 N = dump every this many timesteps :l
 file.h5 = name of file to write to :l
-args = list of data elements to dump, with their dump "subintervals"
+args = list of data elements to dump, with their dump "sub-intervals"
   position options
   image
   velocity options
@@ -63,7 +63,7 @@ another particle group must specify {create_group yes}.
 :link(h5md,http://nongnu.org/h5md/)
 
 Each data element is written every N*N_element steps. For {image}, no
-subinterval is needed as it must be present at the same interval as
+sub-interval is needed as it must be present at the same interval as
 {position}.  {image} must be given after {position} in any case.  The
 box information (edges in each dimension) is stored at the same
 interval than the {position} element, if present. Else it is stored
@@ -76,7 +76,7 @@ written to a dump file may be slightly outside the simulation box.
 [Use from write_dump:]
 
 It is possible to use this dump style with the
-"write_dump"_write_dump.html command.  In this case, the subintervals
+"write_dump"_write_dump.html command.  In this case, the sub-intervals
 must not be set at all.  The write_dump command can be used either to
 create a new file or to add current data to an existing dump file by
 using the {file_from} keyword.
diff --git a/doc/src/dump_image.txt b/doc/src/dump_image.txt
index df1ff324c1..2b10e9f230 100644
--- a/doc/src/dump_image.txt
+++ b/doc/src/dump_image.txt
@@ -541,10 +541,11 @@ a) Use the ImageMagick convert program. :ulb,l
 % convert *.jpg foo.gif
 % convert -loop 1 *.ppm foo.mpg :pre
 
-Animated GIF files from ImageMagick are unoptimized. You can use a
-program like gifsicle to optimize and massively shrink them.
-MPEG files created by ImageMagick are in MPEG-1 format with rather
-inefficient compression and low quality.
+Animated GIF files from ImageMagick are not optimized. You can use
+a program like gifsicle to optimize and thus massively shrink them.
+MPEG files created by ImageMagick are in MPEG-1 format with a rather
+inefficient compression and low quality compared to more modern
+compression styles like MPEG-4, H.264, VP8, VP9, H.265 and so on.
 
 b) Use QuickTime. :l
 
@@ -564,7 +565,7 @@ allows extremely flexible encoding and decoding of movies.
 cat snap.*.jpg | ffmpeg -y -f image2pipe -c:v mjpeg -i - -b:v 2000k movie.m4v
 cat snap.*.ppm | ffmpeg -y -f image2pipe -c:v ppm -i - -b:v 2400k movie.avi :pre
 
-Frontends for FFmpeg exist for multiple platforms. For more
+Front ends for FFmpeg exist for multiple platforms. For more
 information see the "FFmpeg homepage"_http://www.ffmpeg.org/
 
 :ule
diff --git a/doc/src/dump_modify.txt b/doc/src/dump_modify.txt
index 72f4935916..464caf714f 100644
--- a/doc/src/dump_modify.txt
+++ b/doc/src/dump_modify.txt
@@ -201,7 +201,7 @@ atom type (1 to Ntype) in the simulation.  The same element name can
 be given to multiple atom types.
 
 In the case of {xyz} format dumps, there are no restrictions to what
-label can be used as an element name.  Any whitespace separated text
+label can be used as an element name.  Any white-space separated text
 will be accepted.
 
 :link(atomeye,http://mt.seas.upenn.edu/Archive/Graphics/A)
@@ -667,7 +667,7 @@ command, when its atom diameter setting is {type}, to set the size
 that atoms of each type will be drawn in the image.  The specified
 {type} should be an integer from 1 to Ntypes.  As with the {acolor}
 keyword, a wildcard asterisk can be used as part of the {type}
-argument to specify a range of atomt types.  The specified {diam} is
+argument to specify a range of atom types.  The specified {diam} is
 the size in whatever distance "units"_units.html the input script is
 using, e.g. Angstroms.
 
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 1a216319b0..d5ce600cb6 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -202,7 +202,7 @@ accelerated styles exist.
 "dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
 "edpd/source"_fix_dpd_source.html - 
 "efield"_fix_efield.html - impose electric field on system
-"ehex"_fix_ehex.html - ehanced heat exchange algorithm
+"ehex"_fix_ehex.html - enhanced heat exchange algorithm
 "enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force
 "eos/cv"_fix_eos_cv.html - 
 "eos/table"_fix_eos_table.html - 
diff --git a/doc/src/fix_append_atoms.txt b/doc/src/fix_append_atoms.txt
index d83f265982..860be9c9fa 100644
--- a/doc/src/fix_append_atoms.txt
+++ b/doc/src/fix_append_atoms.txt
@@ -28,7 +28,7 @@ keyword = {basis} or {size} or {freq} or {temp} or {random} or {units}  :l
     target = target temperature for the region between zhi-extent and zhi (temperature units)
     damp = damping parameter (time units)
     seed = random number seed for langevin kicks
-    extent = extent of thermostated region (distance units)
+    extent = extent of thermostatted region (distance units)
   {random} args = xmax ymax zmax seed
     {xmax}, {ymax}, {zmax} = maximum displacement in particular direction (distance units)
     {seed} = random number seed for random displacement
@@ -68,7 +68,7 @@ be added.
 The {random} keyword will give the atoms random displacements around
 their lattice points to simulate some initial temperature.
 
-The {temp} keyword will cause a region to be thermostated with a
+The {temp} keyword will cause a region to be thermostatted with a
 Langevin thermostat on the zhi boundary.  The size of the region is
 measured from zhi and is set with the {extent} argument.
 
diff --git a/doc/src/fix_ave_chunk.txt b/doc/src/fix_ave_chunk.txt
index d331e51295..4e036367e2 100644
--- a/doc/src/fix_ave_chunk.txt
+++ b/doc/src/fix_ave_chunk.txt
@@ -240,7 +240,7 @@ shake"_fix_shake.html or "fix rigid"_fix_rigid.html.  This is because
 those degrees of freedom (e.g. a constrained bond) could apply to sets
 of atoms that are both included and excluded from a specific chunk,
 and hence the concept is somewhat ill-defined.  In some cases, you can
-use the {adof} and {cdof} keywords to adjust the calculated degress of
+use the {adof} and {cdof} keywords to adjust the calculated degrees of
 freedom appropriately, as explained below.
 
 Also note that a bias can be subtracted from atom velocities before
diff --git a/doc/src/fix_ave_time.txt b/doc/src/fix_ave_time.txt
index a53e318d3f..cca881f2f8 100644
--- a/doc/src/fix_ave_time.txt
+++ b/doc/src/fix_ave_time.txt
@@ -133,7 +133,7 @@ fix 2 all ave/time 100 1 100 c_myRDF\[1\] c_myRDF\[2\] c_myRDF\[3\] file tmp2.rd
 The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
 timesteps the input values will be used in order to contribute to the
 average.  The final averaged quantities are generated on timesteps
-that are a mlutiple of {Nfreq}.  The average is over {Nrepeat}
+that are a multiple of {Nfreq}.  The average is over {Nrepeat}
 quantities, computed in the preceding portion of the simulation every
 {Nevery} timesteps.  {Nfreq} must be a multiple of {Nevery} and
 {Nevery} must be non-zero even if {Nrepeat} is 1.  Also, the timesteps
diff --git a/doc/src/fix_balance.txt b/doc/src/fix_balance.txt
index 77ad13033e..516df3ff64 100644
--- a/doc/src/fix_balance.txt
+++ b/doc/src/fix_balance.txt
@@ -57,7 +57,7 @@ This command adjusts the size and shape of processor sub-domains
 within the simulation box, to attempt to balance the number of
 particles and thus the computational cost (load) evenly across
 processors.  The load balancing is "dynamic" in the sense that
-rebalancing is performed periodically during the simulation.  To
+re-balancing is performed periodically during the simulation.  To
 perform "static" balancing, before or between runs, see the
 "balance"_balance.html command.
 
@@ -178,15 +178,15 @@ The {group-ID} is ignored.  However the impact of balancing on
 different groups of atoms can be affected by using the {group} weight
 style as described below.
 
-The {Nfreq} setting determines how often a rebalance is performed.  If
-{Nfreq} > 0, then rebalancing will occur every {Nfreq} steps.  Each
-time a rebalance occurs, a reneighboring is triggered, so {Nfreq}
-should not be too small.  If {Nfreq} = 0, then rebalancing will be
+The {Nfreq} setting determines how often a re-balance is performed.  If
+{Nfreq} > 0, then re-balancing will occur every {Nfreq} steps.  Each
+time a re-balance occurs, a reneighboring is triggered, so {Nfreq}
+should not be too small.  If {Nfreq} = 0, then re-balancing will be
 done every time reneighboring normally occurs, as determined by the
 the "neighbor"_neighbor.html and "neigh_modify"_neigh_modify.html
 command settings.
 
-On rebalance steps, rebalancing will only be attempted if the current
+On re-balance steps, re-balancing will only be attempted if the current
 imbalance factor, as defined above, exceeds the {thresh} setting.
 
 :line
@@ -208,7 +208,7 @@ to {Niter} times.  After each dimension finishes, the imbalance factor
 is re-computed, and the balancing operation halts if the {stopthresh}
 criterion is met.
 
-A rebalance operation in a single dimension is performed using a
+A re-balance operation in a single dimension is performed using a
 density-dependent recursive multisectioning algorithm, where the
 position of each cutting plane (line in 2d) in the dimension is
 adjusted independently.  This is similar to a recursive bisectioning
@@ -226,19 +226,19 @@ the recursion progresses, the count of particles on either side of the
 plane gets closer to the target value.
 
 The density-dependent part of this algorithm is often an advantage
-when you rebalance a system that is already nearly balanced.  It
+when you re-balance a system that is already nearly balanced.  It
 typically converges more quickly than the geometric bisectioning
 algorithm used by the "balance"_balance.html command.  However, if can
-be a disadvantage if you attempt to rebalance a system that is far
+be a disadvantage if you attempt to re-balance a system that is far
 from balanced, and converge more slowly.  In this case you probably
 want to use the "balance"_balance.html command before starting a run,
 so that you begin the run with a balanced system.
 
-Once the rebalancing is complete and final processor sub-domains
+Once the re-balancing is complete and final processor sub-domains
 assigned, particles migrate to their new owning processor as part of
 the normal reneighboring procedure.
 
-NOTE: At each rebalance operation, the bisectioning for each cutting
+NOTE: At each re-balance operation, the bisectioning for each cutting
 plane (line in 2d) typically starts with low and high bounds separated
 by the extent of a processor's sub-domain in one dimension.  The size
 of this bracketing region shrinks based on the local density, as
@@ -248,7 +248,7 @@ typically be positioned to better than 1 part in 1000 accuracy
 (relative to the perfect target position).  For {Niter} = 20, it will
 be accurate to better than 1 part in a million.  Thus there is no need
 to set {Niter} to a large value.  This is especially true if you are
-rebalancing often enough that each time you expect only an incremental
+re-balancing often enough that each time you expect only an incremental
 adjustment in the cutting planes is necessary.  LAMMPS will check if
 the threshold accuracy is reached (in a dimension) is less iterations
 than {Niter} and exit early.
@@ -283,7 +283,7 @@ in that sub-box.
 :line
 
 The {out} keyword writes text to the specified {filename} with the
-results of each rebalancing operation.  The file contains the bounds
+results of each re-balancing operation.  The file contains the bounds
 of the sub-domain for each processor after the balancing operation
 completes.  The format of the file is compatible with the
 "Pizza.py"_pizza {mdump} tool which has support for manipulating and
@@ -344,13 +344,13 @@ files"_restart.html.  None of the "fix_modify"_fix_modify.html options
 are relevant to this fix.
 
 This fix computes a global scalar which is the imbalance factor
-after the most recent rebalance and a global vector of length 3 with
-additional information about the most recent rebalancing.  The 3
+after the most recent re-balance and a global vector of length 3 with
+additional information about the most recent re-balancing.  The 3
 values in the vector are as follows:
 
 1 = max # of particles per processor
-2 = total # iterations performed in last rebalance
-3 = imbalance factor right before the last rebalance was performed :ul
+2 = total # iterations performed in last re-balance
+3 = imbalance factor right before the last re-balance was performed :ul
 
 As explained above, the imbalance factor is the ratio of the maximum
 number of particles (or total weight) on any processor to the average
diff --git a/doc/src/fix_bocs.txt b/doc/src/fix_bocs.txt
index b7d4e7badf..cbcd1138d3 100644
--- a/doc/src/fix_bocs.txt
+++ b/doc/src/fix_bocs.txt
@@ -91,7 +91,7 @@ package"_Build_package.html doc page for more info.
 [Related:]
 
 For more details about the pressure correction and the entire BOCS software 
-package, visit the "BOCS package on github"_bocsgithub and read the release 
+package, visit the "BOCS package on GitHub"_bocsgithub and read the release 
 paper by Dunn et. al. "(Dunn2)"_#bocs-Dunn2 .
 
 
diff --git a/doc/src/fix_bond_break.txt b/doc/src/fix_bond_break.txt
index 5927ceb4e5..bde0beae02 100644
--- a/doc/src/fix_bond_break.txt
+++ b/doc/src/fix_bond_break.txt
@@ -101,7 +101,7 @@ NOTE: Breaking a bond typically alters the energy of a system.  You
 should be careful not to choose bond breaking criteria that induce a
 dramatic change in energy.  For example, if you define a very stiff
 harmonic bond and break it when 2 atoms are separated by a distance
-far from the equilibribum bond length, then the 2 atoms will be
+far from the equilibrium bond length, then the 2 atoms will be
 dramatically released when the bond is broken.  More generally, you
 may need to thermostat your system to compensate for energy changes
 resulting from broken bonds (and angles, dihedrals, impropers).
diff --git a/doc/src/fix_bond_create.txt b/doc/src/fix_bond_create.txt
index de1a9f93f1..e78a283ece 100644
--- a/doc/src/fix_bond_create.txt
+++ b/doc/src/fix_bond_create.txt
@@ -139,8 +139,8 @@ for "extra angle per atom", "extra dihedral per atom", and "extra
 improper per atom" if angles, dihedrals, or impropers are being added
 when bonds are created.  See the "read_data"_read_data.html or
 "create_box"_create_box.html command for more details.  Note that a
-data file with no atoms can be used if you wish to add unbonded atoms
-via the "create atoms"_create_atoms.html command, e.g. for a
+data file with no atoms can be used if you wish to add non-bonded
+atoms via the "create atoms"_create_atoms.html command, e.g. for a
 percolation simulation.
 
 NOTE: LAMMPS stores and maintains a data structure with a list of the
@@ -196,7 +196,7 @@ NOTE: Creating a bond typically alters the energy of a system.  You
 should be careful not to choose bond creation criteria that induce a
 dramatic change in energy.  For example, if you define a very stiff
 harmonic bond and create it when 2 atoms are separated by a distance
-far from the equilibribum bond length, then the 2 atoms will oscillate
+far from the equilibrium bond length, then the 2 atoms will oscillate
 dramatically when the bond is formed.  More generally, you may need to
 thermostat your system to compensate for energy changes resulting from
 created bonds (and angles, dihedrals, impropers).
diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt
index 55a5785f7f..c0d47f5f89 100644
--- a/doc/src/fix_bond_react.txt
+++ b/doc/src/fix_bond_react.txt
@@ -79,7 +79,7 @@ probabilistic criteria to effect predetermined topology changes in
 simulations using standard force fields.
 
 This fix was created to facilitate the dynamic creation of polymeric,
-amorphous or highly-crosslinked systems. A suggested workflow for
+amorphous or highly cross-linked systems. A suggested workflow for
 using this fix is: 1) identify a reaction to be simulated 2) build a
 molecule template of the reaction site before the reaction has
 occurred 3) build a molecule template of the reaction site after the
diff --git a/doc/src/fix_bond_swap.txt b/doc/src/fix_bond_swap.txt
index 3c90bb53f6..9a4e7c2b55 100644
--- a/doc/src/fix_bond_swap.txt
+++ b/doc/src/fix_bond_swap.txt
@@ -84,7 +84,7 @@ the molecule IDs for your polymer chains in a certain way, typically
 in the data file, read by the "read_data"_read_data.html command.
 Consider a system of 6-mer chains.  You have 2 choices.  If the
 molecule IDs for monomers on each chain are set to 1,2,3,4,5,6 then
-swaps will conserve chain length.  For a particular momoner there will
+swaps will conserve chain length.  For a particular monomer there will
 be only one other monomer on another chain which is a potential swap
 partner.  If the molecule IDs for monomers on each chain are set to
 1,2,3,3,2,1 then swaps will conserve chain length but swaps will be
diff --git a/doc/src/fix_client_md.txt b/doc/src/fix_client_md.txt
index 77f6b82c5e..6828731021 100644
--- a/doc/src/fix_client_md.txt
+++ b/doc/src/fix_client_md.txt
@@ -51,7 +51,7 @@ md"_server_md.html doc page.
 Note that when using LAMMPS as an MD client, your LAMMPS input script
 should not normally contain force field commands, like a
 "pair_style"_pair_style.html, "bond_style"_bond_style.html, or
-"kspace_style"_kspace_style.html commmand.  However it is possible for
+"kspace_style"_kspace_style.html command.  However it is possible for
 a server code to only compute a portion of the full force-field, while
 LAMMPS computes the remaining part.  Your LAMMPS script can also
 specify boundary conditions or force constraints in the usual way,
diff --git a/doc/src/fix_cmap.txt b/doc/src/fix_cmap.txt
index ef48e8b51c..aef565e89e 100644
--- a/doc/src/fix_cmap.txt
+++ b/doc/src/fix_cmap.txt
@@ -24,12 +24,12 @@ fix_modify     myCMAP energy yes :pre
 
 [Description:]
 
-This command enables CMAP crossterms to be added to simulations which
+This command enables CMAP cross-terms to be added to simulations which
 use the CHARMM force field.  These are relevant for any CHARMM model
 of a peptide or protein sequences that is 3 or more amino-acid
 residues long; see "(Buck)"_#Buck and "(Brooks)"_#Brooks2 for details,
 including the analytic energy expressions for CMAP interactions.  The
-CMAP crossterms add additional potential energy contributions to pairs
+CMAP cross-terms add additional potential energy contributions to pairs
 of overlapping phi-psi dihedrals of amino-acids, which are important
 to properly represent their conformational behavior.
 
@@ -49,7 +49,7 @@ in its header section:
 
 N crossterms :pre
 
-where N is the number of CMAP crossterms.  It should also have a section
+where N is the number of CMAP cross-terms.  It should also have a section
 in the body of the data file like this with N lines:
 
 CMAP :pre
@@ -69,7 +69,7 @@ sections match those specified in the read_data command following the
 data file name; see the "read_data"_read_data.html doc page for
 more details.
 
-A data file containing CMAP crossterms can be generated from a PDB
+A data file containing CMAP cross-terms can be generated from a PDB
 file using the charmm2lammps.pl script in the tools/ch2lmp directory
 of the LAMMPS distribution.  The script must be invoked with the
 optional "-cmap" flag to do this; see the tools/ch2lmp/README file for
@@ -87,7 +87,7 @@ the note below about how to include the CMAP energy when performing an
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
-This fix writes the list of CMAP crossterms to "binary restart
+This fix writes the list of CMAP cross-terms to "binary restart
 files"_restart.html.  See the "read_restart"_read_restart.html command
 for info on how to re-specify a fix in an input script that reads a
 restart file, so that the operation of the fix continues in an
diff --git a/doc/src/fix_colvars.txt b/doc/src/fix_colvars.txt
index d702fb264e..d9eb9ac5aa 100644
--- a/doc/src/fix_colvars.txt
+++ b/doc/src/fix_colvars.txt
@@ -81,7 +81,7 @@ the image flags to reconstruct the absolute atom positions.
 Setting this to {no} will use the current local coordinates that are
 wrapped back into the simulation cell at each re-neighboring instead.
 
-The {tstat} keyword can be either NULL or the label of a thermostating
+The {tstat} keyword can be either NULL or the label of a thermostatting
 fix that thermostats all atoms in the fix colvars group. This will be
 used to provide the colvars module with the current thermostat target
 temperature.
diff --git a/doc/src/fix_deposit.txt b/doc/src/fix_deposit.txt
index 265f43bd4b..fd12d4bb45 100644
--- a/doc/src/fix_deposit.txt
+++ b/doc/src/fix_deposit.txt
@@ -255,7 +255,7 @@ temperature compute you are using.
 
 This fix writes the state of the deposition to "binary restart
 files"_restart.html.  This includes information about how many
-particles have been depositied, the random number generator seed, the
+particles have been deposited, the random number generator seed, the
 next timestep for deposition, etc.  See the
 "read_restart"_read_restart.html command for info on how to re-specify
 a fix in an input script that reads a restart file, so that the
diff --git a/doc/src/fix_drude_transform.txt b/doc/src/fix_drude_transform.txt
index 2135c0bd4f..a102368b5c 100644
--- a/doc/src/fix_drude_transform.txt
+++ b/doc/src/fix_drude_transform.txt
@@ -91,8 +91,8 @@ different temperatures, two Nose-Hoover thermostats must be defined,
 acting on two distinct groups.
 
 NOTE: The {fix drude/transform/direct} command must appear before any
-Nose-Hoover thermostating fixes.  The {fix drude/transform/inverse}
-command must appear after any Nose-Hoover thermostating fixes.
+Nose-Hoover thermostatting fixes.  The {fix drude/transform/inverse}
+command must appear after any Nose-Hoover thermostatting fixes.
 
 Example:
 
@@ -106,8 +106,8 @@ thermo_style custom step cpu etotal ke pe ebond ecoul elong press vol temp c_TDR
 
 In this example, {gCORES} is the group of the atom cores and {gDRUDES}
 is the group of the Drude particles (electrons). The centers of mass
-of the Drude oscillators will be thermostated at 300.0 and the
-internal degrees of freedom will be thermostated at 1.0.  The
+of the Drude oscillators will be thermostatted at 300.0 and the
+internal degrees of freedom will be thermostatted at 1.0.  The
 temperatures of cores and Drude particles, in center-of-mass and
 relative coordinates, are calculated using "compute
 temp/drude"_compute_temp_drude.html
@@ -130,8 +130,8 @@ fix fINVERSE all drude/transform/inverse :pre
 
 In this example, {gCORES} is the group of the atom cores and {gDRUDES}
 is the group of the Drude particles. The centers of mass of the Drude
-oscillators will be thermostated at 298.0 and the internal degrees of
-freedom will be thermostated at 5.0. The whole system will be
+oscillators will be thermostatted at 298.0 and the internal degrees of
+freedom will be thermostatted at 5.0. The whole system will be
 barostatted at 1.0.
 
 In order to avoid the flying ice cube problem (irreversible transfer
diff --git a/doc/src/fix_ehex.txt b/doc/src/fix_ehex.txt
index 75651e21a4..79cfce4b01 100644
--- a/doc/src/fix_ehex.txt
+++ b/doc/src/fix_ehex.txt
@@ -80,9 +80,9 @@ position to the respective reservoir. The quantity
 \(F_\{\Gamma_\{k(\mathbf r_i)\}\}\) corresponds to the input parameter
 {F}, which is the energy flux into the reservoir. Furthermore,
 \(K_\{\Gamma_\{k(\mathbf r_i)\}\}\) and \(v_\{\Gamma_\{k(\mathbf r_i)\}\}\)
-denote the non-translational kinetic energy and the centre of mass
+denote the non-translational kinetic energy and the center of mass
 velocity of that reservoir. The thermostatting force does not affect
-the centre of mass velocities of the individual reservoirs and the
+the center of mass velocities of the individual reservoirs and the
 entire simulation box. A derivation of the equations and details on
 the numerical implementation with velocity Verlet in LAMMPS can be
 found in reference "(Wirnsberger)"#_Wirnsberger.
@@ -116,10 +116,10 @@ specified in the input script and the keyword {constrain} is set, the
 bond distances will be corrected a second time at the end of the
 integration step.  It is recommended to specify the keyword {com} in
 addition to the keyword {constrain}. With this option all sites of a
-constrained cluster are rescaled, if its centre of mass is located
+constrained cluster are rescaled, if its center of mass is located
 inside the region. Rescaling all sites of a cluster by the same factor
 does not introduce any velocity components along fixed bonds. No
-rescaling takes place if the centre of mass lies outside the region.
+rescaling takes place if the center of mass lies outside the region.
 
 NOTE: You can only use the keyword {com} along with {constrain}.
 
diff --git a/doc/src/fix_eos_table.txt b/doc/src/fix_eos_table.txt
index 53b3204372..72c8523662 100644
--- a/doc/src/fix_eos_table.txt
+++ b/doc/src/fix_eos_table.txt
@@ -35,13 +35,13 @@ temperature.
 
 The interpolation tables are created by fitting cubic splines to the
 file values and interpolating energy values at each of {N} internal
-temperatures, and vice-versa.  During a simulation, these tables are
+temperatures, and vice versa.  During a simulation, these tables are
 used to interpolate internal energy or temperature values as needed.
 The interpolation is done with the {linear} style.
 
 For the {linear} style, the internal temperature is used to find 2
 surrounding table values from which an internal energy is computed by
-linear interpolation, and vice-versa.
+linear interpolation, and vice versa.
 
 The filename specifies a file containing tabulated internal
 temperature and internal energy values.  The keyword specifies a
diff --git a/doc/src/fix_evaporate.txt b/doc/src/fix_evaporate.txt
index 59dab43d9a..69572b96cf 100644
--- a/doc/src/fix_evaporate.txt
+++ b/doc/src/fix_evaporate.txt
@@ -54,8 +54,8 @@ just the single atom is deleted.
 As an example, if you wish to delete 10 water molecules every {N}
 steps, you should set {M} to 30.  If only the water's oxygen atoms
 were in the fix group, then two hydrogen atoms would be deleted when
-an oxygen atom is selected for deletion, whether the hydrogens are
-inside the evaporation region or not.
+an oxygen atom is selected for deletion, whether the hydrogen atoms
+are inside the evaporation region or not.
 
 Note that neighbor lists are re-built on timesteps that atoms are
 removed.  Thus you should not remove atoms too frequently or you will
diff --git a/doc/src/fix_grem.txt b/doc/src/fix_grem.txt
index e096d4bd3c..edf11b337c 100644
--- a/doc/src/fix_grem.txt
+++ b/doc/src/fix_grem.txt
@@ -53,7 +53,7 @@ particles as usual. Either constant volume or constant pressure
 algorithms can be used.
 
 The fix enforces a generalized ensemble in a single replica
-only. Typically, this ideaology is combined with replica exchange with
+only. Typically, this ideology is combined with replica exchange with
 replicas differing by {lambda} only for simplicity, but this is not
 required. A multi-replica simulation can be run within the LAMMPS
 environment using the "temper/grem"_temper_grem.html command. This
diff --git a/doc/src/fix_heat.txt b/doc/src/fix_heat.txt
index 6db7592609..640b211f99 100644
--- a/doc/src/fix_heat.txt
+++ b/doc/src/fix_heat.txt
@@ -109,7 +109,7 @@ are relevant to this fix.
 
 This fix computes a global scalar which can be accessed by various
 "output commands"_Howto_output.html.  This scalar is the most recent
-value by which velocites were scaled.  The scalar value calculated by
+value by which velocities were scaled.  The scalar value calculated by
 this fix is "intensive".  If {eflux} is specified as an atom-style
 variable, this fix computes the average value by which the velocities
 were scaled for all of the atoms that had their velocities scaled.
diff --git a/doc/src/fix_hyper_global.txt b/doc/src/fix_hyper_global.txt
index 4b9e971e14..a7a938b144 100644
--- a/doc/src/fix_hyper_global.txt
+++ b/doc/src/fix_hyper_global.txt
@@ -205,12 +205,12 @@ the current timestep.  The vector stores the following quantities:
 7 = max drift distance of any atom during this run (distance units)
 8 = max bond length during this run (distance units) :ul
 
-9 = cummulative hyper time since fix was defined (time units)
-10 = cummulative count of event timesteps since fix was defined
-11 = cummulative count of atoms in events since fix was defined :ul
+9 = cumulative hyper time since fix was defined (time units)
+10 = cumulative count of event timesteps since fix was defined
+11 = cumulative count of atoms in events since fix was defined :ul
 
 The first 5 quantities are for the current timestep.  Quantities 6-8
-are for the current hyper run.  Quantities 9-11 are cummulative across
+are for the current hyper run.  Quantities 9-11 are cumulative across
 multiple runs (since the fix was defined in the input script).
 
 For value 7, drift is the distance an atom moves between timesteps
@@ -228,7 +228,7 @@ For value 11, each time the "hyper"_hyper.html command checks for an
 event, it invokes a compute to flag zero or more atoms as
 participating in one or more events.  E.g. atoms that have displaced
 more than some distance from the previous quench state.  Value 11 is
-the cummulative count of the number of atoms participating in any of
+the cumulative count of the number of atoms participating in any of
 the events that were found.
 
 The scalar and vector values calculated by this fix are all
diff --git a/doc/src/fix_hyper_local.txt b/doc/src/fix_hyper_local.txt
index 4af6ab5a55..c34b9ba7da 100644
--- a/doc/src/fix_hyper_local.txt
+++ b/doc/src/fix_hyper_local.txt
@@ -310,14 +310,14 @@ quantities:
 18 = count of bias overlaps found during this run
 19 = count of non-matching bias coefficients found during this run :ul
 
-20 = cummulative hyper time since fix created (time units)
-21 = cummulative count of event timesteps since fix created
-22 = cummulative count of atoms in events since fix created
-23 = cummulative # of new bonds since fix created :ul
+20 = cumulative hyper time since fix created (time units)
+21 = cumulative count of event timesteps since fix created
+22 = cumulative count of atoms in events since fix created
+23 = cumulative # of new bonds since fix created :ul
 
 The first quantities (1-5) are for the current timestep.  Quantities
 6-19 are for the current hyper run.  They are reset each time a new
-hyper run is performed.  Quantities 20-23 are cummulative across
+hyper run is performed.  Quantities 20-23 are cumulative across
 multiple runs (since the fix was defined in the input script).
 
 For value 6, the numerator is a count of all biased bonds on every
@@ -333,7 +333,7 @@ For values 13 and 14, the maxstrain of a ghost atom is the maxstrain
 of any bond it is part of, and it is checked for ghost atoms within
 the bond neighbor cutoff.
 
-Values 15-19 are mostly useful for debugging and diagnositc purposes.
+Values 15-19 are mostly useful for debugging and diagnostic purposes.
 
 For values 15-17, it is possible that a ghost atom owned by another
 processor will move far enough (e.g. as part of an event-in-progress)
@@ -367,7 +367,7 @@ For value 22, each time the "hyper"_hyper.html command checks for an
 event, it invokes a compute to flag zero or more atoms as
 participating in one or more events.  E.g. atoms that have displaced
 more than some distance from the previous quench state.  Value 22 is
-the cummulative count of the number of atoms participating in any of
+the cumulative count of the number of atoms participating in any of
 the events that were found.
 
 Value 23 tallies the number of new bonds created by the bond reset
diff --git a/doc/src/fix_imd.txt b/doc/src/fix_imd.txt
index a58cfdb3d3..3e7792d51a 100644
--- a/doc/src/fix_imd.txt
+++ b/doc/src/fix_imd.txt
@@ -41,7 +41,7 @@ it allows LAMMPS to connect an IMD client, for example the "VMD
 visualization program"_VMD, so that it can monitor the progress of the
 simulation and interactively apply forces to selected atoms.
 
-If LAMMPS is compiled with the preprocessor flag -DLAMMPS_ASYNC_IMD
+If LAMMPS is compiled with the pre-processor flag -DLAMMPS_ASYNC_IMD
 then fix imd will use POSIX threads to spawn a IMD communication
 thread on MPI rank 0 in order to offload data reading and writing
 from the main execution thread and potentially lower the inferred
diff --git a/doc/src/fix_indent.txt b/doc/src/fix_indent.txt
index 9931793c0b..ca93c78c79 100644
--- a/doc/src/fix_indent.txt
+++ b/doc/src/fix_indent.txt
@@ -129,7 +129,7 @@ variable rate equal 1.0
 variable r equal "v_r0 + step*dt*v_rate" :pre
 
 If the {side} keyword is specified as {out}, which is the default,
-then particles outside the indenter are pushded away from its outer
+then particles outside the indenter are pushed away from its outer
 surface, as described above.  This only applies to spherical or
 cylindrical indenters.  If the {side} keyword is specified as {in},
 the action of the indenter is reversed.  Particles inside the indenter
diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt
index 62325fdef3..85c97a3436 100644
--- a/doc/src/fix_langevin.txt
+++ b/doc/src/fix_langevin.txt
@@ -179,7 +179,7 @@ options.
 For the {omega} keyword there is also a scale factor of 10.0/3.0 that
 is applied as a multiplier on the Ff (damping) term in the equation
 above and of sqrt(10.0/3.0) as a multiplier on the Fr term.  This does
-not affect the thermostatting behaviour of the Langevin formalism but
+not affect the thermostatting behavior of the Langevin formalism but
 insures that the randomized rotational diffusivity of spherical
 particles is correct.
 
diff --git a/doc/src/fix_langevin_drude.txt b/doc/src/fix_langevin_drude.txt
index 19a3f87ffc..dae12fb156 100644
--- a/doc/src/fix_langevin_drude.txt
+++ b/doc/src/fix_langevin_drude.txt
@@ -78,22 +78,22 @@ transform:
 \begin\{equation\} F = \frac M \{M'\}\, F' - f' \end\{equation\}
 \begin\{equation\} f = \frac m \{M'\}\, F' + f' \end\{equation\}
 
-This fix also thermostates non-polarizable atoms in the group at
+This fix also thermostats non-polarizable atoms in the group at
 temperature {Tcom}, as if they had a massless Drude partner.  The
 Drude particles themselves need not be in the group. The center of
-mass and the dipole are thermostated iff the core atom is in the
+mass and the dipole are thermostatted iff the core atom is in the
 group.
 
 Note that the thermostat effect of this fix is applied to only the
 translational degrees of freedom of the particles, which is an
 important consideration if finite-size particles, which have
-rotational degrees of freedom, are being thermostated. The
+rotational degrees of freedom, are being thermostatted. The
 translational degrees of freedom can also have a bias velocity removed
-from them before thermostating takes place; see the description below.
+from them before thermostatting takes place; see the description below.
 
 NOTE: Like the "fix langevin"_fix_langevin.html command, this fix does
 NOT perform time integration. It only modifies forces to effect
-thermostating. Thus you must use a separate time integration fix, like
+thermostatting. Thus you must use a separate time integration fix, like
 "fix nve"_fix_nve.html or "fix nph"_fix_nh.html to actually update the
 velocities and positions of atoms using the modified forces.
 Likewise, this fix should not normally be used on atoms that also have
@@ -102,7 +102,7 @@ nvt"_fix_nh.html or "fix temp/rescale"_fix_temp_rescale.html commands.
 
 See the "Howto thermostat"_Howto_thermostat.html doc page for a
 discussion of different ways to compute temperature and perform
-thermostating.
+thermostatting.
 
 :line
 
@@ -126,7 +126,7 @@ comm_modify vel yes :pre
 :line
 
 {Tcom} is the target temperature of the centers of mass, which would
-be used to thermostate the non-polarizable atoms.  {Tdrude} is the
+be used to thermostat the non-polarizable atoms.  {Tdrude} is the
 (normally low) target temperature of the core-Drude particle pairs
 (dipoles).  {Tcom} and {Tdrude} can be specified as an equal-style
 "variable"_variable.html.  If the value is a variable, it should be
@@ -139,7 +139,7 @@ functions, and include "thermo_style"_thermo_style.html command
 keywords for the simulation box parameters and timestep and elapsed
 time.  Thus it is easy to specify a time-dependent temperature.
 
-Like other fixes that perform thermostating, this fix can be used with
+Like other fixes that perform thermostatting, this fix can be used with
 "compute commands"_compute.html that remove a "bias" from the atom
 velocities.  E.g. removing the center-of-mass velocity from a group of
 atoms.  This is not done by default, but only if the
@@ -147,11 +147,11 @@ atoms.  This is not done by default, but only if the
 compute to this fix that includes such a bias term.  See the doc pages
 for individual "compute commands"_compute.html to determine which ones
 include a bias.  In this case, the thermostat works in the following
-manner: bias is removed from each atom, thermostating is performed on
+manner: bias is removed from each atom, thermostatting is performed on
 the remaining thermal degrees of freedom, and the bias is added back
 in.  NOTE: this feature has not been tested.
 
-Note: The temperature thermostating the core-Drude particle pairs
+Note: The temperature thermostatting the core-Drude particle pairs
 should be chosen low enough, so as to mimic as closely as possible the
 self-consistent minimization. It must however be high enough, so that
 the dipoles can follow the local electric field exerted by the
@@ -213,7 +213,7 @@ the system, but is a bit slower. :l
 Use two different random seeds to avoid unphysical correlations. :l
 
 Temperature is controlled by the fix {langevin/drude}, so the
-time-integration fixes do not thermostate.  Don't forget to
+time-integration fixes do not thermostat.  Don't forget to
 time-integrate both cores and Drude particles. :l
 
 Pressure is time-integrated only once by using {nve} for Drude
@@ -223,11 +223,11 @@ for both. :l
 The temperatures of cores and Drude particles are calculated by
 "compute temp/drude"_compute_temp_drude.html :l
 
-Contrary to the alternative thermostating using Nose-Hoover thermostat
+Contrary to the alternative thermostatting using Nose-Hoover thermostat
 fix {npt} and "fix drude/transform"_fix_drude_transform.html, the
 {fix_modify} command is not required here, because the fix {nph}
 computes the global pressure even if its group is {ATOMS}. This is
-what we want. If we thermostated {ATOMS} using {npt}, the pressure
+what we want. If we thermostatted {ATOMS} using {npt}, the pressure
 should be the global one, but the temperature should be only that of
 the cores. That's why the command {fix_modify} should be called in
 that case. :l
@@ -247,7 +247,7 @@ restarted simulation should produce the same behavior.
 
 The "fix_modify"_fix_modify.html {temp} option is supported by this
 fix.  You can use it to assign a temperature "compute"_compute.html
-you have defined to this fix which will be used in its thermostating
+you have defined to this fix which will be used in its thermostatting
 procedure, as described above. For consistency, the group used by the
 compute should include the group of this fix and the Drude particles.
 
diff --git a/doc/src/fix_meso_move.txt b/doc/src/fix_meso_move.txt
index 0a222e79ed..1b8e7b76d7 100644
--- a/doc/src/fix_meso_move.txt
+++ b/doc/src/fix_meso_move.txt
@@ -63,7 +63,7 @@ meso"_fix_meso.html command).  It is up to you to decide whether periodic
 boundaries are appropriate with the kind of particle motion you are
 prescribing with this fix.
 
-NOTE: As dicsussed below, particles are moved relative to their initial
+NOTE: As discussed below, particles are moved relative to their initial
 position at the time the fix is specified.  These initial coordinates
 are stored by the fix in "unwrapped" form, by using the image flags
 associated with each particle.  See the "dump custom"_dump.html command
diff --git a/doc/src/fix_msst.txt b/doc/src/fix_msst.txt
index 7f0e5512ae..64195abb37 100644
--- a/doc/src/fix_msst.txt
+++ b/doc/src/fix_msst.txt
@@ -74,7 +74,7 @@ equations, but is used in calculating the deviation from the Hugoniot.
 
 The keyword {beta} is a scaling term that can be added to the MSST
 ionic equations of motion to account for drift in the conserved
-quantity during long timescale simulations, similar to a Berendson
+quantity during long timescale simulations, similar to a Berendsen
 thermostat. See "(Reed)"_#Reed and "(Goldman)"_#Goldman2 for more
 details.  The value of {beta} must be between 0.0 and 1.0 inclusive.
 A value of 0.0 means no contribution, a value of 1.0 means a full
diff --git a/doc/src/fix_nh.txt b/doc/src/fix_nh.txt
index 174547d775..1071e1f808 100644
--- a/doc/src/fix_nh.txt
+++ b/doc/src/fix_nh.txt
@@ -286,7 +286,7 @@ negligible.
 
 The keyword {tloop} can be used to improve the accuracy of integration
 scheme at little extra cost.  The initial and final updates of the
-thermostat variables are broken up into {tloop} substeps, each of
+thermostat variables are broken up into {tloop} sub-steps, each of
 length {dt}/{tloop}. This corresponds to using a first-order
 Suzuki-Yoshida scheme "(Tuckerman)"_#nh-Tuckerman.  The keyword {ploop}
 does the same thing for the barostat thermostat.
diff --git a/doc/src/fix_nh_uef.txt b/doc/src/fix_nh_uef.txt
index dc05948de3..4d58ee7c49 100644
--- a/doc/src/fix_nh_uef.txt
+++ b/doc/src/fix_nh_uef.txt
@@ -37,7 +37,7 @@ fix biax_npt all npt/uef temp 400 400 100 erate -0.00001 0.000005 x 1 1 3000 :pr
 [Description:]
 
 This fix can be used to simulate non-equilibrium molecular dynamics
-(NEMD) under diagonal flow fields, including uniaxial and biaxial
+(NEMD) under diagonal flow fields, including uniaxial and bi-axial
 flow.  Simulations under continuous extensional flow may be carried
 out for an indefinite amount of time.  It is an implementation of the
 boundary conditions from "(Dobson)"_#Dobson, and also uses numerical
diff --git a/doc/src/fix_nve_awpmd.txt b/doc/src/fix_nve_awpmd.txt
index c266d46eee..11951c2fe1 100644
--- a/doc/src/fix_nve_awpmd.txt
+++ b/doc/src/fix_nve_awpmd.txt
@@ -29,7 +29,7 @@ ensemble.
 
 The operation of this fix is exactly like that described by the "fix
 nve"_fix_nve.html command, except that the width and width-velocity of
-the electron wavefunctions are also updated.
+the electron wave functions are also updated.
 
 :line
 
diff --git a/doc/src/fix_nvt_sllod.txt b/doc/src/fix_nvt_sllod.txt
index 7a350e48b5..7050be58b3 100644
--- a/doc/src/fix_nvt_sllod.txt
+++ b/doc/src/fix_nvt_sllod.txt
@@ -184,5 +184,5 @@ Same as "fix nvt"_fix_nh.html, except tchain = 1.
 [(Daivis and Todd)] Daivis and Todd, J Chem Phys, 124, 194103 (2006).
 
 :link(Daivis-sllod)
-[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dyanmics (book),
+[(Daivis and Todd)] Daivis and Todd, Nonequilibrium Molecular Dynamics (book),
 Cambridge University Press, https://doi.org/10.1017/9781139017848, (2017).
diff --git a/doc/src/fix_phonon.txt b/doc/src/fix_phonon.txt
index 7d8f4d3379..23d4d09552 100644
--- a/doc/src/fix_phonon.txt
+++ b/doc/src/fix_phonon.txt
@@ -46,7 +46,7 @@ based on fluctuation-dissipation theory for a group of atoms.
 Consider a crystal with \(N\) unit cells in three dimensions labeled
 \(l = (l_1, l_2, l_3)\) where \(l_i\) are integers.  Each unit cell is
 defined by three linearly independent vectors \(\mathbf\{a\}_1\),
-\(\mathbf\{a\}_2\), \(\mathbf\{a\}_3\) forming a parallelipiped,
+\(\mathbf\{a\}_2\), \(\mathbf\{a\}_3\) forming a parallelepiped,
 containing \(K\) basis atoms labeled \(k\).
 
 Based on fluctuation-dissipation theory, the force constant
@@ -103,7 +103,7 @@ computation is then done.  After every {Noutput} measurements, the
 matrix \(\mathbf\{G\}(\mathbf\{q\})\) is calculated and inverted to
 obtain the elastic stiffness coefficients.  The dynamical matrices are
 then constructed and written to {prefix}.bin.timestep files in binary
-format and to the file {prefix}.log for each wavevector
+format and to the file {prefix}.log for each wave-vector
 \(\mathbf\{q\}\).
 
 A detailed description of this method can be found in
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index a9795850f5..30e8b2766c 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -49,7 +49,7 @@ The command to make LAMMPS call PLUMED during a run requires two keyword
 value pairs pointing to the PLUMED input file and an output file for the
 PLUMED log. The user must specify these arguments every time PLUMED is
 to be used.  Furthermore, the fix plumed command should appear in the
-LAMMPS input file [after] relevant input paramters (e.g. the timestep)
+LAMMPS input file [after] relevant input parameters (e.g. the timestep)
 have been set.
 
 The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
diff --git a/doc/src/fix_property_atom.txt b/doc/src/fix_property_atom.txt
index 0751a272ac..a62f523c5d 100644
--- a/doc/src/fix_property_atom.txt
+++ b/doc/src/fix_property_atom.txt
@@ -100,7 +100,7 @@ then you most likely want to set {ghost} yes, since these properties
 are stored with ghost atoms if you use an "atom_style"_atom_style.html
 that defines them, and many LAMMPS operations that use molecule IDs or
 charge, such as neighbor lists and pair styles, will expect ghost
-atoms to have these valuse.  LAMMPS will issue a warning it you define
+atoms to have these values.  LAMMPS will issue a warning it you define
 those vectors but do not set {ghost} yes.
 
 NOTE: The properties for ghost atoms are not updated every timestep,
diff --git a/doc/src/fix_qmmm.txt b/doc/src/fix_qmmm.txt
index 4163275056..c39a58ed86 100644
--- a/doc/src/fix_qmmm.txt
+++ b/doc/src/fix_qmmm.txt
@@ -22,7 +22,7 @@ fix 1 qmol qmmm
 [Description:]
 
 This fix provides functionality to enable a quantum
-mechanics/molecular mechanice (QM/MM) coupling of LAMMPS to a quantum
+mechanics/molecular mechanics (QM/MM) coupling of LAMMPS to a quantum
 mechanical code.  The current implementation only supports an ONIOM
 style mechanical coupling to the "Quantum ESPRESSO"_espresso plane
 wave DFT package.  Electrostatic coupling is in preparation and the
diff --git a/doc/src/fix_recenter.txt b/doc/src/fix_recenter.txt
index cfac756cd1..05c93c3e2f 100644
--- a/doc/src/fix_recenter.txt
+++ b/doc/src/fix_recenter.txt
@@ -79,10 +79,10 @@ in solvent) without using the {shift} keyword to adjust the positions
 of all atoms in the system, then the results can be unpredictable.
 For example, if the molecule is pushed consistently in one direction
 by a flowing solvent, its velocity will increase.  But its coordinates
-will be recentered, meaning it is moved back towards the force.  Thus
+will be re-centered, meaning it is moved back towards the force.  Thus
 over time, the velocity and effective temperature of the molecule
 could become very large, though it won't actually be moving due to the
-recentering.  If you are thermostatting the entire system, then the
+re-centering.  If you are thermostatting the entire system, then the
 solvent would be cooled to compensate.  A better solution for this
 simulation scenario is to use the "fix spring"_fix_spring.html command
 to tether the molecule in place.
diff --git a/doc/src/fix_restrain.txt b/doc/src/fix_restrain.txt
index 2edc7e3296..8e962f4cc9 100644
--- a/doc/src/fix_restrain.txt
+++ b/doc/src/fix_restrain.txt
@@ -49,7 +49,7 @@ file, as specified by the "read_data"_read_data.html command, albeit
 with a time-varying pre-factor coefficient, and except for exclusion
 rules, as explained below.
 
-For the purpose of forcefield parameter-fitting or mapping a molecular
+For the purpose of force field parameter-fitting or mapping a molecular
 potential energy surface, this fix reduces the hassle and risk
 associated with modifying data files.  In other words, use this fix to
 temporarily force a molecule to adopt a particular conformation.  To
@@ -82,7 +82,7 @@ self-consistent minimization problem (see below).
 
 In order for a restraint to be effective, the restraint force must
 typically be significantly larger than the forces associated with
-conventional forcefield terms.  If the restraint is applied during a
+conventional force field terms.  If the restraint is applied during a
 dynamics run (as opposed to during an energy minimization), a large
 restraint coefficient can significantly reduce the stable timestep
 size, especially if the atoms are initially far from the preferred
@@ -90,7 +90,7 @@ conformation.  You may need to experiment to determine what value of K
 works best for a given application.
 
 For the case of finding a minimum energy structure for a single
-molecule with particular restraints (e.g. for fitting forcefield
+molecule with particular restraints (e.g. for fitting force field
 parameters or constructing a potential energy surface), commands such
 as the following may be useful:
 
diff --git a/doc/src/fix_tfmc.txt b/doc/src/fix_tfmc.txt
index 2d4f003607..e14663bebd 100644
--- a/doc/src/fix_tfmc.txt
+++ b/doc/src/fix_tfmc.txt
@@ -54,7 +54,7 @@ estimation of the effective time scale of such a simulation, but it
 was later shown that the speed-up one can gain from a tfMC simulation
 is system- and process-dependent, ranging from none to several orders
 of magnitude. In general, solid-state processes such as
-(re)crystallisation or growth can be accelerated by up to two or three
+(re)crystallization or growth can be accelerated by up to two or three
 orders of magnitude, whereas diffusion in the liquid phase is not
 accelerated at all. The observed pseudodynamics when using the tfMC
 method is not the actual dynamics one would obtain using MD, but the
diff --git a/doc/src/fix_ti_spring.txt b/doc/src/fix_ti_spring.txt
index 290ee95b9a..d212579510 100644
--- a/doc/src/fix_ti_spring.txt
+++ b/doc/src/fix_ti_spring.txt
@@ -35,7 +35,7 @@ solid of interest and an Einstein crystal. A detailed explanation of
 how to use this command and choose its parameters for optimal
 performance and accuracy is given in the paper by
 "Freitas"_#Freitas1. The paper also presents a short summary of the
-theory of nonequilibrium thermodynamic integrations.
+theory of nonequilibrium thermodynamic integration.
 
 The thermodynamic integration procedure is performed by rescaling the
 force on each atom. Given an atomic configuration the force (F) on
diff --git a/doc/src/fix_tune_kspace.txt b/doc/src/fix_tune_kspace.txt
index 147bb1eb3d..c398bf9157 100644
--- a/doc/src/fix_tune_kspace.txt
+++ b/doc/src/fix_tune_kspace.txt
@@ -26,7 +26,7 @@ fix 2 all tune/kspace 100 :pre
 This fix tests each kspace style (Ewald, PPPM, and MSM), and
 automatically selects the fastest style to use for the remainder
 of the run. If the fastest style is Ewald or PPPM, the fix also
-adjusts the coulomb cutoff towards optimal speed. Future versions
+adjusts the Coulombic cutoff towards optimal speed. Future versions
 of this fix will automatically select other kspace parameters
 to use for maximum simulation speed. The kspace parameters may
 include the style, cutoff, grid points in each direction, order,
@@ -55,7 +55,7 @@ inordinate amount of wall time to complete. An N of 100 for most problems
 seems reasonable. Once an optimal parameter set is found, that set is
 used for the remainder of the run.
 
-This fix uses heristics to guide it's selection of parameter sets to test,
+This fix uses heuristics to guide it's selection of parameter sets to test,
 but the actual timed results will be used to decide which set to use in the
 simulation.
 
diff --git a/doc/src/fix_wall_piston.txt b/doc/src/fix_wall_piston.txt
index b1968e0d49..475517ed66 100644
--- a/doc/src/fix_wall_piston.txt
+++ b/doc/src/fix_wall_piston.txt
@@ -26,7 +26,7 @@ keyword = {pos} or {vel} or {ramp} or {units}  :l
     target = target velocity for region immediately ahead of the piston
     damp = damping parameter (time units)
     seed = random number seed for langevin kicks
-    extent = extent of thermostated region (distance units)
+    extent = extent of thermostatted region (distance units)
   {units} value = {lattice} or {box}
     {lattice} = the wall position is defined in lattice units
     {box} = the wall position is defined in simulation box units :pre
@@ -69,7 +69,7 @@ the {ramp} keyword is omitted then the wall/piston moves at a constant
 velocity defined by {vel}.
 
 The {temp} keyword will cause the region immediately in front of the
-wall/piston to be thermostated with a Langevin thermostat.  This
+wall/piston to be thermostatted with a Langevin thermostat.  This
 region moves with the piston.  The damping and kicking are measured in
 the reference frame of the piston.  So, a temperature of zero would
 mean all particles were moving at exactly the speed of the
diff --git a/doc/src/hyper.txt b/doc/src/hyper.txt
index 570f27ca64..f379d09580 100644
--- a/doc/src/hyper.txt
+++ b/doc/src/hyper.txt
@@ -41,7 +41,7 @@ hyper 5000 100 HG event min 1.0e-6 1.0e-6 100 100 dump 1 dump 5 :pre
 Run a bond-boost hyperdynamics (HD) simulation where time is
 accelerated by application of a bias potential to one or more pairs of
 nearby atoms in the system.  This command can be used to run both
-global and local hyperdyamics.  In global HD a single bond within the
+global and local hyperdynamics.  In global HD a single bond within the
 system is biased on each timestep.  In local HD multiple bonds
 (separated by a sufficient distance) can be biased simultaneously at
 each timestep.  In the bond-boost hyperdynamics context, a "bond" is
diff --git a/doc/src/improper_none.txt b/doc/src/improper_none.txt
index f97af101fc..78a7489837 100644
--- a/doc/src/improper_none.txt
+++ b/doc/src/improper_none.txt
@@ -18,7 +18,7 @@ improper_style none :pre
 
 [Description:]
 
-Using an improper style of none means imroper forces and energies are
+Using an improper style of none means improper forces and energies are
 not computed, even if quadruplets of improper atoms were listed in the
 data file read by the "read_data"_read_data.html command.
 
diff --git a/doc/src/kspace_modify.txt b/doc/src/kspace_modify.txt
index 218f85bd74..c4bd4db3ee 100644
--- a/doc/src/kspace_modify.txt
+++ b/doc/src/kspace_modify.txt
@@ -317,10 +317,10 @@ The {tolerance} option affects how the {accuracy} specified with the
 "kspace_style"_kspace_style.html command is interpreted by ScaFaCoS.
 The following values may be used:
 
-energy = absolute accuracy in total Coulomic energy
-energy_rel = relative accuracy in total Coulomic energy
-potential = absolute accuracy in total Coulomic potential
-potential_rel = relative accuracy in total Coulomic potential
+energy = absolute accuracy in total Coulombic energy
+energy_rel = relative accuracy in total Coulombic energy
+potential = absolute accuracy in total Coulombic potential
+potential_rel = relative accuracy in total Coulombic potential
 field = absolute accuracy in electric field
 field_rel = relative accuracy in electric field :ul
 
@@ -338,12 +338,12 @@ of 1e-3 would mean that the result has to be between 999999.999 and
 1e-9.
 
 The energy and energy_rel values, set a tolerance based on the total
-Coulomic energy of the system.  The potential and potential_rel set a
-tolerance based on the per-atom Coulomic energy.  The field and
+Coulombic energy of the system.  The potential and potential_rel set a
+tolerance based on the per-atom Coulombic energy.  The field and
 field_rel tolerance types set a tolerance based on the electric field
 values computed by ScaFaCoS.  Since per-atom forces are derived from
 the per-atom electric field, this effectively sets a tolerance on the
-forces, simimlar to other LAMMPS KSpace styles, as explained on the
+forces, similar to other LAMMPS KSpace styles, as explained on the
 "kspace_style"_kspace_style.html doc page.
 
 Note that not all ScaFaCoS solvers support all tolerance types.
@@ -363,7 +363,7 @@ The {fmm_tuning} option is only relevant when using the FMM method.
 It activates (value=1) or deactivates (value=0) an internal tuning
 mechanism for the FMM solver.  The tuning operation runs sequentially
 and can be very time-consuming.  Usually it is not needed for systems
-with a homogenous charge distribution. The default for this option is
+with a homogeneous charge distribution. The default for this option is
 therefore {0}. The FMM internal tuning is performed once, when the
 solver is set up.
 
diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt
index 6d8a289470..fdf78ce4ec 100644
--- a/doc/src/kspace_style.txt
+++ b/doc/src/kspace_style.txt
@@ -193,7 +193,7 @@ the -DFFT_SINGLE compiler switch.
 The {msm} style invokes a multi-level summation method MSM solver,
 "(Hardy)"_#Hardy2006 or "(Hardy2)"_#Hardy2009, which maps atom charge
 to a 3d mesh, and uses a multi-level hierarchy of coarser and coarser
-meshes on which direct coulomb solves are done.  This method does not
+meshes on which direct Coulomb solvers are done.  This method does not
 use FFTs and scales as N. It may therefore be faster than the other
 K-space solvers for relatively large problems when running on large
 core counts. MSM can also be used for non-periodic boundary conditions
@@ -201,7 +201,7 @@ and for mixed periodic and non-periodic boundaries.
 
 MSM is most competitive versus Ewald and PPPM when only relatively
 low accuracy forces, about 1e-4 relative error or less accurate,
-are needed. Note that use of a larger coulomb cutoff (i.e. 15
+are needed. Note that use of a larger Coulombic cutoff (i.e. 15
 angstroms instead of 10 angstroms) provides better MSM accuracy for
 both the real space and grid computed forces.
 
@@ -237,7 +237,7 @@ See details on "this page"_Section_packages.html#USER-SCAFACOS.
 
 NOTE: Unlike other KSpace solvers in LAMMPS, ScaFaCoS computes all
 Coulombic interactions, both short- and long-range.  Thus you should
-NOT use a Coulmbic pair style when using kspace_style scafacos.  This
+NOT use a Coulombic pair style when using kspace_style scafacos.  This
 also means the total Coulombic energy (short- and long-range) will be
 tallied for "thermodynamic output"_thermo_style.html command as part
 of the {elong} keyword; the {ecoul} keyword will be zero.
diff --git a/doc/src/minimize.txt b/doc/src/minimize.txt
index 73858fc249..ffda749ec5 100644
--- a/doc/src/minimize.txt
+++ b/doc/src/minimize.txt
@@ -190,7 +190,7 @@ it when running dynamics).  If you do not do this, the total energy of
 the system will have discontinuities when the relative distance
 between any pair of atoms changes from cutoff+epsilon to
 cutoff-epsilon and the minimizer may behave poorly.  Some of the
-manybody potentials use splines and other internal cutoffs that
+many-body potentials use splines and other internal cutoffs that
 inherently have this problem.  The "long-range Coulombic
 styles"_kspace_style.html (PPPM, Ewald) are approximate to within the
 user-specified tolerance, which means their energy and forces may not
diff --git a/doc/src/molecule.txt b/doc/src/molecule.txt
index 88c6292d8b..4c066b5e2e 100644
--- a/doc/src/molecule.txt
+++ b/doc/src/molecule.txt
@@ -96,7 +96,7 @@ the molecule (header keyword = com), and the moments of inertia of the
 molecule (header keyword = inertia).
 
 NOTE: The molecule command can be used to define molecules with bonds,
-angles, dihedrals, imporopers, or special bond lists of neighbors
+angles, dihedrals, impropers, or special bond lists of neighbors
 within a molecular topology, so that you can later add the molecules
 to your simulation, via one or more of the commands listed above.
 Since this topology-related information requires that suitable storage
@@ -117,7 +117,7 @@ A molecule file has a header and a body.  The header appears first.
 The first line of the header is always skipped; it typically contains
 a description of the file.  Then lines are read one at a time.  Lines
 can have a trailing comment starting with '#' that is ignored.  If the
-line is blank (only whitespace after comment is deleted), it is
+line is blank (only white-space after comment is deleted), it is
 skipped.  If the line contains a header keyword, the corresponding
 value(s) is read from the line.  If it doesn't contain a header
 keyword, the line begins the body of the file.
diff --git a/doc/src/neb.txt b/doc/src/neb.txt
index e136aa2f2c..fbe06d3d3d 100644
--- a/doc/src/neb.txt
+++ b/doc/src/neb.txt
@@ -59,7 +59,7 @@ performance speed-up you would see with one or more physical
 processors per replica.  See the "Howto replica"_Howto_replica.html
 doc page for further discussion.
 
-NOTE: As explained below, a NEB calculation perfoms a damped dynamics
+NOTE: As explained below, a NEB calculation performs a damped dynamics
 minimization across all the replicas.  The minimizer uses whatever
 timestep you have defined in your input script, via the
 "timestep"_timestep.html command.  Often NEB will converge more
@@ -211,7 +211,7 @@ over a barrier.  The MEP for a transition is defined as a sequence of
 3N-dimensional states, each of which has a potential energy gradient
 parallel to the MEP itself.  The configuration of highest energy along
 a MEP corresponds to a saddle point.  The replica states will also be
-roughly equally spaced along the MEP due to the inter-replica nugding
+roughly equally spaced along the MEP due to the inter-replica nudging
 force added by the "fix neb"_fix_neb.html command.
 
 In the second stage of NEB, the replica with the highest energy is
diff --git a/doc/src/package.txt b/doc/src/package.txt
index 65117ba3c3..f9ed0734c9 100644
--- a/doc/src/package.txt
+++ b/doc/src/package.txt
@@ -40,7 +40,7 @@ args = arguments specific to the style :l
       {blocksize} value = size
         size = thread block size for pair force computation
   {intel} args = NPhi keyword value ...
-    Nphi = # of coprocessors per node
+    Nphi = # of co-processors per node
     zero or more keyword/value pairs may be appended
     keywords = {mode} or {omp} or {lrt} or {balance} or {ghost} or {tpc} or {tptask} or {no_affinity}
       {mode} value = {single} or {mixed} or {double}
@@ -53,14 +53,14 @@ args = arguments specific to the style :l
         yes = use additional thread dedicated for some PPPM calculations
         no = do not dedicate an extra thread for some PPPM calculations
       {balance} value = split
-        split = fraction of work to offload to coprocessor, -1 for dynamic
+        split = fraction of work to offload to co-processor, -1 for dynamic
       {ghost} value = {yes} or {no}
         yes = include ghost atoms for offload
         no = do not include ghost atoms for offload
       {tpc} value = Ntpc
-        Ntpc = max number of coprocessor threads per coprocessor core (default = 4)
+        Ntpc = max number of co-processor threads per co-processor core (default = 4)
       {tptask} value = Ntptask
-        Ntptask = max number of coprocessor threads per MPI task (default = 240)
+        Ntptask = max number of co-processor threads per MPI task (default = 240)
       {no_affinity} values = none
   {kokkos} args = keyword value ...
     zero or more keyword/value pairs may be appended
@@ -289,7 +289,7 @@ MAX_BIO_SHARED_TYPES :ul
 The {blocksize} keyword allows you to tweak the number of threads used
 per thread block. This number should be a multiple of 32 (for GPUs)
 and its maximum depends on the specific GPU hardware. Typical choices
-are 64, 128, or 256. A larger blocksize increases occupancy of
+are 64, 128, or 256. A larger block size increases occupancy of
 individual GPU cores, but reduces the total number of thread blocks,
 thus may lead to load imbalance.
 
@@ -298,13 +298,13 @@ thus may lead to load imbalance.
 The {intel} style invokes settings associated with the use of the
 USER-INTEL package.  All of its settings, except the {omp} and {mode}
 keywords, are ignored if LAMMPS was not built with Xeon Phi
-coprocessor support.  All of its settings, including the {omp} and
-{mode} keyword are applicable if LAMMPS was built with coprocessor
+co-processor support.  All of its settings, including the {omp} and
+{mode} keyword are applicable if LAMMPS was built with co-processor
 support.
 
-The {Nphi} argument sets the number of coprocessors per node.
+The {Nphi} argument sets the number of co-processors per node.
 This can be set to any value, including 0, if LAMMPS was not
-built with coprocessor support.
+built with co-processor support.
 
 Optional keyword/value pairs can also be specified.  Each has a
 default value as listed below.
@@ -312,14 +312,14 @@ default value as listed below.
 The {omp} keyword determines the number of OpenMP threads allocated
 for each MPI task when any portion of the interactions computed by a
 USER-INTEL pair style are run on the CPU.  This can be the case even
-if LAMMPS was built with coprocessor support; see the {balance}
+if LAMMPS was built with co-processor support; see the {balance}
 keyword discussion below.  If you are running with less MPI tasks/node
 than there are CPUs, it can be advantageous to use OpenMP threading on
 the CPUs.
 
-NOTE: The {omp} keyword has nothing to do with coprocessor threads on
+NOTE: The {omp} keyword has nothing to do with co-processor threads on
 the Xeon Phi; see the {tpc} and {tptask} keywords below for a
-discussion of coprocessor threads.
+discussion of co-processor threads.
 
 The {Nthread} value for the {omp} keyword sets the number of OpenMP
 threads allocated for each MPI task.  Setting {Nthread} = 0 (the
@@ -346,7 +346,7 @@ command, followed by a "package omp" command, both with a setting of
 {Nthreads} = 0.
 
 The {mode} keyword determines the precision mode to use for
-computing pair style forces, either on the CPU or on the coprocessor,
+computing pair style forces, either on the CPU or on the co-processor,
 when using a USER-INTEL supported "pair style"_pair_style.html.  It
 can take a value of {single}, {mixed} which is the default, or
 {double}.  {Single} means single precision is used for the entire
@@ -371,13 +371,13 @@ from the USER-INTEL package is not used, then the LRT setting is
 ignored and no extra threads are generated. Enabling LRT will replace
 the "run_style"_run_style.html with the {verlet/lrt/intel} style that
 is identical to the default {verlet} style aside from supporting the
-LRT feature. This feature requires setting the preprocessor flag
+LRT feature. This feature requires setting the pre-processor flag
 -DLMP_INTEL_USELRT in the makefile when compiling LAMMPS.
 
 The {balance} keyword sets the fraction of "pair
-style"_pair_style.html work offloaded to the coprocessor for split
+style"_pair_style.html work offloaded to the co-processor for split
 values between 0.0 and 1.0 inclusive.  While this fraction of work is
-running on the coprocessor, other calculations will run on the host,
+running on the co-processor, other calculations will run on the host,
 including neighbor and pair calculations that are not offloaded, as
 well as angle, bond, dihedral, kspace, and some MPI communications.
 If {split} is set to -1, the fraction of work is dynamically adjusted
@@ -388,18 +388,18 @@ The {ghost} keyword determines whether or not ghost atoms, i.e. atoms
 at the boundaries of processor sub-domains, are offloaded for neighbor
 and force calculations.  When the value = "no", ghost atoms are not
 offloaded.  This option can reduce the amount of data transfer with
-the coprocessor and can also overlap MPI communication of forces with
-computation on the coprocessor when the "newton pair"_newton.html
+the co-processor and can also overlap MPI communication of forces with
+computation on the co-processor when the "newton pair"_newton.html
 setting is "on".  When the value = "yes", ghost atoms are offloaded.
 In some cases this can provide better performance, especially if the
 {balance} fraction is high.
 
-The {tpc} keyword sets the max # of coprocessor threads {Ntpc} that
-will run on each core of the coprocessor.  The default value = 4,
+The {tpc} keyword sets the max # of co-processor threads {Ntpc} that
+will run on each core of the co-processor.  The default value = 4,
 which is the number of hardware threads per core supported by the
 current generation Xeon Phi chips.
 
-The {tptask} keyword sets the max # of coprocessor threads (Ntptask}
+The {tptask} keyword sets the max # of co-processor threads (Ntptask}
 assigned to each MPI task.  The default value = 240, which is the
 total # of threads an entire current generation Xeon Phi chip can run
 (240 = 60 cores * 4 threads/core).  This means each MPI task assigned
@@ -415,7 +415,7 @@ most problems, regardless of how many MPI tasks you assign to a Phi.
 
 The {no_affinity} keyword will turn off automatic setting of core
 affinity for MPI tasks and OpenMP threads on the host when using
-offload to a coprocessor. Affinity settings are used when possible
+offload to a co-processor. Affinity settings are used when possible
 to prevent MPI tasks and OpenMP threads from being on separate NUMA
 domains and to prevent offload threads from interfering with other
 processes/threads used for LAMMPS.
@@ -617,7 +617,7 @@ tptask = 240.  The default ghost option is determined by the pair
 style being used.  This value is output to the screen in the offload
 report at the end of each run.  Note that all of these settings,
 except "omp" and "mode", are ignored if LAMMPS was not built with Xeon
-Phi coprocessor support.  These settings are made automatically if the
+Phi co-processor support.  These settings are made automatically if the
 "-sf intel" "command-line switch"_Run_options.html is used.  If it is
 not used, you must invoke the package intel command in your input
 script or or via the "-pk intel" "command-line
diff --git a/doc/src/pair_agni.txt b/doc/src/pair_agni.txt
index 74aef41255..8cb1bf34e4 100644
--- a/doc/src/pair_agni.txt
+++ b/doc/src/pair_agni.txt
@@ -19,7 +19,7 @@ pair_coeff      * * Al.agni Al
 
 [Description:]
 
-Style {agni} style computes the manybody vectorial force components for
+Style {agni} style computes the many-body vectorial force components for
 an atom as
 
 :c,image(Eqs/pair_agni.jpg)
diff --git a/doc/src/pair_awpmd.txt b/doc/src/pair_awpmd.txt
index ec87101d0d..4401f5b706 100644
--- a/doc/src/pair_awpmd.txt
+++ b/doc/src/pair_awpmd.txt
@@ -58,7 +58,7 @@ keyword is used, then an unrestricted Hartree-Fock trial wave function
 is used.
 
 The {free}, {pbc}, and {fix} keywords specify a width constraint on
-the electron wavepackets.  If the {free} keyword is specified, then there is no
+the electron wave packets.  If the {free} keyword is specified, then there is no
 constraint.  If the {pbc} keyword is used and {Plen} is specified as
 -1, then the maximum width is half the shortest box length.  If {Plen}
 is a positive value, then the value is the maximum width.  If the
@@ -68,7 +68,7 @@ positive value, then the constant width for all electrons is set to
 {Flen}.
 
 The {harm} keyword allow oscillations in the width of the
-electron wavepackets.  More details are needed.
+electron wave packets.  More details are needed.
 
 The {ermscale} keyword specifies a unitless scaling factor
 between the electron masses and the width variable mass.  More
@@ -119,5 +119,5 @@ This pair style can only be used via the {pair} keyword of the
 [Default:]
 
 These are the defaults for the pair_style keywords: {hartree} for the
-initial wavefunction, {free} for the wavepacket width.
+initial wave function, {free} for the wave packet width.
 
diff --git a/doc/src/pair_bop.txt b/doc/src/pair_bop.txt
index f9b4262f0c..ef6fff2963 100644
--- a/doc/src/pair_bop.txt
+++ b/doc/src/pair_bop.txt
@@ -28,7 +28,7 @@ comm_modify cutoff 14.70 :pre
 [Description:]
 
 The {bop} pair style computes Bond-Order Potentials (BOP) based on
-quantum mechanical theory incorporating both sigma and pi bondings.
+quantum mechanical theory incorporating both sigma and pi bonding.
 By analytically deriving the BOP from quantum mechanical theory its
 transferability to different phases can approach that of quantum
 mechanical methods.  This potential is similar to the original BOP
diff --git a/doc/src/pair_charmm.txt b/doc/src/pair_charmm.txt
index 131e289227..7f0104266c 100644
--- a/doc/src/pair_charmm.txt
+++ b/doc/src/pair_charmm.txt
@@ -131,7 +131,7 @@ same for both formulas or different depending on whether 2 or 4
 arguments are used in the pair_style command.  For the
 {lj/charmmfsw/coul/charmmfsh} style, the LJ term requires both an
 inner and outer cutoff, while the Coulombic term requires only one
-cutoff.  If the Coulomb cutoff is not specified (2 instead of 3
+cutoff.  If the Coulombic cutoff is not specified (2 instead of 3
 arguments), the LJ outer cutoff is used for the Coulombic cutoff.  In
 all cases where an inner and outer cutoff are specified, the inner
 cutoff distance must be less than the outer cutoff.  It is typical to
diff --git a/doc/src/pair_coeff.txt b/doc/src/pair_coeff.txt
index 88f95b5b2c..be2699285f 100644
--- a/doc/src/pair_coeff.txt
+++ b/doc/src/pair_coeff.txt
@@ -90,7 +90,7 @@ is looked for in the current working directory.  If it is specified as
 directory, assuming it is a sister directory of the current working
 directory.  If the file is not found, it is then looked for in the
 directory specified by the LAMMPS_POTENTIALS environment variable.
-Thus if this is set to the potentials directory in the LAMMPS distro,
+Thus if this is set to the potentials directory in the LAMMPS distribution,
 then you can use those files from anywhere on your system, without
 copying them into your working directory.  Environment variables are
 set in different ways for different shells.  Here are example settings
diff --git a/doc/src/pair_coul.txt b/doc/src/pair_coul.txt
index cf66c711c8..06838a97e6 100644
--- a/doc/src/pair_coul.txt
+++ b/doc/src/pair_coul.txt
@@ -197,7 +197,7 @@ option.  The Coulombic cutoff specified for this style means that
 pairwise interactions within this distance are computed directly;
 interactions outside that distance are computed in reciprocal space.
 
-Styles {tip4p/cut} and {tip4p/long} implement the coulomb part of
+Styles {tip4p/cut} and {tip4p/long} implement the Coulomb part of
 the TIP4P water model of "(Jorgensen)"_#Jorgensen3, which introduces
 a massless site located a short distance away from the oxygen atom
 along the bisector of the HOH angle.  The atomic types of the oxygen and
@@ -219,7 +219,7 @@ Note that the neighbor list cutoff for Coulomb interactions is
 effectively extended by a distance 2*qdist when using the TIP4P pair
 style, to account for the offset distance of the fictitious charges on
 O atoms in water molecules.  Thus it is typically best in an
-efficiency sense to use a LJ cutoff >= Coulomb cutoff + 2*qdist, to
+efficiency sense to use a LJ cutoff >= Coulombic cutoff + 2*qdist, to
 shrink the size of the neighbor list.  This leads to slightly larger
 cost for the long-range calculation, so you can test the trade-off for
 your model.
diff --git a/doc/src/pair_dipole.txt b/doc/src/pair_dipole.txt
index b3ce55535e..c695601061 100644
--- a/doc/src/pair_dipole.txt
+++ b/doc/src/pair_dipole.txt
@@ -103,8 +103,8 @@ the two particles.  Note that Eqq and Fqq are simply Coulombic energy
 and force, Fij = -Fji as symmetric forces, and Tij != -Tji since the
 torques do not act symmetrically.  The shifted-force formula for the
 Lennard-Jones potential is reported in "(Stoddard)"_#Stoddard.  The
-original (unshifted) formulas for the electrostatic potentials, forces
-and torques can be found in "(Price)"_#Price2.  The shifted-force
+original (non-shifted) formulas for the electrostatic potentials,
+forces and torques can be found in "(Price)"_#Price2. The shifted-force
 electrostatic potentials have been obtained by applying equation 5.13
 of "(Allen)"_#Allen2. The formulas for the corresponding forces and
 torques have been obtained by applying the 'chain rule' as in appendix
diff --git a/doc/src/pair_dpd.txt b/doc/src/pair_dpd.txt
index 55ae298682..db6fc174d4 100644
--- a/doc/src/pair_dpd.txt
+++ b/doc/src/pair_dpd.txt
@@ -97,7 +97,7 @@ The GPU-accelerated versions of these styles are implemented based on
 the work of "(Afshar)"_#Afshar and "(Phillips)"_#Phillips.
 
 NOTE: If you are modeling DPD polymer chains, you may want to use the
-"pair_style srp"_pair_srp.html command in conjuction with these pair
+"pair_style srp"_pair_srp.html command in conjunction with these pair
 styles.  It is a soft segmental repulsive potential (SRP) that can
 prevent DPD polymer chains from crossing each other.
 
@@ -178,7 +178,7 @@ simulation), you should experiment with forcing reneighboring more
 often and see if system energies/trajectories change.
 
 These pair styles requires you to use the "comm_modify vel
-yes"_comm_modify.html command so that velocites are stored by ghost
+yes"_comm_modify.html command so that velocities are stored by ghost
 atoms.
 
 These pair styles will not restart exactly when using the
diff --git a/doc/src/pair_dpd_fdt.txt b/doc/src/pair_dpd_fdt.txt
index 4f2459588a..52605aef39 100644
--- a/doc/src/pair_dpd_fdt.txt
+++ b/doc/src/pair_dpd_fdt.txt
@@ -155,7 +155,7 @@ enabled if LAMMPS was built with that package.  See the "Build
 package"_Build_package.html doc page for more info.
 
 Pair styles {dpd/fdt} and {dpd/fdt/energy} require use of the
-"comm_modify vel yes"_comm_modify.html option so that velocites are
+"comm_modify vel yes"_comm_modify.html option so that velocities are
 stored by ghost atoms.
 
 Pair style {dpd/fdt/energy} requires "atom_style dpd"_atom_style.html
diff --git a/doc/src/pair_edip.txt b/doc/src/pair_edip.txt
index e0e8fbb27e..09eb6ee63a 100644
--- a/doc/src/pair_edip.txt
+++ b/doc/src/pair_edip.txt
@@ -99,7 +99,7 @@ specify EDIP parameters for all permutations of the two elements
 interacting in three-body configurations.  Thus for 3 elements, 27
 entries would be required, etc.
 
-At the moment, only a single element parametrization is
+At the moment, only a single element parameterization is
 implemented. However, the author is not aware of other
 multi-element EDIP parameterization. If you know any and
 you are interest in that, please contact the author of
diff --git a/doc/src/pair_eff.txt b/doc/src/pair_eff.txt
index a665654af0..1df94ebecc 100644
--- a/doc/src/pair_eff.txt
+++ b/doc/src/pair_eff.txt
@@ -48,21 +48,21 @@ structure methods to describe atomic structure, bonding, and chemistry
 in materials, and of plasma methods to describe nonequilibrium
 dynamics of large systems with a large number of highly excited
 electrons.  Yet, eFF relies on a simplification of the electronic
-wavefunction in which electrons are described as floating Gaussian
+wave function in which electrons are described as floating Gaussian
 wave packets whose position and size respond to the various dynamic
 forces between interacting classical nuclear particles and spherical
-Gaussian electron wavepackets.  The wavefunction is taken to be a
+Gaussian electron wave packets.  The wave function is taken to be a
 Hartree product of the wave packets.  To compensate for the lack of
-explicit antisymmetry in the resulting wavefunction, a spin-dependent
+explicit antisymmetry in the resulting wave function, a spin-dependent
 Pauli potential is included in the Hamiltonian.  Substituting this
-wavefunction into the time-dependent Schrodinger equation produces
+wave function into the time-dependent Schrodinger equation produces
 equations of motion that correspond - to second order - to classical
 Hamiltonian relations between electron position and size, and their
-conjugate momenta.  The N-electron wavefunction is described as a
+conjugate momenta.  The N-electron wave function is described as a
 product of one-electron Gaussian functions, whose size is a dynamical
 variable and whose position is not constrained to a nuclear
 center. This form allows for straightforward propagation of the
-wavefunction, with time, using a simple formulation from which the
+wave function, with time, using a simple formulation from which the
 equations of motion are then integrated with conventional MD
 algorithms. In addition to this spin-dependent Pauli repulsion
 potential term between Gaussians, eFF includes the electron kinetic
@@ -229,7 +229,7 @@ system.  The charge for a pseudo-core atom should be given by the
 number of outer shell electrons.
 
 In general, eFF excels at computing the properties of materials in
-extreme conditions and tracing the system dynamics over multi-picosend
+extreme conditions and tracing the system dynamics over multi-picosecond
 timescales; this is particularly relevant where electron excitations
 can change significantly the nature of bonding in the system. It can
 capture with surprising accuracy the behavior of such systems because
@@ -289,7 +289,7 @@ such as radius, radial velocity, and radial force, as defined by the
 this.
 
 Thes pair styles require you to use the "comm_modify vel
-yes"_comm_modify.html command so that velocites are stored by ghost
+yes"_comm_modify.html command so that velocities are stored by ghost
 atoms.
 
 [Related commands:]
diff --git a/doc/src/pair_gran.txt b/doc/src/pair_gran.txt
index e322f8da15..f747d15ec4 100644
--- a/doc/src/pair_gran.txt
+++ b/doc/src/pair_gran.txt
@@ -242,7 +242,7 @@ require a per-particle radius is stored.  The {sphere} atom style does
 all of this.
 
 This pair style requires you to use the "comm_modify vel
-yes"_comm_modify.html command so that velocites are stored by ghost
+yes"_comm_modify.html command so that velocities are stored by ghost
 atoms.
 
 These pair styles will not restart exactly when using the
diff --git a/doc/src/pair_hbond_dreiding.txt b/doc/src/pair_hbond_dreiding.txt
index d4bdcd9258..9dd0bed87f 100644
--- a/doc/src/pair_hbond_dreiding.txt
+++ b/doc/src/pair_hbond_dreiding.txt
@@ -66,7 +66,7 @@ that the Morse form gives improved results for Dendrimer simulations,
 when n = 2.
 
 See the "Howto bioFF"_Howto_bioFF.html doc page for more information
-on the DREIDING forcefield.
+on the DREIDING force field.
 
 NOTE: Because the Dreiding hydrogen bond potential is only one portion
 of an overall force field which typically includes other pairwise
@@ -135,9 +135,9 @@ distance cutoff Rin (distance units)
 distance cutoff Rout (distance units)
 angle cutoff (degrees) :ul
 
-A single hydrogen atom type K can be specified, or a wild-card
-asterisk can be used in place of or in conjunction with the K
-arguments to select multiple types as hydrogens.  This takes the form
+A single hydrogen atom type K can be specified, or a wild-card asterisk
+can be used in place of or in conjunction with the K arguments to
+select multiple types as hydrogen atoms.  This takes the form
 "*" or "*n" or "n*" or "m*n".  See the "pair_coeff"_pair_coeff.html
 command doc page for details.
 
diff --git a/doc/src/pair_hybrid.txt b/doc/src/pair_hybrid.txt
index 97a5972bfb..59af479b9f 100644
--- a/doc/src/pair_hybrid.txt
+++ b/doc/src/pair_hybrid.txt
@@ -229,7 +229,7 @@ For use with the various "compute */tally"_compute_tally.html
 computes, the "pair_modify compute/tally"_pair_modify.html
 command can be used to selectively turn off processing of
 the compute tally styles, for example, if those pair styles
-(e.g. manybody styles) do not support this feature.
+(e.g. many-body styles) do not support this feature.
 
 See the "pair_modify"_pair_modify.html doc page for details on
 the specific syntax, requirements and restrictions.
@@ -270,7 +270,7 @@ atoms when the potential computes 3-body or 4-body interactions.
 
 However, you can still use the pair_coeff none setting or the
 "neigh_modify exclude"_neigh_modify.html command to exclude certain
-type pairs from the neighbor list that will be passed to a manybody
+type pairs from the neighbor list that will be passed to a many-body
 sub-style.  This will alter the calculations made by a many-body
 potential, since it builds its list of 3-body, 4-body, etc
 interactions from the pair list.  You will need to think carefully as
diff --git a/doc/src/pair_ilp_graphene_hbn.txt b/doc/src/pair_ilp_graphene_hbn.txt
index f048b16ccf..f9b500d066 100644
--- a/doc/src/pair_ilp_graphene_hbn.txt
+++ b/doc/src/pair_ilp_graphene_hbn.txt
@@ -40,7 +40,7 @@ in "(Kolmogorov)"_#Kolmogorov2.
 
 Where Tap(r_ij) is the taper function which provides a continuous
 cutoff (up to third derivative) for interatomic separations larger than
-r_c "(Maaravi)"_#Maaravi2. The definitons of each parameter in the above
+r_c "(Maaravi)"_#Maaravi2. The definitions of each parameter in the above
 equation can be found in "(Leven1)"_#Leven1 and "(Maaravi)"_#Maaravi2.
 
 
diff --git a/doc/src/pair_kolmogorov_crespi_z.txt b/doc/src/pair_kolmogorov_crespi_z.txt
index 912fca1657..a494c927b8 100644
--- a/doc/src/pair_kolmogorov_crespi_z.txt
+++ b/doc/src/pair_kolmogorov_crespi_z.txt
@@ -31,7 +31,7 @@ which is to take all normals along the z-axis.
 :c,image(Eqs/pair_kolmogorov_crespi_z.jpg)
 
 It is important to have a sufficiently large cutoff to ensure smooth forces.
-Energies are shifted so that they go continously to zero at the cutoff assuming
+Energies are shifted so that they go continuously to zero at the cutoff assuming
 that the exponential part of {Vij} (first term) decays sufficiently fast.
 This shift is achieved by the last term in the equation for {Vij} above.
 
diff --git a/doc/src/pair_lj.txt b/doc/src/pair_lj.txt
index 9c61e0bf25..40730d67a7 100644
--- a/doc/src/pair_lj.txt
+++ b/doc/src/pair_lj.txt
@@ -223,7 +223,7 @@ Note that the neighbor list cutoff for Coulomb interactions is
 effectively extended by a distance 2*qdist when using the TIP4P pair
 style, to account for the offset distance of the fictitious charges on
 O atoms in water molecules.  Thus it is typically best in an
-efficiency sense to use a LJ cutoff >= Coulomb cutoff + 2*qdist, to
+efficiency sense to use a LJ cutoff >= Coulombic cutoff + 2*qdist, to
 shrink the size of the neighbor list.  This leads to slightly larger
 cost for the long-range calculation, so you can test the trade-off for
 your model.
diff --git a/doc/src/pair_lj_long.txt b/doc/src/pair_lj_long.txt
index 47a554ef4f..9f95fc0347 100644
--- a/doc/src/pair_lj_long.txt
+++ b/doc/src/pair_lj_long.txt
@@ -97,7 +97,7 @@ neighbor list cutoff for Coulomb interactions is effectively extended
 by a distance 2*qdist when using the TIP4P pair style, to account for
 the offset distance of the fictitious charges on O atoms in water
 molecules.  Thus it is typically best in an efficiency sense to use a
-LJ cutoff >= Coulomb cutoff + 2*qdist, to shrink the size of the
+LJ cutoff >= Coulombic cutoff + 2*qdist, to shrink the size of the
 neighbor list.  This leads to slightly larger cost for the long-range
 calculation, so you can test the trade-off for your model.
 
diff --git a/doc/src/pair_lj_smooth.txt b/doc/src/pair_lj_smooth.txt
index 0c66dd0f66..d320cb83ff 100644
--- a/doc/src/pair_lj_smooth.txt
+++ b/doc/src/pair_lj_smooth.txt
@@ -34,7 +34,7 @@ cause the force to vary smoothly from the inner cutoff Rin to the
 outer cutoff Rc.
 
 At the inner cutoff the force and its 1st derivative
-will match the unsmoothed LJ formula.  At the outer cutoff the force
+will match the non-smoothed LJ formula.  At the outer cutoff the force
 and its 1st derivative will be 0.0.  The inner cutoff cannot be 0.0.
 
 NOTE: this force smoothing causes the energy to be discontinuous both
diff --git a/doc/src/pair_lj_soft.txt b/doc/src/pair_lj_soft.txt
index 967f88205f..4e400d1c0a 100644
--- a/doc/src/pair_lj_soft.txt
+++ b/doc/src/pair_lj_soft.txt
@@ -103,7 +103,7 @@ pair_coeff 1 1 1.0 9.5 :pre
 
 [Description:]
 
-The {lj/cut/soft} style and substyles compute the 12/6 Lennard-Jones
+The {lj/cut/soft} style and sub-styles compute the 12/6 Lennard-Jones
 and Coulomb potential modified by a soft core, in order to avoid
 singularities during free energy calculations when sites are created
 or annihilated "(Beutler)"_#Beutler,
@@ -179,13 +179,13 @@ before the optional eps14 and sigma14). The parameters n,
 alpha_LJ and alpha_C are set in the "pair_style"_pair_style.html
 command, before the cutoffs.
 
-The {coul/cut/soft}, {coul/long/soft} and {tip4p/long/soft} substyles
+The {coul/cut/soft}, {coul/long/soft} and {tip4p/long/soft} sub-styles
 are designed to be combined with other pair potentials via the
 "pair_style hybrid/overlay"_pair_hybrid.html command.  This is because
 they have no repulsive core.  Hence, if used by themselves, there will
 be no repulsion to keep two oppositely charged particles from
 overlapping each other. In this case, if lambda = 1, a singularity may
-occur.  These substyles are suitable to represent charges embedded in
+occur.  These sub-styles are suitable to represent charges embedded in
 the Lennard-Jones radius of another site (for example hydrogen atoms
 in several water models).
 
@@ -253,7 +253,7 @@ To avoid division by zero do not set sigma = 0; use the lambda
 parameter instead to activate/deactivate interactions, or use
 epsilon = 0 and sigma = 1. Alternatively, when sites do not
 interact though the Lennard-Jones term the {coul/long/soft} or
-similar substyle can be used via the
+similar sub-style can be used via the
 "pair_style hybrid/overlay"_pair_hybrid.html command.
 
 :line
diff --git a/doc/src/pair_modify.txt b/doc/src/pair_modify.txt
index c043fde5a7..4824a3d83e 100644
--- a/doc/src/pair_modify.txt
+++ b/doc/src/pair_modify.txt
@@ -183,7 +183,7 @@ an approximation. :l
 The tail corrections are computed at the beginning of each simulation
 run.  If the number of atoms changes during the run, e.g. due to atoms
 leaving the simulation domain, or use of the "fix gcmc"_fix_gcmc.html
-command, then the corrections are not updates to relect the changed
+command, then the corrections are not updated to reflect the changed
 atom count.  If this is a large effect in your simulation, you should
 break the long run into several short runs, so that the correction
 factors are re-computed multiple times.
diff --git a/doc/src/pair_nb3b_harmonic.txt b/doc/src/pair_nb3b_harmonic.txt
index 2b2152a873..3a6d1026ed 100644
--- a/doc/src/pair_nb3b_harmonic.txt
+++ b/doc/src/pair_nb3b_harmonic.txt
@@ -19,7 +19,7 @@ pair_coeff * * MgOH.nb3bharmonic Mg O H :pre
 
 [Description:]
 
-This pair style computes a nonbonded 3-body harmonic potential for the
+This pair style computes a non-bonded 3-body harmonic potential for the
 energy E of a system of atoms as
 
 :c,image(Eqs/pair_nb3b_harmonic.jpg)
@@ -60,7 +60,7 @@ other potentials. An example of a pair_coeff command for use with the
 
 pair_coeff * * nb3b/harmonic MgOH.nb3b.harmonic Mg O H
 
-Three-body nonbonded harmonic files in the {potentials} directory of
+Three-body non-bonded harmonic files in the {potentials} directory of
 the LAMMPS distribution have a ".nb3b.harmonic" suffix.  Lines that
 are not blank or comments (starting with #) define parameters for a
 triplet of elements.
diff --git a/doc/src/pair_oxdna.txt b/doc/src/pair_oxdna.txt
index b24e3c07df..153fc50189 100644
--- a/doc/src/pair_oxdna.txt
+++ b/doc/src/pair_oxdna.txt
@@ -61,7 +61,7 @@ for a detailed description of the oxDNA force field.
 NOTE: These pair styles have to be used together with the related oxDNA bond style
 {oxdna/fene} for the connectivity of the phosphate backbone (see also documentation of
 "bond_style oxdna/fene"_bond_oxdna.html). Most of the coefficients
-in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
+in the above example have to be kept fixed and cannot be changed without reparameterizing the entire model.
 Exceptions are the first and second coefficient after {oxdna/stk} (seq=seqdep and T=0.1 in the above example)
 and the first coefficient after {oxdna/hbond} (seq=seqdep in the above example).
 When using a Langevin thermostat, e.g. through "fix langevin"_fix_langevin.html
diff --git a/doc/src/pair_oxdna2.txt b/doc/src/pair_oxdna2.txt
index c5662abdeb..a928bdf886 100644
--- a/doc/src/pair_oxdna2.txt
+++ b/doc/src/pair_oxdna2.txt
@@ -67,7 +67,7 @@ and  "(Ouldridge)"_#Ouldridge2 for a detailed description of the oxDNA2 force fi
 NOTE: These pair styles have to be used together with the related oxDNA2 bond style
 {oxdna2/fene} for the connectivity of the phosphate backbone (see also documentation of
 "bond_style oxdna2/fene"_bond_oxdna.html). Most of the coefficients
-in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
+in the above example have to be kept fixed and cannot be changed without reparameterizing the entire model.
 Exceptions are the first and the second coefficient after {oxdna2/stk} (seq=seqdep and T=0.1 in the above example),
 the first coefficient after {oxdna/hbond} (seq=seqdep in the above example) and the three coefficients 
 after {oxdna2/dh} (T=0.1, rhos=1.0, qeff=0.815 in the above example). When using a Langevin thermostat
diff --git a/doc/src/pair_peri.txt b/doc/src/pair_peri.txt
index b6baa4edc5..5c5a41ca6c 100644
--- a/doc/src/pair_peri.txt
+++ b/doc/src/pair_peri.txt
@@ -36,7 +36,7 @@ pair_coeff * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 118.43 :pre
 [Description:]
 
 The peridynamic pair styles implement material models that can be used
-at the mescscopic and macroscopic scales.  See "this
+at the mesoscopic and macroscopic scales.  See "this
 document"_PDF/PDLammps_overview.pdf for an overview of LAMMPS commands
 for Peridynamics modeling.
 
@@ -63,7 +63,7 @@ R. Rahman and J. T. Foster at University of Texas at San Antonio.  The
 original VES formulation is described in "(Mitchell2011)" and the
 original EPS formulation is in "(Mitchell2011a)".  Additional PDF docs
 that describe the VES and EPS implementations are include in the
-LAMMPS distro in "doc/PDF/PDLammps_VES.pdf"_PDF/PDLammps_VES.pdf and
+LAMMPS distribution in "doc/PDF/PDLammps_VES.pdf"_PDF/PDLammps_VES.pdf and
 "doc/PDF/PDLammps_EPS.pdf"_PDF/PDLammps_EPS.pdf.  For questions
 regarding the VES and EPS models in LAMMPS you can contact R. Rahman
 (rezwanur.rahman at utsa.edu).
diff --git a/doc/src/pair_polymorphic.txt b/doc/src/pair_polymorphic.txt
index 7460044043..d9e73d8492 100644
--- a/doc/src/pair_polymorphic.txt
+++ b/doc/src/pair_polymorphic.txt
@@ -95,7 +95,7 @@ N element names = mapping of Tersoff elements to atom types :ul
 
 See the pair_coeff doc page for alternate ways to specify the path for
 the potential file.  Several files for polymorphic potentials are
-included in the potentials dir of the LAMMPS distro.  They have a
+included in the potentials dir of the LAMMPS distribution.  They have a
 "poly" suffix.
 
 As an example, imagine the SiC_tersoff.polymorphic file has tabulated
diff --git a/doc/src/pair_quip.txt b/doc/src/pair_quip.txt
index 1f794d0c84..30f1d80450 100644
--- a/doc/src/pair_quip.txt
+++ b/doc/src/pair_quip.txt
@@ -77,7 +77,7 @@ This pair style is part of the USER-QUIP package.  It is only enabled
 if LAMMPS was built with that package.  See the "Build
 package"_Build_package.html doc page for more info.
 
-QUIP potentials are parametrized in electron-volts and Angstroms and
+QUIP potentials are parameterized in electron-volts and Angstroms and
 therefore should be used with LAMMPS metal "units"_units.html.
 
 QUIP potentials are generally not designed to work with the scaling
@@ -93,7 +93,7 @@ because it may remove pairs from the neighbor list that are still
 required.
 
 Pair style {quip} cannot be used with pair style {hybrid}, only
-with {hybrid/overlay} and only the {quip} substyle is applied to
+with {hybrid/overlay} and only the {quip} sub-style is applied to
 all atom types.
 
 [Related commands:]
diff --git a/doc/src/pair_sdk.txt b/doc/src/pair_sdk.txt
index 06a0a42d5a..7c596ed1d8 100644
--- a/doc/src/pair_sdk.txt
+++ b/doc/src/pair_sdk.txt
@@ -48,7 +48,7 @@ given by
 
 :c,image(Eqs/pair_cmm.jpg)
 
-as required for the SDK Coarse-grained MD parametrization discussed in
+as required for the SDK Coarse-grained MD parameterization discussed in
 "(Shinoda)"_#Shinoda3 and "(DeVane)"_#DeVane.  Rc is the cutoff.
 
 Style {lj/sdk/coul/long} computes the adds Coulombic interactions
diff --git a/doc/src/pair_smd_tlsph.txt b/doc/src/pair_smd_tlsph.txt
index 44b0c6cae8..13ffbbabc1 100644
--- a/doc/src/pair_smd_tlsph.txt
+++ b/doc/src/pair_smd_tlsph.txt
@@ -33,7 +33,7 @@ pair style is defined. Note that {i} and {j} must be equal, i.e., no
 {tlsph} cross interactions between different particle types are
 allowed.  In contrast to the usual {LAMMPS} {pair coeff} definitions,
 which are given solely a number of floats and integers, the {tlsph}
-{pair coeff} definition is organised using keywords. These keywords
+{pair coeff} definition is organized using keywords. These keywords
 mark the beginning of different sets of parameters for particle
 properties, material constitutive models, and damage models. The {pair
 coeff} line must be terminated with the {*END} keyword. The use the
diff --git a/doc/src/pair_smd_ulsph.txt b/doc/src/pair_smd_ulsph.txt
index f28dd9043c..39e9c76841 100644
--- a/doc/src/pair_smd_ulsph.txt
+++ b/doc/src/pair_smd_ulsph.txt
@@ -37,7 +37,7 @@ pair style is defined. Note that {i} and {j} can be different, i.e.,
 allowed. However, {i}--{i} respectively {j}--{j} pair_coeff lines have
 to precede a cross interaction.  In contrast to the usual {LAMMPS}
 {pair coeff} definitions, which are given solely a number of floats
-and integers, the {ulsph} {pair coeff} definition is organised using
+and integers, the {ulsph} {pair coeff} definition is organized using
 keywords. These keywords mark the beginning of different sets of
 parameters for particle properties, material constitutive models, and
 damage models. The {pair coeff} line must be terminated with the
diff --git a/doc/src/pair_smtbq.txt b/doc/src/pair_smtbq.txt
index f3b69f2861..41e124a94f 100644
--- a/doc/src/pair_smtbq.txt
+++ b/doc/src/pair_smtbq.txt
@@ -28,7 +28,7 @@ is given by three contributions:
 
 where {E<sub>tot</sub>} is the total potential energy of the system,
 {E<sub>ES</sub>} is the electrostatic part of the total energy,
-{E<sub>OO</sub>} is the interaction between oxygens and
+{E<sub>OO</sub>} is the interaction between oxygen atoms and
 {E<sub>MO</sub>} is a short-range interaction between metal and oxygen
 atoms. This interactions depend on interatomic distance
 {r<sub>ij</sub>} and/or the charge {Q<sub>i</sub>} of atoms
@@ -107,7 +107,7 @@ Thus parameter &#956, indicated above, is given by : &#956 = (&#8730n
 
 The potential offers the possibility to consider the polarizability of
 the electron clouds of oxygen by changing the slater radius of the
-charge density around the oxygens through the parameters {rBB, rB and
+charge density around the oxygen atoms through the parameters {rBB, rB and
 rS} in the ffield.SMTBQ.Syst. This change in radius is performed
 according to the method developed by E. Maras
 "SMTB-Q_2"_#SMTB-Q_2. This method needs to determine the number of
@@ -142,7 +142,7 @@ For the anion (oxygen) :
 
 Name of element (char) and stoichiometry in oxide
 Formal charge and mass of element
-Principal quantic number of outer orbital ({n}), electronegativity ({&#967<sup>0</sup><sub>i</simulationub>}) and hardness ({J<sup>0</sup><sub>i</sub>})
+Principal quantum number of outer orbital ({n}), electronegativity ({&#967<sup>0</sup><sub>i</simulationub>}) and hardness ({J<sup>0</sup><sub>i</sub>})
  Ionic radius parameters  : max coordination number ({coordBB} = 6 by default), bulk coordination number {(coordB)}, surface coordination number  {(coordS)} and {rBB, rB and rS}  the slater radius for each coordination number. (<b>note : If you don't want to change the slater radius, use three identical radius values</b>)
 Number of orbital shared by the element in the oxide ({d<sub>i</sub>})
 Divided line :ul
diff --git a/doc/src/pair_spin_dmi.txt b/doc/src/pair_spin_dmi.txt
index bd605bd064..a040f27d68 100644
--- a/doc/src/pair_spin_dmi.txt
+++ b/doc/src/pair_spin_dmi.txt
@@ -37,7 +37,7 @@ and D is the DM vector defining the intensity (in eV) and the direction
 of the interaction.
 
 In "(Rohart)"_#Rohart, D is defined as the direction normal to the film oriented 
-from the high spin-orbit layer to the magnetic ultrathin film.
+from the high spin-orbit layer to the magnetic ultra-thin film.
 
 The application of a spin-lattice Poisson bracket to this energy (as described
 in "(Tranchida)"_#Tranchida5) allows to derive a magnetic torque omega, and a
diff --git a/doc/src/pair_spin_exchange.txt b/doc/src/pair_spin_exchange.txt
index 2f158704a9..fdbac9df3e 100644
--- a/doc/src/pair_spin_exchange.txt
+++ b/doc/src/pair_spin_exchange.txt
@@ -41,7 +41,7 @@ where a, b and d are the three constant coefficients defined in the associated
 
 The coefficients a, b, and d need to be fitted so that the function above matches with
 the value of the exchange interaction for the N neighbor shells taken into account.
-Examples and more explanations about this function and its parametrization are reported
+Examples and more explanations about this function and its parameterization are reported
 in "(Tranchida)"_#Tranchida3.
 
 From this exchange interaction, each spin i will be submitted 
@@ -69,7 +69,7 @@ b  (adim parameter)
 d  (distance units) :ul
 
 Note that rc is the radius cutoff of the considered exchange interaction,
-and a, b and d are the three coefficients performing the parametrization
+and a, b and d are the three coefficients performing the parameterization
 of the function J(rij) defined above.
 
 None of those coefficients is optional. If not specified, the 
diff --git a/doc/src/pair_spin_neel.txt b/doc/src/pair_spin_neel.txt
index 7af71021a0..4458a0767b 100644
--- a/doc/src/pair_spin_neel.txt
+++ b/doc/src/pair_spin_neel.txt
@@ -50,8 +50,8 @@ above matches with the values of the magneto-elastic constant of the
 materials at stake.
 
 Examples and more explanations about this function and its
-parametrization are reported in "(Tranchida)"_#Tranchida6. More
-examples of parametrization will be provided in future work.
+parameterization are reported in "(Tranchida)"_#Tranchida6. More
+examples of parameterization will be provided in future work.
 
 From this DM interaction, each spin i will be submitted to a magnetic
 torque omega and its associated atom to a force F (for spin-lattice
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index f6098fa005..8489815c62 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -205,7 +205,7 @@ pair"_Commands_pair.html doc page are followed by one or more of
 "lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff
 "lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald
 "lj/cut/soft"_pair_lj_soft.html - LJ with a soft core
-"lj/cut/thole/long"_pair_thole.html - LJ with Coulomibics with thole damping
+"lj/cut/thole/long"_pair_thole.html - LJ with Coulombics with thole damping
 "lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water
 "lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
 "lj/cut/tip4p/long/soft"_pair_lj_soft.html - LJ with cutoff Coulomb for TIP4P water with a soft core
@@ -242,7 +242,7 @@ pair"_Commands_pair.html doc page are followed by one or more of
 "morse/soft"_pair_morse.html - Morse potential with a soft core
 "multi/lucy"_pair_multi_lucy.html - DPD potential with density-dependent force
 "multi/lucy/rx"_pair_multi_lucy_rx.html - reactive DPD potential with density-dependent force
-"nb3b/harmonic"_pair_nb3b_harmonic.html - nonbonded 3-body harmonic potential
+"nb3b/harmonic"_pair_nb3b_harmonic.html - non-bonded 3-body harmonic potential
 "nm/cut"_pair_nm.html - N-M potential
 "nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb
 "nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics
diff --git a/doc/src/pair_sw.txt b/doc/src/pair_sw.txt
index ff83316419..33c3892c62 100644
--- a/doc/src/pair_sw.txt
+++ b/doc/src/pair_sw.txt
@@ -124,13 +124,13 @@ configuration. In the literature, however, the three-body parameters
 are usually defined by simple formulas involving two sets of pair-wise
 parameters, corresponding to the ij and ik pairs, where i is the
 center atom. The user must ensure that the correct combining rule is
-used to calculate the values of the threebody parameters for
+used to calculate the values of the three-body parameters for
 alloys. Note also that the function phi3 contains two exponential
 screening factors with parameter values from the ij pair and ik
 pairs. So phi3 for a C atom bonded to a Si atom and a second C atom
 will depend on the three-body parameters for the CSiC entry, and also
 on the two-body parameters for the CCC and CSiSi entries. Since the
-order of the two neighbors is arbitrary, the threebody parameters for
+order of the two neighbors is arbitrary, the three-body parameters for
 entries CSiC and CCSi should be the same.  Similarly, the two-body
 parameters for entries SiCC and CSiSi should also be the same.  The
 parameters used only for two-body interactions (A, B, p, and q) in
diff --git a/doc/src/pair_tri_lj.txt b/doc/src/pair_tri_lj.txt
index 98bb4e284e..75108c0743 100644
--- a/doc/src/pair_tri_lj.txt
+++ b/doc/src/pair_tri_lj.txt
@@ -52,7 +52,7 @@ spheres.  It the diameter is larger than sigma_II, then split the
 triangle into 2 triangles by bisecting its longest side.  Repeat the
 process on each sub-triangle, recursing as far as needed to generate a
 set of covering spheres.  When finished, the original criteria are
-met, and the set of covering spheres shoule be near minimal in number
+met, and the set of covering spheres should be near minimal in number
 and overlap, at least for input triangles with a reasonable
 aspect-ratio.
 
diff --git a/doc/src/read_data.txt b/doc/src/read_data.txt
index 6aa30d9e63..7669b78f85 100644
--- a/doc/src/read_data.txt
+++ b/doc/src/read_data.txt
@@ -220,7 +220,7 @@ A data file has a header and a body.  The header appears first.  The
 first line of the header is always skipped; it typically contains a
 description of the file.  Then lines are read one at a time.  Lines
 can have a trailing comment starting with '#' that is ignored.  If the
-line is blank (only whitespace after comment is deleted), it is
+line is blank (only white-space after comment is deleted), it is
 skipped.  If the line contains a header keyword, the corresponding
 value(s) is read from the line.  If it doesn't contain a header
 keyword, the line begins the body of the file.
@@ -249,7 +249,7 @@ standard header settings, such as the number of atoms.
 The formatting of individual lines in the data file (indentation,
 spacing between words and numbers) is not important except that header
 and section keywords (e.g. atoms, xlo xhi, Masses, Bond Coeffs) must
-be capitalized as shown and can't have extra white space between their
+be capitalized as shown and can't have extra white-space between their
 words - e.g. two spaces or a tab between the 2 words in "xlo xhi" or
 the 2 words in "Bond Coeffs", is not valid.
 
@@ -577,7 +577,7 @@ atom-type = type of atom (1-Ntype)
 bodyflag = 1 for body particles, 0 for point particles
 cc = chemical concentration for tDPD particles for each species (mole/volume units)
 contact-radius = ??? (distance units)
-cs_re,cs_im = real/imaginary parts of wavepacket coefficients
+cs_re,cs_im = real/imaginary parts of wave packet coefficients
 cv = heat capacity (need units) for SPH particles
 density = density of particle (mass/distance^3 or mass/distance^2 or mass/distance units, depending on dimensionality of particle)
 diameter = diameter of spherical atom (distance units)
@@ -586,7 +586,7 @@ edpd_temp = temperature for eDPD particles (temperature units)
 edpd_cv = volumetric heat capacity for eDPD particles (energy/temperature/volume units)
 ellipsoidflag = 1 for ellipsoidal particles, 0 for point particles
 eradius = electron radius (or fixed-core radius)
-etag = integer ID of electron that each wavepacket belongs to
+etag = integer ID of electron that each wave packet belongs to
 kernel-radius = ??? (distance units)
 lineflag = 1 for line segment particles, 0 for point or spherical particles
 mass = mass of particle (mass units)
@@ -620,7 +620,7 @@ to 0.
 
 The molecule ID is a 2nd identifier attached to an atom.  Normally, it
 is a number from 1 to N, identifying which molecule the atom belongs
-to.  It can be 0 if it is an unbonded atom or if you don't care to
+to.  It can be 0 if it is a non-bonded atom or if you don't care to
 keep track of molecule assignments.
 
 The diameter specifies the size of a finite-size spherical particle.
@@ -682,7 +682,7 @@ were used in the input script, each atom line would have these fields:
 atom-ID atom-type x y z q diameter density :pre
 
 Note that if a non-standard value is defined by multiple sub-styles,
-it must appear mutliple times in the atom line.  E.g. the atom line
+it must appear multiple times in the atom line.  E.g. the atom line
 for atom_style hybrid dipole full would list "q" twice:
 
 atom-ID atom-type x y z q mux muy myz molecule-ID q :pre
diff --git a/doc/src/read_dump.txt b/doc/src/read_dump.txt
index db9cfca825..fbcc89a453 100644
--- a/doc/src/read_dump.txt
+++ b/doc/src/read_dump.txt
@@ -119,7 +119,7 @@ Support for other dump format readers may be added in the future.
 Global information is first read from the dump file, namely timestep
 and box information.
 
-The dump file is scanned for a snapshot with a time stamp that matches
+The dump file is scanned for a snapshot with a timestamp that matches
 the specified {Nstep}.  This means the LAMMPS timestep the dump file
 snapshot was written on for the {native} format.  Note that the {xyz}
 and {molfile} formats do not store the timestep.  For these formats,
diff --git a/doc/src/run_style.txt b/doc/src/run_style.txt
index 9defd1314e..bf13d20439 100644
--- a/doc/src/run_style.txt
+++ b/doc/src/run_style.txt
@@ -191,7 +191,7 @@ hybrid/overlay"_pair_hybrid.html command.  In this scenario, different
 sub-styles of the hybrid pair style are evaluated at different rRESPA
 levels.  This can be useful, for example, to set different timesteps
 for hybrid coarse-grained/all-atom models.  The {hybrid} keyword
-requires as many level assignments as there are hybrid substyles,
+requires as many level assignments as there are hybrid sub-styles,
 which assigns each sub-style to a rRESPA level, following their order
 of definition in the pair_style command. Since the {hybrid} keyword
 operates on pair style computations, it is mutually exclusive with
diff --git a/doc/src/server_mc.txt b/doc/src/server_mc.txt
index 58ca415be3..638d3dadfb 100644
--- a/doc/src/server_mc.txt
+++ b/doc/src/server_mc.txt
@@ -60,7 +60,7 @@ pages for more details on the actual library syntax.  The "cs" object
 in this pseudo code is a pointer to an instance of the CSlib.
 
 See the src/MESSAGE/server_mc.cpp file for details on how LAMMPS uses
-these messages.  See the examples/COUPLE/lammmps_mc/mc.cpp file for an
+these messages.  See the examples/COUPLE/lammps_mc/mc.cpp file for an
 example of how an MC driver code can use these messages.
 
 Define NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5.
diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt
index 753542dc75..fc9ae5d53a 100644
--- a/doc/src/server_md.txt
+++ b/doc/src/server_md.txt
@@ -119,7 +119,7 @@ The units for various quantities that are sent and received iva
 messages are defined for atomic-scale simulations in the table below.
 The client and server codes (including LAMMPS) can use internal units
 different than these (e.g. "real units"_units.html in LAMMPS), so long
-as they convert to these units for meesaging.
+as they convert to these units for messaging.
 
 COORDS, ORIGIN, BOX = Angstroms
 CHARGE = multiple of electron charge (1.0 is a proton)
diff --git a/doc/src/special_bonds.txt b/doc/src/special_bonds.txt
index e90535e65f..f932f51c47 100644
--- a/doc/src/special_bonds.txt
+++ b/doc/src/special_bonds.txt
@@ -61,9 +61,9 @@ Tersoff, COMB, AIREBO, and ReaxFF.  In fact, it generally makes no
 sense to define permanent bonds between atoms that interact via these
 potentials, though such bonds may exist elsewhere in your system,
 e.g. when using the "pair_style hybrid"_pair_hybrid.html command.
-Thus LAMMPS ignores special_bonds settings when manybody potentials
+Thus LAMMPS ignores special_bonds settings when many-body potentials
 are calculated.  Please note, that the existence of explicit bonds
-for atoms that are described by a manybody potential will alter the
+for atoms that are described by a many-body potential will alter the
 neighbor list and thus can render the computation of those interactions
 invalid, since those pairs are not only used to determine direct
 pairwise interactions but also neighbors of neighbors and more.
diff --git a/doc/src/suffix.txt b/doc/src/suffix.txt
index 62e41ed29a..e9fae44088 100644
--- a/doc/src/suffix.txt
+++ b/doc/src/suffix.txt
@@ -46,7 +46,7 @@ run on one or more GPUs or multicore CPU/GPU nodes :ulb,l
 
 USER-INTEL = a collection of pair styles and neighbor routines
 optimized to run in single, mixed, or double precision on CPUs and
-Intel(R) Xeon Phi(TM) coprocessors. :l
+Intel(R) Xeon Phi(TM) co-processors. :l
 
 KOKKOS = a collection of atom, pair, and fix styles optimized to run
 using the Kokkos library on various kinds of hardware, including GPUs
diff --git a/doc/src/tad.txt b/doc/src/tad.txt
index 9b34a68636..effb998f94 100644
--- a/doc/src/tad.txt
+++ b/doc/src/tad.txt
@@ -18,7 +18,7 @@ t_event = timestep interval between event checks :l
 T_lo = temperature at which event times are desired :l
 T_hi = temperature at which MD simulation is performed :l
 delta = desired confidence level for stopping criterion :l
-tmax = reciprocal of lowest expected preexponential factor (time units) :l
+tmax = reciprocal of lowest expected pre-exponential factor (time units) :l
 compute-ID = ID of the compute used for event detection :l
 zero or more keyword/value pairs may be appended :l
 keyword = {min} or {neb} or {min_style} or {neb_style} or {neb_log} :l
diff --git a/doc/src/timer.txt b/doc/src/timer.txt
index 4025af9ea6..6da74ca153 100644
--- a/doc/src/timer.txt
+++ b/doc/src/timer.txt
@@ -19,7 +19,7 @@ timer args :pre
   {full} = like {normal} but also include CPU and thread utilization
   {sync} = explicitly synchronize MPI tasks between sections
   {nosync} = do not synchronize MPI tasks between sections (default)
-  {timeout} elapse = set walltime limit to {elapse}
+  {timeout} elapse = set wall time limit to {elapse}
   {every} Ncheck = perform timeout check every {Ncheck} steps :pre
 
 [Examples:]
@@ -57,13 +57,13 @@ though it can also slow down the simulation by prohibiting overlapping
 independent computations on different MPI ranks  Using the {nosync}
 setting (which is the default) turns this synchronization off.
 
-With the {timeout} keyword a walltime limit can be imposed, that
+With the {timeout} keyword a wall time limit can be imposed, that
 affects the "run"_run.html and "minimize"_minimize.html commands.
 This can be convenient when calculations have to comply with execution
 time limits, e.g. when running under a batch system when you want to
 maximize the utilization of the batch time slot, especially for runs
 where the time per timestep varies much and thus it becomes difficult
-to predict how many steps a simulation can perform for a given walltime
+to predict how many steps a simulation can perform for a given wall time
 limit. This also applies for difficult to converge minimizations.
 The timeout {elapse} value should be somewhat smaller than the maximum
 wall time requested from the batch system, as there is usually
diff --git a/doc/src/units.txt b/doc/src/units.txt
index 8df8fe6810..844504d977 100644
--- a/doc/src/units.txt
+++ b/doc/src/units.txt
@@ -201,13 +201,13 @@ The units command also sets the timestep size and neighbor skin
 distance to default values for each style:
 
 For style {lj} these are dt = 0.005 tau and skin = 0.3 sigma.
-For style {real} these are dt = 1.0 fmsec and skin = 2.0 Angstroms.
-For style {metal} these are dt = 0.001 psec and skin = 2.0 Angstroms.
-For style {si} these are dt = 1.0e-8 sec and skin = 0.001 meters.
-For style {cgs} these are dt = 1.0e-8 sec and skin = 0.1 cm.
-For style {electron} these are dt = 0.001 fmsec and skin = 2.0 Bohr.
-For style {micro} these are dt = 2.0 microsec and skin = 0.1 micrometers.
-For style {nano} these are dt = 0.00045 nanosec and skin = 0.1 nanometers. :ul
+For style {real} these are dt = 1.0 femtoseconds and skin = 2.0 Angstroms.
+For style {metal} these are dt = 0.001 picoseconds and skin = 2.0 Angstroms.
+For style {si} these are dt = 1.0e-8 seconds and skin = 0.001 meters.
+For style {cgs} these are dt = 1.0e-8 seconds and skin = 0.1 centimeters.
+For style {electron} these are dt = 0.001 femtoseconds and skin = 2.0 Bohr.
+For style {micro} these are dt = 2.0 microseconds and skin = 0.1 micrometers.
+For style {nano} these are dt = 0.00045 nanoseconds and skin = 0.1 nanometers. :ul
 
 [Restrictions:]
 
diff --git a/doc/src/variable.txt b/doc/src/variable.txt
index a8d50503ac..77c1f6eeb0 100644
--- a/doc/src/variable.txt
+++ b/doc/src/variable.txt
@@ -339,7 +339,7 @@ below.
 The rules for formatting the file are as follows.  A comment character
 "#" can be used anywhere on a line; text starting with the comment
 character is stripped.  Blank lines are skipped.  The first "word" of
-a non-blank line, delimited by white space, is the "string" assigned
+a non-blank line, delimited by white-space, is the "string" assigned
 to the variable.
 
 For the {atomfile} style, a filename is provided which contains one or
@@ -358,7 +358,7 @@ The rules for formatting the file are as follows.  Each time a set of
 per-atom values is read, a non-blank line is searched for in the file.
 A comment character "#" can be used anywhere on a line; text starting
 with the comment character is stripped.  Blank lines are skipped.  The
-first "word" of a non-blank line, delimited by white space, is read as
+first "word" of a non-blank line, delimited by white-space, is read as
 the count N of per-atom lines to immediately follow.  N can be be the
 total number of atoms in the system, or only a subset.  The next N
 lines have the following format

From 4251c70e93c6a1a606969bf906f06e2f97d4bd5b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 00:08:07 -0500
Subject: [PATCH 157/273] update list of false positives for spellchecking

---
 doc/utils/sphinx-config/false_positives.txt | 605 +++++++++++++++-----
 1 file changed, 460 insertions(+), 145 deletions(-)

diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index febd5c20a0..538ee2b8e3 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -2,37 +2,38 @@ aa
 aat
 abc
 abf
+ABI
+abo
+Abramyan
 absTol
 Acc
+Accelerys
 Accelrys
 acceptor
 Acceptor
 acceptors
-accomodate
 accuracies
 ach
-achived
-achives
 ackland
 Ackland
 acolor
 acos
 Acta
 actinide
-adaptation
 addforce
+Addington
 addtorque
+adf
 Adhikari
 adiam
+adim
 Adjiman
 adof
 adp
 Adri
-adusting
 advect
 advection
 advects
-afer
 affine
 Afshar
 agilio
@@ -49,6 +50,7 @@ Aktulga
 al
 alain
 Alain
+Alamos
 alat
 Albe
 alchemical
@@ -65,11 +67,17 @@ alond
 Alonso
 amap
 Amatrix
+amino
+Amirjalayer
 Amit
 amu
 Amzallag
+analytical
+Anders
 Andzelm
 Ang
+anglegrad
+angletangrad
 angmom
 angmomx
 angmomy
@@ -79,12 +87,13 @@ anharmonic
 anharmonicity
 aniso
 anisotropic
+anisotropy
 ansi
 antiquewhite
 Antisymmetrized
 antisymmetry
+anton
 Antonelli
-aperiodic
 api
 Appl
 Apu
@@ -92,8 +101,8 @@ arccos
 arcsin
 arg
 args
-artefacts
 Arun
+arXiv
 asin
 Askari
 askoose
@@ -101,8 +110,7 @@ asphere
 ASPHERE
 aspherical
 Asq
-assinged
-associdate
+assignee
 Asta
 Astart
 Astop
@@ -114,12 +122,11 @@ atc
 AtC
 ATC
 athomps
-atobody
+atm
 atomeye
 atomfile
 atomID
 atomistic
-atomt
 attogram
 attograms
 attrac
@@ -128,7 +135,6 @@ Atwater
 atwt
 augt
 AuO
-autocorrelation
 automagically
 Avalos
 avalue
@@ -139,33 +145,36 @@ AVX
 awpmd
 AWPMD
 Axel
+Axilrod
 Ay
 Ayton
 Az
+Azevedo
 azimuthal
+Azuri
 ba
 Babadi
 backcolor
-backend
 Baczewski
 Bal
 balancer
+Balankura
 Balasubramanian
+Balatsky
 Ballenegger
 Bammann
 Barashev
 barostat
-barostated
-barostating
+Barostats
 barostatted
 barostatting
 Barostatting
-barosttating
 Barrat
 Bartels
 barycenter
 barye
 Bashford
+bashrc
 Baskes
 Batra
 Bayly
@@ -173,6 +182,7 @@ bb
 bcc
 bcolor
 bdiam
+bdw
 Beckman
 behaviour
 Belak
@@ -187,12 +197,14 @@ berger
 Berkowitz
 berlin
 Berne
+Bertotti
 Beutler
 bgq
 Bh
-biaxial
 Biersack
+bigbig
 bigint
+Bij
 bilayer
 bilayers
 binsize
@@ -205,6 +217,7 @@ Biosym
 bisectioning
 bispectrum
 Bispectrum
+bitbucket
 bitmapped
 bitrate
 bitrates
@@ -215,53 +228,70 @@ blocksize
 blueviolet
 bn
 bni
+bo
+Bochum
+bocs
 bodyflag
+bodyforce
 bodystyle
 Bogaerts
 Bogusz
 Bohrs
+Boltzman
 bondchk
-bondings
 bondmax
 bondtype
 Bonet
+Bonomi
 boolean
+boostostat
+boostostatting
 Boresch
 Botero
 Botu
 Bouguet
-bount
 boxcolor
 bpclermont
 br
+Branduardi
 Branicio
 brennan
 Brilliantov
 Broadwell
+Broglie
 brownian
 brownw
 Bryantsev
+Btarget
 btype
 buckPlusAttr
-bugfixes
 Bulatov
+Bureekaew
 burlywood
 Bussi
+Buturigakkwaishi
 Buyl
 Bybee
 bz
 cadetblue
+calibre
 caltech
 Caltech
+Camilloni
+Camiloni
 Campana
 Cao
 Capolungo
 Caro
 cartesian
+Caswell
 Cates
+Cavium
+Cawkwell
 cbecker
 ccache
 ccmake
+ccNspecies
 CCu
 cd
 cdeam
@@ -269,7 +299,6 @@ cdennist
 cdof
 ceil
 Ceil
-centre
 centro
 centroid
 Centroid
@@ -285,20 +314,26 @@ CFL
 cgdna
 CGDNA
 cgs
+cgsdk
+CGSDK
 Chalopin
 Champaign
 charmm
-charmmfsw
-charmmfsh
-charmm
 CHARMM
+charmmfsh
+charmmfsw
+Chaudhuri
+checkbox
 checkmark
 checkqeq
+chemistries
+Chemnitz
 Cheng
 Chenoweth
 chiral
 chirality
 Cho
+chris
 Christoph
 Chu
 chunkID
@@ -310,6 +345,7 @@ cis
 civ
 clearstore
 Clebsch
+clemson
 Clermont
 clo
 Clovertown
@@ -325,6 +361,7 @@ cn
 cN
 Cn
 cna
+cnp
 cnr
 coaxstk
 codebase
@@ -333,41 +370,41 @@ Coeff
 CoefficientN
 coeffs
 Coeffs
+Coker
 Colberg
 coleman
 Colliex
 collinear
+collisional
+Columic
 colvars
 Colvars
 COLVARS
 comID
 Commun
-complier
 compressibility
 compressive
 Comput
 computable
 compute
-concetric
+concat
 cond
 Condens
+conf
 config
 configfile
 configurational
 conformational
-conjuction
-consiting
-continously
 Contrib
 coord
 Coord
 CoordN
 coords
-coprocessor
-coprocessors
 coreshell
 cornflowerblue
 cornsilk
+corotate
+corotational
 correlator
 cosineshifted
 cossq
@@ -377,7 +414,6 @@ coul
 coulombic
 Coulombic
 Coulombics
-Coulommbic
 Courant
 covalent
 covalently
@@ -386,17 +422,20 @@ cpp
 cpu
 createatoms
 createAtoms
+crespi
+Crespi
 Critchley
 crossterm
-crossterms
+Crowson
 Crozier
-crystallisation
 Crystallogr
 Csanyi
 csh
 cshrc
 CSiC
 csld
+cslib
+CSlib
 cstyle
 csvr
 Ctypes
@@ -404,6 +443,9 @@ cuda
 Cuda
 CUDA
 CuH
+Curk
+customIDs
+cutbond
 cuthi
 cutinner
 cutlo
@@ -444,23 +486,26 @@ darkturquoise
 darkviolet
 Das
 Dasgupta
+dat
 datafile
 datums
 Davidchack
 Daw
 dcd
+dcub
+Dcut
 de
 dE
 De
 debye
 Debye
+Decius
 decompositions
+decrementing
 deeppink
 deepskyblue
-defauls
 defgrad
 deformable
-degress
 del
 Dellago
 delocalization
@@ -468,28 +513,33 @@ delocalized
 delr
 deltaHf
 Dendrimer
-dendtritic
+dendritic
 Denniston
 dephase
 dephasing
-depositied
 dequidt
 Dequidt
 der
+derekt
 Derjagin
 Derlet
 Deserno
 Destree
 detils
 Devanathan
+devel
 Devemy
 deviatoric
 Devine
 df
 dfftw
 DFT
+dftb
+dh
+dhex
 dia
 diag
+diagonalization
 diagonalized
 Diallo
 diel
@@ -511,24 +561,26 @@ discoverable
 discretization
 discretized
 disp
-displacment
 dissipative
 Dissipative
-distro
-divdes
 dl
 dlambda
 DLAMMPS
+dll
 dlopen
 dm
 dmax
 Dmax
+dmi
+dnf
+Dobson
 Dodds
 dodgerblue
 dof
 Donadio
 dotc
 Doty
+doxygen
 Doye
 dpd
 DPD
@@ -549,11 +601,13 @@ DRUDE
 dsf
 dsmc
 dt
+dtheta
 du
 dU
 Dudarev
 Duin
 Dullweber
+dumpfile
 Dunbrack
 Dunweg
 Dupont
@@ -567,6 +621,7 @@ dy
 dyne
 dynes
 Dyre
+Dzyaloshinskii
 Eaa
 Eaat
 Eacn
@@ -575,26 +630,35 @@ eangle
 eatom
 Eba
 ebond
+ebook
 ebt
+ec
 Ec
 ecoul
 ecp
+edgeIDs
 edihed
 edim
 edip
+edpd
+eDPD
 edu
 ee
 Eebt
+ees
 eFF
 efield
 eflux
+eg
 Eggebrecht
-ehanced
 ehex
 eHEX
 Ei
 Eigen
 Eigensolve
+eij
+Eij
+Eijnden
 Eike
 eim
 eimp
@@ -612,8 +676,13 @@ Elj
 Ellad
 ellipsoidflag
 elong
+Elsevier
+Elsner
+Elstner
 elt
 emacs
+emax
+Emax
 Embt
 emi
 emol
@@ -626,16 +695,22 @@ engilitycorp
 engrot
 engtrans
 engvib
+enobonds
 enthalpy
+enums
 envoke
 eos
 epair
 epcc
+epl
 Epp
 Epq
 eps
 Epton
+epub
+ePUB
 eq
+eqal
 eqch
 Eqp
 Eqq
@@ -647,11 +722,11 @@ equilibrated
 equilibrating
 equilibration
 Equilibria
-equilibribum
 equilization
 eradius
 erate
 erc
+erf
 erfc
 Erhart
 erorate
@@ -659,11 +734,14 @@ erose
 erotate
 Ertas
 ervel
+Espanol
 esu
 esub
+esw
 et
 etag
 etap
+ETarget
 ethernet
 etol
 etot
@@ -682,14 +760,18 @@ excitations
 excv
 exe
 executables
+extep
 extrema
+exy
 ey
 ez
 factorizable
 factorizations
+Fahrenberger
 Faken
 Farago
 Fasolino
+Fath
 Fava
 fbMC
 Fc
@@ -712,6 +794,7 @@ Ferrand
 fexternal
 Fexternal
 ffield
+ffl
 ffmpeg
 FFmpeg
 ffplay
@@ -720,13 +803,17 @@ fftbench
 fftw
 fhg
 Fi
+Fichthorn
+Fickian
 figshare
 Fij
+filelink
 filename
-filenames
 Filename
+filenames
 Filenames
 fileper
+filesystem
 Fincham
 Finchham
 Finnis
@@ -741,24 +828,31 @@ flagN
 flagVF
 fld
 floralwhite
+Florez
 flv
 fmackay
 fmag
 fmass
+fmm
 fmsec
+fmx
+fmy
+fmz
 fN
 Fn
 fname
 fno
+Fnudge
 foces
 Fock
 Fogarty
 Foiles
 fopenmp
-forcefield
 forestgreen
 formulae
+Forschungszentrum
 Fortran
+Fosado
 fourier
 fp
 fphi
@@ -767,19 +861,21 @@ fplo
 Fqq
 Fraige
 framerate
+Frauenheim
 Fraunhofer
 Freitas
 Frenkel
 Friedrichs
-frontend
-Frontends
 fs
+fsh
 fstyle
+fsw
 ftol
 fugacity
 Fumi
 func
 funcs
+functionalities
 functionals
 funroll
 fx
@@ -797,8 +893,10 @@ ganzenmueller
 Ganzenmuller
 Gao
 Gathert
+Gaus
 gauss
 gaussian
+gaussians
 Gaussians
 Gavhane
 gayberne
@@ -823,11 +921,13 @@ gif
 gifsicle
 Gillan
 Gingold
+Gissinger
 github
-Github
 gjf
 gjwagne
 gl
+gladky
+Gladky
 gld
 gle
 globbing
@@ -837,11 +937,13 @@ gmail
 gmake
 gmask
 Gmask
+googlemail
 Gordan
 GPa
 gpu
 gpuID
 gpus
+gradV
 graining
 Graining
 Grama
@@ -855,30 +957,36 @@ grem
 gREM
 Grest
 Grigera
+Grimme
 grmask
 Grmask
 gromacs
 Gromacs
+gromos
 Gronbech
 Groot
 groupbig
+grp
 Grueneisen
 gsmooth
 gstyle
 GTL
+Gubbins
+Guericke
 gui
-guidline
 Gumbsch
 Gunsteren
 Gunzenmuller
 Guo
-gwald
+gw
 gz
 gzipped
 Haak
 Hafskjold
 Halperin
+Halver
 Hamaker
+Hamel
 haptic
 Hara
 Harpertown
@@ -886,9 +994,12 @@ Harting
 Hartree
 Hartrees
 Hasan
+Haswell
+Haugk
 Hayoun
 Hayre
 hbcut
+hbn
 hbnewflag
 hbond
 hcp
@@ -901,7 +1012,6 @@ Henin
 Henkelman
 henrich
 Henrich
-heristics
 Herrmann
 Hertizian
 hertzian
@@ -914,12 +1024,14 @@ HfO
 hgrid
 Hibbs
 Higdon
+Hijazi
 Hilger
 histo
 histogrammed
 histogramming
 hmaktulga
 hoc
+Hochbruck
 Hofling
 Holian
 Holm
@@ -934,27 +1046,32 @@ Hoyt
 hstyle
 html
 hTST
+https
 hu
+Hueckel
+Huetter
+Hugonio
 hugoniostat
 Hugoniostat
 Hugoniot
 Hura
+hux
 hwloc
-hydrogens
+hydrophobicity
 hydrostatic
 hydrostatically
 Hynninen
 Hyoungki
+hyperdynamics
 hyperradius
 hyperspherical
-hyperthreaded
-Hyperthreading
+Ibanez
 ibar
 ibm
 icc
-icosohedral
+ico
+icosahedral
 idealgas
-ideaology
 IDR
 ielement
 ieni
@@ -969,6 +1086,7 @@ ik
 Ikeshoji
 ilmenau
 Ilmenau
+ilp
 Ilya
 im
 Im
@@ -977,10 +1095,8 @@ Imageint
 Imagemagick
 imd
 Impey
-imporopers
 impropers
 Impropers
-imroper
 includelink
 incompressible
 incrementing
@@ -997,7 +1113,6 @@ init
 initializations
 InP
 inregion
-integrations
 integrators
 Integrators
 intel
@@ -1006,10 +1121,11 @@ interal
 interatomic
 Interatomic
 interconvert
-intergation
 interial
+interlayer
 intermolecular
 interstitials
+Intr
 intra
 intramolecular
 ints
@@ -1020,9 +1136,11 @@ ionocovalent
 iparam
 ipi
 ipp
+IPv
 IPython
 Isele
 isenthalpic
+ish
 iso
 isodemic
 isoenergetic
@@ -1038,6 +1156,7 @@ Ith
 Itsets
 itype
 itypeN
+iva
 Ivector
 Iw
 ixcm
@@ -1063,11 +1182,13 @@ izz
 Izz
 Jacobsen
 jagreat
+Jalalvand
 james
 Janssens
 Jaramillo
 Jarzynski
 jatempl
+jcp
 jea
 jec
 Jeffers
@@ -1079,10 +1200,12 @@ Jiao
 jik
 JIK
 jku
+jN
 Joannopoulos
 Jochim
 Jonsson
 Jorgensen
+jp
 jparam
 jpeg
 jpeglib
@@ -1092,7 +1215,11 @@ jpl
 Jth
 jtype
 jtypeN
+Juelich
 Julien
+junghans
+Junghans
+Jungnickel
 Jupyter
 Justo
 Jusufi
@@ -1105,17 +1232,23 @@ Kalia
 Kamberaj
 Kapfer
 Karlsruhe
+Karniadakis
 Karplus
 Karttunen
 kate
+Katsnelson
+Katsura
 Kaufmann
+Kawata
 Kayser
 kb
 kB
 kbit
 kbits
 kcal
+kcl
 Kd
+KDevelop
 ke
 KE
 Keblinski
@@ -1126,6 +1259,7 @@ Kelkar
 Kemper
 Keyes
 Khersonskii
+Khrapak
 Khvostov
 Ki
 kim
@@ -1138,27 +1272,35 @@ kmax
 Kmax
 knl
 Kohlmeyer
+Kohn
 kokkos
 Kolafa
 Kollman
+kolmogorov
+Kolmogorov
 Kondor
 konglt
 Koning
 Kooser
 Koskinen
+Koster
 Kosztin
 Kp
 Kraker
 Kraus
 Kremer
 Kress
+Kronik
 kspace
 Kspace
 KSpace
 Kspring
 kT
+kTequil
 kth
 Kth
+kTln
+ktypeN
 Kub
 Kubo
 Kumagai
@@ -1181,11 +1323,14 @@ Landron
 langevin
 Langevin
 Langston
+lanl
 larentzos
 Larentzos
 Laroche
 lars
 latencies
+Latour
+latourr
 lattce
 Laupretre
 lavenderblush
@@ -1197,9 +1342,11 @@ lcbop
 ld
 ldfftw
 ldg
+Lebold
 Lechman
 Lehoucq
 Leimkuhler
+Leite
 leiu
 lemonchiffon
 Lenart
@@ -1208,24 +1355,37 @@ Lennard
 Lenosky
 Lett
 Leuven
+Leven
 Lewy
 lgvdw
 Liang
+libatc
 libAtoms
+libawpmd
+libch
+libcolvars
 libdir
+libdl
+libfftw
+libgcc
 libgpu
 libjpeg
 liblammps
 Liblammps
 liblink
 libmeam
+libmessage
 libmpi
 libmpich
+libplumed
+libplumedKernel
 libpng
 libpoems
+libqmmm
 librar
 libreax
 libs
+Lifshitz
 ligand
 lightblue
 lightcoral
@@ -1242,6 +1402,7 @@ lightsteelblue
 lightyellow
 Likhtman
 limegreen
+linalg
 Lindahl
 lineflag
 lineforce
@@ -1254,6 +1415,7 @@ Littmark
 Liu
 Livermore
 lj
+llammps
 lm
 lmp
 lmpptr
@@ -1272,8 +1434,11 @@ lookups
 Lookups
 LoopVar
 Lorant
+lorenz
+lossless
 lossy
 lps
+lpsapi
 lrt
 lsfftw
 ltbbmalloc
@@ -1281,17 +1446,23 @@ lubricateU
 lucy
 Lussetti
 Lustig
+lwsock
 lx
 ly
 Lybrand
 Lyulin
 lz
+Maaravi
 Mackay
 Mackrodt
 macroparticle
 Madura
 Magda
+Magdeburg
+magelec
 Maginn
+magneton
+mainboard
 mainboards
 makefile
 Makefile
@@ -1303,6 +1474,7 @@ malloc
 Malolepsza
 Manby
 Mandadapu
+Mandelli
 Manh
 manifoldforce
 Manolopoulos
@@ -1313,10 +1485,14 @@ Marrink
 Marsaglia
 Marseille
 Martyna
+Masaglia
 Mashayak
+Massimilliano
 massless
 masstotal
+Masuhiro
 Matchett
+Materias
 matlab
 matplotlib
 Mattox
@@ -1324,24 +1500,31 @@ Mattson
 maxangle
 maxbond
 maxeval
+maxfiles
 Maxfoo
+maxima
 maxit
 maxiter
 maxsize
 maxspecial
 maxSteps
+maxstrain
 maxX
+Mayergoyz
 mbt
 Mbytes
 MBytes
+mc
 McLachlan
 md
 mdf
+mdpd
+mDPD
 meam
+MEAMC
 meamf
+meanDist
 mech
-mechanice
-mechanim
 Mecke
 mediumaquamarine
 mediumblue
@@ -1364,24 +1547,26 @@ membered
 Mendelev
 mer
 Meremianin
+Mersenne
 Merz
-mescscopic
 meshless
 meso
-mesocopic
 mesoparticle
 mesoscale
 mesoscopic
 metadynamics
 Metadynamics
+Methfessel
 methine
 Metin
+meV
 Mezei
 mgpt
 MGPT
 mgptfast
 mh
 micelle
+micelles
 michael
 michele
 Mickel
@@ -1389,7 +1574,6 @@ microcanonical
 microelastic
 microporous
 Microscale
-microsec
 midnightblue
 mie
 Mie
@@ -1406,6 +1590,7 @@ minorder
 minSteps
 mintcream
 Mintmire
+Miron
 mis
 Mises
 Mishin
@@ -1417,19 +1602,24 @@ mK
 mkdir
 mkv
 mlparks
-mlutiple
+Mniszewski
+mnt
+mobi
 modc
 Modell
 modelled
 modelling
 Modelling
 Modine
+mofff
+MOFFF
+Mohd
 mol
 Mol
 molfile
 Molfile
 moltemplate
-momoner
+momb
 Monaghan
 Monaghans
 monodisperse
@@ -1438,22 +1628,29 @@ monovalent
 Montalenti
 Montero
 Morefoo
+Morfill
+Mori
+Moriya
 morris
 Morriss
 morse
+Morteza
+Mosayebi
 Moseler
 Moskalev
 mov
 mpi
-Mpi
 MPI
 mpicc
+mpiCC
 mpich
+mpicolor
 mpicxx
 mpiexec
 mpiio
 mpirun
 mplayer
+Mryglod
 mscg
 MSCG
 msd
@@ -1466,6 +1663,7 @@ Mtchell
 Mth
 mtk
 Mtotal
+muB
 Muccioli
 Mukherjee
 Mulders
@@ -1474,6 +1672,7 @@ multibody
 Multibody
 multicenter
 multicmd
+multicomponent
 multicore
 multielectron
 multinode
@@ -1487,8 +1686,7 @@ Murdick
 Murtola
 Murty
 Muser
-mutli
-mutliple
+Muto
 muVT
 mux
 muy
@@ -1496,6 +1694,7 @@ muz
 mv
 mV
 Mvapich
+mvv
 MxN
 myCompute
 myIndex
@@ -1503,11 +1702,15 @@ mylammps
 mysocket
 myTemp
 myVec
+na
 nabla
+Nagaosa
 Nakano
 namespace
 namespaces
+nan
 NaN
+Nandor
 Nangletype
 nangletypes
 Nangletypes
@@ -1517,10 +1720,11 @@ Nanoletters
 nanometer
 nanometers
 nanoparticles
-nanosec
+nanotubes
 Narulkar
 nasa
 nasr
+natively
 Natoli
 natoms
 Natoms
@@ -1554,20 +1758,25 @@ Ndof
 Ndouble
 ndx
 neb
+neel
+Neel
 Neelov
-neighbouring
+Negre
 nelem
 Nelement
 Nelements
 nemd
 netcdf
+Nettleton
 Neumann
+Nevent
 nevery
 Nevery
 Newns
 newtype
 Neyts
 Nf
+nfft
 nfile
 Nfile
 Nfreq
@@ -1576,15 +1785,18 @@ Ng
 nghost
 Nghost
 Ngpu
+Ngyuen
 nh
 nharmonic
 nhc
 NiAlH
 Nicklas
+Niklasson
 Nimpropertype
 Ninteger
 Nissila
 nist
+nitride
 nitrides
 niu
 Nk
@@ -1594,6 +1806,7 @@ Nlines
 nlocal
 Nlocal
 Nlog
+nlp
 nm
 Nm
 Nmax
@@ -1606,8 +1819,7 @@ nocoeff
 nodeless
 noforce
 Noid
-Nonbond
-nonbonded
+nolib
 nonequilibrium
 nongauss
 nonGaussian
@@ -1650,29 +1862,33 @@ Ns
 Nsample
 nsec
 Nskip
+Nspecies
 nsq
 Nstart
 nstats
 Nstep
 Nsteplast
 Nstop
+nsub
 Nswap
 Nt
 Ntable
 ntheta
 nthreads
 Ntptask
+Ntriples
 Ntype
 ntypes
 Ntypes
 nucleotides
-nulcear
 num
 numa
 numactl
+numericalfreedom
 numerics
 numpy
 Numpy
+Nurdin
 Nvalue
 Nvaluelast
 Nvalues
@@ -1691,13 +1907,15 @@ ny
 Ny
 nz
 Nz
+ocl
 octahedral
 octants
 ohenrich
 ok
-OKeefe
-OKeefe
+Okabe
+Okamoto
 O'Keefe
+OKeefe
 oldlace
 Oleinik
 Olfason
@@ -1707,6 +1925,7 @@ omegaDD
 omegax
 omegay
 omegaz
+Omelyan
 omp
 OMP
 onelevel
@@ -1716,12 +1935,10 @@ ons
 OO
 openKIM
 OpenMP
+openmpi
 opls
 Oppelstrup
-optionns
 orangered
-orderomg
-organised
 organometallic
 orientational
 orientorder
@@ -1729,20 +1946,20 @@ Orlikowski
 ornl
 Ornstein
 Orsi
+ortho
 orthonormal
 orthorhombic
 ot
 Ouldridge
+outfile
 outmost
 outpur
 outputss
-outut
+Ouyang
 overlayed
-overviewed
 Ovito
 oxdna
 oxDNA
-oxygens
 padua
 Padua
 palegoldenrod
@@ -1756,7 +1973,6 @@ papayawhip
 paquay
 Paquay
 parallelepiped
-parallelipiped
 Parallelizable
 parallelization
 parallelized
@@ -1766,19 +1982,18 @@ parameterization
 parameterizations
 parameterize
 parameterized
-parametrization
-parametrized
 params
-Parinello
 parmin
 Parrinello
 Partay
-partices
 Particuology
 pastewka
 Pastewka
+pathangle
+Patomtrans
 Pattnaik
 Pavese
+Paxton
 pbc
 pc
 pchain
@@ -1786,23 +2001,26 @@ Pchain
 Pdamp
 pdb
 pdf
+pdfs
 pdim
 pe
 Peachey
 peachpuff
 Pearlman
 Pedersen
+peID
 Peng
+peptide
 peratom
-perfoms
 Pergamon
 peri
-Peridymaics
 peridynamic
 Peridynamic
 peridynamics
 Peridynamics
+perl
 permittivity
+perp
 Perram
 persp
 Persp
@@ -1812,18 +2030,20 @@ Pettifor
 pfactor
 ph
 Phillpot
+phiphi
 phonon
 phophorous
 phosphide
+Phs
 Physica
 physik
+Piaggi
 picocoulomb
 picocoulombs
 picogram
 picograms
 picosecond
 picoseconds
-picosend
 pid
 Pieter
 pimd
@@ -1839,7 +2059,10 @@ plog
 ploop
 PloS
 plt
+plumedfile
 pmb
+Pmolrotate
+Pmoltrans
 pN
 png
 Poiseuille
@@ -1849,18 +2072,20 @@ polarizability
 polarizable
 Polarizable
 polarizables
+polarizer
 Politano
 polyA
 polybond
 polydisperse
 polydispersity
+polyhedra
 popen
 popstore
+Poresag
 pos
 Poschel
 posix
 Postma
-postprocessing
 potin
 Pourtois
 powderblue
@@ -1870,14 +2095,16 @@ prd
 pre
 Pre
 prec
-preexponential
+preceed
+preceeded
+precession
 prefactor
 prefactors
 prepend
 preprint
-preprocessor
 printf
 printflag
+priori
 Priya
 proc
 Proc
@@ -1896,13 +2123,15 @@ pstyle
 Ptarget
 pthread
 pthreads
+ptm
+PTM
 ptr
 pu
 purdue
-pushded
 pushstore
 pvar
 pw
+pwqmmm
 px
 Px
 pxx
@@ -1913,6 +2142,7 @@ Py
 pydir
 pylammps
 PyLammps
+pymodule
 pymol
 pypar
 Pyy
@@ -1923,9 +2153,11 @@ qbmsst
 qcore
 qdist
 qE
+qeff
 qeq
 QeQ
 QEq
+qfactor
 qfile
 qi
 Qi
@@ -1940,8 +2172,8 @@ qoffload
 qopenmp
 qoverride
 qtb
+quadrupolar
 Quant
-quantic
 quartic
 quaternion
 quaternions
@@ -1950,6 +2182,10 @@ quatj
 quatk
 quatw
 Queteschiner
+qw
+qx
+qy
+qz
 radian
 radians
 Rafferty
@@ -1957,7 +2193,9 @@ rahman
 Rahman
 Raman
 ramped
+ramping
 Ramprasad
+Randisi
 randomizations
 Raphson
 Rappe
@@ -1971,32 +2209,32 @@ Rcut
 rcutfac
 rdc
 rdf
+RDideal
 README
 realtime
 reamin
 reax
+REAXC
 ReaxFF
-rebalance
-rebalancing
 rebo
-recentered
-recentering
 recursing
 Ree
+refactored
 regoin
 Reinders
-relect
-relesed
+reinit
+relink
 relTol
 remappings
-remediate
 Ren
 Rendon
+reneighbor
 reneighboring
 Reneighboring
 reneighborings
 Rensselaer
-reparametrizing
+reparameterizing
+repo
 representable
 repuls
 rescale
@@ -2011,7 +2249,9 @@ responder
 resquared
 REsquared
 restartfile
+restartinfo
 rethrowing
+Revenga
 rewrap
 rezwanur
 rfac
@@ -2023,15 +2263,20 @@ rheological
 rhodo
 Rhodo
 rhodopsin
+rhok
+rhorho
 rhosum
+ri
 Ri
 Ribiere
 richard
 rigidID
 rigidify
 rij
+rIJ
 Rij
 RIj
+Rik
 Rin
 Rino
 RiRj
@@ -2040,10 +2285,18 @@ Rix
 Riy
 rj
 Rj
+Rjinner
+RjinnerN
 Rjk
 rjones
+Rjouter
+RjouterN
 rk
 rkf
+Rkinner
+RkinnerN
+Rkouter
+RkouterN
 rmask
 Rmask
 rmax
@@ -2052,24 +2305,32 @@ rmdir
 rmin
 Rmin
 RMS
+rmsd
+rnage
 rNEMD
 ro
+Rochus
 Rockett
+Rohart
 Ronchetti
 Rosati
 Rossky
 rosybrown
 rotationally
-rotationsl
+Rovigatti
 royalblue
 rozero
 Rperp
+Rr
 rRESPA
 Rspace
+rsq
+Rubensson
 Rubia
 Rudd
 Rudra
 Rudranarayan
+Rudzinski
 Runge
 runtime
 Rutuparna
@@ -2084,11 +2345,14 @@ saed
 safezone
 Safran
 Sagui
+Saidi
 Salles
 sandia
 Sandia
 sandybrown
 sc
+scafacos
+SCAFACOS
 scalability
 scalable
 Scalable
@@ -2096,32 +2360,43 @@ scalexy
 scalexz
 scaleyz
 Schaik
+Schilfgarde
+Schiotz
 Schlitter
 Schmid
 Schoen
+Schotte
 Schulten
 Schunk
+Schuring
 Schwen
-scriping
 Scripta
 sdk
+sdpd
+SDPD
 seagreen
 Secor
+sectoring
 sed
 segmental
+Seifert
 sellerio
 Sellerio
+Semaev
 semiaxes
 semimetals
 Semin
 Sensable
+Sep
+seqdep
+Serpico
 setfl
 setforce
+Sethna
 setmask
 Setmask
 setpoint
 setvel
-severeal
 sfftw
 Sg
 Shan
@@ -2137,7 +2412,6 @@ Shenderova
 Shiga
 Shinoda
 shockvel
-shoule
 si
 SiC
 Siepmann
@@ -2145,8 +2419,8 @@ Sij
 Sikandar
 Silbert
 Silling
+Sim
 Simul
-simulataneous
 simulations
 Sinnott
 sinusoid
@@ -2157,18 +2431,23 @@ Sival
 sizeI
 sizeJ
 sizex
+sj
 sjplimp
 sjtu
 skyblue
+Skylake
 slateblue
 slategray
 slater
 Slepoy
-sligthly
 Sliozberg
+sLLG
 sllod
+sm
+smallbig
 smallint
 Smallint
+smallsmall
 smd
 SMD
 smi
@@ -2181,9 +2460,9 @@ snapcoeff
 snaphots
 snapparam
 snav
+Snodin
 Sodani
 Soderlind
-softed
 solvated
 Sorensen
 soundspeed
@@ -2194,18 +2473,23 @@ Spearot
 Spellmeyer
 sph
 SPH
-spheriods
+Spickermann
+splined
 spparks
 Springer
 springgreen
+spx
+spz
 sqrt
 src
 srd
+Srinivasan
 Srolovitz
 srp
 srun
 ss
 ssao
+stamoor
 stamoore
 stanford
 Starikov
@@ -2217,6 +2501,7 @@ statvolt
 stdin
 steelblue
 Stegailov
+Steinbach
 Steinhardt
 Steinhauser
 Stepaniants
@@ -2234,6 +2519,7 @@ stopstep
 Stouch
 Straatsma
 Stratford
+Strathclyde
 Straub
 strcmp
 streitz
@@ -2242,29 +2528,25 @@ Streiz
 strided
 strietz
 Stukowski
-stylecomputes
 Su
 subbox
 subcutoff
-subdirectory
-subdomains
-subinterval
-subintervals
 Subramaniyan
 subscripted
 subscripting
-substeps
-substyle
-substyles
 sudo
+Sugaku
+Suhai
 Sukumaran
+Sulc
 sumsq
 Sunderland
 superset
 supersphere
 Supinski
-surc
 surfactants
+Sutmann
+svn
 sw
 Swegat
 swiggle
@@ -2278,72 +2560,77 @@ symplectic
 Synechococcus
 sys
 sysdim
-sysmte
 Syst
 Sz
 Tabbernor
 tabinner
 Tadmor
+Tafipolsky
+tagID
 tagint
 Tait
 taitwater
 Tajkhorshid
+Tamaskovics
 tanh
+Tartakovsky
 taskset
 taubi
+tb
 tchain
 Tchain
 Tcom
 tcsh
 tdamp
+tdpd
+tDPD
 Tdrude
 Technolgy
 Telsa
 tempCorrCoeff
 templated
 Templeton
+Tequil
 ters
 tersoff
 Tersoff
 tesselation
-tesselations
 Tetot
 tex
+tfac
 tfmc
 tfMC
 th
 Thakkar
-Thakker
 thb
 thei
 Theor
 thermalization
 thermalize
 thermalized
+Thermalized
 thermalizing
+Thermalizing
 thermo
 thermochemical
 thermochemistry
-thermodynamic
 thermodynamically
 Thermophysical
-thermostate
-thermostated
-thermostates
-thermostating
-Thermostating
 thermostatted
 thermostatting
 Thermostatting
 Thes
 Thess
 Thexe
+Thiaville
+Thibaudeau
 Thijsse
 Thirumalai
-threebody
 thrid
+ThunderX
 thylakoid
 THz
+Tigran
 Tij
 Tildesley
 timespan
@@ -2368,7 +2655,9 @@ Tmin
 tmp
 tN
 Tobias
+tokyo
 tol
+toolchain
 topologies
 Torder
 torsions
@@ -2381,25 +2670,32 @@ tptask
 tqx
 tqy
 tqz
+traceless
 tradeoff
 traj
+Tranchida
 transferability
 translational
+Translational
 trate
 Tref
 Tretyakov
 tri
 triangleflag
+Tribello
 triclinic
+Triclinic
 triflag
 trigonal
 trilinear
+Trinkle
 tripflag
 tris
 trj
 trott
 Trott
 Trung
+Trushin
 tscale
 Tschopp
 Tsige
@@ -2408,6 +2704,7 @@ Tstart
 tstat
 Tstop
 Tsuzuki
+tt
 Tt
 TThis
 ttm
@@ -2416,6 +2713,7 @@ Tuckerman
 tue
 Turkand
 Tutein
+tweakable
 twobody
 twojmax
 Tx
@@ -2429,10 +2727,14 @@ ub
 Uberuaga
 uChem
 uCond
+uef
+UEF
+ufm
 Uhlenbeck
 Ui
 uk
 ul
+ulb
 uloop
 ulsph
 uMech
@@ -2440,7 +2742,6 @@ umin
 Umin
 un
 unary
-unbonded
 uncomment
 uncompute
 underprediction
@@ -2457,7 +2758,6 @@ unphysical
 unphysically
 unscaled
 unsets
-unshifted
 unsmoothed
 unsolvated
 unsplit
@@ -2466,9 +2766,11 @@ untar
 untilted
 upenn
 upto
+Urbakh
 Urbana
 usec
 userguide
+username
 usr
 util
 utils
@@ -2483,23 +2785,24 @@ valgrind
 Valone
 valuev
 Valuev
-valus
-valuse
+Vanden
+varavg
 Varshalovich
 Varshney
 vashishta
 Vashishta
+vasp
 vcm
 Vcm
 vdim
 vdisplace
+vdW
 vec
 vectorial
 vectorization
+Vectorization
 vectorized
-Vectorized
 vel
-velocites
 Verlag
 verlet
 Verlet
@@ -2514,13 +2817,13 @@ Virial
 virialmode
 virials
 virtualenv
-virutal
 viscoelastic
 viscoelasticity
 viscosities
 viscously
 vizplotgui
 Vj
+Vkl
 vlo
 vmax
 vmd
@@ -2529,6 +2832,7 @@ VMDHOME
 vn
 Voigt
 volfactor
+Volpe
 volpress
 volumetric
 von
@@ -2542,6 +2846,7 @@ Voth
 vpz
 vratio
 Vries
+Vsmall
 Vstream
 vtarget
 vtk
@@ -2564,31 +2869,33 @@ Waals
 Wadley
 wallstyle
 walltime
-warmup
-wavefunction
+Waltham
 wavepacket
-wavepackets
-wavevector
 wB
 Wbody
+webpage
 Weckner
+WeinenE
 Wennberg
 Westview
+wget
 Whelan
-whenthe
 whitesmoke
-whitespace
 Wi
 Wicaksono
 wih
+Wijk
 wildcard
+Wildcard
 Wirnsberger
 wirtes
 witin
 wn
 Wolde
+workflow
 Worley
 Wriggers
+Wuppertal
 Wurtzite
 www
 wx
@@ -2603,11 +2910,13 @@ xb
 Xc
 xcm
 Xcm
+Xcode
 xCORE
 Xeon
 xflag
 xhi
 xHost
+Xiaohu
 Xiaowang
 xk
 xlat
@@ -2621,6 +2930,7 @@ Xmovie
 xmu
 Xmu
 XP
+xplane
 XPlor
 xrd
 xs
@@ -2634,6 +2944,7 @@ xyz
 xz
 xzhou
 Yamada
+Yazdani
 Ybar
 ybox
 Yc
@@ -2652,6 +2963,7 @@ yu
 Yu
 yukawa
 Yukawa
+Yusof
 yx
 yy
 yz
@@ -2660,9 +2972,11 @@ zbl
 ZBL
 Zc
 zcm
+Zeeman
 Zepeda
 zflag
 Zhang
+Zhen
 zhi
 Zhou
 Zhu
@@ -2673,6 +2987,7 @@ Ziegenhain
 Zj
 zlim
 zlo
+zmq
 zN
 zs
 zsu

From 4c021dad3783625d91b43cc8a4facfd142d53bb1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 00:09:11 -0500
Subject: [PATCH 158/273] port spell fixes to source code

---
 src/KSPACE/pppm_disp.h | 2 +-
 src/input.cpp          | 4 ++--
 src/input.h            | 4 ++--
 src/lammps.h           | 2 +-
 4 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/KSPACE/pppm_disp.h b/src/KSPACE/pppm_disp.h
index 786a865978..ccbeb60f3c 100644
--- a/src/KSPACE/pppm_disp.h
+++ b/src/KSPACE/pppm_disp.h
@@ -489,7 +489,7 @@ Self-explanatory.
 
 E: KSpace accuracy too large to estimate G vector
 
-Reduce the accuracy request or specify gwald explicitly
+Reduce the accuracy request or specify gewald explicitly
 via the kspace_modify command.
 
 E: Could not compute grid size for Coulomb interaction
diff --git a/src/input.cpp b/src/input.cpp
index 8af8da26be..f88c8ca0c0 100644
--- a/src/input.cpp
+++ b/src/input.cpp
@@ -429,14 +429,14 @@ char *Input::nextword(char *str, char **next)
     start += 3;
     *next = stop+3;
     if (**next && !isspace(**next))
-      error->all(FLERR,"Input line quote not followed by whitespace");
+      error->all(FLERR,"Input line quote not followed by white-space");
   } else if (*start == '"' || *start == '\'') {
     stop = strchr(&start[1],*start);
     if (!stop) error->all(FLERR,"Unbalanced quotes in input line");
     start++;
     *next = stop+1;
     if (**next && !isspace(**next))
-      error->all(FLERR,"Input line quote not followed by whitespace");
+      error->all(FLERR,"Input line quote not followed by white-space");
   } else {
     stop = &start[strcspn(start," \t\n\v\f\r")];
     if (*stop == '\0') *next = stop;
diff --git a/src/input.h b/src/input.h
index 080accc1ce..47ad7779f1 100644
--- a/src/input.h
+++ b/src/input.h
@@ -173,9 +173,9 @@ E: Unbalanced quotes in input line
 No matching end double quote was found following a leading double
 quote.
 
-E: Input line quote not followed by whitespace
+E: Input line quote not followed by white-space
 
-An end quote must be followed by whitespace.
+An end quote must be followed by white-space.
 
 E: Invalid variable name
 
diff --git a/src/lammps.h b/src/lammps.h
index 5ccef3026e..151b4fc49b 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -170,7 +170,7 @@ The size of the MPI datatype does not match the size of a bigint.
 
 E: Small to big integers are not sized correctly
 
-This error occurs whenthe sizes of smallint, imageint, tagint, bigint,
+This error occurs when the sizes of smallint, imageint, tagint, bigint,
 as defined in src/lmptype.h are not what is expected.  Contact
 the developers if this occurs.
 

From 981f56840e7f573048770ca4235b05be410d6193 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 00:30:45 -0500
Subject: [PATCH 159/273] update workflow tips for checking new LAMMPS
 contributions

---
 doc/github-development-workflow.md | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/doc/github-development-workflow.md b/doc/github-development-workflow.md
index 31fd3f23f0..07887bd742 100644
--- a/doc/github-development-workflow.md
+++ b/doc/github-development-workflow.md
@@ -104,7 +104,9 @@ Here are some items to check:
   * new style docs should be added to the "overview" files in
   `doc/src/Commands_*.txt`, `doc/src/{fixes,computes,pairs,bonds,...}.txt`
   and `doc/src/lammps.book`
-  * new files in packages should be added to `src/.gitignore`
+  * check whether manual cleanly translates with `make html` and `make pdf`
+  * check spelling of manual with `make spelling` in doc folder
+  * new source files in packages should be added to `src/.gitignore`
   * removed or renamed files in packages should be added to `src/Purge.list`
   * C++ source files should use C++ style include files for accessing
   C-library APIs, e.g. `#include <cstdlib>` instead of `#include <stdlib.h>`.

From 9f960baa4ff980410e31ea90cf0cc3c52612e93d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 09:17:02 -0500
Subject: [PATCH 160/273] restore USER-ATM package data files taken from CVS
 repo

---
 examples/USER/atc/elastic/temp.init           |  4631 ++
 .../USER/atc/fluids/concentration_init.data   |  1121 +
 examples/USER/atc/fluids/interface_init.data  |  1117 +
 examples/USER/atc/fluids/post_eq.init         |  2601 +
 examples/USER/atc/fluids/temp.init            |  2601 +
 examples/USER/atc/fluids/velocities.init      |   407 +
 examples/USER/atc/fluids/waternve.atm         |  3995 +
 examples/USER/atc/hardy/nvt.init              |  1020 +
 examples/USER/atc/mesh/circle_temp.init       |  3607 +
 examples/USER/atc/mesh/semicircle.init        |  6359 ++
 examples/USER/atc/mesh/si_semicircle.init     | 69277 ++++++++++++++++
 examples/USER/atc/mesh/temp.init              |  4631 ++
 .../USER/atc/molecule/harmonic_bonds.init     |  4727 ++
 examples/USER/atc/molecule/quartic_bonds.data |  4727 ++
 examples/USER/atc/molecule/water.init         |  8170 ++
 examples/USER/atc/molecule/waterequil.init    | 28465 +++++++
 examples/USER/atc/thermal/all_atoms.init      |  4055 +
 examples/USER/atc/thermal/temp.init           |  2903 +
 examples/USER/atc/two_temperature/cutout.init |  2039 +
 examples/USER/atc/two_temperature/temp.init   |  6935 ++
 .../atc/two_temperature/uniform_exchange.init |  6935 ++
 .../atc/two_temperature/uniform_heating.init  |  4631 ++
 22 files changed, 174954 insertions(+)
 create mode 100644 examples/USER/atc/elastic/temp.init
 create mode 100644 examples/USER/atc/fluids/concentration_init.data
 create mode 100644 examples/USER/atc/fluids/interface_init.data
 create mode 100644 examples/USER/atc/fluids/post_eq.init
 create mode 100644 examples/USER/atc/fluids/temp.init
 create mode 100644 examples/USER/atc/fluids/velocities.init
 create mode 100644 examples/USER/atc/fluids/waternve.atm
 create mode 100644 examples/USER/atc/hardy/nvt.init
 create mode 100644 examples/USER/atc/mesh/circle_temp.init
 create mode 100644 examples/USER/atc/mesh/semicircle.init
 create mode 100644 examples/USER/atc/mesh/si_semicircle.init
 create mode 100644 examples/USER/atc/mesh/temp.init
 create mode 100644 examples/USER/atc/molecule/harmonic_bonds.init
 create mode 100644 examples/USER/atc/molecule/quartic_bonds.data
 create mode 100644 examples/USER/atc/molecule/water.init
 create mode 100644 examples/USER/atc/molecule/waterequil.init
 create mode 100644 examples/USER/atc/thermal/all_atoms.init
 create mode 100644 examples/USER/atc/thermal/temp.init
 create mode 100644 examples/USER/atc/two_temperature/cutout.init
 create mode 100644 examples/USER/atc/two_temperature/temp.init
 create mode 100644 examples/USER/atc/two_temperature/uniform_exchange.init
 create mode 100644 examples/USER/atc/two_temperature/uniform_heating.init

diff --git a/examples/USER/atc/elastic/temp.init b/examples/USER/atc/elastic/temp.init
new file mode 100644
index 0000000000..d3b65f6e2b
--- /dev/null
+++ b/examples/USER/atc/elastic/temp.init
@@ -0,0 +1,4631 @@
+LAMMPS data file from restart file: timestep = 0, procs = 1
+
+2304 atoms
+
+1 atom types
+
+-4.7324074499999995e+01 4.7324074499999995e+01 xlo xhi
+-1.5774691499999999e+01 1.5774691499999999e+01 ylo yhi
+-1.5774691499999999e+01 1.5774691499999999e+01 zlo zhi
+
+Masses
+
+1 39.95
+
+Pair Coeffs
+
+1 0.2381 3.405
+
+Atoms
+
+1 1 -4.0751286374999999e+01 -1.4460133875000000e+01 -1.4460133875000000e+01 -512 -512 -512
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+3 1 -3.8122171125000001e+01 -1.4460133875000000e+01 -1.1831018624999999e+01 -512 -512 -512
+4 1 -4.0751286374999999e+01 -1.1831018624999999e+01 -1.1831018624999999e+01 -512 -512 -512
+5 1 -3.5493055875000003e+01 -1.4460133875000000e+01 -1.4460133875000000e+01 -512 -512 -512
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diff --git a/examples/USER/atc/fluids/concentration_init.data b/examples/USER/atc/fluids/concentration_init.data
new file mode 100644
index 0000000000..539bd771ee
--- /dev/null
+++ b/examples/USER/atc/fluids/concentration_init.data
@@ -0,0 +1,1121 @@
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diff --git a/examples/USER/atc/fluids/interface_init.data b/examples/USER/atc/fluids/interface_init.data
new file mode 100644
index 0000000000..982e26ebf6
--- /dev/null
+++ b/examples/USER/atc/fluids/interface_init.data
@@ -0,0 +1,1117 @@
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diff --git a/examples/USER/atc/fluids/post_eq.init b/examples/USER/atc/fluids/post_eq.init
new file mode 100644
index 0000000000..cb9810741c
--- /dev/null
+++ b/examples/USER/atc/fluids/post_eq.init
@@ -0,0 +1,2601 @@
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diff --git a/examples/USER/atc/fluids/temp.init b/examples/USER/atc/fluids/temp.init
new file mode 100644
index 0000000000..a635d54a56
--- /dev/null
+++ b/examples/USER/atc/fluids/temp.init
@@ -0,0 +1,2601 @@
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diff --git a/examples/USER/atc/fluids/velocities.init b/examples/USER/atc/fluids/velocities.init
new file mode 100644
index 0000000000..15191879e5
--- /dev/null
+++ b/examples/USER/atc/fluids/velocities.init
@@ -0,0 +1,407 @@
+LAMMPS data file from restart file: timestep = 0, procs = 1
+
+192 atoms
+
+1 atom types
+
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+0.0000000000000000e+00 2.2876100128000001e+01 zlo zhi
+
+Masses
+
+1 39.948
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+Pair Coeffs
+
+1 0.2381 3.405
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diff --git a/examples/USER/atc/fluids/waternve.atm b/examples/USER/atc/fluids/waternve.atm
new file mode 100644
index 0000000000..8073aef2e7
--- /dev/null
+++ b/examples/USER/atc/fluids/waternve.atm
@@ -0,0 +1,3995 @@
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diff --git a/examples/USER/atc/hardy/nvt.init b/examples/USER/atc/hardy/nvt.init
new file mode 100644
index 0000000000..079e5121bb
--- /dev/null
+++ b/examples/USER/atc/hardy/nvt.init
@@ -0,0 +1,1020 @@
+LAMMPS data file from restart file: timestep = 1000, procs = 1
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diff --git a/examples/USER/atc/mesh/circle_temp.init b/examples/USER/atc/mesh/circle_temp.init
new file mode 100644
index 0000000000..0255a2c39a
--- /dev/null
+++ b/examples/USER/atc/mesh/circle_temp.init
@@ -0,0 +1,3607 @@
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diff --git a/examples/USER/atc/mesh/semicircle.init b/examples/USER/atc/mesh/semicircle.init
new file mode 100644
index 0000000000..157df3ea52
--- /dev/null
+++ b/examples/USER/atc/mesh/semicircle.init
@@ -0,0 +1,6359 @@
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diff --git a/examples/USER/atc/mesh/si_semicircle.init b/examples/USER/atc/mesh/si_semicircle.init
new file mode 100644
index 0000000000..11ba9c78cb
--- /dev/null
+++ b/examples/USER/atc/mesh/si_semicircle.init
@@ -0,0 +1,69277 @@
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diff --git a/examples/USER/atc/mesh/temp.init b/examples/USER/atc/mesh/temp.init
new file mode 100644
index 0000000000..c316b2f4c9
--- /dev/null
+++ b/examples/USER/atc/mesh/temp.init
@@ -0,0 +1,4631 @@
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diff --git a/examples/USER/atc/molecule/harmonic_bonds.init b/examples/USER/atc/molecule/harmonic_bonds.init
new file mode 100644
index 0000000000..9e7b18e882
--- /dev/null
+++ b/examples/USER/atc/molecule/harmonic_bonds.init
@@ -0,0 +1,4727 @@
+
+
+      2100    atoms
+      2600    bonds
+         0    angles
+         0    dihedrals
+         0    impropers
+
+         4    atom types
+         1    bond types
+
+      -6.54473000       6.54473000   xlo xhi
+      -6.54473000       6.54473000   ylo yhi
+      -6.54473000       6.54473000   zlo zhi
+
+Atoms
+
+     1      1  4   0.00    3.1312   -3.4487    0.0619     -1      0      0
+     2      1  1   0.00    3.3139   -3.9521   -0.7947     -1      0      0
+     3      1  1   0.00    3.3570   -4.1740   -1.8680     -1      0      0
+     4      2  4   0.00   -2.7485    5.5431   -0.2604      0     -1      0
+     5      2  1   0.00   -2.4261    6.2933   -0.8372      0     -1      0
+     6      2  1   0.00   -3.0811   -6.0948   -1.2326      0      0      0
+     7      3  4   0.00   -5.0191   -0.5740    1.0470      0     -1      0
+     8      3  1   0.00   -4.2591   -0.3321    1.8617      0     -1      0
+     9      3  1   0.00   -4.1726    0.4819    2.2905      0     -1      0
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+    13      5  4   0.00   -2.8714    2.4206   -5.4022      0      0      0
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+  1947    824  1   0.00   -0.2386   -1.9083    3.9547      0      0      0
+  1948    824  1   0.00   -0.7683   -1.6162    3.2464      0      0      0
+  1949    825  1   0.00   -5.1499    4.0784   -5.6966      0      0      0
+  1950    825  1   0.00   -5.8400    3.9449   -4.9099      0      0      0
+  1951    826  1   0.00   -5.3956    2.6807   -6.3188      0     -1      0
+  1952    826  1   0.00   -5.7869    3.5225   -6.1419      0     -1      0
+  1953    827  1   0.00    4.7634   -1.6464    4.2257      0      0     -1
+  1954    827  1   0.00    5.4757   -1.3511    4.9602      0      0     -1
+  1955    828  1   0.00    2.1888    1.2206   -3.9262      0      0      0
+  1956    828  2   0.00    3.1046    1.1636   -4.1846      0      0      0
+  1957    829  1   0.00   -5.2612   -2.3789    5.7121      1      0     -1
+  1958    829  1   0.00   -5.4185   -2.5736   -6.4248      1      0      0
+  1959    830  1   0.00    6.0424    1.2182   -6.0434      0     -1      0
+  1960    830  1   0.00    5.0760    1.3831   -6.0404      0     -1      0
+  1961    831  1   0.00   -4.8885    5.1149    4.9398      0      0     -1
+  1962    831  1   0.00   -4.3267    4.6239    5.6465      0      0     -1
+  1963    832  1   0.00    1.3004    1.1941   -5.9615      0      0      0
+  1964    832  1   0.00    0.6221    0.6749   -5.6877      0      0      0
+  1965    833  1   0.00    0.4831    3.8096   -4.1974      0     -1      0
+  1966    833  1   0.00    0.8669    3.5417   -5.0858      0     -1      0
+  1967    834  1   0.00    6.3594   -0.6908    4.7017      0      0     -1
+  1968    834  1   0.00   -6.4898   -0.2236    5.4917      1      0     -1
+  1969    835  1   0.00   -3.7517   -5.7934    1.1715      0      0     -1
+  1970    835  1   0.00   -4.4542   -5.0430    1.1924      0      0     -1
+  1971    836  1   0.00   -0.4561    4.8924   -6.0272      0     -1      0
+  1972    836  1   0.00    0.0897    5.6367   -6.2836      0     -1      0
+  1973    837  1   0.00    2.8993    4.8898    0.3040      0     -1      0
+  1974    837  1   0.00    2.5446    5.7331    0.1711      0     -1      0
+  1975    838  2   0.00    3.7717    6.1573   -3.9618      0     -1      0
+  1976    838  1   0.00    3.0339   -6.3165   -4.2177      0      0      0
+  1977    839  1   0.00    0.0616    3.2531   -0.9742      0      0      0
+  1978    839  1   0.00    0.7576    2.8791   -1.5859      0      0      0
+  1979    840  1   0.00    4.3733   -4.4118    4.1747      0      0      0
+  1980    840  1   0.00    4.1357   -4.1562    3.2860      0      0      0
+  1981    841  1   0.00    4.3348    4.6977    3.8309      0      0     -1
+  1982    841  1   0.00    3.9448    5.6141    4.1414      0      0     -1
+  1983    842  1   0.00    5.7801    3.8113   -4.8143      0     -1      0
+  1984    842  1   0.00    5.7540    3.9842   -5.6929      0     -1      0
+  1985    843  1   0.00   -3.1709   -4.0186    3.6902      0      0     -1
+  1986    843  1   0.00   -2.4060   -4.2439    4.2204      0      0     -1
+  1987    844  1   0.00    5.8012   -0.0236   -4.0771      0      0      0
+  1988    844  1   0.00    5.0557    0.3898   -3.5413      0      0      0
+  1989    845  1   0.00    5.3178    2.3184   -2.5983      0      0      0
+  1990    845  1   0.00    5.6541    1.8884   -1.8198      0      0      0
+  1991    846  2   0.00   -3.8662   -5.6842   -4.4133      0      0      0
+  1992    846  1   0.00   -2.8992   -5.6395   -4.7128      0      0      0
+  1993    847  1   0.00    6.4400    4.0542    4.7849     -1      0     -1
+  1994    847  1   0.00   -5.8852    3.3878    4.9071      0      0     -1
+  1995    848  1   0.00    6.2871    2.2602   -0.9906     -1      0      0
+  1996    848  1   0.00    5.4238    2.5180   -1.1507     -1      0      0
+  1997    849  1   0.00    3.8662   -6.1831    5.7847      0      0     -1
+  1998    849  1   0.00    3.5595   -6.1752   -6.4596      0      0      0
+  1999    850  1   0.00   -4.4964   -3.0212   -4.3100      0      0      0
+  2000    850  1   0.00   -4.1820   -2.4073   -4.9979      0      0      0
+  2001    851  1   0.00   -5.4326    3.4775   -2.3311      1     -1      0
+  2002    851  1   0.00   -5.2101    4.4147   -2.3160      1     -1      0
+  2003    852  1   0.00   -4.7330    3.5154    4.8989      1      0      0
+  2004    852  1   0.00   -4.9552    2.6519    4.8034      1      0      0
+  2005    853  1   0.00    2.3157    1.4536    0.1884     -1     -1      0
+  2006    853  1   0.00    2.3217    1.8368    1.0303     -1     -1      0
+  2007    854  1   0.00    1.4893    6.5426    4.0190      0     -1     -1
+  2008    854  1   0.00    0.9530    6.4871    4.7107      0     -1     -1
+  2009    855  1   0.00   -0.6926    6.3868    1.3550      0     -1     -1
+  2010    855  1   0.00   -1.6351    6.3608    1.0950      0     -1     -1
+  2011    856  1   0.00   -4.9400    6.3772   -4.6933      1     -1      0
+  2012    856  1   0.00   -5.2215   -6.3084   -3.9106      1      0      0
+  2013    857  1   0.00   -2.3368    5.2460    3.6189      0      0     -1
+  2014    857  1   0.00   -2.9071    5.3859    2.9568      0      0     -1
+  2015    858  1   0.00    4.1344   -0.7791    2.8954      0      0     -1
+  2016    858  1   0.00    4.7547   -0.3995    2.2170      0      0     -1
+  2017    859  1   0.00   -1.7666    3.0062   -2.3655      0     -1      0
+  2018    859  1   0.00   -2.4861    2.4135   -1.8679      0     -1      0
+  2019    860  1   0.00   -6.3677   -1.9745   -3.6610      1      0      0
+  2020    860  1   0.00   -5.4778   -2.1604   -3.1458      1      0      0
+  2021    861  1   0.00    2.0668    4.2721    2.0735      0      0      0
+  2022    861  1   0.00    1.3915    4.3685    1.4207      0      0      0
+  2023    862  1   0.00   -4.1301    1.3363    6.3079      0      0     -1
+  2024    862  1   0.00   -4.0397    1.5818    5.3501      0      0     -1
+  2025    863  1   0.00   -1.3627    3.1002    4.2154      0      0     -1
+  2026    863  1   0.00   -1.3473    2.0430    4.3583      0      0     -1
+  2027    864  1   0.00   -0.8042    0.5295   -0.1137      0      0      0
+  2028    864  1   0.00   -1.2365    0.4928   -0.9812      0      0      0
+  2029    865  1   0.00    5.1120    0.9205   -2.2210     -1      0      0
+  2030    865  1   0.00    5.8662    0.9383   -2.9638     -1      0      0
+  2031    866  1   0.00    5.2571    1.3340   -0.5643      0     -1      0
+  2032    866  1   0.00    6.0363    1.7954   -0.1226      0     -1      0
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+  2034    867  1   0.00    6.4947    2.3843    2.1696      0     -1     -1
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+  2036    868  1   0.00    5.5440   -1.2423   -5.5053      0      0      0
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+  2046    873  1   0.00   -0.2947   -1.2312   -6.2138      0      0      0
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+  2048    874  1   0.00    4.3285   -0.6300   -5.4885      0     -1      0
+  2049    875  1   0.00   -0.2052    5.0682   -1.6366      0     -1      0
+  2050    875  1   0.00   -0.1737    6.0457   -1.3796      0     -1      0
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+  2088    894  1   0.00    2.5052   -5.2984   -2.0589      0      0      0
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+  2090    895  1   0.00    4.8924   -5.0551    3.3612      0      0      0
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+  2100    900  1   0.00    2.9766   -0.3733    2.5071      0     -1      0
+
+Bonds
+
+       1     1      788      789
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+      30     1      566      567
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+      35     1      589     1074
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+
+Masses
+
+  1  1.0
+  2  1.0
+  3  1.0
+  4  1.0
diff --git a/examples/USER/atc/molecule/quartic_bonds.data b/examples/USER/atc/molecule/quartic_bonds.data
new file mode 100644
index 0000000000..9e7b18e882
--- /dev/null
+++ b/examples/USER/atc/molecule/quartic_bonds.data
@@ -0,0 +1,4727 @@
+
+
+      2100    atoms
+      2600    bonds
+         0    angles
+         0    dihedrals
+         0    impropers
+
+         4    atom types
+         1    bond types
+
+      -6.54473000       6.54473000   xlo xhi
+      -6.54473000       6.54473000   ylo yhi
+      -6.54473000       6.54473000   zlo zhi
+
+Atoms
+
+     1      1  4   0.00    3.1312   -3.4487    0.0619     -1      0      0
+     2      1  1   0.00    3.3139   -3.9521   -0.7947     -1      0      0
+     3      1  1   0.00    3.3570   -4.1740   -1.8680     -1      0      0
+     4      2  4   0.00   -2.7485    5.5431   -0.2604      0     -1      0
+     5      2  1   0.00   -2.4261    6.2933   -0.8372      0     -1      0
+     6      2  1   0.00   -3.0811   -6.0948   -1.2326      0      0      0
+     7      3  4   0.00   -5.0191   -0.5740    1.0470      0     -1      0
+     8      3  1   0.00   -4.2591   -0.3321    1.8617      0     -1      0
+     9      3  1   0.00   -4.1726    0.4819    2.2905      0     -1      0
+    10      4  4   0.00   -4.7666    4.5771   -6.2657      1     -1      0
+    11      4  1   0.00   -5.1360    4.0351    6.1842      1     -1     -1
+    12      4  1   0.00   -5.3384    3.1851    5.8184      1     -1     -1
+    13      5  4   0.00   -2.8714    2.4206   -5.4022      0      0      0
+    14      5  1   0.00   -2.9338    2.0520   -4.4742      0      0      0
+    15      5  1   0.00   -3.7204    1.5226   -4.3161      0      0      0
+    16      6  4   0.00   -3.0784    5.7314    3.9601      0     -1     -1
+    17      6  1   0.00   -2.7220    5.6414    4.8921      0     -1     -1
+    18      6  1   0.00   -3.7972    5.4070    5.2267      0     -1     -1
+    19      7  4   0.00    5.6840    3.1507    3.8283      0     -1      0
+    20      7  1   0.00    6.2694    2.2929    4.0359      0     -1      0
+    21      7  1   0.00    6.1924    2.9157    4.7168      0     -1      0
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+    23      8  1   0.00   -0.2893   -2.4588   -5.2074      0      0      0
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+    26      9  1   0.00    3.9829   -5.8597    4.7497      0      0     -1
+    27      9  1   0.00    3.0975   -5.5659    4.5138      0      0     -1
+    28     10  3   0.00   -4.5603   -3.7139   -0.1425      0      0      0
+    29     10  1   0.00   -4.4729   -3.4416   -1.0567      0      0      0
+    30     10  1   0.00   -5.1844   -3.9735   -0.8077      0      0      0
+    31     11  4   0.00    4.4402    6.5237   -6.4887      0     -1      0
+    32     11  1   0.00    4.9053   -5.6879   -6.2953      0      0      0
+    33     11  1   0.00    4.9302   -5.1653   -5.3338      0      0      0
+    34     12  4   0.00   -6.1553    1.0129    3.6822      1      0     -1
+    35     12  1   0.00   -6.4328    0.3973    2.8748      1      0     -1
+    36     12  1   0.00   -5.7915   -0.1579    3.2249      1      0     -1
+    37     13  4   0.00   -1.0697   -2.4076   -1.1628      0      0      0
+    38     13  1   0.00   -0.5097   -1.7499   -1.5048      0      0      0
+    39     13  1   0.00   -1.2049   -2.2177   -2.1672      0      0      0
+    40     14  4   0.00    1.2759    1.4547   -3.8521      0      0      0
+    41     14  1   0.00    1.4954    1.1316   -4.9519      0      0      0
+    42     14  1   0.00    1.3297    2.0294   -5.1817      0      0      0
+    43     15  3   0.00    3.8289    5.9305    5.9918      0     -1     -1
+    44     15  1   0.00    2.8081    6.4280    6.1872      0     -1     -1
+    45     15  1   0.00    2.1335    6.4518   -6.4010      0     -1      0
+    46     16  4   0.00    3.8506    3.3111   -0.2789     -1      0     -1
+    47     16  1   0.00    3.6541    4.2573   -0.2765     -1      0     -1
+    48     16  1   0.00    3.1877    3.6034    0.4335     -1      0     -1
+    49     17  4   0.00   -5.2515    4.2008    5.1560      1     -1     -1
+    50     17  1   0.00   -6.0877    4.0012    5.7255      1     -1     -1
+    51     17  1   0.00   -5.9540    4.6562    6.4231      1     -1     -1
+    52     18  4   0.00    5.6784   -5.6300   -2.5912      0      0      0
+    53     18  1   0.00    6.4659   -5.3268   -3.1729      0      0      0
+    54     18  1   0.00    6.2870   -6.2756   -3.2453      0      0      0
+    55     19  4   0.00    5.0423   -0.5660   -3.7791      0      0      0
+    56     19  1   0.00    4.9364   -0.9796   -2.9507      0      0      0
+    57     19  1   0.00    5.1978   -1.6811   -2.2506      0      0      0
+    58     20  3   0.00    5.9925   -6.4013    1.2716      0      0     -1
+    59     20  1   0.00    6.0471    6.4937    2.1845      0     -1     -1
+    60     20  1   0.00   -6.2419    6.1968    2.7945      1     -1     -1
+    61     21  4   0.00    0.6776   -4.6427    4.1116      0      0     -1
+    62     21  1   0.00    1.2760   -3.8503    3.8413      0      0     -1
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+
+Masses
+
+  1  1.0
+  2  1.0
+  3  1.0
+  4  1.0
diff --git a/examples/USER/atc/molecule/water.init b/examples/USER/atc/molecule/water.init
new file mode 100644
index 0000000000..759e57ba12
--- /dev/null
+++ b/examples/USER/atc/molecule/water.init
@@ -0,0 +1,8170 @@
+LAMMPS data file from restart file: timestep = 1000000, procs = 16
+
+2709 atoms
+1806 bonds
+903 angles
+
+2 atom types
+1 bond types
+1 angle types
+
+-1.5000000000000000e+01 1.5000000000000000e+01 xlo xhi
+-1.5000000000000000e+01 1.5000000000000000e+01 ylo yhi
+-1.5000000000000000e+01 1.5000000000000000e+01 zlo zhi
+
+Masses
+
+1 1.008
+2 15.9994
+
+Pair Coeffs
+
+1 0 0
+2 0.006596 3.1507
+
+Bond Coeffs
+
+1 19.5139 0.9572
+
+Angle Coeffs
+
+1 2.38503 104.52
+
+Atoms
+
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diff --git a/examples/USER/atc/molecule/waterequil.init b/examples/USER/atc/molecule/waterequil.init
new file mode 100644
index 0000000000..fc55053835
--- /dev/null
+++ b/examples/USER/atc/molecule/waterequil.init
@@ -0,0 +1,28465 @@
+LAMMPS data file from restart file: timestep = 1000000, procs = 10
+
+9474 atoms
+6316 bonds
+3158 angles
+
+2 atom types
+1 bond types
+1 angle types
+
+-2.5000000000000000e+01 2.5000000000000000e+01 xlo xhi
+-2.5000000000000000e+01 2.5000000000000000e+01 ylo yhi
+-2.1895949999999999e+01 2.1895949999999999e+01 zlo zhi
+
+Masses
+
+1 1.008
+2 15.9994
+
+Pair Coeffs
+
+1 0 0
+2 0.006596 3.1507
+
+Bond Coeffs
+
+1 19.5139 0.9572
+
+Angle Coeffs
+
+1 2.38503 104.52
+
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diff --git a/examples/USER/atc/thermal/all_atoms.init b/examples/USER/atc/thermal/all_atoms.init
new file mode 100644
index 0000000000..6009000ac4
--- /dev/null
+++ b/examples/USER/atc/thermal/all_atoms.init
@@ -0,0 +1,4055 @@
+LAMMPS data file from restart file: timestep = 0, procs = 1
+
+2016 atoms
+
+1 atom types
+
+-37.835 37.835 xlo xhi
+-16.215 16.215 ylo yhi
+-16.215 16.215 zlo zhi
+
+Masses
+
+1 39.95
+
+Pair Coeffs
+
+1 0.238 3.405
+
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diff --git a/examples/USER/atc/thermal/temp.init b/examples/USER/atc/thermal/temp.init
new file mode 100644
index 0000000000..afa13e286a
--- /dev/null
+++ b/examples/USER/atc/thermal/temp.init
@@ -0,0 +1,2903 @@
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diff --git a/examples/USER/atc/two_temperature/cutout.init b/examples/USER/atc/two_temperature/cutout.init
new file mode 100644
index 0000000000..4d9c89675a
--- /dev/null
+++ b/examples/USER/atc/two_temperature/cutout.init
@@ -0,0 +1,2039 @@
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diff --git a/examples/USER/atc/two_temperature/temp.init b/examples/USER/atc/two_temperature/temp.init
new file mode 100644
index 0000000000..45eec7c967
--- /dev/null
+++ b/examples/USER/atc/two_temperature/temp.init
@@ -0,0 +1,6935 @@
+LAMMPS data file from restart file: timestep = 1000, procs = 1
+
+3456 atoms
+
+1 atom types
+
+-64.86 64.86 xlo xhi
+-16.215 16.215 ylo yhi
+-16.215 16.215 zlo zhi
+
+Masses
+
+1 39.95
+
+Pair Coeffs
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diff --git a/examples/USER/atc/two_temperature/uniform_exchange.init b/examples/USER/atc/two_temperature/uniform_exchange.init
new file mode 100644
index 0000000000..12157e90ec
--- /dev/null
+++ b/examples/USER/atc/two_temperature/uniform_exchange.init
@@ -0,0 +1,6935 @@
+LAMMPS data file from restart file: timestep = 0, procs = 1
+
+3456 atoms
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+1 atom types
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+-16.215 16.215 ylo yhi
+-16.215 16.215 zlo zhi
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diff --git a/examples/USER/atc/two_temperature/uniform_heating.init b/examples/USER/atc/two_temperature/uniform_heating.init
new file mode 100644
index 0000000000..2e58c10437
--- /dev/null
+++ b/examples/USER/atc/two_temperature/uniform_heating.init
@@ -0,0 +1,4631 @@
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+2220 -0.00158890188249 -7.86224385825e-05 0.00043949189717
+2221 0.000432534658196 -0.00146859952742 0.0015235926553
+2222 0.0012009864944 0.000170830147502 0.000219436909569
+2223 -0.00139879952906 -0.00102638034618 0.000832727750726
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+2225 0.000794744672149 0.00114146417365 0.00141823487657
+2226 5.51980980719e-06 -0.00155122433981 -0.00116437255716
+2227 0.000570088253743 0.000415919633902 -0.000551081716
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+2229 0.000372629378074 0.00113243255981 0.00151291548945
+2230 0.00114108121428 -0.000392492232675 0.000208759743725
+2231 -0.00145870480918 -0.00158970272636 0.000822050584883
+2232 0.00109343201071 -0.0006509764326 0.00052349534421
+2233               0               0               0
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+2249 -0.00108052282761 0.000491090981354 0.000276322419175
+2250 0.000303199882832 -0.00128664997175 -0.00038099516433
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+2255 -0.000169617841544 0.000924278548748 -0.00031986187251
+2256 0.00139111208373 -0.000386402064533 0.00130687273704
+2257 -0.00114042810773 -7.22313988224e-05 0.000265645253332
+2258 0.00024329460271 0.00131438211548 -0.000391672330174
+2259 0.00096594356293 -0.00108134381151 0.00105327042837
+2260 0.000195645399137 0.00105589791555 -7.69367296892e-05
+2261 -4.86670326035e-06 0.00108650070832 -0.00152557691318
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+2267 0.000906038282808 0.00151968827571 0.00104259326253
+2268 0.00115419958878 -0.00141678478453 -0.000987856621859
+2269 -0.00137734060269 -0.00110261411882 0.00113527036183
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+2280 0.00067217901458 0.00117521568885 -0.000903853174819
+2281 -0.000301684478337 -0.000507204391856 -0.000666628970525
+2282 -0.000475638466443 -0.000288354598537 0.000561956225369
+2283 -0.000526340896743 -0.0012327489316 0.000528408904306
+2284 0.00103438902853 0.000620924922517 -0.00100921095355
+2285 -0.000723799772413 -0.000516236005697 -0.000571948357641
+2286 0.000659922938031 0.000870377508601 -0.00122926594115
+2287 0.00060922050773 -7.40168244618e-05 -0.00126281326221
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+2296 0.000552368454336 4.85709285002e-05 -0.000925207506505
+2297               0               0               0
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+2304               0               0               0

From 090fc7bc8a9f969c79dd3bd9a3d6595b5961247d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 22:14:24 -0500
Subject: [PATCH 161/273] remove unused sphinx-images extension from virtualenv
 setup

---
 doc/Makefile | 1 -
 1 file changed, 1 deletion(-)

diff --git a/doc/Makefile b/doc/Makefile
index cf649eb37b..ca16176d60 100644
--- a/doc/Makefile
+++ b/doc/Makefile
@@ -176,7 +176,6 @@ $(VENV):
 		$(VIRTUALENV) -p $(PYTHON) $(VENV); \
 		. $(VENV)/bin/activate; \
 		pip install Sphinx; \
-		pip install sphinxcontrib-images; \
 		deactivate;\
 	)
 

From 385cf2e1fcc4540f78d59956acbc239eedab16b5 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 22:40:46 -0500
Subject: [PATCH 162/273] avoid array overflows and silence compiler warnings

---
 src/USER-REAXC/reaxc_io_tools.cpp | 2 +-
 src/USER-REAXC/reaxc_tool_box.cpp | 2 +-
 src/USER-REAXC/reaxc_traj.cpp     | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/USER-REAXC/reaxc_io_tools.cpp b/src/USER-REAXC/reaxc_io_tools.cpp
index b63fee2309..c3cb9825ff 100644
--- a/src/USER-REAXC/reaxc_io_tools.cpp
+++ b/src/USER-REAXC/reaxc_io_tools.cpp
@@ -38,7 +38,7 @@ int Init_Output_Files( reax_system *system, control_params *control,
                        output_controls *out_control, mpi_datatypes *mpi_data,
                        char *msg )
 {
-  char temp[MAX_STR];
+  char temp[MAX_STR+8];
   int ret;
 
   if( out_control->write_steps > 0 ){
diff --git a/src/USER-REAXC/reaxc_tool_box.cpp b/src/USER-REAXC/reaxc_tool_box.cpp
index 4fc6796efe..1678d0a53c 100644
--- a/src/USER-REAXC/reaxc_tool_box.cpp
+++ b/src/USER-REAXC/reaxc_tool_box.cpp
@@ -43,7 +43,7 @@ int Tokenize( char* s, char*** tok )
   char *word;
   int count=0;
 
-  strncpy( test, s, MAX_LINE );
+  strncpy( test, s, MAX_LINE-1);
 
   for( word = strtok(test, sep); word; word = strtok(NULL, sep) ) {
     strncpy( (*tok)[count], word, MAX_LINE );
diff --git a/src/USER-REAXC/reaxc_traj.cpp b/src/USER-REAXC/reaxc_traj.cpp
index c1f3e8ae8f..8a8de2707c 100644
--- a/src/USER-REAXC/reaxc_traj.cpp
+++ b/src/USER-REAXC/reaxc_traj.cpp
@@ -315,7 +315,7 @@ int Init_Traj( reax_system *system, control_params *control,
                output_controls *out_control, mpi_datatypes *mpi_data,
                char *msg )
 {
-  char fname[MAX_STR];
+  char fname[MAX_STR+8];
   int  atom_line_len[ NR_OPT_ATOM ] = { 0, 0, 0, 0,
                                         ATOM_BASIC_LEN, ATOM_wV_LEN,
                                         ATOM_wF_LEN, ATOM_FULL_LEN };

From a91d89b5161c23ea73d7977cdc434c149f072d4e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 20 Nov 2018 22:40:46 -0500
Subject: [PATCH 163/273] avoid array overflows and silence compiler warnings
 from unused parameters

---
 examples/USER/awpmd/{H => }/README          |  0
 examples/USER/awpmd/{H => }/data.h_atom     |  0
 examples/USER/awpmd/{H => }/data.h_molecule |  0
 examples/USER/awpmd/{H => }/in.h_atom       |  0
 examples/USER/awpmd/{H => }/in.h_molecule   |  0
 lib/message/cslib/src/msg.cpp               | 12 ++++++------
 src/USER-OMP/pair_reaxc_omp.cpp             |  2 +-
 src/USER-OMP/reaxc_bond_orders_omp.cpp      | 11 ++++++-----
 src/USER-OMP/reaxc_bonds_omp.cpp            |  4 ++--
 src/USER-OMP/reaxc_forces_omp.cpp           | 10 +++++-----
 src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp   |  2 +-
 src/USER-OMP/reaxc_init_md_omp.cpp          |  4 ++--
 src/USER-OMP/reaxc_multi_body_omp.cpp       |  4 ++--
 src/USER-OMP/reaxc_nonbonded_omp.cpp        |  6 +++---
 src/USER-OMP/reaxc_valence_angles_omp.cpp   |  2 +-
 src/USER-REAXC/reaxc_io_tools.cpp           |  2 +-
 src/USER-REAXC/reaxc_tool_box.cpp           |  2 +-
 src/USER-REAXC/reaxc_traj.cpp               |  2 +-
 18 files changed, 32 insertions(+), 31 deletions(-)
 rename examples/USER/awpmd/{H => }/README (100%)
 rename examples/USER/awpmd/{H => }/data.h_atom (100%)
 rename examples/USER/awpmd/{H => }/data.h_molecule (100%)
 rename examples/USER/awpmd/{H => }/in.h_atom (100%)
 rename examples/USER/awpmd/{H => }/in.h_molecule (100%)

diff --git a/examples/USER/awpmd/H/README b/examples/USER/awpmd/README
similarity index 100%
rename from examples/USER/awpmd/H/README
rename to examples/USER/awpmd/README
diff --git a/examples/USER/awpmd/H/data.h_atom b/examples/USER/awpmd/data.h_atom
similarity index 100%
rename from examples/USER/awpmd/H/data.h_atom
rename to examples/USER/awpmd/data.h_atom
diff --git a/examples/USER/awpmd/H/data.h_molecule b/examples/USER/awpmd/data.h_molecule
similarity index 100%
rename from examples/USER/awpmd/H/data.h_molecule
rename to examples/USER/awpmd/data.h_molecule
diff --git a/examples/USER/awpmd/H/in.h_atom b/examples/USER/awpmd/in.h_atom
similarity index 100%
rename from examples/USER/awpmd/H/in.h_atom
rename to examples/USER/awpmd/in.h_atom
diff --git a/examples/USER/awpmd/H/in.h_molecule b/examples/USER/awpmd/in.h_molecule
similarity index 100%
rename from examples/USER/awpmd/H/in.h_molecule
rename to examples/USER/awpmd/in.h_molecule
diff --git a/lib/message/cslib/src/msg.cpp b/lib/message/cslib/src/msg.cpp
index c67e4a5c8c..da22c81850 100644
--- a/lib/message/cslib/src/msg.cpp
+++ b/lib/message/cslib/src/msg.cpp
@@ -13,9 +13,9 @@
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>
-#include <stdio.h>
-#include <string.h>
-#include <stdlib.h>
+#include <cstdio>
+#include <cstring>
+#include <cstdlib>
 
 #include "msg.h"
 
@@ -23,7 +23,7 @@ using namespace CSLIB_NS;
 
 /* ---------------------------------------------------------------------- */
 
-Msg::Msg(int csflag, const void *ptr, MPI_Comm cworld)
+Msg::Msg(int csflag, const void * /* ptr */, MPI_Comm cworld)
 {
   world = cworld;
   MPI_Comm_rank(world,&me);
@@ -34,7 +34,7 @@ Msg::Msg(int csflag, const void *ptr, MPI_Comm cworld)
 
 /* ---------------------------------------------------------------------- */
 
-Msg::Msg(int csflag, const void *ptr)
+Msg::Msg(int csflag, const void * /* ptr */)
 {
   world = 0;
   me = 0;
@@ -57,7 +57,7 @@ void Msg::init(int csflag)
 /* ---------------------------------------------------------------------- */
 
 void Msg::allocate(int nheader, int &maxheader, int *&header,
-		   int nbuf, int &maxbuf, char *&buf)
+                   int nbuf, int &maxbuf, char *&buf)
 {
   if (nheader > maxheader) {
     sfree(header);
diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp
index d4448ad868..7a42ef9054 100644
--- a/src/USER-OMP/pair_reaxc_omp.cpp
+++ b/src/USER-OMP/pair_reaxc_omp.cpp
@@ -582,7 +582,7 @@ int PairReaxCOMP::write_reax_lists()
 
 /* ---------------------------------------------------------------------- */
 
-void PairReaxCOMP::read_reax_forces(int vflag)
+void PairReaxCOMP::read_reax_forces(int /* vflag */)
 {
 #if defined(_OPENMP)
 #pragma omp parallel for schedule(static) default(shared)
diff --git a/src/USER-OMP/reaxc_bond_orders_omp.cpp b/src/USER-OMP/reaxc_bond_orders_omp.cpp
index 8b78a3aa55..12186c2645 100644
--- a/src/USER-OMP/reaxc_bond_orders_omp.cpp
+++ b/src/USER-OMP/reaxc_bond_orders_omp.cpp
@@ -220,7 +220,8 @@ void Add_dBond_to_ForcesOMP( reax_system *system, int i, int pj,
 
 /* ---------------------------------------------------------------------- */
 
-void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj, simulation_data *data,
+void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj,
+                                 simulation_data * /* data */,
                                  storage *workspace, reax_list **lists ) {
   reax_list *bonds = (*lists) + BONDS;
   bond_data *nbr_j, *nbr_k;
@@ -343,9 +344,9 @@ void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj, simulation_
 
 /* ---------------------------------------------------------------------- */
 
-int BOp_OMP( storage *workspace, reax_list *bonds, double bo_cut,
+int BOp_OMP( storage * /* workspace */, reax_list *bonds, double bo_cut,
              int i, int btop_i, far_neighbor_data *nbr_pj,
-             single_body_parameters *sbp_i, single_body_parameters *sbp_j,
+             single_body_parameters * /* sbp_i */, single_body_parameters * /* sbp_j */,
              two_body_parameters *twbp,
              int btop_j, double C12, double C34, double C56, double BO, double BO_s, double BO_pi, double BO_pi2) {
   int j;
@@ -419,8 +420,8 @@ int BOp_OMP( storage *workspace, reax_list *bonds, double bo_cut,
 
 /* ---------------------------------------------------------------------- */
 
-void BOOMP( reax_system *system, control_params *control, simulation_data *data,
-            storage *workspace, reax_list **lists, output_controls *out_control )
+void BOOMP( reax_system *system, control_params * /* control */, simulation_data * /* data */,
+            storage *workspace, reax_list **lists, output_controls * /* out_control */)
 {
 #ifdef OMP_TIMING
   double endTimeBase, startTimeBase;
diff --git a/src/USER-OMP/reaxc_bonds_omp.cpp b/src/USER-OMP/reaxc_bonds_omp.cpp
index 0ccb4d8f99..c7f7e8f853 100644
--- a/src/USER-OMP/reaxc_bonds_omp.cpp
+++ b/src/USER-OMP/reaxc_bonds_omp.cpp
@@ -42,9 +42,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-void BondsOMP( reax_system *system, control_params *control,
+void BondsOMP( reax_system *system, control_params * /* control */,
             simulation_data *data, storage *workspace, reax_list **lists,
-            output_controls *out_control )
+            output_controls * /* out_control */)
 {
 #ifdef OMP_TIMING
   double endTimeBase, startTimeBase;
diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp
index 01e58c4fd3..9cd0130516 100644
--- a/src/USER-OMP/reaxc_forces_omp.cpp
+++ b/src/USER-OMP/reaxc_forces_omp.cpp
@@ -79,7 +79,7 @@ void Init_Force_FunctionsOMP( control_params *control )
 void Compute_Bonded_ForcesOMP( reax_system *system, control_params *control,
                             simulation_data *data, storage *workspace,
                             reax_list **lists, output_controls *out_control,
-                            MPI_Comm comm )
+                            MPI_Comm /* comm */)
 {
   int i;
 
@@ -105,7 +105,7 @@ void Compute_Bonded_ForcesOMP( reax_system *system, control_params *control,
 void Compute_NonBonded_ForcesOMP( reax_system *system, control_params *control,
                                simulation_data *data, storage *workspace,
                                reax_list **lists, output_controls *out_control,
-                               MPI_Comm comm )
+                               MPI_Comm /* comm */)
 {
   /* van der Waals and Coulomb interactions */
 #ifdef OMP_TIMING
@@ -133,7 +133,7 @@ void Compute_NonBonded_ForcesOMP( reax_system *system, control_params *control,
    Saves enormous time & space! */
 void Compute_Total_ForceOMP( reax_system *system, control_params *control,
                           simulation_data *data, storage *workspace,
-                          reax_list **lists, mpi_datatypes *mpi_data )
+                          reax_list **lists, mpi_datatypes * /* mpi_data */)
 {
 #ifdef OMP_TIMING
   double startTimeBase,endTimeBase;
@@ -262,7 +262,7 @@ void Compute_Total_ForceOMP( reax_system *system, control_params *control,
 
 /* ---------------------------------------------------------------------- */
 
-void Validate_ListsOMP( reax_system *system, storage *workspace, reax_list **lists,
+void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list **lists,
                      int step, int n, int N, int numH, MPI_Comm comm )
 {
   int i, comp, Hindex;
@@ -329,7 +329,7 @@ void Validate_ListsOMP( reax_system *system, storage *workspace, reax_list **lis
 
 void Init_Forces_noQEq_OMP( reax_system *system, control_params *control,
                             simulation_data *data, storage *workspace,
-                            reax_list **lists, output_controls *out_control,
+                            reax_list **lists, output_controls * /* out_control */,
                             MPI_Comm comm ) {
 #ifdef OMP_TIMING
   double startTimeBase, endTimeBase;
diff --git a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
index 4c0a4c269e..85380efd89 100644
--- a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
+++ b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
@@ -45,7 +45,7 @@ using namespace LAMMPS_NS;
 
 void Hydrogen_BondsOMP( reax_system *system, control_params *control,
                      simulation_data *data, storage *workspace,
-                     reax_list **lists, output_controls *out_control )
+                     reax_list **lists, output_controls * /* out_control */)
 {
 #ifdef OMP_TIMING
   double endTimeBase, startTimeBase;
diff --git a/src/USER-OMP/reaxc_init_md_omp.cpp b/src/USER-OMP/reaxc_init_md_omp.cpp
index 68d39d4f80..f4368e59c9 100644
--- a/src/USER-OMP/reaxc_init_md_omp.cpp
+++ b/src/USER-OMP/reaxc_init_md_omp.cpp
@@ -48,8 +48,8 @@ extern int Init_Workspace(reax_system*, control_params*, storage*, MPI_Comm, cha
 /* ---------------------------------------------------------------------- */
 
 int Init_ListsOMP( reax_system *system, control_params *control,
-                 simulation_data *data, storage *workspace, reax_list **lists,
-                 mpi_datatypes *mpi_data, char *msg )
+                 simulation_data * /* data */, storage * /* workspace */,
+                 reax_list **lists, mpi_datatypes *mpi_data, char * /* msg */)
 {
   int i, total_hbonds, total_bonds, bond_cap, num_3body, cap_3body, Htop;
   int *hb_top, *bond_top;
diff --git a/src/USER-OMP/reaxc_multi_body_omp.cpp b/src/USER-OMP/reaxc_multi_body_omp.cpp
index fc4982ca9f..635e22b8f9 100644
--- a/src/USER-OMP/reaxc_multi_body_omp.cpp
+++ b/src/USER-OMP/reaxc_multi_body_omp.cpp
@@ -42,9 +42,9 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-void Atom_EnergyOMP( reax_system *system, control_params *control,
+void Atom_EnergyOMP( reax_system *system, control_params * /* control */,
                   simulation_data *data, storage *workspace, reax_list **lists,
-                  output_controls *out_control )
+                  output_controls * /* out_control */)
 {
 #ifdef OMP_TIMING
   double endTimeBase, startTimeBase;
diff --git a/src/USER-OMP/reaxc_nonbonded_omp.cpp b/src/USER-OMP/reaxc_nonbonded_omp.cpp
index 552783e41c..9ad238f79c 100644
--- a/src/USER-OMP/reaxc_nonbonded_omp.cpp
+++ b/src/USER-OMP/reaxc_nonbonded_omp.cpp
@@ -47,8 +47,8 @@ using namespace LAMMPS_NS;
 
 void vdW_Coulomb_Energy_OMP( reax_system *system, control_params *control,
                              simulation_data *data, storage *workspace,
-                             reax_list **lists, output_controls *out_control ) {
-
+                             reax_list **lists, output_controls * /* out_control */ )
+{
   int natoms = system->n;
   reax_list *far_nbrs = (*lists) + FAR_NBRS;
   double p_vdW1 = system->reax_param.gp.l[28];
@@ -254,7 +254,7 @@ void vdW_Coulomb_Energy_OMP( reax_system *system, control_params *control,
 void Tabulated_vdW_Coulomb_Energy_OMP(reax_system *system,control_params *control,
                                       simulation_data *data, storage *workspace,
                                       reax_list **lists,
-                                      output_controls *out_control ) {
+                                      output_controls * /* out_control */) {
 
   double SMALL = 0.0001;
   int  natoms = system->n;
diff --git a/src/USER-OMP/reaxc_valence_angles_omp.cpp b/src/USER-OMP/reaxc_valence_angles_omp.cpp
index 6765c091b9..fbad0f8077 100644
--- a/src/USER-OMP/reaxc_valence_angles_omp.cpp
+++ b/src/USER-OMP/reaxc_valence_angles_omp.cpp
@@ -100,7 +100,7 @@ void Calculate_dCos_ThetaOMP( rvec dvec_ji, double d_ji, rvec dvec_jk, double d_
    played by j which sits in the middle of the other two. */
 void Valence_AnglesOMP( reax_system *system, control_params *control,
                         simulation_data *data, storage *workspace,
-                        reax_list **lists, output_controls *out_control )
+                        reax_list **lists, output_controls * /* out_control */)
 {
 
 #ifdef OMP_TIMING
diff --git a/src/USER-REAXC/reaxc_io_tools.cpp b/src/USER-REAXC/reaxc_io_tools.cpp
index b63fee2309..c3cb9825ff 100644
--- a/src/USER-REAXC/reaxc_io_tools.cpp
+++ b/src/USER-REAXC/reaxc_io_tools.cpp
@@ -38,7 +38,7 @@ int Init_Output_Files( reax_system *system, control_params *control,
                        output_controls *out_control, mpi_datatypes *mpi_data,
                        char *msg )
 {
-  char temp[MAX_STR];
+  char temp[MAX_STR+8];
   int ret;
 
   if( out_control->write_steps > 0 ){
diff --git a/src/USER-REAXC/reaxc_tool_box.cpp b/src/USER-REAXC/reaxc_tool_box.cpp
index 4fc6796efe..1678d0a53c 100644
--- a/src/USER-REAXC/reaxc_tool_box.cpp
+++ b/src/USER-REAXC/reaxc_tool_box.cpp
@@ -43,7 +43,7 @@ int Tokenize( char* s, char*** tok )
   char *word;
   int count=0;
 
-  strncpy( test, s, MAX_LINE );
+  strncpy( test, s, MAX_LINE-1);
 
   for( word = strtok(test, sep); word; word = strtok(NULL, sep) ) {
     strncpy( (*tok)[count], word, MAX_LINE );
diff --git a/src/USER-REAXC/reaxc_traj.cpp b/src/USER-REAXC/reaxc_traj.cpp
index c1f3e8ae8f..8a8de2707c 100644
--- a/src/USER-REAXC/reaxc_traj.cpp
+++ b/src/USER-REAXC/reaxc_traj.cpp
@@ -315,7 +315,7 @@ int Init_Traj( reax_system *system, control_params *control,
                output_controls *out_control, mpi_datatypes *mpi_data,
                char *msg )
 {
-  char fname[MAX_STR];
+  char fname[MAX_STR+8];
   int  atom_line_len[ NR_OPT_ATOM ] = { 0, 0, 0, 0,
                                         ATOM_BASIC_LEN, ATOM_wV_LEN,
                                         ATOM_wF_LEN, ATOM_FULL_LEN };

From b1b6980d32d0db106b08fd371268720df61d9382 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 21 Nov 2018 15:46:41 -0500
Subject: [PATCH 164/273] write_coeff needs to do special processing for class2
 angles, dihedrals, and impropers

---
 src/write_coeff.cpp | 68 +++++++++++++++++++++++++++++++++++++++++++--
 1 file changed, 66 insertions(+), 2 deletions(-)

diff --git a/src/write_coeff.cpp b/src/write_coeff.cpp
index 99172c09f0..72b4835e55 100644
--- a/src/write_coeff.cpp
+++ b/src/write_coeff.cpp
@@ -27,6 +27,8 @@
 
 using namespace LAMMPS_NS;
 
+enum {REGULAR_MODE, CLASS2_MODE};
+
 /* ----------------------------------------------------------------------
    called as write_coeff command in input script
 ------------------------------------------------------------------------- */
@@ -50,6 +52,7 @@ void WriteCoeff::command(int narg, char **arg)
   if (comm->me == 0) {
     char str[256], coeff[256];
     FILE *one = fopen(file,"wb+");
+
     if (one == NULL) {
       snprintf(str,256,"Cannot open coeff file %s",file);
       error->one(FLERR,str);
@@ -91,17 +94,78 @@ void WriteCoeff::command(int narg, char **arg)
     }
     fprintf(two,"# LAMMPS coeff file via write_coeff, version %s\n",
             universe->version);
+
     while(1) {
+      int coeff_mode = REGULAR_MODE;
       if (fgets(str,256,one) == NULL) break;
+
+      // some coeffs need special treatment
+      if (strstr(str,"class2") != NULL) {
+        if (strstr(str,"angle_style") != NULL)
+          coeff_mode = CLASS2_MODE;
+        else if (strstr(str,"dihedral_style") != NULL)
+          coeff_mode = CLASS2_MODE;
+        else if (strstr(str,"improper_style") != NULL)
+          coeff_mode = CLASS2_MODE;
+      }
+
+      const char *section = (const char *)"";
       fputs(str,two);      // style
       fgets(str,256,one);  // coeff
       n = strlen(str);
       strcpy(coeff,str);
       coeff[n-1] = '\0';
       fgets(str,256,one);
+
       while (strcmp(str,"end\n") != 0) {
-        fprintf(two,"%s %s",coeff,str);
-        fgets(str,256,one);
+
+        if (coeff_mode == REGULAR_MODE) {
+
+          fprintf(two,"%s %s",coeff,str);
+          fgets(str,256,one);
+
+        } else if (coeff_mode == CLASS2_MODE) {
+
+          // class2 angles, dihedrals, and impropers can have
+          // multiple sections and thus need special treatment
+
+          if (strcmp(str,"\n") == 0) {
+
+            // all but the the last section end with an empty line.
+            // skip it and read and parse the next section title
+
+            fgets(str,256,one);
+
+            if (strcmp(str,"BondBond Coeffs\n") == 0)
+              section = (const char *)"bb";
+            else if (strcmp(str,"BondAngle Coeffs\n") ==0)
+              section = (const char *)"ba";
+            else if (strcmp(str,"MiddleBondTorsion Coeffs\n") == 0)
+              section = (const char *)"mbt";
+            else if (strcmp(str,"EndBondTorsion Coeffs\n") == 0)
+              section = (const char *)"ebt";
+            else if (strcmp(str,"AngleTorsion Coeffs\n") == 0)
+              section = (const char *)"at";
+            else if (strcmp(str,"AngleAngleTorsion Coeffs\n") == 0)
+              section = (const char *)"aat";
+            else if (strcmp(str,"BondBond13 Coeffs\n") == 0)
+              section = (const char *)"bb13";
+            else if (strcmp(str,"AngleAngle Coeffs\n") == 0)
+              section = (const char *)"aa";
+
+            fgets(str,256,one);   // gobble up one more empty line
+            fgets(str,256,one);
+          }
+
+          // parse type number and skip over it
+          int type = atoi(str);
+          char *p = str;
+          while ((*p != '\0') && (*p == ' ')) ++p;
+          while ((*p != '\0') && isdigit(*p)) ++p;
+
+          fprintf(two,"%s %d %s %s",coeff,type,section,p);
+          fgets(str,256,one);
+        }
       }
       fputc('\n',two);
     }

From 900ecc170a682ceb1b07b42247840b8b8a3a4b0a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 21 Nov 2018 16:08:24 -0500
Subject: [PATCH 165/273] document that rcb balancing depends on comm_style
 tiled which in turn is not compatible with triclinic cells

---
 doc/src/balance.txt     | 5 ++++-
 doc/src/comm_style.txt  | 5 ++++-
 doc/src/fix_balance.txt | 6 +++++-
 3 files changed, 13 insertions(+), 3 deletions(-)

diff --git a/doc/src/balance.txt b/doc/src/balance.txt
index 3afc469a39..2ca44203f6 100644
--- a/doc/src/balance.txt
+++ b/doc/src/balance.txt
@@ -510,10 +510,13 @@ each processor, instead of 4, and "SQUARES" replaced by "CUBES".
 For 2d simulations, the {z} style cannot be used.  Nor can a "z"
 appear in {dimstr} for the {shift} style.
 
+Balancing through recursive bisectioning ({rcb} style) requires
+"comm_style tiled"_comm_style.html
+
 [Related commands:]
 
 "group"_group.html, "processors"_processors.html,
-"fix balance"_fix_balance.html
+"fix balance"_fix_balance.html, "comm_style"_comm_style.html
 
 [Default:] none
 :link(pizza,http://pizza.sandia.gov)
diff --git a/doc/src/comm_style.txt b/doc/src/comm_style.txt
index 39eb1d4ef5..cd9631dd88 100644
--- a/doc/src/comm_style.txt
+++ b/doc/src/comm_style.txt
@@ -51,7 +51,10 @@ decomposition will be the same, as described by
 commands.  The decomposition can be changed via the
 "balance"_balance.html or "fix balance"_fix_balance.html commands.
 
-[Restrictions:] none
+[Restrictions:]
+
+Communication style {tiled} cannot be used with {triclinic} simulation
+cells.
 
 [Related commands:]
 
diff --git a/doc/src/fix_balance.txt b/doc/src/fix_balance.txt
index 516df3ff64..0f77fd4ecd 100644
--- a/doc/src/fix_balance.txt
+++ b/doc/src/fix_balance.txt
@@ -371,9 +371,13 @@ minimization"_minimize.html.
 For 2d simulations, the {z} style cannot be used.  Nor can a "z"
 appear in {dimstr} for the {shift} style.
 
+Balancing through recursive bisectioning ({rcb} style) requires
+"comm_style tiled"_comm_style.html
+
 [Related commands:]
 
-"group"_group.html, "processors"_processors.html, "balance"_balance.html
+"group"_group.html, "processors"_processors.html, "balance"_balance.html,
+"comm_style"_comm_style.html
 
 [Default:] none
 :link(pizza,http://pizza.sandia.gov)

From 5efd8c06b14fe2a90d0258421cf617a05f711727 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Nov 2018 06:25:39 -0500
Subject: [PATCH 166/273] correct formatting for examples when discussing the
 non-incremental nature of special_bonds

---
 doc/src/special_bonds.txt | 16 +++++++++++-----
 1 file changed, 11 insertions(+), 5 deletions(-)

diff --git a/doc/src/special_bonds.txt b/doc/src/special_bonds.txt
index f932f51c47..f8316a9bfb 100644
--- a/doc/src/special_bonds.txt
+++ b/doc/src/special_bonds.txt
@@ -196,19 +196,25 @@ the options you need each time.  This command cannot be used a 2nd
 time incrementally.  E.g. these two commands:
 
 special_bonds lj 0.0 1.0 1.0
-special_bonds coul 0.0 0.0 1.0
+special_bonds coul 0.0 0.0 1.0 :pre
 
 are not the same as
 
-special_bonds lj 0.0 1.0 1.0 coul 0.0 0.0 1.0
+special_bonds lj 0.0 1.0 1.0 coul 0.0 0.0 1.0 :pre
 
 In the first case you end up with (after the 2nd command):
 
 LJ: 0.0 0.0 0.0
-Coul: coul 0.0 0.0 1.0
+Coul: 0.0 0.0 1.0 :pre
 
-because the LJ settings are reset to their default values
-each time the command is issued.
+while only in the second case, you get the desired settings of:
+
+LJ: 0.0 1.0 1.0
+Coul: 0.0 0.0 1.0 :pre
+
+This happens because the LJ (and Coul) settings are reset to
+their default values before modifying them, each time the
+{special_bonds} command is issued.
 
 [Restrictions:] none
 

From d1255ab572e13cc3367229b6d47338e0e1058988 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Nov 2018 09:22:09 -0500
Subject: [PATCH 167/273] we are LAMMPS, not LIGGGHTS

---
 doc/utils/sphinx-config/conf.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/utils/sphinx-config/conf.py b/doc/utils/sphinx-config/conf.py
index 6c70cf9804..3056687ff8 100644
--- a/doc/utils/sphinx-config/conf.py
+++ b/doc/utils/sphinx-config/conf.py
@@ -248,7 +248,7 @@ latex_documents = [
 # One entry per manual page. List of tuples
 # (source start file, name, description, authors, manual section).
 man_pages = [
-    ('Manual', 'liggghts', 'LAMMPS Documentation',
+    ('Manual', 'lammps', 'LAMMPS Documentation',
      ['Steve Plimpton'], 1)
 ]
 

From b76c7ddc8453b931e6d70e5857f09fc1be521dc1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Nov 2018 09:22:58 -0500
Subject: [PATCH 168/273] correct some incorrect writedata and single_enable
 settings

---
 src/USER-MISC/pair_ilp_graphene_hbn.cpp       |   1 -
 src/USER-MISC/pair_kolmogorov_crespi_full.cpp |   2 -
 src/USER-MISC/pair_kolmogorov_crespi_z.cpp    | 884 +++++++++---------
 src/USER-MISC/pair_srp.cpp                    |   1 +
 4 files changed, 443 insertions(+), 445 deletions(-)

diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
index f613f0aff0..6257c1d72b 100644
--- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp
+++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
@@ -46,7 +46,6 @@ using namespace LAMMPS_NS;
 
 PairILPGrapheneHBN::PairILPGrapheneHBN(LAMMPS *lmp) : Pair(lmp)
 {
-  writedata = 1;
   restartinfo = 0;
 
   // initialize element to parameter maps
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
index 2f868ae418..cbcf6c7934 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
@@ -46,8 +46,6 @@ using namespace LAMMPS_NS;
 
 PairKolmogorovCrespiFull::PairKolmogorovCrespiFull(LAMMPS *lmp) : Pair(lmp)
 {
-  writedata = 1;
-
   // initialize element to parameter maps
   nelements = 0;
   elements = NULL;
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
index b39b9fdb72..75edd42102 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
@@ -1,442 +1,442 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Jaap Kroes (Radboud Universiteit)
-   e-mail: jaapkroes at gmail dot com
-   based on previous versions by Merel van Wijk and by Marco Raguzzoni
-  
-   This is a simplified version of the potential described in
-   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
-   The simplification is that all normals are taken along the z-direction
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
-#include "pair_kolmogorov_crespi_z.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-
-#define MAXLINE 1024
-#define DELTA 4
-
-/* ---------------------------------------------------------------------- */
-
-PairKolmogorovCrespiZ::PairKolmogorovCrespiZ(LAMMPS *lmp) : Pair(lmp)
-{
-  writedata = 1;
-  restartinfo = 0;
-
-  // initialize element to parameter maps
-  nelements = 0;
-  elements = NULL;
-  nparams = maxparam = 0;
-  params = NULL;
-  elem2param = NULL;
-  map = NULL;
-
-  // always compute energy offset
-  offset_flag = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairKolmogorovCrespiZ::~PairKolmogorovCrespiZ()
-{
-  if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(cutsq);
-    memory->destroy(cut);
-    memory->destroy(offset);
-  }
-
-  if (elements)
-    for (int i = 0; i < nelements; i++) delete [] elements[i];
-  delete [] elements;
-  memory->destroy(params);
-  memory->destroy(elem2param);
-  if (allocated) delete [] map;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair, fpair1;
-  double rsq,r,rhosq,exp1,exp2,r6,r8;
-  double frho,sumC,sumC2,sumCff,fsum,rdsq;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-  
-  evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  int *type = atom->type;
-  int nlocal = atom->nlocal;
-  int newton_pair = force->newton_pair;
-
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // loop over neighbors of my atoms
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      jtype = type[j];
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      // rho^2 = r^2 - (n,r) = r^2 - z^2
-      rhosq = delx*delx + dely*dely;
-      rsq = rhosq + delz*delz;
-      
-      if (rsq < cutsq[itype][jtype]) {
-
-        int iparam_ij = elem2param[map[itype]][map[jtype]];
-        Param& p = params[iparam_ij];
-
-        r = sqrt(rsq);
-        r6 = rsq*rsq*rsq;
-        r8 = r6*rsq;
-        rdsq = rhosq*p.delta2inv; // (rho/delta)^2
-
-        // store exponents
-        exp1 = exp(-p.lambda*(r-p.z0));
-        exp2 = exp(-rdsq);
-
-        // note that f(rho_ij) equals f(rho_ji) as normals are all along z
-        sumC = p.C0+p.C2*rdsq+p.C4*rdsq*rdsq; 
-        sumC2 = (2*p.C2+4*p.C4*rdsq)*p.delta2inv;
-        frho = exp2*sumC;
-        sumCff = p.C + 2*frho;
-
-        // derivatives
-        fpair = -6.0*p.A*p.z06/r8+p.lambda*exp1/r*sumCff;
-        fpair1 = exp1*exp2*(4.0*p.delta2inv*sumC-2.0*sumC2);
-        fsum = fpair + fpair1;
-
-        f[i][0] += delx*fsum;
-        f[i][1] += dely*fsum;
-        // fi_z does not contain contributions from df/dr
-        // because rho_ij does not depend on z_i or z_j
-        f[i][2] += delz*fpair;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= delx*fsum;
-          f[j][1] -= dely*fsum;
-          f[j][2] -= delz*fpair;
-        }
-
-        if (eflag) {
-          evdwl = -p.A*p.z06/r6+ exp1*sumCff - offset[itype][jtype];
-        }
-
-        if (evflag){
-          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
-                       fsum,fsum,fpair,delx,dely,delz);
-        }
-      }
-    }
-  }
-
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiZ::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-  memory->create(cut,n+1,n+1,"pair:cut");
-  memory->create(offset,n+1,n+1,"pair:offset");
-  map = new int[atom->ntypes+1];
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiZ::settings(int narg, char **arg)
-{
-  if (narg != 1) error->all(FLERR,"Illegal pair_style command");
-  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
-    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
-
-  cut_global = force->numeric(FLERR,arg[0]);
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i; j <= atom->ntypes; j++)
-        if (setflag[i][j]) cut[i][j] = cut_global;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
-{
-  int i,j,n; 
-
-  if (narg != 3 + atom->ntypes) 
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  // read args that map atom types to elements in potential file
-  // map[i] = which element the Ith atom type is, -1 if NULL
-  // nelements = # of unique elements
-  // elements = list of element names
-
-  if (elements) {
-    for (i = 0; i < nelements; i++) delete [] elements[i];
-    delete [] elements;
-  }
-  elements = new char*[atom->ntypes];
-  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
-
-  nelements = 0;
-  for (i = 3; i < narg; i++) {
-    if (strcmp(arg[i],"NULL") == 0) {
-      map[i-2] = -1;
-      continue;
-    }
-    for (j = 0; j < nelements; j++)
-      if (strcmp(arg[i],elements[j]) == 0) break;
-    map[i-2] = j;
-    if (j == nelements) {
-      n = strlen(arg[i]) + 1;
-      elements[j] = new char[n];
-      strcpy(elements[j],arg[i]);
-      nelements++;
-    }
-  }
-
-
-  read_file(arg[2]);
-  
-  double cut_one = cut_global;
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairKolmogorovCrespiZ::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
-
-  if (offset_flag && (cut[i][j] > 0.0)) {
-    int iparam_ij = elem2param[map[i]][map[j]];
-    Param& p = params[iparam_ij];
-    offset[i][j] = -p.A*pow(p.z0/cut[i][j],6);
-  } else offset[i][j] = 0.0;
-  offset[j][i] = offset[i][j];
-
-  return cut[i][j];
-}
-
-/* ----------------------------------------------------------------------
-   read Kolmogorov-Crespi potential file
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiZ::read_file(char *filename)
-{
-  int params_per_line = 11;
-  char **words = new char*[params_per_line+1];
-  memory->sfree(params);
-  params = NULL;
-  nparams = maxparam = 0;
-
-  // open file on proc 0
-
-  FILE *fp;
-  if (comm->me == 0) {
-    fp = force->open_potential(filename);
-    if (fp == NULL) {
-      char str[128];
-      snprintf(str,128,"Cannot open KC potential file %s",filename);
-      error->one(FLERR,str);
-    }
-  }
-
-  // read each line out of file, skipping blank lines or leading '#'
-  // store line of params if all 3 element tags are in element list
-
-  int i,j,n,m,nwords,ielement,jelement;
-  char line[MAXLINE],*ptr;
-  int eof = 0;
-
-  while (1) {
-    if (comm->me == 0) {
-      ptr = fgets(line,MAXLINE,fp);
-      if (ptr == NULL) {
-        eof = 1;
-        fclose(fp);
-      } else n = strlen(line) + 1;
-    }
-    MPI_Bcast(&eof,1,MPI_INT,0,world);
-    if (eof) break;
-    MPI_Bcast(&n,1,MPI_INT,0,world);
-    MPI_Bcast(line,n,MPI_CHAR,0,world);
-
-    // strip comment, skip line if blank
-
-    if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = atom->count_words(line);
-    if (nwords == 0) continue;
-
-    // concatenate additional lines until have params_per_line words
-
-    while (nwords < params_per_line) {
-      n = strlen(line);
-      if (comm->me == 0) {
-        ptr = fgets(&line[n],MAXLINE-n,fp);
-        if (ptr == NULL) {
-          eof = 1;
-          fclose(fp);
-        } else n = strlen(line) + 1;
-      }
-      MPI_Bcast(&eof,1,MPI_INT,0,world);
-      if (eof) break;
-      MPI_Bcast(&n,1,MPI_INT,0,world);
-      MPI_Bcast(line,n,MPI_CHAR,0,world);
-      if ((ptr = strchr(line,'#'))) *ptr = '\0';
-      nwords = atom->count_words(line);
-    }
-
-    if (nwords != params_per_line)
-      error->all(FLERR,"Insufficient format in KC potential file");
-
-    // words = ptrs to all words in line
-
-    nwords = 0;
-    words[nwords++] = strtok(line," \t\n\r\f");
-    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
-
-    // ielement,jelement = 1st args
-    // if these 2 args are in element list, then parse this line
-    // else skip to next line (continue)
-
-    for (ielement = 0; ielement < nelements; ielement++)
-      if (strcmp(words[0],elements[ielement]) == 0) break;
-    if (ielement == nelements) continue;
-    for (jelement = 0; jelement < nelements; jelement++)
-      if (strcmp(words[1],elements[jelement]) == 0) break;
-    if (jelement == nelements) continue;
-
-    // load up parameter settings and error check their values
-
-    if (nparams == maxparam) {
-      maxparam += DELTA;
-      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
-                                          "pair:params");
-    }
-
-    params[nparams].ielement = ielement;
-    params[nparams].jelement = jelement;
-    params[nparams].z0       = atof(words[2]);
-    params[nparams].C0       = atof(words[3]);
-    params[nparams].C2       = atof(words[4]);
-    params[nparams].C4       = atof(words[5]);
-    params[nparams].C        = atof(words[6]);
-    params[nparams].delta    = atof(words[7]);
-    params[nparams].lambda   = atof(words[8]);
-    params[nparams].A        = atof(words[9]);
-    // S provides a convenient scaling of all energies
-    params[nparams].S        = atof(words[10]);
-
-    // energies in meV further scaled by S
-    double meV = 1.0e-3*params[nparams].S; 
-    params[nparams].C *= meV;
-    params[nparams].A *= meV;
-    params[nparams].C0 *= meV;
-    params[nparams].C2 *= meV;
-    params[nparams].C4 *= meV;
-
-    // precompute some quantities
-    params[nparams].delta2inv = pow(params[nparams].delta,-2);
-    params[nparams].z06 = pow(params[nparams].z0,6);
-
-    nparams++;
-    if(nparams >= pow(atom->ntypes,3)) break;
-  }
-  memory->destroy(elem2param);
-  memory->create(elem2param,nelements,nelements,"pair:elem2param");
-  for (i = 0; i < nelements; i++) {
-    for (j = 0; j < nelements; j++) {
-      n = -1;
-      for (m = 0; m < nparams; m++) {
-        if (i == params[m].ielement && j == params[m].jelement) {
-          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
-          n = m;
-        }
-      }
-      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
-      elem2param[i][j] = n;
-    }
-  }
-  delete [] words;
-}
-
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Jaap Kroes (Radboud Universiteit)
+   e-mail: jaapkroes at gmail dot com
+   based on previous versions by Merel van Wijk and by Marco Raguzzoni
+
+   This is a simplified version of the potential described in
+   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
+   The simplification is that all normals are taken along the z-direction
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include "pair_kolmogorov_crespi_z.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neigh_list.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define MAXLINE 1024
+#define DELTA 4
+
+/* ---------------------------------------------------------------------- */
+
+PairKolmogorovCrespiZ::PairKolmogorovCrespiZ(LAMMPS *lmp) : Pair(lmp)
+{
+  single_enable = 0;
+  restartinfo = 0;
+
+  // initialize element to parameter maps
+  nelements = 0;
+  elements = NULL;
+  nparams = maxparam = 0;
+  params = NULL;
+  elem2param = NULL;
+  map = NULL;
+
+  // always compute energy offset
+  offset_flag = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairKolmogorovCrespiZ::~PairKolmogorovCrespiZ()
+{
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    memory->destroy(cut);
+    memory->destroy(offset);
+  }
+
+  if (elements)
+    for (int i = 0; i < nelements; i++) delete [] elements[i];
+  delete [] elements;
+  memory->destroy(params);
+  memory->destroy(elem2param);
+  if (allocated) delete [] map;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair, fpair1;
+  double rsq,r,rhosq,exp1,exp2,r6,r8;
+  double frho,sumC,sumC2,sumCff,fsum,rdsq;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  
+  evdwl = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // loop over neighbors of my atoms
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      // rho^2 = r^2 - (n,r) = r^2 - z^2
+      rhosq = delx*delx + dely*dely;
+      rsq = rhosq + delz*delz;
+      
+      if (rsq < cutsq[itype][jtype]) {
+
+        int iparam_ij = elem2param[map[itype]][map[jtype]];
+        Param& p = params[iparam_ij];
+
+        r = sqrt(rsq);
+        r6 = rsq*rsq*rsq;
+        r8 = r6*rsq;
+        rdsq = rhosq*p.delta2inv; // (rho/delta)^2
+
+        // store exponents
+        exp1 = exp(-p.lambda*(r-p.z0));
+        exp2 = exp(-rdsq);
+
+        // note that f(rho_ij) equals f(rho_ji) as normals are all along z
+        sumC = p.C0+p.C2*rdsq+p.C4*rdsq*rdsq; 
+        sumC2 = (2*p.C2+4*p.C4*rdsq)*p.delta2inv;
+        frho = exp2*sumC;
+        sumCff = p.C + 2*frho;
+
+        // derivatives
+        fpair = -6.0*p.A*p.z06/r8+p.lambda*exp1/r*sumCff;
+        fpair1 = exp1*exp2*(4.0*p.delta2inv*sumC-2.0*sumC2);
+        fsum = fpair + fpair1;
+
+        f[i][0] += delx*fsum;
+        f[i][1] += dely*fsum;
+        // fi_z does not contain contributions from df/dr
+        // because rho_ij does not depend on z_i or z_j
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fsum;
+          f[j][1] -= dely*fsum;
+          f[j][2] -= delz*fpair;
+        }
+
+        if (eflag) {
+          evdwl = -p.A*p.z06/r6+ exp1*sumCff - offset[itype][jtype];
+        }
+
+        if (evflag){
+          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
+                       fsum,fsum,fpair,delx,dely,delz);
+        }
+      }
+    }
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiZ::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+  memory->create(cut,n+1,n+1,"pair:cut");
+  memory->create(offset,n+1,n+1,"pair:offset");
+  map = new int[atom->ntypes+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiZ::settings(int narg, char **arg)
+{
+  if (narg != 1) error->all(FLERR,"Illegal pair_style command");
+  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
+    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
+
+  cut_global = force->numeric(FLERR,arg[0]);
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i; j <= atom->ntypes; j++)
+        if (setflag[i][j]) cut[i][j] = cut_global;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
+{
+  int i,j,n; 
+
+  if (narg != 3 + atom->ntypes) 
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  // read args that map atom types to elements in potential file
+  // map[i] = which element the Ith atom type is, -1 if NULL
+  // nelements = # of unique elements
+  // elements = list of element names
+
+  if (elements) {
+    for (i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+  }
+  elements = new char*[atom->ntypes];
+  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
+
+  nelements = 0;
+  for (i = 3; i < narg; i++) {
+    if (strcmp(arg[i],"NULL") == 0) {
+      map[i-2] = -1;
+      continue;
+    }
+    for (j = 0; j < nelements; j++)
+      if (strcmp(arg[i],elements[j]) == 0) break;
+    map[i-2] = j;
+    if (j == nelements) {
+      n = strlen(arg[i]) + 1;
+      elements[j] = new char[n];
+      strcpy(elements[j],arg[i]);
+      nelements++;
+    }
+  }
+
+
+  read_file(arg[2]);
+  
+  double cut_one = cut_global;
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      cut[i][j] = cut_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairKolmogorovCrespiZ::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  if (offset_flag && (cut[i][j] > 0.0)) {
+    int iparam_ij = elem2param[map[i]][map[j]];
+    Param& p = params[iparam_ij];
+    offset[i][j] = -p.A*pow(p.z0/cut[i][j],6);
+  } else offset[i][j] = 0.0;
+  offset[j][i] = offset[i][j];
+
+  return cut[i][j];
+}
+
+/* ----------------------------------------------------------------------
+   read Kolmogorov-Crespi potential file
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiZ::read_file(char *filename)
+{
+  int params_per_line = 11;
+  char **words = new char*[params_per_line+1];
+  memory->sfree(params);
+  params = NULL;
+  nparams = maxparam = 0;
+
+  // open file on proc 0
+
+  FILE *fp;
+  if (comm->me == 0) {
+    fp = force->open_potential(filename);
+    if (fp == NULL) {
+      char str[128];
+      snprintf(str,128,"Cannot open KC potential file %s",filename);
+      error->one(FLERR,str);
+    }
+  }
+
+  // read each line out of file, skipping blank lines or leading '#'
+  // store line of params if all 3 element tags are in element list
+
+  int i,j,n,m,nwords,ielement,jelement;
+  char line[MAXLINE],*ptr;
+  int eof = 0;
+
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nwords = atom->count_words(line);
+    if (nwords == 0) continue;
+
+    // concatenate additional lines until have params_per_line words
+
+    while (nwords < params_per_line) {
+      n = strlen(line);
+      if (comm->me == 0) {
+        ptr = fgets(&line[n],MAXLINE-n,fp);
+        if (ptr == NULL) {
+          eof = 1;
+          fclose(fp);
+        } else n = strlen(line) + 1;
+      }
+      MPI_Bcast(&eof,1,MPI_INT,0,world);
+      if (eof) break;
+      MPI_Bcast(&n,1,MPI_INT,0,world);
+      MPI_Bcast(line,n,MPI_CHAR,0,world);
+      if ((ptr = strchr(line,'#'))) *ptr = '\0';
+      nwords = atom->count_words(line);
+    }
+
+    if (nwords != params_per_line)
+      error->all(FLERR,"Insufficient format in KC potential file");
+
+    // words = ptrs to all words in line
+
+    nwords = 0;
+    words[nwords++] = strtok(line," \t\n\r\f");
+    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+
+    // ielement,jelement = 1st args
+    // if these 2 args are in element list, then parse this line
+    // else skip to next line (continue)
+
+    for (ielement = 0; ielement < nelements; ielement++)
+      if (strcmp(words[0],elements[ielement]) == 0) break;
+    if (ielement == nelements) continue;
+    for (jelement = 0; jelement < nelements; jelement++)
+      if (strcmp(words[1],elements[jelement]) == 0) break;
+    if (jelement == nelements) continue;
+
+    // load up parameter settings and error check their values
+
+    if (nparams == maxparam) {
+      maxparam += DELTA;
+      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
+                                          "pair:params");
+    }
+
+    params[nparams].ielement = ielement;
+    params[nparams].jelement = jelement;
+    params[nparams].z0       = atof(words[2]);
+    params[nparams].C0       = atof(words[3]);
+    params[nparams].C2       = atof(words[4]);
+    params[nparams].C4       = atof(words[5]);
+    params[nparams].C        = atof(words[6]);
+    params[nparams].delta    = atof(words[7]);
+    params[nparams].lambda   = atof(words[8]);
+    params[nparams].A        = atof(words[9]);
+    // S provides a convenient scaling of all energies
+    params[nparams].S        = atof(words[10]);
+
+    // energies in meV further scaled by S
+    double meV = 1.0e-3*params[nparams].S; 
+    params[nparams].C *= meV;
+    params[nparams].A *= meV;
+    params[nparams].C0 *= meV;
+    params[nparams].C2 *= meV;
+    params[nparams].C4 *= meV;
+
+    // precompute some quantities
+    params[nparams].delta2inv = pow(params[nparams].delta,-2);
+    params[nparams].z06 = pow(params[nparams].z0,6);
+
+    nparams++;
+    if(nparams >= pow(atom->ntypes,3)) break;
+  }
+  memory->destroy(elem2param);
+  memory->create(elem2param,nelements,nelements,"pair:elem2param");
+  for (i = 0; i < nelements; i++) {
+    for (j = 0; j < nelements; j++) {
+      n = -1;
+      for (m = 0; m < nparams; m++) {
+        if (i == params[m].ielement && j == params[m].jelement) {
+          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
+          n = m;
+        }
+      }
+      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
+      elem2param[i][j] = n;
+    }
+  }
+  delete [] words;
+}
+
+/* ---------------------------------------------------------------------- */
diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp
index 7297b545f9..93ef09386a 100644
--- a/src/USER-MISC/pair_srp.cpp
+++ b/src/USER-MISC/pair_srp.cpp
@@ -68,6 +68,7 @@ static int srp_instance = 0;
 PairSRP::PairSRP(LAMMPS *lmp) : Pair(lmp)
 {
   writedata = 1;
+  single_enable = 0;
 
   if (lmp->citeme) lmp->citeme->add(cite_srp);
 

From 5af7f52370efa6f7b69694f475bc47c08e394315 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 24 Nov 2018 16:47:18 -0500
Subject: [PATCH 169/273] formatting tweak for labels, add checking item for
 added pair styles

---
 doc/github-development-workflow.md | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/doc/github-development-workflow.md b/doc/github-development-workflow.md
index 8b3dc4687c..a34c3389df 100644
--- a/doc/github-development-workflow.md
+++ b/doc/github-development-workflow.md
@@ -55,11 +55,11 @@ required changes or ask the submitter of the pull request to implement
 them.  Even though, all LAMMPS developers may have write access to pull
 requests (if enabled by the submitter, which is the default), only the
 submitter or the assignee of a pull request may do so.  During this
-period the "work_in_progress" label shall be applied to the pull
+period the `work_in_progress` label shall be applied to the pull
 request.  The assignee gets to decide what happens to the pull request
 next, e.g. whether it should be assigned to a different developer for
 additional checks and changes, or is recommended to be merged.  Removing
-the "work_in_progress" label and assigning the pull request to the
+the `work_in_progress` label and assigning the pull request to the
 developer tasked with merging signals that a pull request is ready to be
 merged.
 
@@ -145,6 +145,9 @@ Here are some items to check:
   compiling LAMMPS with `-DLAMMPS_BIGBIG`.
   * when including both `lmptype.h` (and using defines or macros from it)
   and `mpi.h`, `lmptype.h` must be included first.
+  * when pair styles are added, check if settings for flags like
+  `single_enable`, `writedata`, `reinitflag`, `manybody_flag`
+  and others are correctly set and supported.
 
 ## GitHub Issues
 

From f50ff9a9e31a38ad867b31c24d080fe7c28b5156 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 24 Nov 2018 16:47:59 -0500
Subject: [PATCH 170/273] use C++ style include files in USER-PTM package
 consistently

---
 src/USER-PTM/ptm_canonical_coloured.cpp      | 2 +-
 src/USER-PTM/ptm_convex_hull_incremental.cpp | 2 +-
 src/USER-PTM/ptm_graph_tools.cpp             | 2 +-
 src/USER-PTM/ptm_index.cpp                   | 2 +-
 src/USER-PTM/ptm_initialize_data.cpp         | 2 +-
 src/USER-PTM/ptm_polar.cpp                   | 2 +-
 src/USER-PTM/ptm_quat.cpp                    | 2 +-
 src/USER-PTM/ptm_structure_matcher.cpp       | 2 +-
 8 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/src/USER-PTM/ptm_canonical_coloured.cpp b/src/USER-PTM/ptm_canonical_coloured.cpp
index ade8f23b15..56fcd3a603 100644
--- a/src/USER-PTM/ptm_canonical_coloured.cpp
+++ b/src/USER-PTM/ptm_canonical_coloured.cpp
@@ -1,4 +1,4 @@
-#include <string.h>
+#include <cstring>
 #include <climits>
 #include <algorithm>
 #include "ptm_graph_tools.h"
diff --git a/src/USER-PTM/ptm_convex_hull_incremental.cpp b/src/USER-PTM/ptm_convex_hull_incremental.cpp
index 7c79fd371a..2b5972261b 100644
--- a/src/USER-PTM/ptm_convex_hull_incremental.cpp
+++ b/src/USER-PTM/ptm_convex_hull_incremental.cpp
@@ -1,6 +1,6 @@
 #include <cmath>
 #include <cfloat>
-#include <string.h>
+#include <cstring>
 #include <cassert>
 #include <algorithm>
 #include "ptm_convex_hull_incremental.h"
diff --git a/src/USER-PTM/ptm_graph_tools.cpp b/src/USER-PTM/ptm_graph_tools.cpp
index f6fd34d097..7f9dcaa6c7 100644
--- a/src/USER-PTM/ptm_graph_tools.cpp
+++ b/src/USER-PTM/ptm_graph_tools.cpp
@@ -1,4 +1,4 @@
-#include <string.h>
+#include <cstring>
 #include <algorithm>
 #include "ptm_graph_tools.h"
 #include "ptm_constants.h"
diff --git a/src/USER-PTM/ptm_index.cpp b/src/USER-PTM/ptm_index.cpp
index 24998dadd0..28cbcbd6f5 100644
--- a/src/USER-PTM/ptm_index.cpp
+++ b/src/USER-PTM/ptm_index.cpp
@@ -1,6 +1,6 @@
 #include <cstdio>
 #include <cstdlib>
-#include <string.h>
+#include <cstring>
 #include <cmath>
 #include <cfloat>
 #include <cassert>
diff --git a/src/USER-PTM/ptm_initialize_data.cpp b/src/USER-PTM/ptm_initialize_data.cpp
index 8d96e2a2b7..3a0ed5e466 100644
--- a/src/USER-PTM/ptm_initialize_data.cpp
+++ b/src/USER-PTM/ptm_initialize_data.cpp
@@ -1,6 +1,6 @@
 #include <cstdio>
 #include <cstdlib>
-#include <string.h>
+#include <cstring>
 #include <cmath>
 #include <cfloat>
 #include <cassert>
diff --git a/src/USER-PTM/ptm_polar.cpp b/src/USER-PTM/ptm_polar.cpp
index 2c255f386b..d75424e11f 100644
--- a/src/USER-PTM/ptm_polar.cpp
+++ b/src/USER-PTM/ptm_polar.cpp
@@ -87,7 +87,7 @@
 
 #include <cmath>
 #include <algorithm>
-#include <string.h>
+#include <cstring>
 #include "ptm_quat.h"
 #include "ptm_polar.h"
 
diff --git a/src/USER-PTM/ptm_quat.cpp b/src/USER-PTM/ptm_quat.cpp
index 376cc74901..0d1787984e 100644
--- a/src/USER-PTM/ptm_quat.cpp
+++ b/src/USER-PTM/ptm_quat.cpp
@@ -1,4 +1,4 @@
-#include <string.h>
+#include <cstring>
 #include <cmath>
 #include <cfloat>
 
diff --git a/src/USER-PTM/ptm_structure_matcher.cpp b/src/USER-PTM/ptm_structure_matcher.cpp
index a86b3670ce..169a2d0256 100644
--- a/src/USER-PTM/ptm_structure_matcher.cpp
+++ b/src/USER-PTM/ptm_structure_matcher.cpp
@@ -1,6 +1,6 @@
 #include <cstdio>
 #include <cstdlib>
-#include <string.h>
+#include <cstring>
 #include <cmath>
 #include <cfloat>
 #include <cassert>

From 179e84f282899e0ad0c1acf4d749a4476ad60a0f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 24 Nov 2018 16:53:02 -0500
Subject: [PATCH 171/273] replace dos/windows-style CR-LF line endings with
 unix style LF-only

---
 .../Makefile.aarch64_arm_openmpi_armpl        |  242 +--
 .../Makefile.aarch64_arm_serial_armpl         |  240 +--
 .../Makefile.aarch64_g++_openmpi_armpl        |  242 +--
 .../Makefile.aarch64_g++_serial_armpl         |  240 +--
 src/USER-INTEL/TEST/in.intel.water            |   94 +-
 src/USER-MISC/pair_kolmogorov_crespi_z.h      |  166 +--
 src/USER-MISC/pair_lj_mdf.cpp                 |  790 +++++-----
 src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp | 1180 +++++++--------
 .../pair_buck6d_coul_gauss_long.cpp           | 1292 ++++++++---------
 9 files changed, 2243 insertions(+), 2243 deletions(-)

diff --git a/src/MAKE/MACHINES/Makefile.aarch64_arm_openmpi_armpl b/src/MAKE/MACHINES/Makefile.aarch64_arm_openmpi_armpl
index 0f5087618b..9f29e9a87e 100644
--- a/src/MAKE/MACHINES/Makefile.aarch64_arm_openmpi_armpl
+++ b/src/MAKE/MACHINES/Makefile.aarch64_arm_openmpi_armpl
@@ -1,121 +1,121 @@
-# g++_openmpi = OpenMPI with compiler set to GNU g++
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-#export OMPI_CXX = armclang++
-CC =		mpicxx
-CCFLAGS =	-O3 -mcpu=native
-SHFLAGS =	-fPIC
-DEPFLAGS =	-M
-
-LINK =		mpicxx
-LINKFLAGS =	-g -O
-LIB = 
-SIZE =		size
-
-ARCHIVE =	ar
-ARFLAGS =	-rc
-SHLIBFLAGS =	-shared
-
-# ---------------------------------------------------------------------
-# LAMMPS-specific settings, all OPTIONAL
-# specify settings for LAMMPS features you will use
-# if you change any -D setting, do full re-compile after "make clean"
-
-# LAMMPS ifdef settings
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC =	-DLAMMPS_GZIP
-
-# MPI library
-# see discussion in Section 2.2 (step 5) of manual
-# MPI wrapper compiler/linker can provide this info
-# can point to dummy MPI library in src/STUBS as in Makefile.serial
-# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
-# INC = path for mpi.h, MPI compiler settings
-# PATH = path for MPI library
-# LIB = name of MPI library
-
-MPI_INC =       -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
-MPI_PATH = 
-MPI_LIB =	
-
-# FFT library
-# see discussion in Section 2.2 (step 6) of manaul
-# can be left blank to use provided KISS FFT library
-# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
-# PATH = path for FFT library
-# LIB = name of FFT library
-
-FFT_INC = -DFFT_FFTW 
-FFT_PATH = -L$(ARMPL_LIBRARIES)
-FFT_LIB =  -larmpl_lp64
-
-# JPEG and/or PNG library
-# see discussion in Section 2.2 (step 7) of manual
-# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
-# INC = path(s) for jpeglib.h and/or png.h
-# PATH = path(s) for JPEG library and/or PNG library
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =       
-JPG_PATH = 	
-JPG_LIB =	
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include	Makefile.package.settings
-include	Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
-	$(SIZE) $(EXE)
-
-# Library targets
-
-lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
-        $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-depend : fastdep.exe $(SRC)
-	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
-
-fastdep.exe: ../DEPEND/fastdep.c
-	cc -O -o $@ $<
-
-sinclude .depend
+# g++_openmpi = OpenMPI with compiler set to GNU g++
+
+SHELL = /bin/sh
+
+# ---------------------------------------------------------------------
+# compiler/linker settings
+# specify flags and libraries needed for your compiler
+
+#export OMPI_CXX = armclang++
+CC =		mpicxx
+CCFLAGS =	-O3 -mcpu=native
+SHFLAGS =	-fPIC
+DEPFLAGS =	-M
+
+LINK =		mpicxx
+LINKFLAGS =	-g -O
+LIB = 
+SIZE =		size
+
+ARCHIVE =	ar
+ARFLAGS =	-rc
+SHLIBFLAGS =	-shared
+
+# ---------------------------------------------------------------------
+# LAMMPS-specific settings, all OPTIONAL
+# specify settings for LAMMPS features you will use
+# if you change any -D setting, do full re-compile after "make clean"
+
+# LAMMPS ifdef settings
+# see possible settings in Section 2.2 (step 4) of manual
+
+LMP_INC =	-DLAMMPS_GZIP
+
+# MPI library
+# see discussion in Section 2.2 (step 5) of manual
+# MPI wrapper compiler/linker can provide this info
+# can point to dummy MPI library in src/STUBS as in Makefile.serial
+# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
+# INC = path for mpi.h, MPI compiler settings
+# PATH = path for MPI library
+# LIB = name of MPI library
+
+MPI_INC =       -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
+MPI_PATH = 
+MPI_LIB =	
+
+# FFT library
+# see discussion in Section 2.2 (step 6) of manaul
+# can be left blank to use provided KISS FFT library
+# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
+# PATH = path for FFT library
+# LIB = name of FFT library
+
+FFT_INC = -DFFT_FFTW 
+FFT_PATH = -L$(ARMPL_LIBRARIES)
+FFT_LIB =  -larmpl_lp64
+
+# JPEG and/or PNG library
+# see discussion in Section 2.2 (step 7) of manual
+# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
+# INC = path(s) for jpeglib.h and/or png.h
+# PATH = path(s) for JPEG library and/or PNG library
+# LIB = name(s) of JPEG library and/or PNG library
+
+JPG_INC =       
+JPG_PATH = 	
+JPG_LIB =	
+
+# ---------------------------------------------------------------------
+# build rules and dependencies
+# do not edit this section
+
+include	Makefile.package.settings
+include	Makefile.package
+
+EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
+EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
+EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
+EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
+EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
+
+# Path to src files
+
+vpath %.cpp ..
+vpath %.h ..
+
+# Link target
+
+$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
+	$(SIZE) $(EXE)
+
+# Library targets
+
+lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
+shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
+        $(OBJ) $(EXTRA_LIB) $(LIB)
+
+# Compilation rules
+
+%.o:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+%.d:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
+
+%.o:%.cu $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+# Individual dependencies
+
+depend : fastdep.exe $(SRC)
+	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
+
+fastdep.exe: ../DEPEND/fastdep.c
+	cc -O -o $@ $<
+
+sinclude .depend
diff --git a/src/MAKE/MACHINES/Makefile.aarch64_arm_serial_armpl b/src/MAKE/MACHINES/Makefile.aarch64_arm_serial_armpl
index c303a97e17..6397118357 100644
--- a/src/MAKE/MACHINES/Makefile.aarch64_arm_serial_armpl
+++ b/src/MAKE/MACHINES/Makefile.aarch64_arm_serial_armpl
@@ -1,120 +1,120 @@
-# arm_serial = Arm armclang compiler, no MPI
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-CC =		armclang++
-CCFLAGS =	-O3 -mcpu=native
-SHFLAGS =	-fPIC
-DEPFLAGS =	-M
-
-LINK =		armclang++
-LINKFLAGS =	-g -O 
-LIB =       
-SIZE =		size
-
-ARCHIVE =	ar
-ARFLAGS =	-rc
-SHLIBFLAGS =	-shared
-
-# ---------------------------------------------------------------------
-# LAMMPS-specific settings, all OPTIONAL
-# specify settings for LAMMPS features you will use
-# if you change any -D setting, do full re-compile after "make clean"
-
-# LAMMPS ifdef settings
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC =	-DLAMMPS_GZIP
-
-# MPI library
-# see discussion in Section 2.2 (step 5) of manual
-# MPI wrapper compiler/linker can provide this info
-# can point to dummy MPI library in src/STUBS as in Makefile.serial
-# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
-# INC = path for mpi.h, MPI compiler settings
-# PATH = path for MPI library
-# LIB = name of MPI library
-
-MPI_INC =       -I../STUBS
-MPI_PATH =      -L../STUBS
-MPI_LIB =	-lmpi_stubs
-
-# FFT library
-# see discussion in Section 2.2 (step 6) of manaul
-# can be left blank to use provided KISS FFT library
-# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
-# PATH = path for FFT library
-# LIB = name of FFT library
-
-FFT_INC = -DFFT_FFTW 
-FFT_PATH = -L$(ARMPL_LIBRARIES)
-FFT_LIB =  -larmpl_lp64
-
-# JPEG and/or PNG library
-# see discussion in Section 2.2 (step 7) of manual
-# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
-# INC = path(s) for jpeglib.h and/or png.h
-# PATH = path(s) for JPEG library and/or PNG library
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =       
-JPG_PATH = 	
-JPG_LIB =	
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include	Makefile.package.settings
-include	Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
-	$(SIZE) $(EXE)
-
-# Library targets
-
-lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
-        $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-depend : fastdep.exe $(SRC)
-	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
-
-fastdep.exe: ../DEPEND/fastdep.c
-	cc -O -o $@ $<
-
-sinclude .depend
+# arm_serial = Arm armclang compiler, no MPI
+
+SHELL = /bin/sh
+
+# ---------------------------------------------------------------------
+# compiler/linker settings
+# specify flags and libraries needed for your compiler
+
+CC =		armclang++
+CCFLAGS =	-O3 -mcpu=native
+SHFLAGS =	-fPIC
+DEPFLAGS =	-M
+
+LINK =		armclang++
+LINKFLAGS =	-g -O 
+LIB =       
+SIZE =		size
+
+ARCHIVE =	ar
+ARFLAGS =	-rc
+SHLIBFLAGS =	-shared
+
+# ---------------------------------------------------------------------
+# LAMMPS-specific settings, all OPTIONAL
+# specify settings for LAMMPS features you will use
+# if you change any -D setting, do full re-compile after "make clean"
+
+# LAMMPS ifdef settings
+# see possible settings in Section 2.2 (step 4) of manual
+
+LMP_INC =	-DLAMMPS_GZIP
+
+# MPI library
+# see discussion in Section 2.2 (step 5) of manual
+# MPI wrapper compiler/linker can provide this info
+# can point to dummy MPI library in src/STUBS as in Makefile.serial
+# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
+# INC = path for mpi.h, MPI compiler settings
+# PATH = path for MPI library
+# LIB = name of MPI library
+
+MPI_INC =       -I../STUBS
+MPI_PATH =      -L../STUBS
+MPI_LIB =	-lmpi_stubs
+
+# FFT library
+# see discussion in Section 2.2 (step 6) of manaul
+# can be left blank to use provided KISS FFT library
+# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
+# PATH = path for FFT library
+# LIB = name of FFT library
+
+FFT_INC = -DFFT_FFTW 
+FFT_PATH = -L$(ARMPL_LIBRARIES)
+FFT_LIB =  -larmpl_lp64
+
+# JPEG and/or PNG library
+# see discussion in Section 2.2 (step 7) of manual
+# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
+# INC = path(s) for jpeglib.h and/or png.h
+# PATH = path(s) for JPEG library and/or PNG library
+# LIB = name(s) of JPEG library and/or PNG library
+
+JPG_INC =       
+JPG_PATH = 	
+JPG_LIB =	
+
+# ---------------------------------------------------------------------
+# build rules and dependencies
+# do not edit this section
+
+include	Makefile.package.settings
+include	Makefile.package
+
+EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
+EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
+EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
+EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
+EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
+
+# Path to src files
+
+vpath %.cpp ..
+vpath %.h ..
+
+# Link target
+
+$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
+	$(SIZE) $(EXE)
+
+# Library targets
+
+lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
+shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
+        $(OBJ) $(EXTRA_LIB) $(LIB)
+
+# Compilation rules
+
+%.o:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+%.d:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
+
+%.o:%.cu $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+# Individual dependencies
+
+depend : fastdep.exe $(SRC)
+	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
+
+fastdep.exe: ../DEPEND/fastdep.c
+	cc -O -o $@ $<
+
+sinclude .depend
diff --git a/src/MAKE/MACHINES/Makefile.aarch64_g++_openmpi_armpl b/src/MAKE/MACHINES/Makefile.aarch64_g++_openmpi_armpl
index b3cc1f48a3..933c97cba4 100644
--- a/src/MAKE/MACHINES/Makefile.aarch64_g++_openmpi_armpl
+++ b/src/MAKE/MACHINES/Makefile.aarch64_g++_openmpi_armpl
@@ -1,121 +1,121 @@
-# g++_openmpi = OpenMPI with compiler set to GNU g++
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-export OMPI_CXX = g++
-CC =		mpicxx
-CCFLAGS =	-O3 -march=native -mcpu=native
-SHFLAGS =	-fPIC
-DEPFLAGS =	-M
-
-LINK =		mpicxx
-LINKFLAGS =	-O
-LIB = 
-SIZE =		size
-
-ARCHIVE =	ar
-ARFLAGS =	-rc
-SHLIBFLAGS =	-shared
-
-# ---------------------------------------------------------------------
-# LAMMPS-specific settings, all OPTIONAL
-# specify settings for LAMMPS features you will use
-# if you change any -D setting, do full re-compile after "make clean"
-
-# LAMMPS ifdef settings
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC =	-DLAMMPS_GZIP
-
-# MPI library
-# see discussion in Section 2.2 (step 5) of manual
-# MPI wrapper compiler/linker can provide this info
-# can point to dummy MPI library in src/STUBS as in Makefile.serial
-# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
-# INC = path for mpi.h, MPI compiler settings
-# PATH = path for MPI library
-# LIB = name of MPI library
-
-MPI_INC =       -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
-MPI_PATH = 
-MPI_LIB =	
-
-# FFT library
-# see discussion in Section 2.2 (step 6) of manaul
-# can be left blank to use provided KISS FFT library
-# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
-# PATH = path for FFT library
-# LIB = name of FFT library
-
-FFT_INC = -DFFT_FFTW
-FFT_PATH = -L$(ARMPL_LIBRARIES)
-FFT_LIB =  -larmpl_lp64
-
-# JPEG and/or PNG library
-# see discussion in Section 2.2 (step 7) of manual
-# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
-# INC = path(s) for jpeglib.h and/or png.h
-# PATH = path(s) for JPEG library and/or PNG library
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =       
-JPG_PATH = 	
-JPG_LIB =	
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include	Makefile.package.settings
-include	Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
-	$(SIZE) $(EXE)
-
-# Library targets
-
-lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
-        $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-depend : fastdep.exe $(SRC)
-	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
-
-fastdep.exe: ../DEPEND/fastdep.c
-	cc -O -o $@ $<
-
-sinclude .depend
+# g++_openmpi = OpenMPI with compiler set to GNU g++
+
+SHELL = /bin/sh
+
+# ---------------------------------------------------------------------
+# compiler/linker settings
+# specify flags and libraries needed for your compiler
+
+export OMPI_CXX = g++
+CC =		mpicxx
+CCFLAGS =	-O3 -march=native -mcpu=native
+SHFLAGS =	-fPIC
+DEPFLAGS =	-M
+
+LINK =		mpicxx
+LINKFLAGS =	-O
+LIB = 
+SIZE =		size
+
+ARCHIVE =	ar
+ARFLAGS =	-rc
+SHLIBFLAGS =	-shared
+
+# ---------------------------------------------------------------------
+# LAMMPS-specific settings, all OPTIONAL
+# specify settings for LAMMPS features you will use
+# if you change any -D setting, do full re-compile after "make clean"
+
+# LAMMPS ifdef settings
+# see possible settings in Section 2.2 (step 4) of manual
+
+LMP_INC =	-DLAMMPS_GZIP
+
+# MPI library
+# see discussion in Section 2.2 (step 5) of manual
+# MPI wrapper compiler/linker can provide this info
+# can point to dummy MPI library in src/STUBS as in Makefile.serial
+# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
+# INC = path for mpi.h, MPI compiler settings
+# PATH = path for MPI library
+# LIB = name of MPI library
+
+MPI_INC =       -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
+MPI_PATH = 
+MPI_LIB =	
+
+# FFT library
+# see discussion in Section 2.2 (step 6) of manaul
+# can be left blank to use provided KISS FFT library
+# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
+# PATH = path for FFT library
+# LIB = name of FFT library
+
+FFT_INC = -DFFT_FFTW
+FFT_PATH = -L$(ARMPL_LIBRARIES)
+FFT_LIB =  -larmpl_lp64
+
+# JPEG and/or PNG library
+# see discussion in Section 2.2 (step 7) of manual
+# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
+# INC = path(s) for jpeglib.h and/or png.h
+# PATH = path(s) for JPEG library and/or PNG library
+# LIB = name(s) of JPEG library and/or PNG library
+
+JPG_INC =       
+JPG_PATH = 	
+JPG_LIB =	
+
+# ---------------------------------------------------------------------
+# build rules and dependencies
+# do not edit this section
+
+include	Makefile.package.settings
+include	Makefile.package
+
+EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
+EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
+EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
+EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
+EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
+
+# Path to src files
+
+vpath %.cpp ..
+vpath %.h ..
+
+# Link target
+
+$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
+	$(SIZE) $(EXE)
+
+# Library targets
+
+lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
+shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
+        $(OBJ) $(EXTRA_LIB) $(LIB)
+
+# Compilation rules
+
+%.o:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+%.d:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
+
+%.o:%.cu $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+# Individual dependencies
+
+depend : fastdep.exe $(SRC)
+	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
+
+fastdep.exe: ../DEPEND/fastdep.c
+	cc -O -o $@ $<
+
+sinclude .depend
diff --git a/src/MAKE/MACHINES/Makefile.aarch64_g++_serial_armpl b/src/MAKE/MACHINES/Makefile.aarch64_g++_serial_armpl
index 45c0bb162b..e7f1a81f3b 100644
--- a/src/MAKE/MACHINES/Makefile.aarch64_g++_serial_armpl
+++ b/src/MAKE/MACHINES/Makefile.aarch64_g++_serial_armpl
@@ -1,120 +1,120 @@
-# g++_serial = GNU g++ compiler, no MPI
-
-SHELL = /bin/sh
-
-# ---------------------------------------------------------------------
-# compiler/linker settings
-# specify flags and libraries needed for your compiler
-
-CC =		g++
-CCFLAGS =	-O3 -march=native -mcpu=native
-SHFLAGS =	-fPIC
-DEPFLAGS =	-M
-
-LINK =		g++
-LINKFLAGS =	-O
-LIB = 
-SIZE =		size
-
-ARCHIVE =	ar
-ARFLAGS =	-rc
-SHLIBFLAGS =	-shared
-
-# ---------------------------------------------------------------------
-# LAMMPS-specific settings, all OPTIONAL
-# specify settings for LAMMPS features you will use
-# if you change any -D setting, do full re-compile after "make clean"
-
-# LAMMPS ifdef settings
-# see possible settings in Section 2.2 (step 4) of manual
-
-LMP_INC =	-DLAMMPS_GZIP
-
-# MPI library
-# see discussion in Section 2.2 (step 5) of manual
-# MPI wrapper compiler/linker can provide this info
-# can point to dummy MPI library in src/STUBS as in Makefile.serial
-# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
-# INC = path for mpi.h, MPI compiler settings
-# PATH = path for MPI library
-# LIB = name of MPI library
-
-MPI_INC =       -I../STUBS 
-MPI_PATH =      -L../STUBS
-MPI_LIB =	-lmpi_stubs
-
-# FFT library
-# see discussion in Section 2.2 (step 6) of manaul
-# can be left blank to use provided KISS FFT library
-# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
-# PATH = path for FFT library
-# LIB = name of FFT library
-
-FFT_INC = -DFFT_FFTW
-FFT_PATH = -L$(ARMPL_LIBRARIES)
-FFT_LIB =  -larmpl_lp64
-
-# JPEG and/or PNG library
-# see discussion in Section 2.2 (step 7) of manual
-# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
-# INC = path(s) for jpeglib.h and/or png.h
-# PATH = path(s) for JPEG library and/or PNG library
-# LIB = name(s) of JPEG library and/or PNG library
-
-JPG_INC =       
-JPG_PATH = 	
-JPG_LIB =	
-
-# ---------------------------------------------------------------------
-# build rules and dependencies
-# do not edit this section
-
-include	Makefile.package.settings
-include	Makefile.package
-
-EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
-EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
-EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
-EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
-EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
-
-# Path to src files
-
-vpath %.cpp ..
-vpath %.h ..
-
-# Link target
-
-$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
-	$(SIZE) $(EXE)
-
-# Library targets
-
-lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
-
-shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
-        $(OBJ) $(EXTRA_LIB) $(LIB)
-
-# Compilation rules
-
-%.o:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-%.d:%.cpp $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
-
-%.o:%.cu $(EXTRA_CPP_DEPENDS)
-	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
-
-# Individual dependencies
-
-depend : fastdep.exe $(SRC)
-	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
-
-fastdep.exe: ../DEPEND/fastdep.c
-	cc -O -o $@ $<
-
-sinclude .depend
+# g++_serial = GNU g++ compiler, no MPI
+
+SHELL = /bin/sh
+
+# ---------------------------------------------------------------------
+# compiler/linker settings
+# specify flags and libraries needed for your compiler
+
+CC =		g++
+CCFLAGS =	-O3 -march=native -mcpu=native
+SHFLAGS =	-fPIC
+DEPFLAGS =	-M
+
+LINK =		g++
+LINKFLAGS =	-O
+LIB = 
+SIZE =		size
+
+ARCHIVE =	ar
+ARFLAGS =	-rc
+SHLIBFLAGS =	-shared
+
+# ---------------------------------------------------------------------
+# LAMMPS-specific settings, all OPTIONAL
+# specify settings for LAMMPS features you will use
+# if you change any -D setting, do full re-compile after "make clean"
+
+# LAMMPS ifdef settings
+# see possible settings in Section 2.2 (step 4) of manual
+
+LMP_INC =	-DLAMMPS_GZIP
+
+# MPI library
+# see discussion in Section 2.2 (step 5) of manual
+# MPI wrapper compiler/linker can provide this info
+# can point to dummy MPI library in src/STUBS as in Makefile.serial
+# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
+# INC = path for mpi.h, MPI compiler settings
+# PATH = path for MPI library
+# LIB = name of MPI library
+
+MPI_INC =       -I../STUBS 
+MPI_PATH =      -L../STUBS
+MPI_LIB =	-lmpi_stubs
+
+# FFT library
+# see discussion in Section 2.2 (step 6) of manaul
+# can be left blank to use provided KISS FFT library
+# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
+# PATH = path for FFT library
+# LIB = name of FFT library
+
+FFT_INC = -DFFT_FFTW
+FFT_PATH = -L$(ARMPL_LIBRARIES)
+FFT_LIB =  -larmpl_lp64
+
+# JPEG and/or PNG library
+# see discussion in Section 2.2 (step 7) of manual
+# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC
+# INC = path(s) for jpeglib.h and/or png.h
+# PATH = path(s) for JPEG library and/or PNG library
+# LIB = name(s) of JPEG library and/or PNG library
+
+JPG_INC =       
+JPG_PATH = 	
+JPG_LIB =	
+
+# ---------------------------------------------------------------------
+# build rules and dependencies
+# do not edit this section
+
+include	Makefile.package.settings
+include	Makefile.package
+
+EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC)
+EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH)
+EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB)
+EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
+EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
+
+# Path to src files
+
+vpath %.cpp ..
+vpath %.h ..
+
+# Link target
+
+$(EXE):	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
+	$(SIZE) $(EXE)
+
+# Library targets
+
+lib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
+shlib:	$(OBJ) $(EXTRA_LINK_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
+        $(OBJ) $(EXTRA_LIB) $(LIB)
+
+# Compilation rules
+
+%.o:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+%.d:%.cpp $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
+
+%.o:%.cu $(EXTRA_CPP_DEPENDS)
+	$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
+
+# Individual dependencies
+
+depend : fastdep.exe $(SRC)
+	@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
+
+fastdep.exe: ../DEPEND/fastdep.c
+	cc -O -o $@ $<
+
+sinclude .depend
diff --git a/src/USER-INTEL/TEST/in.intel.water b/src/USER-INTEL/TEST/in.intel.water
index 0643def19e..8bf91f487e 100644
--- a/src/USER-INTEL/TEST/in.intel.water
+++ b/src/USER-INTEL/TEST/in.intel.water
@@ -1,47 +1,47 @@
-# Coarse-grain water simulation using Stillinger-Weber
-
-variable        N index on      # Newton Setting
-variable        w index 10      # Warmup Timesteps
-variable        t index 2600	# Main Run Timesteps
-variable        m index 1       # Main Run Timestep Multiplier
-variable        n index 0       # Use NUMA Mapping for Multi-Node
-variable        p index 0       # Use Power Measurement
-
-variable	x index 4
-variable	y index 2
-variable	z index 2
-variable        rr equal floor($t*$m)
-
-newton          $N
-if "$n > 0"     then "processors * * * grid numa"
-
-units		real
-atom_style	atomic
-
-read_data	mW_32k_cube.data
-reset_timestep	0
-replicate	$x $y $z
-
-pair_style	sw
-pair_coeff	* * mW.sw mW
-
-mass		1 18.015 #g/mol
-group		mW type 1
-
-neighbor	2 bin #Angstroms
-neigh_modify	every 1 delay 4
-
-fix		1 all nvt temp 300.0 300.0 1000.0
-
-velocity	all zero linear
-
-timestep	10 #femtoseconds
-
-thermo_modify	norm yes
-
-thermo		1000
-
-if "$p > 0"     then "run_style verlet/power"
-
-if "$w > 0"     then "run $w"
-run		${rr}
+# Coarse-grain water simulation using Stillinger-Weber
+
+variable        N index on      # Newton Setting
+variable        w index 10      # Warmup Timesteps
+variable        t index 2600	# Main Run Timesteps
+variable        m index 1       # Main Run Timestep Multiplier
+variable        n index 0       # Use NUMA Mapping for Multi-Node
+variable        p index 0       # Use Power Measurement
+
+variable	x index 4
+variable	y index 2
+variable	z index 2
+variable        rr equal floor($t*$m)
+
+newton          $N
+if "$n > 0"     then "processors * * * grid numa"
+
+units		real
+atom_style	atomic
+
+read_data	mW_32k_cube.data
+reset_timestep	0
+replicate	$x $y $z
+
+pair_style	sw
+pair_coeff	* * mW.sw mW
+
+mass		1 18.015 #g/mol
+group		mW type 1
+
+neighbor	2 bin #Angstroms
+neigh_modify	every 1 delay 4
+
+fix		1 all nvt temp 300.0 300.0 1000.0
+
+velocity	all zero linear
+
+timestep	10 #femtoseconds
+
+thermo_modify	norm yes
+
+thermo		1000
+
+if "$p > 0"     then "run_style verlet/power"
+
+if "$w > 0"     then "run $w"
+run		${rr}
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.h b/src/USER-MISC/pair_kolmogorov_crespi_z.h
index caa5dac868..1a90fdfa0b 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_z.h
+++ b/src/USER-MISC/pair_kolmogorov_crespi_z.h
@@ -1,83 +1,83 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef PAIR_CLASS
-
-PairStyle(kolmogorov/crespi/z,PairKolmogorovCrespiZ)
-
-#else
-
-#ifndef LMP_PAIR_KolmogorovCrespiZ_H
-#define LMP_PAIR_KolmogorovCrespiZ_H
-
-#include "pair.h"
-
-namespace LAMMPS_NS {
-
-class PairKolmogorovCrespiZ : public Pair {
- public:
-  PairKolmogorovCrespiZ(class LAMMPS *);
-  virtual ~PairKolmogorovCrespiZ();
-
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-
- protected:
-  int me;
-
-  struct Param {
-    double z0,C0,C2,C4,C,delta,lambda,A,S;
-    double delta2inv,z06;
-    int ielement,jelement;
-  };
-  Param *params;       // parameter set for I-J interactions
-  char **elements;     // names of unique elements
-  int **elem2param;    // mapping from element pairs to parameters
-  int *map;            // mapping from atom types to elements
-  int nelements;       // # of unique elements
-  int nparams;         // # of stored parameter sets
-  int maxparam;        // max # of parameter sets
-
-  double cut_global;
-  double **cut;
-  double **offset;
-  void read_file( char * );
-  void allocate();
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-E: Illegal ... command
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: All pair coeffs are not set
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
-
-*/
-
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(kolmogorov/crespi/z,PairKolmogorovCrespiZ)
+
+#else
+
+#ifndef LMP_PAIR_KolmogorovCrespiZ_H
+#define LMP_PAIR_KolmogorovCrespiZ_H
+
+#include "pair.h"
+
+namespace LAMMPS_NS {
+
+class PairKolmogorovCrespiZ : public Pair {
+ public:
+  PairKolmogorovCrespiZ(class LAMMPS *);
+  virtual ~PairKolmogorovCrespiZ();
+
+  virtual void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+
+ protected:
+  int me;
+
+  struct Param {
+    double z0,C0,C2,C4,C,delta,lambda,A,S;
+    double delta2inv,z06;
+    int ielement,jelement;
+  };
+  Param *params;       // parameter set for I-J interactions
+  char **elements;     // names of unique elements
+  int **elem2param;    // mapping from element pairs to parameters
+  int *map;            // mapping from atom types to elements
+  int nelements;       // # of unique elements
+  int nparams;         // # of stored parameter sets
+  int maxparam;        // max # of parameter sets
+
+  double cut_global;
+  double **cut;
+  double **offset;
+  void read_file( char * );
+  void allocate();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: All pair coeffs are not set
+
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
+
+*/
+
diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp
index 891239016b..e6f174e811 100644
--- a/src/USER-MISC/pair_lj_mdf.cpp
+++ b/src/USER-MISC/pair_lj_mdf.cpp
@@ -1,395 +1,395 @@
-
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Paolo Raiteri (Curtin University)
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
-#include "pair_lj_mdf.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-
-/* ---------------------------------------------------------------------- */
-
-PairLJMDF::PairLJMDF(LAMMPS *lmp) : Pair(lmp) {}
-
-/* ---------------------------------------------------------------------- */
-
-PairLJMDF::~PairLJMDF()
-{
-  if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(cutsq);
-
-    memory->destroy(cut);
-    memory->destroy(cut_inner);
-    memory->destroy(cut_inner_sq);
-    memory->destroy(epsilon);
-    memory->destroy(sigma);
-    memory->destroy(lj1);
-    memory->destroy(lj2);
-    memory->destroy(lj3);
-    memory->destroy(lj4);
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairLJMDF::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
-  double rsq,r2inv,r6inv,forcelj,factor_lj;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-
-  evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  int *type = atom->type;
-  int nlocal = atom->nlocal;
-  double *special_lj = force->special_lj;
-  int newton_pair = force->newton_pair;
-  double rr, d, dd, tt, dt, dp, philj;
-
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // loop over neighbors of my atoms
-  
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      factor_lj = special_lj[sbmask(j)];
-      j &= NEIGHMASK;
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      jtype = type[j];
-
-      if (rsq < cutsq[itype][jtype]) {
-        r2inv = 1.0/rsq;
-        r6inv = r2inv*r2inv*r2inv;
-        forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
-
-        if (rsq > cut_inner_sq[itype][jtype]) {
-          philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);  
-
-          rr = sqrt(rsq);
-          dp = (cut[itype][jtype] - cut_inner[itype][jtype]);
-          d = (rr-cut_inner[itype][jtype]) / dp;
-          dd = 1.-d;
-// taperig function - mdf style
-          tt = (1. + 3.*d + 6.*d*d)*dd*dd*dd;
-// minus the derivative of the tapering function
-          dt = 30.* d*d * dd*dd * rr / dp;
-
-          forcelj = forcelj*tt + philj*dt;
-        } else {
-          tt = 1;
-        }
-        fpair = factor_lj*forcelj*r2inv;
-
-        f[i][0] += delx*fpair;
-        f[i][1] += dely*fpair;
-        f[i][2] += delz*fpair;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= delx*fpair;
-          f[j][1] -= dely*fpair;
-          f[j][2] -= delz*fpair;
-        }
-
-        if (eflag) {
-          evdwl = r6inv * (lj3[itype][jtype]*r6inv - lj4[itype][jtype]);
-          if (rsq > cut_inner_sq[itype][jtype]) evdwl *= tt;
-
-          evdwl *= factor_lj;
-
-          if (evflag) ev_tally(i,j,nlocal,newton_pair,
-                             evdwl,0.0,fpair,delx,dely,delz);
-        }
-      }
-    }
-  }
-
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairLJMDF::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-
-  memory->create(cut,n+1,n+1,"pair:cut");
-  memory->create(cut_inner,n+1,n+1,"pair:cut_inner");
-  memory->create(cut_inner_sq,n+1,n+1,"pair:cut_inner_sq");
-  memory->create(epsilon,n+1,n+1,"pair:epsilon");
-  memory->create(sigma,n+1,n+1,"pair:sigma");
-  memory->create(lj1,n+1,n+1,"pair:lj1");
-  memory->create(lj2,n+1,n+1,"pair:lj2");
-  memory->create(lj3,n+1,n+1,"pair:lj3");
-  memory->create(lj4,n+1,n+1,"pair:lj4");
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairLJMDF::settings(int narg, char **arg)
-{
-  if (narg != 2) error->all(FLERR,"Illegal pair_style command");
-
-  cut_inner_global = force->numeric(FLERR,arg[0]);
-  cut_global = force->numeric(FLERR,arg[1]);
-
-  if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
-    error->all(FLERR,"Illegal pair_style command");
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i; j <= atom->ntypes; j++)
-        if (setflag[i][j]) {
-          cut_inner[i][j] = cut_inner_global;
-          cut[i][j] = cut_global;
-        }
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairLJMDF::coeff(int narg, char **arg)
-{
-  if (narg != 4 && narg != 6)
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  double epsilon_one = force->numeric(FLERR,arg[2]);
-  double sigma_one = force->numeric(FLERR,arg[3]);
-
-  double cut_inner_one = cut_inner_global;
-  double cut_one = cut_global;
-  if (narg == 6) {
-    cut_inner_one = force->numeric(FLERR,arg[4]);
-    cut_one = force->numeric(FLERR,arg[5]);
-  }
-  if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
-    error->all(FLERR,"Illegal pair_style command");
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      epsilon[i][j] = epsilon_one;
-      sigma[i][j] = sigma_one;
-      cut_inner[i][j] = cut_inner_one;
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairLJMDF::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) {
-    epsilon[i][j] = mix_energy(epsilon[i][i],epsilon[j][j],
-                               sigma[i][i],sigma[j][j]);
-    sigma[i][j] = mix_distance(sigma[i][i],sigma[j][j]);
-    cut_inner[i][j] = mix_distance(cut_inner[i][i],cut_inner[j][j]);
-    cut[i][j] = mix_distance(cut[i][i],cut[j][j]);
-  }
-
-  cut_inner_sq[i][j] = cut_inner[i][j]*cut_inner[i][j];
-  lj1[i][j] = 48.0 * epsilon[i][j] * pow(sigma[i][j],12.0);
-  lj2[i][j] = 24.0 * epsilon[i][j] * pow(sigma[i][j],6.0);
-  lj3[i][j] = 4.0 * epsilon[i][j] * pow(sigma[i][j],12.0);
-  lj4[i][j] = 4.0 * epsilon[i][j] * pow(sigma[i][j],6.0);
-
-  cut[j][i] = cut[i][j];  // BUG FIX
-  cut_inner[j][i] = cut_inner[i][j];
-  cut_inner_sq[j][i] = cut_inner_sq[i][j];
-  lj1[j][i] = lj1[i][j];
-  lj2[j][i] = lj2[i][j];
-  lj3[j][i] = lj3[i][j];
-  lj4[j][i] = lj4[i][j];
-
-  return cut[i][j];
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairLJMDF::write_restart(FILE *fp)
-{
-  write_restart_settings(fp);
-
-  int i,j;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      fwrite(&setflag[i][j],sizeof(int),1,fp);
-      if (setflag[i][j]) {
-        fwrite(&epsilon[i][j],sizeof(double),1,fp);
-        fwrite(&sigma[i][j],sizeof(double),1,fp);
-        fwrite(&cut_inner[i][j],sizeof(double),1,fp);
-        fwrite(&cut[i][j],sizeof(double),1,fp);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairLJMDF::read_restart(FILE *fp)
-{
-  read_restart_settings(fp);
-  allocate();
-
-  int i,j;
-  int me = comm->me;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
-      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
-      if (setflag[i][j]) {
-        if (me == 0) {
-          fread(&epsilon[i][j],sizeof(double),1,fp);
-          fread(&sigma[i][j],sizeof(double),1,fp);
-          fread(&cut_inner[i][j],sizeof(double),1,fp);
-          fread(&cut[i][j],sizeof(double),1,fp);
-        }
-        MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&cut_inner[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairLJMDF::write_restart_settings(FILE *fp)
-{
-  fwrite(&mix_flag,sizeof(int),1,fp);
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairLJMDF::read_restart_settings(FILE *fp)
-{
-  int me = comm->me;
-  if (me == 0) {
-    fread(&mix_flag,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
-}
-
-/* ---------------------------------------------------------------------- */
-
-double PairLJMDF::single(int /*i*/, int /*j*/, int itype, int jtype,
-                             double rsq,
-                             double /*factor_coul*/, double factor_lj,
-                             double &fforce)
-{
-  double r2inv,r6inv,forcelj,philj;
-  double rr, dp, d, tt, dt, dd;
-
-  r2inv = 1.0/rsq;
-  r6inv = r2inv*r2inv*r2inv;
-
-  philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);
-  forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
-
-  if (rsq > cut_inner_sq[itype][jtype]) {
-
-    rr = sqrt(rsq);
-    dp = (cut[itype][jtype] - cut_inner[itype][jtype]);
-    d = (rr - cut_inner[itype][jtype]) / dp;
-    dd = 1-d;
-    tt = (1. + 3.*d + 6.*d*d)* dd*dd*dd;
-    dt = 30.* d*d * dd*dd * rr / dp;
-
-    forcelj = forcelj*tt + philj*dt;
-    philj *= tt;
-  }
-
-  fforce = factor_lj*forcelj*r2inv;
-
-  return factor_lj*philj;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void *PairLJMDF::extract(const char *str, int &dim)
-{
-  dim = 2;
-  if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
-  if (strcmp(str,"sigma") == 0) return (void *) sigma;
-  return NULL;
-}
+
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Paolo Raiteri (Curtin University)
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include "pair_lj_mdf.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+PairLJMDF::PairLJMDF(LAMMPS *lmp) : Pair(lmp) {}
+
+/* ---------------------------------------------------------------------- */
+
+PairLJMDF::~PairLJMDF()
+{
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+
+    memory->destroy(cut);
+    memory->destroy(cut_inner);
+    memory->destroy(cut_inner_sq);
+    memory->destroy(epsilon);
+    memory->destroy(sigma);
+    memory->destroy(lj1);
+    memory->destroy(lj2);
+    memory->destroy(lj3);
+    memory->destroy(lj4);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairLJMDF::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
+  double rsq,r2inv,r6inv,forcelj,factor_lj;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  evdwl = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  int newton_pair = force->newton_pair;
+  double rr, d, dd, tt, dt, dp, philj;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // loop over neighbors of my atoms
+  
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      jtype = type[j];
+
+      if (rsq < cutsq[itype][jtype]) {
+        r2inv = 1.0/rsq;
+        r6inv = r2inv*r2inv*r2inv;
+        forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
+
+        if (rsq > cut_inner_sq[itype][jtype]) {
+          philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);  
+
+          rr = sqrt(rsq);
+          dp = (cut[itype][jtype] - cut_inner[itype][jtype]);
+          d = (rr-cut_inner[itype][jtype]) / dp;
+          dd = 1.-d;
+// taperig function - mdf style
+          tt = (1. + 3.*d + 6.*d*d)*dd*dd*dd;
+// minus the derivative of the tapering function
+          dt = 30.* d*d * dd*dd * rr / dp;
+
+          forcelj = forcelj*tt + philj*dt;
+        } else {
+          tt = 1;
+        }
+        fpair = factor_lj*forcelj*r2inv;
+
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+
+        if (eflag) {
+          evdwl = r6inv * (lj3[itype][jtype]*r6inv - lj4[itype][jtype]);
+          if (rsq > cut_inner_sq[itype][jtype]) evdwl *= tt;
+
+          evdwl *= factor_lj;
+
+          if (evflag) ev_tally(i,j,nlocal,newton_pair,
+                             evdwl,0.0,fpair,delx,dely,delz);
+        }
+      }
+    }
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairLJMDF::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+  memory->create(cut,n+1,n+1,"pair:cut");
+  memory->create(cut_inner,n+1,n+1,"pair:cut_inner");
+  memory->create(cut_inner_sq,n+1,n+1,"pair:cut_inner_sq");
+  memory->create(epsilon,n+1,n+1,"pair:epsilon");
+  memory->create(sigma,n+1,n+1,"pair:sigma");
+  memory->create(lj1,n+1,n+1,"pair:lj1");
+  memory->create(lj2,n+1,n+1,"pair:lj2");
+  memory->create(lj3,n+1,n+1,"pair:lj3");
+  memory->create(lj4,n+1,n+1,"pair:lj4");
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairLJMDF::settings(int narg, char **arg)
+{
+  if (narg != 2) error->all(FLERR,"Illegal pair_style command");
+
+  cut_inner_global = force->numeric(FLERR,arg[0]);
+  cut_global = force->numeric(FLERR,arg[1]);
+
+  if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
+    error->all(FLERR,"Illegal pair_style command");
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i; j <= atom->ntypes; j++)
+        if (setflag[i][j]) {
+          cut_inner[i][j] = cut_inner_global;
+          cut[i][j] = cut_global;
+        }
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairLJMDF::coeff(int narg, char **arg)
+{
+  if (narg != 4 && narg != 6)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  double epsilon_one = force->numeric(FLERR,arg[2]);
+  double sigma_one = force->numeric(FLERR,arg[3]);
+
+  double cut_inner_one = cut_inner_global;
+  double cut_one = cut_global;
+  if (narg == 6) {
+    cut_inner_one = force->numeric(FLERR,arg[4]);
+    cut_one = force->numeric(FLERR,arg[5]);
+  }
+  if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
+    error->all(FLERR,"Illegal pair_style command");
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      epsilon[i][j] = epsilon_one;
+      sigma[i][j] = sigma_one;
+      cut_inner[i][j] = cut_inner_one;
+      cut[i][j] = cut_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairLJMDF::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) {
+    epsilon[i][j] = mix_energy(epsilon[i][i],epsilon[j][j],
+                               sigma[i][i],sigma[j][j]);
+    sigma[i][j] = mix_distance(sigma[i][i],sigma[j][j]);
+    cut_inner[i][j] = mix_distance(cut_inner[i][i],cut_inner[j][j]);
+    cut[i][j] = mix_distance(cut[i][i],cut[j][j]);
+  }
+
+  cut_inner_sq[i][j] = cut_inner[i][j]*cut_inner[i][j];
+  lj1[i][j] = 48.0 * epsilon[i][j] * pow(sigma[i][j],12.0);
+  lj2[i][j] = 24.0 * epsilon[i][j] * pow(sigma[i][j],6.0);
+  lj3[i][j] = 4.0 * epsilon[i][j] * pow(sigma[i][j],12.0);
+  lj4[i][j] = 4.0 * epsilon[i][j] * pow(sigma[i][j],6.0);
+
+  cut[j][i] = cut[i][j];  // BUG FIX
+  cut_inner[j][i] = cut_inner[i][j];
+  cut_inner_sq[j][i] = cut_inner_sq[i][j];
+  lj1[j][i] = lj1[i][j];
+  lj2[j][i] = lj2[i][j];
+  lj3[j][i] = lj3[i][j];
+  lj4[j][i] = lj4[i][j];
+
+  return cut[i][j];
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairLJMDF::write_restart(FILE *fp)
+{
+  write_restart_settings(fp);
+
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+        fwrite(&epsilon[i][j],sizeof(double),1,fp);
+        fwrite(&sigma[i][j],sizeof(double),1,fp);
+        fwrite(&cut_inner[i][j],sizeof(double),1,fp);
+        fwrite(&cut[i][j],sizeof(double),1,fp);
+      }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairLJMDF::read_restart(FILE *fp)
+{
+  read_restart_settings(fp);
+  allocate();
+
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+        if (me == 0) {
+          fread(&epsilon[i][j],sizeof(double),1,fp);
+          fread(&sigma[i][j],sizeof(double),1,fp);
+          fread(&cut_inner[i][j],sizeof(double),1,fp);
+          fread(&cut[i][j],sizeof(double),1,fp);
+        }
+        MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cut_inner[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world);
+      }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairLJMDF::write_restart_settings(FILE *fp)
+{
+  fwrite(&mix_flag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairLJMDF::read_restart_settings(FILE *fp)
+{
+  int me = comm->me;
+  if (me == 0) {
+    fread(&mix_flag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairLJMDF::single(int /*i*/, int /*j*/, int itype, int jtype,
+                             double rsq,
+                             double /*factor_coul*/, double factor_lj,
+                             double &fforce)
+{
+  double r2inv,r6inv,forcelj,philj;
+  double rr, dp, d, tt, dt, dd;
+
+  r2inv = 1.0/rsq;
+  r6inv = r2inv*r2inv*r2inv;
+
+  philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);
+  forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
+
+  if (rsq > cut_inner_sq[itype][jtype]) {
+
+    rr = sqrt(rsq);
+    dp = (cut[itype][jtype] - cut_inner[itype][jtype]);
+    d = (rr - cut_inner[itype][jtype]) / dp;
+    dd = 1-d;
+    tt = (1. + 3.*d + 6.*d*d)* dd*dd*dd;
+    dt = 30.* d*d * dd*dd * rr / dp;
+
+    forcelj = forcelj*tt + philj*dt;
+    philj *= tt;
+  }
+
+  fforce = factor_lj*forcelj*r2inv;
+
+  return factor_lj*philj;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void *PairLJMDF::extract(const char *str, int &dim)
+{
+  dim = 2;
+  if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
+  if (strcmp(str,"sigma") == 0) return (void *) sigma;
+  return NULL;
+}
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
index 46af95470c..dd39002fe4 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
@@ -1,590 +1,590 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Hendrik Heenen (Technical University of Munich)
-                        and Rochus Schmid (Ruhr-Universitaet Bochum)
-   References: Bureekaew and Schmid, Phys. Status Solidi B 250, 1128 (2013)
-               Fennell and Gezelter, JCP 124, 234104 (2006)
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
-#include "pair_buck6d_coul_gauss_dsf.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
-#include "math_const.h"
-#include "error.h"
-#include "math_special.h"
-
-using namespace LAMMPS_NS;
-using namespace MathConst;
-
-/* ---------------------------------------------------------------------- */
-
-PairBuck6dCoulGaussDSF::PairBuck6dCoulGaussDSF(LAMMPS *lmp) : Pair(lmp)
-{
-  single_enable = 1;
-  writedata = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairBuck6dCoulGaussDSF::~PairBuck6dCoulGaussDSF()
-{
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(alpha_ij);
-      memory->destroy(f_shift_ij);
-      memory->destroy(e_shift_ij);
-      memory->destroy(buck6d1);
-      memory->destroy(buck6d2);
-      memory->destroy(buck6d3);
-      memory->destroy(buck6d4);
-      memory->destroy(c0);
-      memory->destroy(c1);
-      memory->destroy(c2);
-      memory->destroy(c3);
-      memory->destroy(c4);
-      memory->destroy(c5);
-      memory->destroy(rsmooth_sq);
-      memory->destroy(offset);
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
-  double r,rsq,r2inv,r6inv,r14inv,rexp,forcecoul,forcebuck6d,factor_coul,factor_lj;
-  double term1,term2,term3,term4,term5;
-  double rcu,rqu,sme,smf,ebuck6d;
-  double prefactor,erfcc,erfcd,arg;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-
-  evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  double *q = atom->q;
-  int *type = atom->type;
-  int nlocal = atom->nlocal;
-  double *special_lj = force->special_lj;
-  double *special_coul = force->special_coul;
-  int newton_pair = force->newton_pair;
-  double qqrd2e = force->qqrd2e;
-
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // loop over neighbors of my atoms
-
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    qtmp = q[i];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      factor_lj = special_lj[sbmask(j)];
-      factor_coul = special_coul[sbmask(j)];
-      j &= NEIGHMASK;
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      jtype = type[j];
-
-      if (rsq < cutsq[itype][jtype]) {
-        r2inv = 1.0/rsq;
-        r = sqrt(rsq);
-
-        if (rsq < cut_ljsq[itype][jtype]) {
-          r6inv = r2inv*r2inv*r2inv;
-          r14inv = r6inv*r6inv*r2inv;
-          rexp = exp(-r*buck6d2[itype][jtype]);
-          term1 = buck6d3[itype][jtype]*r6inv;
-          term2 = buck6d4[itype][jtype]*r14inv;
-          term3 = term2*term2;
-          term4 = 1.0/(1.0 + term2);
-          term5 = 1.0/(1.0 + 2.0*term2 + term3);
-          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
-          forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
-          ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
-
-          // smoothing term
-          if (rsq > rsmooth_sq[itype][jtype]) {
-            rcu = r*rsq;
-            rqu = rsq*rsq;
-            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
-                  c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
-                  3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-            // forcebuck6d is -dE/dr*r 
-            forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
-            ebuck6d *= sme;
-          }
-        } else forcebuck6d = 0.0;
-
-        if (rsq < cut_coulsq) {
-          prefactor = qqrd2e*qtmp*q[j]/r;
-
-        //below: parametrization for erfcc = erf(alpha_ij[itype][jtype]*r);
-          arg = alpha_ij[itype][jtype]*r;
-          erfcd = MathSpecial::expmsq(arg);
-          erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
-          
-          forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
-                                                r*f_shift_ij[itype][jtype]) * r;
-        
-          if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor;
-        } else forcecoul = 0.0;
-
-        fpair = (forcecoul + factor_lj*forcebuck6d) * r2inv;
-        f[i][0] += delx*fpair;
-        f[i][1] += dely*fpair;
-        f[i][2] += delz*fpair;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= delx*fpair;
-          f[j][1] -= dely*fpair;
-          f[j][2] -= delz*fpair;
-        }
-
-        if (eflag) {
-          if (rsq < cut_ljsq[itype][jtype]) {
-            evdwl = ebuck6d - offset[itype][jtype];
-            evdwl *= factor_lj;
-          } else evdwl = 0.0;
-
-          if (rsq < cut_coulsq) {
-            ecoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
-                                 rsq*f_shift_ij[itype][jtype]);
-            if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor;
-          } else ecoul = 0.0;
-        }
-
-        if (evflag) ev_tally(i,j,nlocal,newton_pair,
-                             evdwl,ecoul,fpair,delx,dely,delz);
-      }
-    }
-  }
-
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-
-  memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
-  memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
-  memory->create(alpha_ij,n+1,n+1,"pair:alpha_ij");
-  memory->create(f_shift_ij,n+1,n+1,"pair:f_shift_ij");
-  memory->create(e_shift_ij,n+1,n+1,"pair:e_shift_ij");
-  memory->create(buck6d1,n+1,n+1,"pair:buck6d1");
-  memory->create(buck6d2,n+1,n+1,"pair:buck6d2");
-  memory->create(buck6d3,n+1,n+1,"pair:buck6d3");
-  memory->create(buck6d4,n+1,n+1,"pair:buck6d4");
-  memory->create(c0,n+1,n+1,"pair:c0");
-  memory->create(c1,n+1,n+1,"pair:c1");
-  memory->create(c2,n+1,n+1,"pair:c2");
-  memory->create(c3,n+1,n+1,"pair:c3");
-  memory->create(c4,n+1,n+1,"pair:c4");
-  memory->create(c5,n+1,n+1,"pair:c5");
-  memory->create(rsmooth_sq,n+1,n+1,"pair:rsmooth_sq");
-  memory->create(offset,n+1,n+1,"pair:offset");
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::settings(int narg, char **arg)
-{
-  if (narg < 2 || narg > 3) error->all(FLERR,"Illegal pair_style command");
-
-  vdwl_smooth = force->numeric(FLERR,arg[0]);
-
-  cut_lj_global = force->numeric(FLERR,arg[1]);
-  if (narg == 2) cut_coul = cut_lj_global;
-  else cut_coul = force->numeric(FLERR,arg[2]);
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i+1; j <= atom->ntypes; j++)
-        if (setflag[i][j])
-          cut_lj[i][j] = cut_lj_global;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::coeff(int narg, char **arg)
-{
-  if (narg < 7 || narg > 8)
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  double buck6d1_one = force->numeric(FLERR,arg[2]);
-  double buck6d2_one = force->numeric(FLERR,arg[3]);
-  double buck6d3_one = force->numeric(FLERR,arg[4]);
-  double buck6d4_one = force->numeric(FLERR,arg[5]);
-  double alpha_one = force->numeric(FLERR,arg[6]);
-
-  double cut_lj_one = cut_lj_global;
-  if (narg == 8) cut_lj_one = force->numeric(FLERR,arg[7]);
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      buck6d1[i][j] = buck6d1_one;
-      buck6d2[i][j] = buck6d2_one;
-      buck6d3[i][j] = buck6d3_one;
-      buck6d4[i][j] = buck6d4_one;
-      alpha_ij[i][j] = alpha_one;
-      cut_lj[i][j] = cut_lj_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-/* ----------------------------------------------------------------------
-   init specific to this pair style
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::init_style()
-{
-  if (!atom->q_flag)
-    error->all(FLERR,"Pair style buck6d/coul/dsf requires atom attribute q");
-
-  neighbor->request(this,instance_me);
-
-  cut_coulsq = cut_coul * cut_coul;  
-}
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairBuck6dCoulGaussDSF::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
-
-  double cut = MAX(cut_lj[i][j],cut_coul);
-  cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
-  
-  //calculation of smoothing coefficients c0-c5
-  c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
-  rsmooth_sq[i][j] = cut_ljsq[i][j];
-  if (vdwl_smooth < 1.0) {
-    double rsm = vdwl_smooth * cut_lj[i][j];
-    double rsm_sq = rsm * rsm;
-    double denom = pow((cut_lj[i][j]-rsm),5.0);
-    c0[i][j] = cut_lj[i][j]*cut_ljsq[i][j]*(cut_ljsq[i][j]-
-               5.0*cut_lj[i][j]*rsm+10.0*rsm_sq)/denom;
-    c1[i][j] = -30.0*(cut_ljsq[i][j]*rsm_sq)/denom;
-    c2[i][j] = 30.0*(cut_ljsq[i][j]*rsm + cut_lj[i][j]*rsm_sq)/denom;
-    c3[i][j] = -10.0*(cut_ljsq[i][j] + 4.0*cut_lj[i][j]*rsm + rsm_sq)/denom;
-    c4[i][j] = 15.0*(cut_lj[i][j]+rsm)/denom;
-    c5[i][j] = -6.0/denom;
-    rsmooth_sq[i][j] = rsm_sq;
-  }
-  
-  // if offset_flag, shift is only invoked if there is not already smoothing
-  if (offset_flag && vdwl_smooth >= 1.0) {
-    double term1 = buck6d3[i][j]/pow(cut_lj[i][j],6.0);
-    double term4 = 1.0/(1.0 + (buck6d4[i][j]/pow(cut_lj[i][j],14.0)));
-    double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
-    offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
-  } else offset[i][j] = 0.0;
-  
-  double erfcd_c = exp(-alpha_ij[i][j]*alpha_ij[i][j]*cut_coul*cut_coul);
-  double erfcc_c = erf(alpha_ij[i][j]*cut_coul);
-  f_shift_ij[i][j] = -erfcc_c/cut_coulsq + 2.0/MY_PIS*alpha_ij[i][j]*erfcd_c/cut_coul;
-  e_shift_ij[i][j] = erfcc_c/cut_coul - f_shift_ij[i][j]*cut_coul;
-  
-  cut_ljsq[j][i] = cut_ljsq[i][j];
-  alpha_ij[j][i] = alpha_ij[i][j];
-  f_shift_ij[j][i] = f_shift_ij[i][j];
-  e_shift_ij[j][i] = e_shift_ij[i][j];
-  buck6d1[j][i] = buck6d1[i][j];
-  buck6d2[j][i] = buck6d2[i][j];
-  buck6d3[j][i] = buck6d3[i][j];
-  buck6d4[j][i] = buck6d4[i][j];
-  c0[j][i] = c0[i][j];
-  c1[j][i] = c1[i][j];
-  c2[j][i] = c2[i][j];
-  c3[j][i] = c3[i][j];
-  c4[j][i] = c4[i][j];
-  c5[j][i] = c5[i][j];
-  rsmooth_sq[j][i] = rsmooth_sq[i][j];
-  offset[j][i] = offset[i][j];
-
-  return cut;
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::write_restart(FILE *fp)
-{
-  write_restart_settings(fp);
-
-  int i,j;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      fwrite(&setflag[i][j],sizeof(int),1,fp);
-      if (setflag[i][j]) {
-        fwrite(&buck6d1[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d2[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d3[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d4[i][j],sizeof(double),1,fp);
-        fwrite(&alpha_ij[i][j],sizeof(double),1,fp);
-        fwrite(&cut_lj[i][j],sizeof(double),1,fp);
-            }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::read_restart(FILE *fp)
-{
-  read_restart_settings(fp);
-  allocate();
-
-  int i,j;
-  int me = comm->me;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
-      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
-      if (setflag[i][j]) {
-        if (me == 0) {
-          fread(&buck6d1[i][j],sizeof(double),1,fp);
-          fread(&buck6d2[i][j],sizeof(double),1,fp);
-          fread(&buck6d3[i][j],sizeof(double),1,fp);
-          fread(&buck6d4[i][j],sizeof(double),1,fp);
-          fread(&alpha_ij[i][j],sizeof(double),1,fp);
-          fread(&cut_lj[i][j],sizeof(double),1,fp);
-        }
-        MPI_Bcast(&buck6d1[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d2[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d3[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d4[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&alpha_ij[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&cut_lj[i][j],1,MPI_DOUBLE,0,world);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::write_restart_settings(FILE *fp)
-{
-  fwrite(&vdwl_smooth,sizeof(double),1,fp);
-  fwrite(&cut_lj_global,sizeof(double),1,fp);
-  fwrite(&cut_coul,sizeof(double),1,fp);
-  fwrite(&offset_flag,sizeof(int),1,fp);
-  fwrite(&mix_flag,sizeof(int),1,fp);
-  fwrite(&tail_flag,sizeof(int),1,fp);
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::read_restart_settings(FILE *fp)
-{
-  if (comm->me == 0) {
-    fread(&vdwl_smooth,sizeof(double),1,fp);
-    fread(&cut_lj_global,sizeof(double),1,fp);
-    fread(&cut_coul,sizeof(double),1,fp);
-    fread(&offset_flag,sizeof(int),1,fp);
-    fread(&mix_flag,sizeof(int),1,fp);
-    fread(&tail_flag,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&vdwl_smooth,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
-  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
-  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to data file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::write_data(FILE *fp)
-{
-  for (int i = 1; i <= atom->ntypes; i++)
-    fprintf(fp,"%d %g %g %g %g %g\n",i,
-            buck6d1[i][i],buck6d2[i][i],buck6d3[i][i],
-            buck6d4[i][i],alpha_ij[i][i]);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes all pairs to data file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussDSF::write_data_all(FILE *fp)
-{
-  for (int i = 1; i <= atom->ntypes; i++)
-    for (int j = i; j <= atom->ntypes; j++)
-      fprintf(fp,"%d %d %g %g %g %g %g %g\n",i,j,
-              buck6d1[i][j],buck6d2[i][j],buck6d3[i][j],
-              buck6d4[i][j],alpha_ij[i][j],cut_lj[i][j]);
-}
-/* ---------------------------------------------------------------------- */
-
-double PairBuck6dCoulGaussDSF::single(int i, int j, int itype, int jtype, double rsq,
-                                double factor_coul, double factor_lj,
-                                double &fforce)
-{
-  double r,r2inv,r6inv,r14inv,rexp,term1,term2,term3,term4,term5;
-  double rcu,rqu,sme,smf;
-  double erfcc,erfcd,prefactor,arg;
-  double forcecoul,forcebuck6d,ebuck6d,phicoul,phibuck6d;
-
-  r2inv = 1.0/rsq;
-  r = sqrt(rsq);
-  if (rsq < cut_ljsq[itype][jtype]) {
-    r6inv = r2inv*r2inv*r2inv;
-    r14inv = r6inv*r6inv*r2inv;
-    rexp = exp(-r*buck6d2[itype][jtype]);
-    term1 = buck6d3[itype][jtype]*r6inv;
-    term2 = buck6d4[itype][jtype]*r14inv;
-    term3 = term2*term2;
-    term4 = 1.0/(1.0 + term2);
-    term5 = 1.0/(1.0 + 2.0*term2 + term3);
-    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
-    forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
-    ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
-    // smoothing term
-    if (rsq > rsmooth_sq[itype][jtype]) {
-      rcu = r*rsq;
-      rqu = rsq*rsq;
-      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
-            c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
-            3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-      // forcebuck6d is -dE/dr*r 
-      forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
-      ebuck6d *= sme;
-    }
-  } else forcebuck6d = 0.0;
-
-  if (rsq < cut_coulsq) {
-    prefactor = factor_coul * force->qqrd2e * atom->q[i] * atom->q[j] / r;
-    arg = alpha_ij[itype][jtype]*r;
-    erfcd = MathSpecial::expmsq(arg);
-    erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
-    forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
-                                          r*f_shift_ij[itype][jtype]) * r;
-  } else forcecoul = 0.0;
-
-  fforce = (forcecoul + factor_lj*forcebuck6d) * r2inv;
-
-  double eng = 0.0;
-  if (rsq < cut_ljsq[itype][jtype]) {
-    phibuck6d = ebuck6d - offset[itype][jtype];
-    eng += factor_lj*phibuck6d;
-  }
-
-  if (rsq < cut_coulsq) {
-    phicoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
-                                 rsq*f_shift_ij[itype][jtype]);
-    eng += phicoul;
-  }
-
-  return eng;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void *PairBuck6dCoulGaussDSF::extract(const char *str, int &dim)
-{
-  dim = 2;
-  if (strcmp(str,"cut_ljsq") == 0) return (void *) cut_ljsq;
-  if (strcmp(str,"buck6d1") == 0) return (void *) buck6d1;
-  if (strcmp(str,"buck6d2") == 0) return (void *) buck6d2;
-  if (strcmp(str,"buck6d3") == 0) return (void *) buck6d3;
-  if (strcmp(str,"buck6d4") == 0) return (void *) buck6d4;
-  if (strcmp(str,"rsmooth_sq") == 0) return (void *) rsmooth_sq;
-  if (strcmp(str,"c0") == 0) return (void *) c0;
-  if (strcmp(str,"c1") == 0) return (void *) c1;
-  if (strcmp(str,"c2") == 0) return (void *) c2;
-  if (strcmp(str,"c3") == 0) return (void *) c3;
-  if (strcmp(str,"c4") == 0) return (void *) c4;
-  if (strcmp(str,"c5") == 0) return (void *) c5;
-  if (strcmp(str,"offset") == 0) return (void *) offset;
-
-  if (strcmp(str,"cut_coul") == 0) {
-    dim = 0;
-    return (void *) &cut_coul;
-  }
-  return NULL;
-}
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Hendrik Heenen (Technical University of Munich)
+                        and Rochus Schmid (Ruhr-Universitaet Bochum)
+   References: Bureekaew and Schmid, Phys. Status Solidi B 250, 1128 (2013)
+               Fennell and Gezelter, JCP 124, 234104 (2006)
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include "pair_buck6d_coul_gauss_dsf.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "memory.h"
+#include "math_const.h"
+#include "error.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+/* ---------------------------------------------------------------------- */
+
+PairBuck6dCoulGaussDSF::PairBuck6dCoulGaussDSF(LAMMPS *lmp) : Pair(lmp)
+{
+  single_enable = 1;
+  writedata = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairBuck6dCoulGaussDSF::~PairBuck6dCoulGaussDSF()
+{
+  if (!copymode) {
+    if (allocated) {
+      memory->destroy(setflag);
+      memory->destroy(cutsq);
+
+      memory->destroy(cut_lj);
+      memory->destroy(cut_ljsq);
+      memory->destroy(alpha_ij);
+      memory->destroy(f_shift_ij);
+      memory->destroy(e_shift_ij);
+      memory->destroy(buck6d1);
+      memory->destroy(buck6d2);
+      memory->destroy(buck6d3);
+      memory->destroy(buck6d4);
+      memory->destroy(c0);
+      memory->destroy(c1);
+      memory->destroy(c2);
+      memory->destroy(c3);
+      memory->destroy(c4);
+      memory->destroy(c5);
+      memory->destroy(rsmooth_sq);
+      memory->destroy(offset);
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
+  double r,rsq,r2inv,r6inv,r14inv,rexp,forcecoul,forcebuck6d,factor_coul,factor_lj;
+  double term1,term2,term3,term4,term5;
+  double rcu,rqu,sme,smf,ebuck6d;
+  double prefactor,erfcc,erfcd,arg;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  evdwl = ecoul = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  double *special_coul = force->special_coul;
+  int newton_pair = force->newton_pair;
+  double qqrd2e = force->qqrd2e;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    qtmp = q[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      factor_coul = special_coul[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      jtype = type[j];
+
+      if (rsq < cutsq[itype][jtype]) {
+        r2inv = 1.0/rsq;
+        r = sqrt(rsq);
+
+        if (rsq < cut_ljsq[itype][jtype]) {
+          r6inv = r2inv*r2inv*r2inv;
+          r14inv = r6inv*r6inv*r2inv;
+          rexp = exp(-r*buck6d2[itype][jtype]);
+          term1 = buck6d3[itype][jtype]*r6inv;
+          term2 = buck6d4[itype][jtype]*r14inv;
+          term3 = term2*term2;
+          term4 = 1.0/(1.0 + term2);
+          term5 = 1.0/(1.0 + 2.0*term2 + term3);
+          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+          forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
+          ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
+
+          // smoothing term
+          if (rsq > rsmooth_sq[itype][jtype]) {
+            rcu = r*rsq;
+            rqu = rsq*rsq;
+            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+                  c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
+            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+                  3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
+            // forcebuck6d is -dE/dr*r 
+            forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
+            ebuck6d *= sme;
+          }
+        } else forcebuck6d = 0.0;
+
+        if (rsq < cut_coulsq) {
+          prefactor = qqrd2e*qtmp*q[j]/r;
+
+        //below: parametrization for erfcc = erf(alpha_ij[itype][jtype]*r);
+          arg = alpha_ij[itype][jtype]*r;
+          erfcd = MathSpecial::expmsq(arg);
+          erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
+          
+          forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
+                                                r*f_shift_ij[itype][jtype]) * r;
+        
+          if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor;
+        } else forcecoul = 0.0;
+
+        fpair = (forcecoul + factor_lj*forcebuck6d) * r2inv;
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+
+        if (eflag) {
+          if (rsq < cut_ljsq[itype][jtype]) {
+            evdwl = ebuck6d - offset[itype][jtype];
+            evdwl *= factor_lj;
+          } else evdwl = 0.0;
+
+          if (rsq < cut_coulsq) {
+            ecoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
+                                 rsq*f_shift_ij[itype][jtype]);
+            if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor;
+          } else ecoul = 0.0;
+        }
+
+        if (evflag) ev_tally(i,j,nlocal,newton_pair,
+                             evdwl,ecoul,fpair,delx,dely,delz);
+      }
+    }
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+  memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+  memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+  memory->create(alpha_ij,n+1,n+1,"pair:alpha_ij");
+  memory->create(f_shift_ij,n+1,n+1,"pair:f_shift_ij");
+  memory->create(e_shift_ij,n+1,n+1,"pair:e_shift_ij");
+  memory->create(buck6d1,n+1,n+1,"pair:buck6d1");
+  memory->create(buck6d2,n+1,n+1,"pair:buck6d2");
+  memory->create(buck6d3,n+1,n+1,"pair:buck6d3");
+  memory->create(buck6d4,n+1,n+1,"pair:buck6d4");
+  memory->create(c0,n+1,n+1,"pair:c0");
+  memory->create(c1,n+1,n+1,"pair:c1");
+  memory->create(c2,n+1,n+1,"pair:c2");
+  memory->create(c3,n+1,n+1,"pair:c3");
+  memory->create(c4,n+1,n+1,"pair:c4");
+  memory->create(c5,n+1,n+1,"pair:c5");
+  memory->create(rsmooth_sq,n+1,n+1,"pair:rsmooth_sq");
+  memory->create(offset,n+1,n+1,"pair:offset");
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::settings(int narg, char **arg)
+{
+  if (narg < 2 || narg > 3) error->all(FLERR,"Illegal pair_style command");
+
+  vdwl_smooth = force->numeric(FLERR,arg[0]);
+
+  cut_lj_global = force->numeric(FLERR,arg[1]);
+  if (narg == 2) cut_coul = cut_lj_global;
+  else cut_coul = force->numeric(FLERR,arg[2]);
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i+1; j <= atom->ntypes; j++)
+        if (setflag[i][j])
+          cut_lj[i][j] = cut_lj_global;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::coeff(int narg, char **arg)
+{
+  if (narg < 7 || narg > 8)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  double buck6d1_one = force->numeric(FLERR,arg[2]);
+  double buck6d2_one = force->numeric(FLERR,arg[3]);
+  double buck6d3_one = force->numeric(FLERR,arg[4]);
+  double buck6d4_one = force->numeric(FLERR,arg[5]);
+  double alpha_one = force->numeric(FLERR,arg[6]);
+
+  double cut_lj_one = cut_lj_global;
+  if (narg == 8) cut_lj_one = force->numeric(FLERR,arg[7]);
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      buck6d1[i][j] = buck6d1_one;
+      buck6d2[i][j] = buck6d2_one;
+      buck6d3[i][j] = buck6d3_one;
+      buck6d4[i][j] = buck6d4_one;
+      alpha_ij[i][j] = alpha_one;
+      cut_lj[i][j] = cut_lj_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::init_style()
+{
+  if (!atom->q_flag)
+    error->all(FLERR,"Pair style buck6d/coul/dsf requires atom attribute q");
+
+  neighbor->request(this,instance_me);
+
+  cut_coulsq = cut_coul * cut_coul;  
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairBuck6dCoulGaussDSF::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  double cut = MAX(cut_lj[i][j],cut_coul);
+  cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
+  
+  //calculation of smoothing coefficients c0-c5
+  c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
+  rsmooth_sq[i][j] = cut_ljsq[i][j];
+  if (vdwl_smooth < 1.0) {
+    double rsm = vdwl_smooth * cut_lj[i][j];
+    double rsm_sq = rsm * rsm;
+    double denom = pow((cut_lj[i][j]-rsm),5.0);
+    c0[i][j] = cut_lj[i][j]*cut_ljsq[i][j]*(cut_ljsq[i][j]-
+               5.0*cut_lj[i][j]*rsm+10.0*rsm_sq)/denom;
+    c1[i][j] = -30.0*(cut_ljsq[i][j]*rsm_sq)/denom;
+    c2[i][j] = 30.0*(cut_ljsq[i][j]*rsm + cut_lj[i][j]*rsm_sq)/denom;
+    c3[i][j] = -10.0*(cut_ljsq[i][j] + 4.0*cut_lj[i][j]*rsm + rsm_sq)/denom;
+    c4[i][j] = 15.0*(cut_lj[i][j]+rsm)/denom;
+    c5[i][j] = -6.0/denom;
+    rsmooth_sq[i][j] = rsm_sq;
+  }
+  
+  // if offset_flag, shift is only invoked if there is not already smoothing
+  if (offset_flag && vdwl_smooth >= 1.0) {
+    double term1 = buck6d3[i][j]/pow(cut_lj[i][j],6.0);
+    double term4 = 1.0/(1.0 + (buck6d4[i][j]/pow(cut_lj[i][j],14.0)));
+    double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
+    offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
+  } else offset[i][j] = 0.0;
+  
+  double erfcd_c = exp(-alpha_ij[i][j]*alpha_ij[i][j]*cut_coul*cut_coul);
+  double erfcc_c = erf(alpha_ij[i][j]*cut_coul);
+  f_shift_ij[i][j] = -erfcc_c/cut_coulsq + 2.0/MY_PIS*alpha_ij[i][j]*erfcd_c/cut_coul;
+  e_shift_ij[i][j] = erfcc_c/cut_coul - f_shift_ij[i][j]*cut_coul;
+  
+  cut_ljsq[j][i] = cut_ljsq[i][j];
+  alpha_ij[j][i] = alpha_ij[i][j];
+  f_shift_ij[j][i] = f_shift_ij[i][j];
+  e_shift_ij[j][i] = e_shift_ij[i][j];
+  buck6d1[j][i] = buck6d1[i][j];
+  buck6d2[j][i] = buck6d2[i][j];
+  buck6d3[j][i] = buck6d3[i][j];
+  buck6d4[j][i] = buck6d4[i][j];
+  c0[j][i] = c0[i][j];
+  c1[j][i] = c1[i][j];
+  c2[j][i] = c2[i][j];
+  c3[j][i] = c3[i][j];
+  c4[j][i] = c4[i][j];
+  c5[j][i] = c5[i][j];
+  rsmooth_sq[j][i] = rsmooth_sq[i][j];
+  offset[j][i] = offset[i][j];
+
+  return cut;
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::write_restart(FILE *fp)
+{
+  write_restart_settings(fp);
+
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+        fwrite(&buck6d1[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d2[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d3[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d4[i][j],sizeof(double),1,fp);
+        fwrite(&alpha_ij[i][j],sizeof(double),1,fp);
+        fwrite(&cut_lj[i][j],sizeof(double),1,fp);
+            }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::read_restart(FILE *fp)
+{
+  read_restart_settings(fp);
+  allocate();
+
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+        if (me == 0) {
+          fread(&buck6d1[i][j],sizeof(double),1,fp);
+          fread(&buck6d2[i][j],sizeof(double),1,fp);
+          fread(&buck6d3[i][j],sizeof(double),1,fp);
+          fread(&buck6d4[i][j],sizeof(double),1,fp);
+          fread(&alpha_ij[i][j],sizeof(double),1,fp);
+          fread(&cut_lj[i][j],sizeof(double),1,fp);
+        }
+        MPI_Bcast(&buck6d1[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d2[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d3[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d4[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&alpha_ij[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cut_lj[i][j],1,MPI_DOUBLE,0,world);
+      }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::write_restart_settings(FILE *fp)
+{
+  fwrite(&vdwl_smooth,sizeof(double),1,fp);
+  fwrite(&cut_lj_global,sizeof(double),1,fp);
+  fwrite(&cut_coul,sizeof(double),1,fp);
+  fwrite(&offset_flag,sizeof(int),1,fp);
+  fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::read_restart_settings(FILE *fp)
+{
+  if (comm->me == 0) {
+    fread(&vdwl_smooth,sizeof(double),1,fp);
+    fread(&cut_lj_global,sizeof(double),1,fp);
+    fread(&cut_coul,sizeof(double),1,fp);
+    fread(&offset_flag,sizeof(int),1,fp);
+    fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&vdwl_smooth,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to data file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::write_data(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    fprintf(fp,"%d %g %g %g %g %g\n",i,
+            buck6d1[i][i],buck6d2[i][i],buck6d3[i][i],
+            buck6d4[i][i],alpha_ij[i][i]);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes all pairs to data file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussDSF::write_data_all(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    for (int j = i; j <= atom->ntypes; j++)
+      fprintf(fp,"%d %d %g %g %g %g %g %g\n",i,j,
+              buck6d1[i][j],buck6d2[i][j],buck6d3[i][j],
+              buck6d4[i][j],alpha_ij[i][j],cut_lj[i][j]);
+}
+/* ---------------------------------------------------------------------- */
+
+double PairBuck6dCoulGaussDSF::single(int i, int j, int itype, int jtype, double rsq,
+                                double factor_coul, double factor_lj,
+                                double &fforce)
+{
+  double r,r2inv,r6inv,r14inv,rexp,term1,term2,term3,term4,term5;
+  double rcu,rqu,sme,smf;
+  double erfcc,erfcd,prefactor,arg;
+  double forcecoul,forcebuck6d,ebuck6d,phicoul,phibuck6d;
+
+  r2inv = 1.0/rsq;
+  r = sqrt(rsq);
+  if (rsq < cut_ljsq[itype][jtype]) {
+    r6inv = r2inv*r2inv*r2inv;
+    r14inv = r6inv*r6inv*r2inv;
+    rexp = exp(-r*buck6d2[itype][jtype]);
+    term1 = buck6d3[itype][jtype]*r6inv;
+    term2 = buck6d4[itype][jtype]*r14inv;
+    term3 = term2*term2;
+    term4 = 1.0/(1.0 + term2);
+    term5 = 1.0/(1.0 + 2.0*term2 + term3);
+    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+    forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
+    ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
+    // smoothing term
+    if (rsq > rsmooth_sq[itype][jtype]) {
+      rcu = r*rsq;
+      rqu = rsq*rsq;
+      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+            c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
+      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+            3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
+      // forcebuck6d is -dE/dr*r 
+      forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
+      ebuck6d *= sme;
+    }
+  } else forcebuck6d = 0.0;
+
+  if (rsq < cut_coulsq) {
+    prefactor = factor_coul * force->qqrd2e * atom->q[i] * atom->q[j] / r;
+    arg = alpha_ij[itype][jtype]*r;
+    erfcd = MathSpecial::expmsq(arg);
+    erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
+    forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
+                                          r*f_shift_ij[itype][jtype]) * r;
+  } else forcecoul = 0.0;
+
+  fforce = (forcecoul + factor_lj*forcebuck6d) * r2inv;
+
+  double eng = 0.0;
+  if (rsq < cut_ljsq[itype][jtype]) {
+    phibuck6d = ebuck6d - offset[itype][jtype];
+    eng += factor_lj*phibuck6d;
+  }
+
+  if (rsq < cut_coulsq) {
+    phicoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
+                                 rsq*f_shift_ij[itype][jtype]);
+    eng += phicoul;
+  }
+
+  return eng;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void *PairBuck6dCoulGaussDSF::extract(const char *str, int &dim)
+{
+  dim = 2;
+  if (strcmp(str,"cut_ljsq") == 0) return (void *) cut_ljsq;
+  if (strcmp(str,"buck6d1") == 0) return (void *) buck6d1;
+  if (strcmp(str,"buck6d2") == 0) return (void *) buck6d2;
+  if (strcmp(str,"buck6d3") == 0) return (void *) buck6d3;
+  if (strcmp(str,"buck6d4") == 0) return (void *) buck6d4;
+  if (strcmp(str,"rsmooth_sq") == 0) return (void *) rsmooth_sq;
+  if (strcmp(str,"c0") == 0) return (void *) c0;
+  if (strcmp(str,"c1") == 0) return (void *) c1;
+  if (strcmp(str,"c2") == 0) return (void *) c2;
+  if (strcmp(str,"c3") == 0) return (void *) c3;
+  if (strcmp(str,"c4") == 0) return (void *) c4;
+  if (strcmp(str,"c5") == 0) return (void *) c5;
+  if (strcmp(str,"offset") == 0) return (void *) offset;
+
+  if (strcmp(str,"cut_coul") == 0) {
+    dim = 0;
+    return (void *) &cut_coul;
+  }
+  return NULL;
+}
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
index 3c54d64770..ffeb6fa957 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
@@ -1,646 +1,646 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Hendrik Heenen (Technical University of Munich)
-                        and Rochus Schmid (Ruhr-Universitaet Bochum)
-   References: Bureekaew and Schmid, Phys. Status Solidi B 250, 1128 (2013)
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
-#include "pair_buck6d_coul_gauss_long.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "kspace.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
-#include "math_const.h"
-#include "error.h"
-#include "math_special.h"
-
-using namespace LAMMPS_NS;
-using namespace MathConst;
-
-#define EWALD_F   1.12837917
-
-/* ---------------------------------------------------------------------- */
-
-PairBuck6dCoulGaussLong::PairBuck6dCoulGaussLong(LAMMPS *lmp) : Pair(lmp)
-{
-  ewaldflag = pppmflag = 1;
-  single_enable = 1;
-  writedata = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairBuck6dCoulGaussLong::~PairBuck6dCoulGaussLong()
-{
-  if (!copymode) {
-    if (allocated) {
-      memory->destroy(setflag);
-      memory->destroy(cutsq);
-
-      memory->destroy(cut_lj);
-      memory->destroy(cut_ljsq);
-      memory->destroy(alpha_ij);
-      memory->destroy(buck6d1);
-      memory->destroy(buck6d2);
-      memory->destroy(buck6d3);
-      memory->destroy(buck6d4);
-      memory->destroy(c0);
-      memory->destroy(c1);
-      memory->destroy(c2);
-      memory->destroy(c3);
-      memory->destroy(c4);
-      memory->destroy(c5);
-      memory->destroy(rsmooth_sq);
-      memory->destroy(offset);
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
-  double r,rsq,r2inv,r6inv,r14inv,rexp,forcecoul,forcebuck6d,factor_coul,factor_lj;
-  double grij,expm2,erf;
-  double term1,term2,term3,term4,term5;
-  double rcu,rqu,sme,smf,ebuck6d,ealpha;
-  double prefactor,erfa,expa,arg,falpha;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-
-  evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  double *q = atom->q;
-  int *type = atom->type;
-  int nlocal = atom->nlocal;
-  double *special_lj = force->special_lj;
-  double *special_coul = force->special_coul;
-  int newton_pair = force->newton_pair;
-  double qqrd2e = force->qqrd2e;
-
-  inum = list->inum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // loop over neighbors of my atoms
-
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    qtmp = q[i];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      factor_lj = special_lj[sbmask(j)];
-      factor_coul = special_coul[sbmask(j)];
-      j &= NEIGHMASK;
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      jtype = type[j];
-
-      if (rsq < cutsq[itype][jtype]) {
-        r2inv = 1.0/rsq;
-        r = sqrt(rsq);
-
-        if (rsq < cut_ljsq[itype][jtype]) {
-          r6inv = r2inv*r2inv*r2inv;
-          r14inv = r6inv*r6inv*r2inv;
-          rexp = exp(-r*buck6d2[itype][jtype]);
-          term1 = buck6d3[itype][jtype]*r6inv;
-          term2 = buck6d4[itype][jtype]*r14inv;
-          term3 = term2*term2;
-          term4 = 1.0/(1.0 + term2);
-          term5 = 1.0/(1.0 + 2.0*term2 + term3);
-          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
-          forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
-          ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
-          
-          // smoothing term
-          if (rsq > rsmooth_sq[itype][jtype]) {
-            rcu = r*rsq;
-            rqu = rsq*rsq;
-            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
-                  c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
-                  3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-            // forcebuck6d is -dE/dr*r
-            forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r;
-            ebuck6d *= sme;
-          }
-        } else forcebuck6d = 0.0;
-
-        if (rsq < cut_coulsq) {
-        // long range - real space
-          grij = g_ewald * r;
-          expm2 = MathSpecial::expmsq(grij);
-          erf = 1 - (MathSpecial::my_erfcx(grij) * expm2);
-
-        // gaussian for 1/r alpha_ij contribution
-          arg = alpha_ij[itype][jtype]*r;
-          expa = MathSpecial::expmsq(arg);
-          erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
-          
-          prefactor = qqrd2e*qtmp*q[j]/r;
-          falpha = erfa - EWALD_F*arg*expa;
-          forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
-          if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
-          
-          // (q*q/r) * (gauss(alpha_ij) - gauss(alpha_long)
-          ealpha = prefactor * (erfa-erf);
-          // smoothing term - NOTE: ingnored in special_bonds correction 
-          // since likely rsmooth_sq_c >> d(special)
-          if (rsq > rsmooth_sq_c) {
-            rcu = r*rsq;
-            rqu = rsq*rsq;
-            sme = c5_c*rqu*r + c4_c*rqu + c3_c*rcu + c2_c*rsq + c1_c*r + c0_c;
-            smf = 5.0*c5_c*rqu + 4.0*c4_c*rcu + 3.0*c3_c*rsq + 2.0*c2_c*r + c1_c;
-            forcecoul = forcecoul*sme - ealpha*smf*r;
-            ealpha *= sme;
-          }
-        } else forcecoul = 0.0;
-          
-
-        fpair = (forcecoul + factor_lj*forcebuck6d) * r2inv;
-        f[i][0] += delx*fpair;
-        f[i][1] += dely*fpair;
-        f[i][2] += delz*fpair;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= delx*fpair;
-          f[j][1] -= dely*fpair;
-          f[j][2] -= delz*fpair;
-        }
-
-        if (eflag) {
-          if (rsq < cut_ljsq[itype][jtype]) {
-            evdwl = ebuck6d - offset[itype][jtype];
-            evdwl *= factor_lj;
-          } else evdwl = 0.0;
-
-          if (rsq < cut_coulsq) {
-            ecoul = ealpha;
-            if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor*erfa;
-          } else ecoul = 0.0;
-        }
-
-        if (evflag) ev_tally(i,j,nlocal,newton_pair,
-                             evdwl,ecoul,fpair,delx,dely,delz);
-      }
-    }
-  }
-
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-
-  memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
-  memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
-  memory->create(alpha_ij,n+1,n+1,"pair:alpha_ij");
-  memory->create(buck6d1,n+1,n+1,"pair:buck6d1");
-  memory->create(buck6d2,n+1,n+1,"pair:buck6d2");
-  memory->create(buck6d3,n+1,n+1,"pair:buck6d3");
-  memory->create(buck6d4,n+1,n+1,"pair:buck6d4");
-  memory->create(c0,n+1,n+1,"pair:c0");
-  memory->create(c1,n+1,n+1,"pair:c1");
-  memory->create(c2,n+1,n+1,"pair:c2");
-  memory->create(c3,n+1,n+1,"pair:c3");
-  memory->create(c4,n+1,n+1,"pair:c4");
-  memory->create(c5,n+1,n+1,"pair:c5");
-  memory->create(rsmooth_sq,n+1,n+1,"pair:rsmooth_sq");
-  memory->create(offset,n+1,n+1,"pair:offset");
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::settings(int narg, char **arg)
-{
-  if (narg < 3 || narg > 4) error->all(FLERR,"Illegal pair_style command");
-
-  vdwl_smooth = force->numeric(FLERR,arg[0]);
-  coul_smooth = force->numeric(FLERR,arg[1]);
-
-  cut_lj_global = force->numeric(FLERR,arg[2]);
-  if (narg == 3) cut_coul = cut_lj_global;
-  else cut_coul = force->numeric(FLERR,arg[3]);
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i+1; j <= atom->ntypes; j++)
-        if (setflag[i][j])
-          cut_lj[i][j] = cut_lj_global;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::coeff(int narg, char **arg)
-{
-  if (narg < 7 || narg > 8)
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  double buck6d1_one = force->numeric(FLERR,arg[2]);
-  double buck6d2_one = force->numeric(FLERR,arg[3]);
-  double buck6d3_one = force->numeric(FLERR,arg[4]);
-  double buck6d4_one = force->numeric(FLERR,arg[5]);
-  double alpha_one = force->numeric(FLERR,arg[6]);
-
-  double cut_lj_one = cut_lj_global;
-  if (narg == 8) cut_lj_one = force->numeric(FLERR,arg[7]);
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      buck6d1[i][j] = buck6d1_one;
-      buck6d2[i][j] = buck6d2_one;
-      buck6d3[i][j] = buck6d3_one;
-      buck6d4[i][j] = buck6d4_one;
-      alpha_ij[i][j] = alpha_one;
-      cut_lj[i][j] = cut_lj_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-/* ----------------------------------------------------------------------
-   init specific to this pair style
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::init_style()
-{
-  if (!atom->q_flag)
-    error->all(FLERR,"Pair style buck6d/coul/dsf requires atom attribute q");
-
-  // insure use of KSpace long-range solver, set g_ewald
-
-  if (force->kspace == NULL)
-    error->all(FLERR,"Pair style requires a KSpace style");
-  g_ewald = force->kspace->g_ewald;
-
-  neighbor->request(this,instance_me);
-
-  cut_coulsq = cut_coul * cut_coul;  
-  
-  //calculation of smoothing coefficients c0_c-c5_c for coulomb smoothing
-  c0_c = c1_c = c2_c = c3_c = c4_c = c5_c = 0.0;
-  rsmooth_sq_c = cut_coulsq;
-  if (coul_smooth < 1.0) {
-    double rsm = coul_smooth * cut_coul;
-    double rsm_sq = rsm * rsm;
-    double denom = pow((cut_coul-rsm),5.0);
-    c0_c = cut_coul*cut_coulsq*(cut_coulsq-
-           5.0*cut_coul*rsm+10.0*rsm_sq)/denom;
-    c1_c = -30.0*(cut_coulsq*rsm_sq)/denom;
-    c2_c = 30.0*(cut_coulsq*rsm + cut_coul*rsm_sq)/denom;
-    c3_c = -10.0*(cut_coulsq + 4.0*cut_coul*rsm + rsm_sq)/denom;
-    c4_c = 15.0*(cut_coul+rsm)/denom;
-    c5_c = -6.0/denom;
-    rsmooth_sq_c = rsm_sq;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairBuck6dCoulGaussLong::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
-
-  double cut = MAX(cut_lj[i][j],cut_coul);
-  cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
-  
-  //calculation of smoothing coefficients c0-c5
-  c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
-  rsmooth_sq[i][j] = cut_ljsq[i][j];
-  if (vdwl_smooth < 1.0) {
-    double rsm = vdwl_smooth * cut_lj[i][j];
-    double rsm_sq = rsm * rsm;
-    double denom = pow((cut_lj[i][j]-rsm),5.0);
-    c0[i][j] = cut_lj[i][j]*cut_ljsq[i][j]*(cut_ljsq[i][j]-
-               5.0*cut_lj[i][j]*rsm+10.0*rsm_sq)/denom;
-    c1[i][j] = -30.0*(cut_ljsq[i][j]*rsm_sq)/denom;
-    c2[i][j] = 30.0*(cut_ljsq[i][j]*rsm + cut_lj[i][j]*rsm_sq)/denom;
-    c3[i][j] = -10.0*(cut_ljsq[i][j] + 4.0*cut_lj[i][j]*rsm + rsm_sq)/denom;
-    c4[i][j] = 15.0*(cut_lj[i][j]+rsm)/denom;
-    c5[i][j] = -6.0/denom;
-    rsmooth_sq[i][j] = rsm_sq;
-  }
-
-  // if offset_flag, shift is only invoked if there is not already smoothing
-  if (offset_flag && vdwl_smooth >= 1.0) {
-    double term1 = buck6d3[i][j]/pow(cut_lj[i][j],6.0);
-    double term4 = 1.0/(1.0 + (buck6d4[i][j]/pow(cut_lj[i][j],14.0)));
-    double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
-    offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
-  } else offset[i][j] = 0.0;
-  
-  cut_ljsq[j][i] = cut_ljsq[i][j];
-  alpha_ij[j][i] = alpha_ij[i][j];
-  buck6d1[j][i] = buck6d1[i][j];
-  buck6d2[j][i] = buck6d2[i][j];
-  buck6d3[j][i] = buck6d3[i][j];
-  buck6d4[j][i] = buck6d4[i][j];
-  c0[j][i] = c0[i][j];
-  c1[j][i] = c1[i][j];
-  c2[j][i] = c2[i][j];
-  c3[j][i] = c3[i][j];
-  c4[j][i] = c4[i][j];
-  c5[j][i] = c5[i][j];
-  rsmooth_sq[j][i] = rsmooth_sq[i][j];
-  offset[j][i] = offset[i][j];
-
-  return cut;
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::write_restart(FILE *fp)
-{
-  write_restart_settings(fp);
-
-  int i,j;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      fwrite(&setflag[i][j],sizeof(int),1,fp);
-      if (setflag[i][j]) {
-        fwrite(&buck6d1[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d2[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d3[i][j],sizeof(double),1,fp);
-        fwrite(&buck6d4[i][j],sizeof(double),1,fp);
-        fwrite(&alpha_ij[i][j],sizeof(double),1,fp);
-        fwrite(&cut_lj[i][j],sizeof(double),1,fp);
-            }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::read_restart(FILE *fp)
-{
-  read_restart_settings(fp);
-  allocate();
-
-  int i,j;
-  int me = comm->me;
-  for (i = 1; i <= atom->ntypes; i++)
-    for (j = i; j <= atom->ntypes; j++) {
-      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
-      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
-      if (setflag[i][j]) {
-        if (me == 0) {
-          fread(&buck6d1[i][j],sizeof(double),1,fp);
-          fread(&buck6d2[i][j],sizeof(double),1,fp);
-          fread(&buck6d3[i][j],sizeof(double),1,fp);
-          fread(&buck6d4[i][j],sizeof(double),1,fp);
-          fread(&alpha_ij[i][j],sizeof(double),1,fp);
-          fread(&cut_lj[i][j],sizeof(double),1,fp);
-        }
-        MPI_Bcast(&buck6d1[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d2[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d3[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&buck6d4[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&alpha_ij[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&cut_lj[i][j],1,MPI_DOUBLE,0,world);
-      }
-    }
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 writes to restart file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::write_restart_settings(FILE *fp)
-{
-  fwrite(&vdwl_smooth,sizeof(double),1,fp);
-  fwrite(&coul_smooth,sizeof(double),1,fp);
-  fwrite(&cut_lj_global,sizeof(double),1,fp);
-  fwrite(&cut_coul,sizeof(double),1,fp);
-  fwrite(&offset_flag,sizeof(int),1,fp);
-  fwrite(&mix_flag,sizeof(int),1,fp);
-  fwrite(&tail_flag,sizeof(int),1,fp);
-}
-
-/* ----------------------------------------------------------------------
-  proc 0 reads from restart file, bcasts
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::read_restart_settings(FILE *fp)
-{
-  if (comm->me == 0) {
-    fread(&vdwl_smooth,sizeof(double),1,fp);
-    fread(&coul_smooth,sizeof(double),1,fp);
-    fread(&cut_lj_global,sizeof(double),1,fp);
-    fread(&cut_coul,sizeof(double),1,fp);
-    fread(&offset_flag,sizeof(int),1,fp);
-    fread(&mix_flag,sizeof(int),1,fp);
-    fread(&tail_flag,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&vdwl_smooth,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&coul_smooth,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
-  MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
-  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
-  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to data file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::write_data(FILE *fp)
-{
-  for (int i = 1; i <= atom->ntypes; i++)
-    fprintf(fp,"%d %g %g %g %g %g\n",i,
-            buck6d1[i][i],buck6d2[i][i],buck6d3[i][i],
-            buck6d4[i][i],alpha_ij[i][i]);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes all pairs to data file
-------------------------------------------------------------------------- */
-
-void PairBuck6dCoulGaussLong::write_data_all(FILE *fp)
-{
-  for (int i = 1; i <= atom->ntypes; i++)
-    for (int j = i; j <= atom->ntypes; j++)
-      fprintf(fp,"%d %d %g %g %g %g %g %g\n",i,j,
-              buck6d1[i][j],buck6d2[i][j],buck6d3[i][j],
-              buck6d4[i][j],alpha_ij[i][j],cut_lj[i][j]);
-}
-/* ---------------------------------------------------------------------- */
-
-double PairBuck6dCoulGaussLong::single(int i, int j, int itype, int jtype, double rsq,
-                                double factor_coul, double factor_lj,
-                                double &fforce)
-{
-  double r,r2inv,r6inv,r14inv,rexp,term1,term2,term3,term4,term5;
-  double rcu,rqu,sme,smf;
-  double erfa,expa,prefactor,arg,falpha,ealpha;
-  double grij,expm2,erf;
-  double forcecoul,forcebuck6d,ebuck6d,phicoul,phibuck6d;
-
-  r2inv = 1.0/rsq;
-  r = sqrt(rsq);
-  if (rsq < cut_ljsq[itype][jtype]) {
-    r6inv = r2inv*r2inv*r2inv;
-    r14inv = r6inv*r6inv*r2inv;
-    rexp = exp(-r*buck6d2[itype][jtype]);
-    term1 = buck6d3[itype][jtype]*r6inv;
-    term2 = buck6d4[itype][jtype]*r14inv;
-    term3 = term2*term2;
-    term4 = 1.0/(1.0 + term2);
-    term5 = 1.0/(1.0 + 2.0*term2 + term3);
-    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
-    forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
-    ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
-    // smoothing term
-    if (rsq > rsmooth_sq[itype][jtype]) {
-      rcu = r*rsq;
-      rqu = rsq*rsq;
-      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
-            c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
-            3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-      // forcebuck6d is -dE/dr*r 
-      forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
-      ebuck6d *= sme;
-    }
-  } else forcebuck6d = 0.0;
-
-  if (rsq < cut_coulsq) {
-  // long range - real space
-    grij = g_ewald * r;
-    expm2 = MathSpecial::expmsq(grij);
-    erf = 1 - (MathSpecial::my_erfcx(grij) * expm2);
-
-    // gaussian for 1/r alpha_ij contribution
-    arg = alpha_ij[itype][jtype]*r;
-    expa = MathSpecial::expmsq(arg);
-    erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
-          
-    prefactor = force->qqrd2e * atom->q[i] * atom->q[j] / r;
-    falpha = erfa - EWALD_F*arg*expa;
-    forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
-    if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
-          
-    ealpha = prefactor * (erfa-erf);
-    // smoothing term
-    if (rsq > rsmooth_sq_c) {
-      rcu = r*rsq;
-      rqu = rsq*rsq;
-      sme = c5_c*rqu*r + c4_c*rqu + c3_c*rcu + c2_c*rsq + c1_c*r + c0_c;
-      smf = 5.0*c5_c*rqu + 4.0*c4_c*rcu + 3.0*c3_c*rsq + 2.0*c2_c*r + c1_c;
-      forcecoul = forcecoul*sme - ealpha*smf*r;
-      ealpha *= sme;
-    }
-  } else forcecoul = 0.0;
-
-  fforce = (forcecoul + factor_lj*forcebuck6d) * r2inv;
-
-  double eng = 0.0;
-  if (rsq < cut_ljsq[itype][jtype]) {
-    phibuck6d = ebuck6d - offset[itype][jtype];
-    eng += factor_lj*phibuck6d;
-  }
-
-  if (rsq < cut_coulsq) {
-    phicoul = ealpha;
-    if (factor_coul < 1.0) phicoul -= (1.0-factor_coul)*prefactor*erfa;
-    eng += phicoul;
-  }
-
-  return eng;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void *PairBuck6dCoulGaussLong::extract(const char *str, int &dim)
-{
-  dim = 2;
-  if (strcmp(str,"cut_ljsq") == 0) return (void *) cut_ljsq;
-  if (strcmp(str,"buck6d1") == 0) return (void *) buck6d1;
-  if (strcmp(str,"buck6d2") == 0) return (void *) buck6d2;
-  if (strcmp(str,"buck6d3") == 0) return (void *) buck6d3;
-  if (strcmp(str,"buck6d4") == 0) return (void *) buck6d4;
-  if (strcmp(str,"rsmooth_sq") == 0) return (void *) rsmooth_sq;
-  if (strcmp(str,"c0") == 0) return (void *) c0;
-  if (strcmp(str,"c1") == 0) return (void *) c1;
-  if (strcmp(str,"c2") == 0) return (void *) c2;
-  if (strcmp(str,"c3") == 0) return (void *) c3;
-  if (strcmp(str,"c4") == 0) return (void *) c4;
-  if (strcmp(str,"c5") == 0) return (void *) c5;
-  if (strcmp(str,"offset") == 0) return (void *) offset;
-
-  if (strcmp(str,"cut_coul") == 0) {
-    dim = 0;
-    return (void *) &cut_coul;
-  }
-  return NULL;
-}
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Hendrik Heenen (Technical University of Munich)
+                        and Rochus Schmid (Ruhr-Universitaet Bochum)
+   References: Bureekaew and Schmid, Phys. Status Solidi B 250, 1128 (2013)
+------------------------------------------------------------------------- */
+
+#include <cmath>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include "pair_buck6d_coul_gauss_long.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "kspace.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "memory.h"
+#include "math_const.h"
+#include "error.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+#define EWALD_F   1.12837917
+
+/* ---------------------------------------------------------------------- */
+
+PairBuck6dCoulGaussLong::PairBuck6dCoulGaussLong(LAMMPS *lmp) : Pair(lmp)
+{
+  ewaldflag = pppmflag = 1;
+  single_enable = 1;
+  writedata = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairBuck6dCoulGaussLong::~PairBuck6dCoulGaussLong()
+{
+  if (!copymode) {
+    if (allocated) {
+      memory->destroy(setflag);
+      memory->destroy(cutsq);
+
+      memory->destroy(cut_lj);
+      memory->destroy(cut_ljsq);
+      memory->destroy(alpha_ij);
+      memory->destroy(buck6d1);
+      memory->destroy(buck6d2);
+      memory->destroy(buck6d3);
+      memory->destroy(buck6d4);
+      memory->destroy(c0);
+      memory->destroy(c1);
+      memory->destroy(c2);
+      memory->destroy(c3);
+      memory->destroy(c4);
+      memory->destroy(c5);
+      memory->destroy(rsmooth_sq);
+      memory->destroy(offset);
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype;
+  double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair;
+  double r,rsq,r2inv,r6inv,r14inv,rexp,forcecoul,forcebuck6d,factor_coul,factor_lj;
+  double grij,expm2,erf;
+  double term1,term2,term3,term4,term5;
+  double rcu,rqu,sme,smf,ebuck6d,ealpha;
+  double prefactor,erfa,expa,arg,falpha;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+
+  evdwl = ecoul = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *type = atom->type;
+  int nlocal = atom->nlocal;
+  double *special_lj = force->special_lj;
+  double *special_coul = force->special_coul;
+  int newton_pair = force->newton_pair;
+  double qqrd2e = force->qqrd2e;
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // loop over neighbors of my atoms
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    qtmp = q[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      factor_lj = special_lj[sbmask(j)];
+      factor_coul = special_coul[sbmask(j)];
+      j &= NEIGHMASK;
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      jtype = type[j];
+
+      if (rsq < cutsq[itype][jtype]) {
+        r2inv = 1.0/rsq;
+        r = sqrt(rsq);
+
+        if (rsq < cut_ljsq[itype][jtype]) {
+          r6inv = r2inv*r2inv*r2inv;
+          r14inv = r6inv*r6inv*r2inv;
+          rexp = exp(-r*buck6d2[itype][jtype]);
+          term1 = buck6d3[itype][jtype]*r6inv;
+          term2 = buck6d4[itype][jtype]*r14inv;
+          term3 = term2*term2;
+          term4 = 1.0/(1.0 + term2);
+          term5 = 1.0/(1.0 + 2.0*term2 + term3);
+          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+          forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
+          ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
+          
+          // smoothing term
+          if (rsq > rsmooth_sq[itype][jtype]) {
+            rcu = r*rsq;
+            rqu = rsq*rsq;
+            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+                  c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
+            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+                  3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
+            // forcebuck6d is -dE/dr*r
+            forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r;
+            ebuck6d *= sme;
+          }
+        } else forcebuck6d = 0.0;
+
+        if (rsq < cut_coulsq) {
+        // long range - real space
+          grij = g_ewald * r;
+          expm2 = MathSpecial::expmsq(grij);
+          erf = 1 - (MathSpecial::my_erfcx(grij) * expm2);
+
+        // gaussian for 1/r alpha_ij contribution
+          arg = alpha_ij[itype][jtype]*r;
+          expa = MathSpecial::expmsq(arg);
+          erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
+          
+          prefactor = qqrd2e*qtmp*q[j]/r;
+          falpha = erfa - EWALD_F*arg*expa;
+          forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
+          if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
+          
+          // (q*q/r) * (gauss(alpha_ij) - gauss(alpha_long)
+          ealpha = prefactor * (erfa-erf);
+          // smoothing term - NOTE: ingnored in special_bonds correction 
+          // since likely rsmooth_sq_c >> d(special)
+          if (rsq > rsmooth_sq_c) {
+            rcu = r*rsq;
+            rqu = rsq*rsq;
+            sme = c5_c*rqu*r + c4_c*rqu + c3_c*rcu + c2_c*rsq + c1_c*r + c0_c;
+            smf = 5.0*c5_c*rqu + 4.0*c4_c*rcu + 3.0*c3_c*rsq + 2.0*c2_c*r + c1_c;
+            forcecoul = forcecoul*sme - ealpha*smf*r;
+            ealpha *= sme;
+          }
+        } else forcecoul = 0.0;
+          
+
+        fpair = (forcecoul + factor_lj*forcebuck6d) * r2inv;
+        f[i][0] += delx*fpair;
+        f[i][1] += dely*fpair;
+        f[i][2] += delz*fpair;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= delx*fpair;
+          f[j][1] -= dely*fpair;
+          f[j][2] -= delz*fpair;
+        }
+
+        if (eflag) {
+          if (rsq < cut_ljsq[itype][jtype]) {
+            evdwl = ebuck6d - offset[itype][jtype];
+            evdwl *= factor_lj;
+          } else evdwl = 0.0;
+
+          if (rsq < cut_coulsq) {
+            ecoul = ealpha;
+            if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor*erfa;
+          } else ecoul = 0.0;
+        }
+
+        if (evflag) ev_tally(i,j,nlocal,newton_pair,
+                             evdwl,ecoul,fpair,delx,dely,delz);
+      }
+    }
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+  memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+  memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+  memory->create(alpha_ij,n+1,n+1,"pair:alpha_ij");
+  memory->create(buck6d1,n+1,n+1,"pair:buck6d1");
+  memory->create(buck6d2,n+1,n+1,"pair:buck6d2");
+  memory->create(buck6d3,n+1,n+1,"pair:buck6d3");
+  memory->create(buck6d4,n+1,n+1,"pair:buck6d4");
+  memory->create(c0,n+1,n+1,"pair:c0");
+  memory->create(c1,n+1,n+1,"pair:c1");
+  memory->create(c2,n+1,n+1,"pair:c2");
+  memory->create(c3,n+1,n+1,"pair:c3");
+  memory->create(c4,n+1,n+1,"pair:c4");
+  memory->create(c5,n+1,n+1,"pair:c5");
+  memory->create(rsmooth_sq,n+1,n+1,"pair:rsmooth_sq");
+  memory->create(offset,n+1,n+1,"pair:offset");
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::settings(int narg, char **arg)
+{
+  if (narg < 3 || narg > 4) error->all(FLERR,"Illegal pair_style command");
+
+  vdwl_smooth = force->numeric(FLERR,arg[0]);
+  coul_smooth = force->numeric(FLERR,arg[1]);
+
+  cut_lj_global = force->numeric(FLERR,arg[2]);
+  if (narg == 3) cut_coul = cut_lj_global;
+  else cut_coul = force->numeric(FLERR,arg[3]);
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i+1; j <= atom->ntypes; j++)
+        if (setflag[i][j])
+          cut_lj[i][j] = cut_lj_global;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::coeff(int narg, char **arg)
+{
+  if (narg < 7 || narg > 8)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  double buck6d1_one = force->numeric(FLERR,arg[2]);
+  double buck6d2_one = force->numeric(FLERR,arg[3]);
+  double buck6d3_one = force->numeric(FLERR,arg[4]);
+  double buck6d4_one = force->numeric(FLERR,arg[5]);
+  double alpha_one = force->numeric(FLERR,arg[6]);
+
+  double cut_lj_one = cut_lj_global;
+  if (narg == 8) cut_lj_one = force->numeric(FLERR,arg[7]);
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      buck6d1[i][j] = buck6d1_one;
+      buck6d2[i][j] = buck6d2_one;
+      buck6d3[i][j] = buck6d3_one;
+      buck6d4[i][j] = buck6d4_one;
+      alpha_ij[i][j] = alpha_one;
+      cut_lj[i][j] = cut_lj_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::init_style()
+{
+  if (!atom->q_flag)
+    error->all(FLERR,"Pair style buck6d/coul/dsf requires atom attribute q");
+
+  // insure use of KSpace long-range solver, set g_ewald
+
+  if (force->kspace == NULL)
+    error->all(FLERR,"Pair style requires a KSpace style");
+  g_ewald = force->kspace->g_ewald;
+
+  neighbor->request(this,instance_me);
+
+  cut_coulsq = cut_coul * cut_coul;  
+  
+  //calculation of smoothing coefficients c0_c-c5_c for coulomb smoothing
+  c0_c = c1_c = c2_c = c3_c = c4_c = c5_c = 0.0;
+  rsmooth_sq_c = cut_coulsq;
+  if (coul_smooth < 1.0) {
+    double rsm = coul_smooth * cut_coul;
+    double rsm_sq = rsm * rsm;
+    double denom = pow((cut_coul-rsm),5.0);
+    c0_c = cut_coul*cut_coulsq*(cut_coulsq-
+           5.0*cut_coul*rsm+10.0*rsm_sq)/denom;
+    c1_c = -30.0*(cut_coulsq*rsm_sq)/denom;
+    c2_c = 30.0*(cut_coulsq*rsm + cut_coul*rsm_sq)/denom;
+    c3_c = -10.0*(cut_coulsq + 4.0*cut_coul*rsm + rsm_sq)/denom;
+    c4_c = 15.0*(cut_coul+rsm)/denom;
+    c5_c = -6.0/denom;
+    rsmooth_sq_c = rsm_sq;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairBuck6dCoulGaussLong::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  double cut = MAX(cut_lj[i][j],cut_coul);
+  cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
+  
+  //calculation of smoothing coefficients c0-c5
+  c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
+  rsmooth_sq[i][j] = cut_ljsq[i][j];
+  if (vdwl_smooth < 1.0) {
+    double rsm = vdwl_smooth * cut_lj[i][j];
+    double rsm_sq = rsm * rsm;
+    double denom = pow((cut_lj[i][j]-rsm),5.0);
+    c0[i][j] = cut_lj[i][j]*cut_ljsq[i][j]*(cut_ljsq[i][j]-
+               5.0*cut_lj[i][j]*rsm+10.0*rsm_sq)/denom;
+    c1[i][j] = -30.0*(cut_ljsq[i][j]*rsm_sq)/denom;
+    c2[i][j] = 30.0*(cut_ljsq[i][j]*rsm + cut_lj[i][j]*rsm_sq)/denom;
+    c3[i][j] = -10.0*(cut_ljsq[i][j] + 4.0*cut_lj[i][j]*rsm + rsm_sq)/denom;
+    c4[i][j] = 15.0*(cut_lj[i][j]+rsm)/denom;
+    c5[i][j] = -6.0/denom;
+    rsmooth_sq[i][j] = rsm_sq;
+  }
+
+  // if offset_flag, shift is only invoked if there is not already smoothing
+  if (offset_flag && vdwl_smooth >= 1.0) {
+    double term1 = buck6d3[i][j]/pow(cut_lj[i][j],6.0);
+    double term4 = 1.0/(1.0 + (buck6d4[i][j]/pow(cut_lj[i][j],14.0)));
+    double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
+    offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
+  } else offset[i][j] = 0.0;
+  
+  cut_ljsq[j][i] = cut_ljsq[i][j];
+  alpha_ij[j][i] = alpha_ij[i][j];
+  buck6d1[j][i] = buck6d1[i][j];
+  buck6d2[j][i] = buck6d2[i][j];
+  buck6d3[j][i] = buck6d3[i][j];
+  buck6d4[j][i] = buck6d4[i][j];
+  c0[j][i] = c0[i][j];
+  c1[j][i] = c1[i][j];
+  c2[j][i] = c2[i][j];
+  c3[j][i] = c3[i][j];
+  c4[j][i] = c4[i][j];
+  c5[j][i] = c5[i][j];
+  rsmooth_sq[j][i] = rsmooth_sq[i][j];
+  offset[j][i] = offset[i][j];
+
+  return cut;
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::write_restart(FILE *fp)
+{
+  write_restart_settings(fp);
+
+  int i,j;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      fwrite(&setflag[i][j],sizeof(int),1,fp);
+      if (setflag[i][j]) {
+        fwrite(&buck6d1[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d2[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d3[i][j],sizeof(double),1,fp);
+        fwrite(&buck6d4[i][j],sizeof(double),1,fp);
+        fwrite(&alpha_ij[i][j],sizeof(double),1,fp);
+        fwrite(&cut_lj[i][j],sizeof(double),1,fp);
+            }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::read_restart(FILE *fp)
+{
+  read_restart_settings(fp);
+  allocate();
+
+  int i,j;
+  int me = comm->me;
+  for (i = 1; i <= atom->ntypes; i++)
+    for (j = i; j <= atom->ntypes; j++) {
+      if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
+      MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
+      if (setflag[i][j]) {
+        if (me == 0) {
+          fread(&buck6d1[i][j],sizeof(double),1,fp);
+          fread(&buck6d2[i][j],sizeof(double),1,fp);
+          fread(&buck6d3[i][j],sizeof(double),1,fp);
+          fread(&buck6d4[i][j],sizeof(double),1,fp);
+          fread(&alpha_ij[i][j],sizeof(double),1,fp);
+          fread(&cut_lj[i][j],sizeof(double),1,fp);
+        }
+        MPI_Bcast(&buck6d1[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d2[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d3[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&buck6d4[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&alpha_ij[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cut_lj[i][j],1,MPI_DOUBLE,0,world);
+      }
+    }
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 writes to restart file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::write_restart_settings(FILE *fp)
+{
+  fwrite(&vdwl_smooth,sizeof(double),1,fp);
+  fwrite(&coul_smooth,sizeof(double),1,fp);
+  fwrite(&cut_lj_global,sizeof(double),1,fp);
+  fwrite(&cut_coul,sizeof(double),1,fp);
+  fwrite(&offset_flag,sizeof(int),1,fp);
+  fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+  proc 0 reads from restart file, bcasts
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::read_restart_settings(FILE *fp)
+{
+  if (comm->me == 0) {
+    fread(&vdwl_smooth,sizeof(double),1,fp);
+    fread(&coul_smooth,sizeof(double),1,fp);
+    fread(&cut_lj_global,sizeof(double),1,fp);
+    fread(&cut_coul,sizeof(double),1,fp);
+    fread(&offset_flag,sizeof(int),1,fp);
+    fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&vdwl_smooth,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&coul_smooth,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to data file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::write_data(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    fprintf(fp,"%d %g %g %g %g %g\n",i,
+            buck6d1[i][i],buck6d2[i][i],buck6d3[i][i],
+            buck6d4[i][i],alpha_ij[i][i]);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes all pairs to data file
+------------------------------------------------------------------------- */
+
+void PairBuck6dCoulGaussLong::write_data_all(FILE *fp)
+{
+  for (int i = 1; i <= atom->ntypes; i++)
+    for (int j = i; j <= atom->ntypes; j++)
+      fprintf(fp,"%d %d %g %g %g %g %g %g\n",i,j,
+              buck6d1[i][j],buck6d2[i][j],buck6d3[i][j],
+              buck6d4[i][j],alpha_ij[i][j],cut_lj[i][j]);
+}
+/* ---------------------------------------------------------------------- */
+
+double PairBuck6dCoulGaussLong::single(int i, int j, int itype, int jtype, double rsq,
+                                double factor_coul, double factor_lj,
+                                double &fforce)
+{
+  double r,r2inv,r6inv,r14inv,rexp,term1,term2,term3,term4,term5;
+  double rcu,rqu,sme,smf;
+  double erfa,expa,prefactor,arg,falpha,ealpha;
+  double grij,expm2,erf;
+  double forcecoul,forcebuck6d,ebuck6d,phicoul,phibuck6d;
+
+  r2inv = 1.0/rsq;
+  r = sqrt(rsq);
+  if (rsq < cut_ljsq[itype][jtype]) {
+    r6inv = r2inv*r2inv*r2inv;
+    r14inv = r6inv*r6inv*r2inv;
+    rexp = exp(-r*buck6d2[itype][jtype]);
+    term1 = buck6d3[itype][jtype]*r6inv;
+    term2 = buck6d4[itype][jtype]*r14inv;
+    term3 = term2*term2;
+    term4 = 1.0/(1.0 + term2);
+    term5 = 1.0/(1.0 + 2.0*term2 + term3);
+    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+    forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
+    ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
+    // smoothing term
+    if (rsq > rsmooth_sq[itype][jtype]) {
+      rcu = r*rsq;
+      rqu = rsq*rsq;
+      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+            c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
+      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+            3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
+      // forcebuck6d is -dE/dr*r 
+      forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
+      ebuck6d *= sme;
+    }
+  } else forcebuck6d = 0.0;
+
+  if (rsq < cut_coulsq) {
+  // long range - real space
+    grij = g_ewald * r;
+    expm2 = MathSpecial::expmsq(grij);
+    erf = 1 - (MathSpecial::my_erfcx(grij) * expm2);
+
+    // gaussian for 1/r alpha_ij contribution
+    arg = alpha_ij[itype][jtype]*r;
+    expa = MathSpecial::expmsq(arg);
+    erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
+          
+    prefactor = force->qqrd2e * atom->q[i] * atom->q[j] / r;
+    falpha = erfa - EWALD_F*arg*expa;
+    forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
+    if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
+          
+    ealpha = prefactor * (erfa-erf);
+    // smoothing term
+    if (rsq > rsmooth_sq_c) {
+      rcu = r*rsq;
+      rqu = rsq*rsq;
+      sme = c5_c*rqu*r + c4_c*rqu + c3_c*rcu + c2_c*rsq + c1_c*r + c0_c;
+      smf = 5.0*c5_c*rqu + 4.0*c4_c*rcu + 3.0*c3_c*rsq + 2.0*c2_c*r + c1_c;
+      forcecoul = forcecoul*sme - ealpha*smf*r;
+      ealpha *= sme;
+    }
+  } else forcecoul = 0.0;
+
+  fforce = (forcecoul + factor_lj*forcebuck6d) * r2inv;
+
+  double eng = 0.0;
+  if (rsq < cut_ljsq[itype][jtype]) {
+    phibuck6d = ebuck6d - offset[itype][jtype];
+    eng += factor_lj*phibuck6d;
+  }
+
+  if (rsq < cut_coulsq) {
+    phicoul = ealpha;
+    if (factor_coul < 1.0) phicoul -= (1.0-factor_coul)*prefactor*erfa;
+    eng += phicoul;
+  }
+
+  return eng;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void *PairBuck6dCoulGaussLong::extract(const char *str, int &dim)
+{
+  dim = 2;
+  if (strcmp(str,"cut_ljsq") == 0) return (void *) cut_ljsq;
+  if (strcmp(str,"buck6d1") == 0) return (void *) buck6d1;
+  if (strcmp(str,"buck6d2") == 0) return (void *) buck6d2;
+  if (strcmp(str,"buck6d3") == 0) return (void *) buck6d3;
+  if (strcmp(str,"buck6d4") == 0) return (void *) buck6d4;
+  if (strcmp(str,"rsmooth_sq") == 0) return (void *) rsmooth_sq;
+  if (strcmp(str,"c0") == 0) return (void *) c0;
+  if (strcmp(str,"c1") == 0) return (void *) c1;
+  if (strcmp(str,"c2") == 0) return (void *) c2;
+  if (strcmp(str,"c3") == 0) return (void *) c3;
+  if (strcmp(str,"c4") == 0) return (void *) c4;
+  if (strcmp(str,"c5") == 0) return (void *) c5;
+  if (strcmp(str,"offset") == 0) return (void *) offset;
+
+  if (strcmp(str,"cut_coul") == 0) {
+    dim = 0;
+    return (void *) &cut_coul;
+  }
+  return NULL;
+}

From 32b3ff6cd78b6ee97d997c9f99a7e501362eec70 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 24 Nov 2018 23:59:43 -0500
Subject: [PATCH 172/273] remove tabs

---
 src/STUBS/mpi.c | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/STUBS/mpi.c b/src/STUBS/mpi.c
index 281a12a4e7..053108fee8 100644
--- a/src/STUBS/mpi.c
+++ b/src/STUBS/mpi.c
@@ -463,8 +463,8 @@ int MPI_Allreduce(void *sendbuf, void *recvbuf, int count,
 /* copy values from data1 to data2 */
 
 int MPI_Reduce(void *sendbuf, void *recvbuf, int count,
-		   MPI_Datatype datatype, MPI_Op op,
-		   int root, MPI_Comm comm)
+                   MPI_Datatype datatype, MPI_Op op,
+                   int root, MPI_Comm comm)
 {
   int n = count * stubtypesize(datatype);
 
@@ -550,8 +550,8 @@ int MPI_Gather(void *sendbuf, int sendcount, MPI_Datatype sendtype,
 /* copy values from data1 to data2 */
 
 int MPI_Gatherv(void *sendbuf, int sendcount, MPI_Datatype sendtype,
-		void *recvbuf, int *recvcounts, int *displs,
-		MPI_Datatype recvtype, int root, MPI_Comm comm)
+                void *recvbuf, int *recvcounts, int *displs,
+                MPI_Datatype recvtype, int root, MPI_Comm comm)
 {
   int n = sendcount * stubtypesize(sendtype);
 
@@ -581,8 +581,8 @@ int MPI_Scatter(void *sendbuf, int sendcount, MPI_Datatype sendtype,
 /* copy values from data1 to data2 */
 
 int MPI_Scatterv(void *sendbuf, int *sendcounts, int *displs,
-		 MPI_Datatype sendtype, void *recvbuf, int recvcount,
-		 MPI_Datatype recvtype, int root, MPI_Comm comm)
+                 MPI_Datatype sendtype, void *recvbuf, int recvcount,
+                 MPI_Datatype recvtype, int root, MPI_Comm comm)
 {
   int n = recvcount * stubtypesize(recvtype);
 

From bfaa2e9ee12a7a5ede526e353e7b9f467d4df3b0 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Mon, 26 Nov 2018 11:24:48 -0700
Subject: [PATCH 173/273] more adjustments to style pages

---
 doc/src/Run_options.txt    | 18 +++++++++---------
 doc/src/angle_coeff.txt    | 24 ++++++------------------
 doc/src/bond_coeff.txt     | 24 ++++++------------------
 doc/src/dihedral_coeff.txt | 24 +++++++-----------------
 doc/src/improper_coeff.txt | 22 +++++++---------------
 doc/src/pair_coeff.txt     | 17 ++---------------
 6 files changed, 37 insertions(+), 92 deletions(-)

diff --git a/doc/src/Run_options.txt b/doc/src/Run_options.txt
index 742d38d456..98b6f92cbc 100644
--- a/doc/src/Run_options.txt
+++ b/doc/src/Run_options.txt
@@ -363,20 +363,20 @@ run:
 read_restart restartfile (remap)
 write_data datafile keyword value ... :pre
 
-Note that the specified restartfile and/or datafile can have the
-wild-card character "*".  The restartfile can also have the wild-card
-character "%".  The meaning of these characters is explained on the
+The specified restartfile and/or datafile can have the wild-card
+character "*".  The restartfile can also have the wild-card character
+"%".  The meaning of these characters is explained on the
 "read_restart"_read_restart.html and "write_data"_write_data.html doc
 pages.  The use of "%" means that a parallel restart file can be read.
 Note that a filename such as file.* will need to be enclosed in quotes
 to avoid shell expansion of the "*" character.
 
-Note that following restartfile, the optional word "remap" can be
-used.  This has the effect of adding it to the
-"read_restart"_read_restart.html command, as explained on its doc
-page.  This is useful if reading the restart file triggers an error
-that atoms have been lost.  In that case, use of the remap flag should
-allow the data file to still be produced.
+Following restartfile, the optional word "remap" can be used.  This
+has the effect of adding it to the "read_restart"_read_restart.html
+command, as explained on its doc page.  This is useful if reading the
+restart file triggers an error that atoms have been lost.  In that
+case, use of the remap flag should allow the data file to still be
+produced.
 
 The syntax following restartfile (or remap), namely
 
diff --git a/doc/src/angle_coeff.txt b/doc/src/angle_coeff.txt
index 4c217bae7d..5dc9c13381 100644
--- a/doc/src/angle_coeff.txt
+++ b/doc/src/angle_coeff.txt
@@ -60,26 +60,14 @@ doc page for details.
 
 :line
 
-Here is an alphabetic list of angle styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "angle_coeff"_angle_coeff.html command.
-
-Note that there are also additional angle styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-angle styles is on the "Commands bond"_Commands_bond.html#angle doc
+The list of all angle styles defined in LAMMPS is given on the
+"angle_style"_angle_style.html doc page.  They are also listed in more
+compact form on the "Commands angle"_Commands_bond.html#angle doc
 page.
 
-"angle_style none"_angle_none.html - turn off angle interactions
-"angle_style hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul
-
-"angle_style charmm"_angle_charmm.html - CHARMM angle
-"angle_style class2"_angle_class2.html - COMPASS (class 2) angle
-"angle_style cosine"_angle_cosine.html - cosine angle potential
-"angle_style cosine/delta"_angle_cosine_delta.html - difference of cosines angle potential
-"angle_style cosine/periodic"_angle_cosine_periodic.html - DREIDING angle
-"angle_style cosine/squared"_angle_cosine_squared.html - cosine squared angle potential
-"angle_style harmonic"_angle_harmonic.html - harmonic angle
-"angle_style table"_angle_table.html - tabulated by angle :ul
+On either of those pages, click on the style to display the formula it
+computes and its coefficients as specified by the associated
+angle_coeff command.
 
 :line
 
diff --git a/doc/src/bond_coeff.txt b/doc/src/bond_coeff.txt
index 7485fa3d8d..1280ae3fb0 100644
--- a/doc/src/bond_coeff.txt
+++ b/doc/src/bond_coeff.txt
@@ -56,25 +56,13 @@ corresponds to the 1st example above would be listed as
 
 :line
 
-Here is an alphabetic list of bond styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "bond_coeff"_bond_coeff.html command.
+The list of all bond styles defined in LAMMPS is given on the
+"bond_style"_bond_style.html doc page.  They are also listed in more
+compact form on the "Commands bond"_Commands_bond.html doc page.
 
-Note that here are also additional bond styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-bond styles is on the "Commands bond"_Commands_bond.html doc page.
-
-"bond_style none"_bond_none.html - turn off bonded interactions
-"bond_style hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul
-
-"bond_style class2"_bond_class2.html - COMPASS (class 2) bond
-"bond_style fene"_bond_fene.html - FENE (finite-extensible non-linear elastic) bond
-"bond_style fene/expand"_bond_fene_expand.html - FENE bonds with variable size particles
-"bond_style harmonic"_bond_harmonic.html - harmonic bond
-"bond_style morse"_bond_morse.html - Morse bond
-"bond_style nonlinear"_bond_nonlinear.html - nonlinear bond
-"bond_style quartic"_bond_quartic.html - breakable quartic bond
-"bond_style table"_bond_table.html - tabulated by bond length :ul
+On either of those pages, click on the style to display the formula it
+computes and its coefficients as specified by the associated
+bond_coeff command.
 
 :line
 
diff --git a/doc/src/dihedral_coeff.txt b/doc/src/dihedral_coeff.txt
index 1db69e40d5..718a73144e 100644
--- a/doc/src/dihedral_coeff.txt
+++ b/doc/src/dihedral_coeff.txt
@@ -69,24 +69,14 @@ necessary.
 
 :line
 
-Here is an alphabetic list of dihedral styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "dihedral_coeff"_dihedral_coeff.html command.
+The list of all dihedral styles defined in LAMMPS is given on the
+"dihedral_style"_dihedral_style.html doc page.  They are also listed
+in more compact form on the "Commands
+dihedral"_Commands_bond.html#dihedral doc page.
 
-Note that there are also additional dihedral styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-dihedral styles is on the "Commands bond"_Commands_bond.html#dihedral
-doc page.
-
-"dihedral_style none"_dihedral_none.html - turn off dihedral interactions
-"dihedral_style hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul
-
-"dihedral_style charmm"_dihedral_charmm.html - CHARMM dihedral
-"dihedral_style class2"_dihedral_class2.html - COMPASS (class 2) dihedral
-"dihedral_style harmonic"_dihedral_harmonic.html - harmonic dihedral
-"dihedral_style helix"_dihedral_helix.html - helix dihedral
-"dihedral_style multi/harmonic"_dihedral_multi_harmonic.html - multi-harmonic dihedral
-"dihedral_style opls"_dihedral_opls.html - OPLS dihedral :ul
+On either of those pages, click on the style to display the formula it
+computes and its coefficients as specified by the associated
+dihedral_coeff command.
 
 :line
 
diff --git a/doc/src/improper_coeff.txt b/doc/src/improper_coeff.txt
index 8ed65f9535..1d2083d7ad 100644
--- a/doc/src/improper_coeff.txt
+++ b/doc/src/improper_coeff.txt
@@ -62,22 +62,14 @@ page for details.
 
 :line
 
-Here is an alphabetic list of improper styles defined in LAMMPS.  Click on
-the style to display the formula it computes and coefficients
-specified by the associated "improper_coeff"_improper_coeff.html command.
+The list of all improper styles defined in LAMMPS is given on the
+"improper_style"_improper_style.html doc page.  They are also listed
+in more compact form on the "Commands
+improper"_Commands_bond.html#improper doc page.
 
-Note that there are also additional improper styles submitted by users
-which are included in the LAMMPS distribution.  The full list of all
-improper styles is on the "Commands bond"_Commands_bond.html#improper
-doc page.
-
-"improper_style none"_improper_none.html - turn off improper interactions
-"improper_style hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul
-
-"improper_style class2"_improper_class2.html - COMPASS (class 2) improper
-"improper_style cvff"_improper_cvff.html - CVFF improper
-"improper_style harmonic"_improper_harmonic.html - harmonic improper
-"improper_style umbrella"_improper_umbrella.html - DREIDING improper :ul
+On either of those pages, click on the style to display the formula it
+computes and its coefficients as specified by the associated
+improper_coeff command.
 
 :line
 
diff --git a/doc/src/pair_coeff.txt b/doc/src/pair_coeff.txt
index be2699285f..a1bbf94e83 100644
--- a/doc/src/pair_coeff.txt
+++ b/doc/src/pair_coeff.txt
@@ -114,21 +114,8 @@ The alphabetic list of pair styles defined in LAMMPS is given on the
 "pair_style"_pair_style.html doc page.  They are also listed in more
 compact form on the "Commands pair"_Commands_pair.html doc page.
 
-Click on the style to display the formula it computes, arguments
-specified in the pair_style command, and coefficients specified by the
-associated "pair_coeff"_pair_coeff.html command.
-
-Note that there are also additional pair styles (not listed on the
-"pair_style"_pair_style.html doc page) submitted by users which are
-included in the LAMMPS distribution.  The full list of all pair styles
-is on the "Commands pair"_Commands_pair.html doc page.
-
-There are also additional accelerated pair styles (not listed on the
-"pair_style"_pair_style.html doc page) included in the LAMMPS
-distribution for faster performance on CPUs, GPUs, and KNLs.  The
-individual style names on the "Commands pair"_Commands_pair.html doc
-page are followed by one or more of (g,i,k,o,t) to indicate which
-accelerated styles exist.
+Click on the style to display the formula it computes and its
+coefficients as specified by the associated pair_coeff command.
 
 :line
 

From cce874dfb496024854b0b1ee146cae0bd9f512b9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 14:28:57 -0500
Subject: [PATCH 174/273] step version number to 27 November 2018

---
 doc/src/Manual.txt | 4 ++--
 src/version.h      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index f41759ef70..d6202f684a 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="15 Nov 2018 version">
+<META NAME="docnumber" CONTENT="27 Nov 2018 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-15 Nov 2018 version :c,h2
+27 Nov 2018 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/src/version.h b/src/version.h
index 162fb8916f..d907ef2b85 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "15 Nov 2018"
+#define LAMMPS_VERSION "27 Nov 2018"

From 79b3e9e27d08ff51bccecf182665304908823d8e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 14:46:39 -0500
Subject: [PATCH 175/273] some clarifications and corrections on the wildcard
 command line docs

---
 doc/src/Run_options.txt | 55 ++++++++++++++++++++++-------------------
 1 file changed, 29 insertions(+), 26 deletions(-)

diff --git a/doc/src/Run_options.txt b/doc/src/Run_options.txt
index 98b6f92cbc..9c12b3ff24 100644
--- a/doc/src/Run_options.txt
+++ b/doc/src/Run_options.txt
@@ -354,29 +354,31 @@ the LAMMPS simulation domain.
 
 :line
 
-[-restart2data restartfile (remap) datafile keyword value ...] :link(restart2data)
+[-restart2data restartfile \[remap\] datafile keyword value ...]
+:link(restart2data)
 
 Convert the restart file into a data file and immediately exit.  This
 is the same operation as if the following 2-line input script were
 run:
 
-read_restart restartfile (remap)
+read_restart restartfile \[remap\]
 write_data datafile keyword value ... :pre
 
-The specified restartfile and/or datafile can have the wild-card
-character "*".  The restartfile can also have the wild-card character
-"%".  The meaning of these characters is explained on the
+The specified restartfile and/or datafile name may contain the wild-card
+character "*".  The restartfile name may also contain the wild-card
+character "%".  The meaning of these characters is explained on the
 "read_restart"_read_restart.html and "write_data"_write_data.html doc
 pages.  The use of "%" means that a parallel restart file can be read.
-Note that a filename such as file.* will need to be enclosed in quotes
-to avoid shell expansion of the "*" character.
+Note that a filename such as file.* may need to be enclosed in quotes or
+the "*" character prefixed with a backslash ("\") to avoid shell
+expansion of the "*" character.
 
-Following restartfile, the optional word "remap" can be used.  This
-has the effect of adding it to the "read_restart"_read_restart.html
-command, as explained on its doc page.  This is useful if reading the
-restart file triggers an error that atoms have been lost.  In that
-case, use of the remap flag should allow the data file to still be
-produced.
+Following restartfile argument, the optional word "remap" may be used.
+This has the same effect like adding it to a
+"read_restart"_read_restart.html command, and operates as explained on
+its doc page.  This is useful if reading the restart file triggers an
+error that atoms have been lost.  In that case, use of the remap flag
+should allow the data file to still be produced.
 
 The syntax following restartfile (or remap), namely
 
@@ -388,29 +390,30 @@ optional keyword/value settings.
 
 :line
 
-[-restart2dump restartfile (remap) group-ID dumpstyle dumpfile arg1 arg2 ...] :link(restart2dump)
+[-restart2dump restartfile \[remap\] group-ID dumpstyle dumpfile arg1 arg2 ...] :link(restart2dump)
 
 Convert the restart file into a dump file and immediately exit.  This
 is the same operation as if the following 2-line input script were
 run:
 
-read_restart restartfile (remap)
+read_restart restartfile \[remap\]
 write_dump group-ID dumpstyle dumpfile arg1 arg2 ... :pre
 
-Note that the specified restartfile and dumpfile can have wild-card
-characters ("*","%") as explained on the
+Note that the specified restartfile and dumpfile names may contain
+wild-card characters ("*","%") as explained on the
 "read_restart"_read_restart.html and "write_dump"_write_dump.html doc
 pages.  The use of "%" means that a parallel restart file and/or
 parallel dump file can be read and/or written.  Note that a filename
-such as file.* will need to be enclosed in quotes to avoid shell
-expansion of the "*" character.
+such as file.* may need to be enclosed in quotes or the "*" character
+prefixed with a backslash ("\") to avoid shell expansion of the "*"
+character.
 
-Note that following restartfile, the optional word "remap" can be
-used.  This has the effect as adding it to the
-"read_restart"_read_restart.html command, as explained on its doc
-page.  This is useful if reading the restart file triggers an error
-that atoms have been lost.  In that case, use of the remap flag should
-allow the dump file to still be produced.
+Note that following the restartfile argument, the optional word "remap"
+can be used.  This has the effect as adding it to the
+"read_restart"_read_restart.html command, as explained on its doc page.
+This is useful if reading the restart file triggers an error that atoms
+have been lost.  In that case, use of the remap flag should allow the
+dump file to still be produced.
 
 The syntax following restartfile (or remap), namely
 
@@ -524,7 +527,7 @@ option is equivalent to putting the line "variable name index value1
 value2 ..."  at the beginning of the input script.  Defining an index
 variable as a command-line argument overrides any setting for the same
 index variable in the input script, since index variables cannot be
-re-defined.  
+re-defined.
 
 See the "variable"_variable.html command for more info on defining
 index and other kinds of variables and the "Commands

From 4434481c91f9449a71f786ff735c06d64f110e5e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 14:48:53 -0500
Subject: [PATCH 176/273] remove trailing whitespace in manual source files

---
 doc/src/Build_basics.txt                |   4 +-
 doc/src/Build_cmake.txt                 |   2 +-
 doc/src/Build_extras.txt                |  34 ++---
 doc/src/Build_settings.txt              |  22 +--
 doc/src/Build_windows.txt               |   6 +-
 doc/src/Errors.txt                      |   2 +-
 doc/src/Howto_bash.txt                  |   6 +-
 doc/src/Howto_body.txt                  |   4 +-
 doc/src/Howto_client_server.txt         |   8 +-
 doc/src/Howto_library.txt               |   2 +-
 doc/src/Howto_spins.txt                 |  54 +++----
 doc/src/Install_linux.txt               |   2 +-
 doc/src/Install_patch.txt               |   2 +-
 doc/src/Intro_authors.txt               |   2 +-
 doc/src/Intro_features.txt              |   6 +-
 doc/src/Manual_build.txt                |   2 +-
 doc/src/Packages_details.txt            |  56 +++----
 doc/src/Speed_intel.txt                 |  14 +-
 doc/src/Speed_kokkos.txt                |   8 +-
 doc/src/Tools.txt                       |   2 +-
 doc/src/angle_cosine_buck6d.txt         |  12 +-
 doc/src/angle_cosine_shift.txt          |   2 +-
 doc/src/atom_style.txt                  |   8 +-
 doc/src/bond_style.txt                  |   2 +-
 doc/src/compute.txt                     | 120 +++++++--------
 doc/src/compute_angle_local.txt         |   2 +-
 doc/src/compute_chunk_spread_atom.txt   |  22 +--
 doc/src/compute_edpd_temp_atom.txt      |   2 +-
 doc/src/compute_entropy_atom.txt        |  34 ++---
 doc/src/compute_pressure_cylinder.txt   |   6 +-
 doc/src/compute_property_atom.txt       |   2 +-
 doc/src/compute_sna_atom.txt            |   2 +-
 doc/src/compute_spin.txt                |  16 +-
 doc/src/compute_stress_mop.txt          |   8 +-
 doc/src/compute_tdpd_cc_atom.txt        |   4 +-
 doc/src/compute_temp_uef.txt            |   8 +-
 doc/src/create_bonds.txt                |   2 +-
 doc/src/dihedral_table_cut.txt          |   2 +-
 doc/src/dump_cfg_uef.txt                |   6 +-
 doc/src/fix.txt                         | 190 ++++++++++++------------
 doc/src/fix_bocs.txt                    |  48 +++---
 doc/src/fix_client_md.txt               |   2 +-
 doc/src/fix_deform.txt                  |   2 +-
 doc/src/fix_dt_reset.txt                |   2 +-
 doc/src/fix_gcmc.txt                    |   4 +-
 doc/src/fix_langevin_spin.txt           |  24 +--
 doc/src/fix_latte.txt                   |   4 +-
 doc/src/fix_modify.txt                  |   2 +-
 doc/src/fix_msst.txt                    |   2 +-
 doc/src/fix_nve_dot.txt                 |   2 +-
 doc/src/fix_nve_dotc_langevin.txt       |  14 +-
 doc/src/fix_nve_spin.txt                |  12 +-
 doc/src/fix_poems.txt                   |   2 +-
 doc/src/fix_precession_spin.txt         |  32 ++--
 doc/src/fix_rigid_meso.txt              |   2 +-
 doc/src/improper_inversion_harmonic.txt |  12 +-
 doc/src/kspace_modify.txt               |   6 +-
 doc/src/kspace_style.txt                |   2 +-
 doc/src/message.txt                     |   2 +-
 doc/src/package.txt                     |   2 +-
 doc/src/pair_airebo.txt                 |   2 +-
 doc/src/pair_buck6d_coul_gauss.txt      |  58 ++++----
 doc/src/pair_cs.txt                     |   2 +-
 doc/src/pair_extep.txt                  |   4 +-
 doc/src/pair_ilp_graphene_hbn.txt       |   2 +-
 doc/src/pair_kolmogorov_crespi_full.txt |   2 +-
 doc/src/pair_meam.txt                   |   2 +-
 doc/src/pair_meso.txt                   |  16 +-
 doc/src/pair_oxdna.txt                  |   8 +-
 doc/src/pair_oxdna2.txt                 |   6 +-
 doc/src/pair_spin_dmi.txt               |  30 ++--
 doc/src/pair_spin_exchange.txt          |  26 ++--
 doc/src/pair_spin_magelec.txt           |   4 +-
 doc/src/pair_spin_neel.txt              |   6 +-
 doc/src/pair_style.txt                  |  72 ++++-----
 doc/src/pair_ufm.txt                    |   2 +-
 doc/src/read_data.txt                   |   2 +-
 doc/src/server.txt                      |   2 +-
 doc/src/server_mc.txt                   |   6 +-
 doc/src/server_md.txt                   |   2 +-
 doc/src/set.txt                         |  10 +-
 doc/src/temper_npt.txt                  |   4 +-
 doc/src/write_data.txt                  |   2 +-
 83 files changed, 568 insertions(+), 568 deletions(-)

diff --git a/doc/src/Build_basics.txt b/doc/src/Build_basics.txt
index 47801890c4..90a91db60f 100644
--- a/doc/src/Build_basics.txt
+++ b/doc/src/Build_basics.txt
@@ -49,7 +49,7 @@ make mybox :pre         # uses Makefile.mybox to produce lmp_mybox :pre
 
 Serial build (see src/MAKE/Makefile.serial):
 
-MPI_INC =       -I../STUBS 
+MPI_INC =       -I../STUBS
 MPI_PATH =      -L../STUBS
 MPI_LIB =	-lmpi_stubs :pre
 
@@ -172,7 +172,7 @@ want.
 Parallel build (see src/MAKE/Makefile.mpi):
 
 CC =		mpicxx
-CCFLAGS =	-g -O3 
+CCFLAGS =	-g -O3
 LINK =		mpicxx
 LINKFLAGS =	-g -O :pre
 
diff --git a/doc/src/Build_cmake.txt b/doc/src/Build_cmake.txt
index f8b52056fc..1406d290f5 100644
--- a/doc/src/Build_cmake.txt
+++ b/doc/src/Build_cmake.txt
@@ -27,7 +27,7 @@ make command to build LAMMPS, which uses the created
 Makefile(s). Example:
 
 cd lammps                        # change to the LAMMPS distribution directory
-mkdir build; cd build            # create a new directory (folder) for build       
+mkdir build; cd build            # create a new directory (folder) for build
 cmake ../cmake \[options ...\]   # configuration with (command-line) cmake
 make                             # compilation :pre
 
diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 4377981662..bc03b5c8ce 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -64,7 +64,7 @@ available on your system.
 
 If CMake cannot find the library, you can set these variables:
 
--D ZLIB_INCLUDE_DIR=path    # path to zlib.h header file 
+-D ZLIB_INCLUDE_DIR=path    # path to zlib.h header file
 -D ZLIB_LIBRARIES=path      # path to libz.a (.so) file :pre
 
 [Traditional make]:
@@ -151,7 +151,7 @@ package uses the library settings from the lib/gpu/Makefile.machine
 used to build the GPU library.
 
 :line
- 
+
 KIM package :h4,link(kim)
 
 To build with this package, the KIM library must be downloaded and
@@ -178,7 +178,7 @@ package?" page.
 [CMake build]:
 
 -D DOWNLOAD_KIM=value    # download OpenKIM API v1 for build, value = no (default) or yes
--D KIM_LIBRARY=path      # KIM library file (only needed if a custom location) 
+-D KIM_LIBRARY=path      # KIM library file (only needed if a custom location)
 -D KIM_INCLUDE_DIR=path  # KIM include directory (only needed if a custom location) :pre
 
 If DOWNLOAD_KIM is set, the KIM library will be downloaded and built
@@ -255,7 +255,7 @@ For NVIDIA GPUs using CUDA, set these 4 variables:
 -D KOKKOS_ARCH="archCPU;archGPU"   # archCPU = CPU from list above that is hosting the GPU
                                    # archGPU = GPU from list above
 -D KOKKOS_ENABLE_CUDA=yes
--D KOKKOS_ENABLE_OPENMP=yes 
+-D KOKKOS_ENABLE_OPENMP=yes
 -D CMAKE_CXX_COMPILER=wrapper      # wrapper = full path to Cuda nvcc wrapper :pre
 
 The wrapper value is the Cuda nvcc compiler wrapper provided in the
@@ -297,7 +297,7 @@ export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
 CC =		mpicxx :pre
 
 :line
- 
+
 LATTE package :h4,link(latte)
 
 To build with this package, you must download and build the LATTE
@@ -325,7 +325,7 @@ args:
 make lib-latte                          # print help message
 make lib-latte args="-b"                # download and build in lib/latte/LATTE-master
 make lib-latte args="-p $HOME/latte"    # use existing LATTE installation in $HOME/latte
-make lib-latte args="-b -m gfortran"    # download and build in lib/latte and 
+make lib-latte args="-b -m gfortran"    # download and build in lib/latte and
                                         #   copy Makefile.lammps.gfortran to Makefile.lammps
 :pre
 
@@ -336,7 +336,7 @@ also check that the Makefile.lammps file you create is appropriate for
 the compiler you use on your system to build LATTE.
 
 :line
- 
+
 MEAM package :h4,link(meam)
 
 NOTE: the use of the MEAM package is discouraged, as it has been
@@ -379,7 +379,7 @@ EXTRAMAKE variable to specify a corresponding Makefile.lammps.machine
 file.
 
 :line
- 
+
 MESSAGE package :h4,link(message)
 
 This package can optionally include support for messaging via sockets,
@@ -408,7 +408,7 @@ existing Makefile.lammps.* and has settings to link with the ZeroMQ
 library if requested in the build.
 
 :line
- 
+
 MSCG package :h4,link(mscg)
 
 To build with this package, you must download and build the MS-CG
@@ -420,7 +420,7 @@ lib/mscg/README and MSCG/Install files for more details.
 [CMake build]:
 
 -D DOWNLOAD_MSCG=value    # download MSCG for build, value = no (default) or yes
--D MSCG_LIBRARY=path      # MSCG library file (only needed if a custom location) 
+-D MSCG_LIBRARY=path      # MSCG library file (only needed if a custom location)
 -D MSCG_INCLUDE_DIR=path  # MSCG include directory (only needed if a custom location) :pre
 
 If DOWNLOAD_MSCG is set, the MSCG library will be downloaded and built
@@ -465,7 +465,7 @@ line of your Makefile.machine.  See src/MAKE/OPTIONS/Makefile.opt for
 an example.
 
 :line
- 
+
 POEMS package :h4,link(poems)
 
 [CMake build]:
@@ -494,7 +494,7 @@ for your system, which should define an EXTRAMAKE variable to specify
 a corresponding Makefile.lammps.machine file.
 
 :line
- 
+
 PYTHON package :h4,link(python)
 
 Building with the PYTHON package requires you have a Python shared
@@ -521,7 +521,7 @@ Makefile.lammps.* file (and copy it to Makefile.lammps) if the LAMMPS
 build fails.
 
 :line
- 
+
 REAX package :h4,link(reax)
 
 NOTE: the use of the REAX package and its "pair_style
@@ -571,7 +571,7 @@ library"_voro-home.
 [CMake build]:
 
 -D DOWNLOAD_VORO=value    # download Voro++ for build, value = no (default) or yes
--D VORO_LIBRARY=path      # Voro++ library file (only needed if at custom location) 
+-D VORO_LIBRARY=path      # Voro++ library file (only needed if at custom location)
 -D VORO_INCLUDE_DIR=path  # Voro++ include directory (only needed if at custom location) :pre
 
 If DOWNLOAD_VORO is set, the Voro++ library will be downloaded and
@@ -791,7 +791,7 @@ settings suitable for LAMMPS to compile and link PLUMED in the desired
 linkage mode. After this step is completed, you can install the
 USER-PLUMED package and compile LAMMPS in the usual manner:
 
-make yes-user-plumed 
+make yes-user-plumed
 make machine :pre
 
 Once this compilation completes you should be able to run LAMMPS in the
@@ -967,7 +967,7 @@ Quantum ESPRESSO known to work with this QM/MM interface was version
 [CMake build]:
 
 The CMake build system currently does not support building the full
-QM/MM-capable hybrid executable of LAMMPS and QE called pwqmmm.x.  
+QM/MM-capable hybrid executable of LAMMPS and QE called pwqmmm.x.
 You must use the traditional make build for this package.
 
 [Traditional make]:
@@ -1037,7 +1037,7 @@ Coulomb solver library"_scafacos-home
 [CMake build]:
 
 -D DOWNLOAD_SCAFACOS=value    # download ScaFaCoS for build, value = no (default) or yes
--D SCAFACOS_LIBRARY=path      # ScaFaCos library file (only needed if at custom location) 
+-D SCAFACOS_LIBRARY=path      # ScaFaCos library file (only needed if at custom location)
 -D SCAFACOS_INCLUDE_DIR=path  # ScaFaCoS include directory (only needed if at custom location) :pre
 
 If DOWNLOAD_SCAFACOS is set, the ScaFaCoS library will be downloaded
diff --git a/doc/src/Build_settings.txt b/doc/src/Build_settings.txt
index c871d4ab42..f1db9f0130 100644
--- a/doc/src/Build_settings.txt
+++ b/doc/src/Build_settings.txt
@@ -22,7 +22,7 @@ explain how to do this for building both with CMake and make.
 "Error handling exceptions"_#exceptions when using LAMMPS as a library :all(b)
 
 :line
- 
+
 FFT library :h4,link(fft)
 
 When the KSPACE package is included in a LAMMPS build, the
@@ -73,7 +73,7 @@ FFT_LIB with the appropriate FFT libraries to include in the link.
 The "KISS FFT library"_http://kissfft.sf.net is included in the LAMMPS
 distribution.  It is portable across all platforms.  Depending on the
 size of the FFTs and the number of processors used, the other
-libraries listed here can be faster.  
+libraries listed here can be faster.
 
 However, note that long-range Coulombics are only a portion of the
 per-timestep CPU cost, FFTs are only a portion of long-range
@@ -92,7 +92,7 @@ Building FFTW for your box should be as simple as ./configure; make;
 make install.  The install command typically requires root privileges
 (e.g. invoke it via sudo), unless you specify a local directory with
 the "--prefix" option of configure.  Type "./configure --help" to see
-various options. 
+various options.
 
 The Intel MKL math library is part of the Intel compiler suite.  It
 can be used with the Intel or GNU compiler (see FFT_LIB setting above).
@@ -143,12 +143,12 @@ LMP_INC = -DLAMMPS_SMALLBIG    # or -DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :pre
 [CMake and make info]:
 
 The default "smallbig" setting allows for simulations with:
- 
+
 total atom count = 2^63 atoms (about 9e18)
 total timesteps = 2^63 (about 9e18)
 atom IDs = 2^31 (about 2 billion)
 image flags = roll over at 512 :ul
-  
+
 The "bigbig" setting increases the latter two limits.  It allows for:
 
 total atom count = 2^63 atoms (about 9e18)
@@ -209,12 +209,12 @@ Usually these settings are all that is needed.  If CMake cannot find
 the graphics header, library, executable files, you can set these
 variables:
 
--D JPEG_INCLUDE_DIR=path    # path to jpeglib.h header file 
--D JPEG_LIBRARIES=path      # path to libjpeg.a (.so) file 
--D PNG_INCLUDE_DIR=path     # path to png.h header file 
--D PNG_LIBRARIES=path       # path to libpng.a (.so) file 
--D ZLIB_INCLUDE_DIR=path    # path to zlib.h header file 
--D ZLIB_LIBRARIES=path      # path to libz.a (.so) file 
+-D JPEG_INCLUDE_DIR=path    # path to jpeglib.h header file
+-D JPEG_LIBRARIES=path      # path to libjpeg.a (.so) file
+-D PNG_INCLUDE_DIR=path     # path to png.h header file
+-D PNG_LIBRARIES=path       # path to libpng.a (.so) file
+-D ZLIB_INCLUDE_DIR=path    # path to zlib.h header file
+-D ZLIB_LIBRARIES=path      # path to libz.a (.so) file
 -D FFMPEG_EXECUTABLE=path   # path to ffmpeg executable :pre
 
 [Makefile.machine settings]:
diff --git a/doc/src/Build_windows.txt b/doc/src/Build_windows.txt
index 6ac6f52d54..bf1ec265a1 100644
--- a/doc/src/Build_windows.txt
+++ b/doc/src/Build_windows.txt
@@ -53,14 +53,14 @@ are included, but may not always up-to-date for recently added functionality
 and the corresponding new code. A machine makefile for using cygwin for
 the old build system is provided. The CMake build system is untested
 for this; you will have to request that makefiles are generated and
-manually set the compiler.  
+manually set the compiler.
 
 When compiling for Windows [not] set the -DLAMMPS_MEMALIGN define
 in the LMP_INC makefile variable and add -lwsock32 -lpsapi to the linker
-flags in LIB makefile variable. Try adding -static-libgcc or -static or 
+flags in LIB makefile variable. Try adding -static-libgcc or -static or
 both to the linker flags when your resulting LAMMPS Windows executable
 complains about missing .dll files. The CMake configuration should set
-this up automatically, but is untested. 
+this up automatically, but is untested.
 
 In case of problems, you are recommended to contact somebody with
 experience in using cygwin.  If you do come across portability problems
diff --git a/doc/src/Errors.txt b/doc/src/Errors.txt
index 10f84874a3..0489d228bd 100644
--- a/doc/src/Errors.txt
+++ b/doc/src/Errors.txt
@@ -32,7 +32,7 @@ END_RST -->
 
 "Common problems"_Errors_common.html
 "Reporting bugs"_Errors_bugs.html
-"Error messages"_Errors_messages.html 
+"Error messages"_Errors_messages.html
 "Warning messages"_Errors_warnings.html :all(b)
 
 <!-- END_HTML_ONLY -->
diff --git a/doc/src/Howto_bash.txt b/doc/src/Howto_bash.txt
index f1438418e7..b6e1a65b01 100755
--- a/doc/src/Howto_bash.txt
+++ b/doc/src/Howto_bash.txt
@@ -40,7 +40,7 @@ Install Windows Subsystem for Linux :h5
 Next you must ensure that the Window Subsystem for Linux is installed. Again,
 search for "enable windows features" in the Settings dialog. This opens a
 dialog with a list of features you can install. Add a checkmark to Windows
-Subsystem for Linux (Beta) and press OK.   
+Subsystem for Linux (Beta) and press OK.
 
 :image(JPG/bow_tutorial_04_small.png,JPG/bow_tutorial_04.png)
 :image(JPG/bow_tutorial_05.png,JPG/bow_tutorial_05.png)
@@ -54,12 +54,12 @@ enter. This will then download Ubuntu for Windows.
 
 :image(JPG/bow_tutorial_06.png)
 :image(JPG/bow_tutorial_07.png)
-  
+
 During installation, you will be asked for a new password. This will be used
 for installing new software and running commands with sudo.
 
 :image(JPG/bow_tutorial_08.png)
- 
+
 Type exit to close the command-line window.
 
 Go to the Start menu and type "bash" again. This time you will see a "Bash on
diff --git a/doc/src/Howto_body.txt b/doc/src/Howto_body.txt
index 3e7db9bc8e..7cbdf95315 100644
--- a/doc/src/Howto_body.txt
+++ b/doc/src/Howto_body.txt
@@ -132,7 +132,7 @@ x1 y1 z1
 xN yN zN :pre
 
 where M = 6 + 3*N, and N is the number of sub-particles in the body
-particle.  
+particle.
 
 The integer line has a single value N.  The floating point line(s)
 list 6 moments of inertia followed by the coordinates of the N
@@ -315,7 +315,7 @@ x1 y1 z1
 ...
 xN yN zN
 0 1
-1 2 
+1 2
 2 3
 ...
 0 1 2 -1
diff --git a/doc/src/Howto_client_server.txt b/doc/src/Howto_client_server.txt
index 5875a48744..61d99f7572 100644
--- a/doc/src/Howto_client_server.txt
+++ b/doc/src/Howto_client_server.txt
@@ -75,7 +75,7 @@ examples/COUPLE/lammps_mc
 examples/COUPLE/lammps_vasp :ul
 
 The examples/message dir couples a client instance of LAMMPS to a
-server instance of LAMMPS.  
+server instance of LAMMPS.
 
 The lammps_mc dir shows how to couple LAMMPS as a server to a simple
 Monte Carlo client code as the driver.
@@ -106,13 +106,13 @@ together to exchange MPI messages between them.
 
 For message exchange in {file}, {zmq}, or {mpi/two} modes:
 
-% mpirun -np 1 lmp_mpi -log log.client < in.client & 
+% mpirun -np 1 lmp_mpi -log log.client < in.client &
 % mpirun -np 2 lmp_mpi -log log.server < in.server :pre
 
-% mpirun -np 4 lmp_mpi -log log.client < in.client & 
+% mpirun -np 4 lmp_mpi -log log.client < in.client &
 % mpirun -np 1 lmp_mpi -log log.server < in.server :pre
 
-% mpirun -np 2 lmp_mpi -log log.client < in.client & 
+% mpirun -np 2 lmp_mpi -log log.client < in.client &
 % mpirun -np 4 lmp_mpi -log log.server < in.server :pre
 
 For message exchange in {mpi/one} mode:
diff --git a/doc/src/Howto_library.txt b/doc/src/Howto_library.txt
index 9a9656784c..796c5b2e2d 100644
--- a/doc/src/Howto_library.txt
+++ b/doc/src/Howto_library.txt
@@ -185,7 +185,7 @@ by the same function if the caller needs to know the ordering.  The
 lammps_gather_subset() function allows the caller to request values
 for only a subset of atoms (identified by ID).
 For all 3 gather function, per-atom image flags can be retrieved in 2 ways.
-If the count is specified as 1, they are returned 
+If the count is specified as 1, they are returned
 in a packed format with all three image flags stored in a single integer.
 If the count is specified as 3, the values are unpacked into xyz flags
 by the library before returning them.
diff --git a/doc/src/Howto_spins.txt b/doc/src/Howto_spins.txt
index 88a5fbd86f..7f16883487 100644
--- a/doc/src/Howto_spins.txt
+++ b/doc/src/Howto_spins.txt
@@ -12,48 +12,48 @@ Magnetic spins :h3
 The magnetic spin simulations are enabled by the SPIN package, whose
 implementation is detailed in "Tranchida"_#Tranchida7.
 
-The model represents the simulation of atomic magnetic spins coupled 
-to lattice vibrations. The dynamics of those magnetic spins can be used 
-to simulate a broad range a phenomena related to magneto-elasticity, or 
-or to study the influence of defects on the magnetic properties of 
-materials. 
+The model represents the simulation of atomic magnetic spins coupled
+to lattice vibrations. The dynamics of those magnetic spins can be used
+to simulate a broad range a phenomena related to magneto-elasticity, or
+or to study the influence of defects on the magnetic properties of
+materials.
 
-The magnetic spins are interacting with each others and with the 
-lattice via pair interactions. Typically, the magnetic exchange 
-interaction can be defined using the 
+The magnetic spins are interacting with each others and with the
+lattice via pair interactions. Typically, the magnetic exchange
+interaction can be defined using the
 "pair/spin/exchange"_pair_spin_exchange.html command. This exchange
 applies a magnetic torque to a given spin, considering the orientation
-of its neighboring spins and their relative distances. 
-It also applies a force on the atoms as a function of the spin 
-orientations and their associated inter-atomic distances. 
- 
+of its neighboring spins and their relative distances.
+It also applies a force on the atoms as a function of the spin
+orientations and their associated inter-atomic distances.
+
 The command "fix precession/spin"_fix_precession_spin.html allows to
 apply a constant magnetic torque on all the spins in the system. This
 torque can be an external magnetic field (Zeeman interaction), or an
-uniaxial magnetic anisotropy. 
+uniaxial magnetic anisotropy.
 
-A Langevin thermostat can be applied to those magnetic spins using 
-"fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat 
-can be coupled to another Langevin thermostat applied to the atoms 
-using "fix langevin"_fix_langevin.html in order to simulate 
-thermostatted spin-lattice system. 
+A Langevin thermostat can be applied to those magnetic spins using
+"fix langevin/spin"_fix_langevin_spin.html. Typically, this thermostat
+can be coupled to another Langevin thermostat applied to the atoms
+using "fix langevin"_fix_langevin.html in order to simulate
+thermostatted spin-lattice system.
 
-The magnetic Gilbert damping can also be applied using "fix 
-langevin/spin"_fix_langevin_spin.html. It allows to either dissipate 
-the thermal energy of the Langevin thermostat, or to perform a 
+The magnetic Gilbert damping can also be applied using "fix
+langevin/spin"_fix_langevin_spin.html. It allows to either dissipate
+the thermal energy of the Langevin thermostat, or to perform a
 relaxation of the magnetic configuration toward an equilibrium state.
 
-All the computed magnetic properties can be output by two main 
-commands. The first one is "compute spin"_compute_spin.html, that 
-enables to evaluate magnetic averaged quantities, such as the total 
+All the computed magnetic properties can be output by two main
+commands. The first one is "compute spin"_compute_spin.html, that
+enables to evaluate magnetic averaged quantities, such as the total
 magnetization of the system along x, y, or z, the spin temperature, or
-the magnetic energy. The second command is "compute 
+the magnetic energy. The second command is "compute
 property/atom"_compute_property_atom.html. It enables to output all the
-per atom magnetic quantities. Typically, the orientation of a given 
+per atom magnetic quantities. Typically, the orientation of a given
 magnetic spin, or the magnetic force acting on this spin.
 
 :line
 
 :link(Tranchida7)
-[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, 
+[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
 arXiv preprint arXiv:1801.10233, (2018).
diff --git a/doc/src/Install_linux.txt b/doc/src/Install_linux.txt
index bd22de057c..f1da9de66e 100644
--- a/doc/src/Install_linux.txt
+++ b/doc/src/Install_linux.txt
@@ -89,7 +89,7 @@ the C library interface (lammps-headers), and the LAMMPS python
 module for Python 3. All packages can be installed at the same
 time and the name of the LAMMPS executable is {lmp} in all 3 cases.
 By default, {lmp} will refer to the serial executable, unless
-one of the MPI environment modules is loaded 
+one of the MPI environment modules is loaded
 ("module load mpi/mpich-x86_64" or "module load mpi/openmpi-x86_64").
 Then the corresponding parallel LAMMPS executable is used.
 The same mechanism applies when loading the LAMMPS python module.
diff --git a/doc/src/Install_patch.txt b/doc/src/Install_patch.txt
index ff9b14c12c..40c272d1c8 100644
--- a/doc/src/Install_patch.txt
+++ b/doc/src/Install_patch.txt
@@ -17,7 +17,7 @@ how to stay current are on the "Install git"_Install_git.html and
 If you prefer to download a tarball, as described on the "Install
 git"_Install_tarball.html doc page, you can stay current by
 downloading "patch files" when new patch releases are made.  A link to
-a patch file is posted on the "bug and feature 
+a patch file is posted on the "bug and feature
 page"_http://lammps.sandia.gov/bug.html of the LAMMPS website, along
 with a list of changed files and details about what is in the new patch
 release.  This page explains how to apply the patch file to your local
diff --git a/doc/src/Intro_authors.txt b/doc/src/Intro_authors.txt
index dc41727c05..8f025df96d 100644
--- a/doc/src/Intro_authors.txt
+++ b/doc/src/Intro_authors.txt
@@ -58,7 +58,7 @@ page"_http://lammps.sandia.gov/history.html of the website, LAMMPS
 originated as a cooperative project between DOE labs and industrial
 partners.  Folks involved in the design and testing of the original
 version of LAMMPS were the following:
-    
+
 John Carpenter (Mayo Clinic, formerly at Cray Research)
 Terry Stouch (Lexicon Pharmaceuticals, formerly at Bristol Myers Squibb)
 Steve Lustig (Dupont)
diff --git a/doc/src/Intro_features.txt b/doc/src/Intro_features.txt
index d5e5b7f8b5..66874e79e0 100644
--- a/doc/src/Intro_features.txt
+++ b/doc/src/Intro_features.txt
@@ -110,7 +110,7 @@ Atom creation :h4,link(create)
   displace atoms :ul
 
 Ensembles, constraints, and boundary conditions :h4,link(ensemble)
-("fix"_fix.html command) 
+("fix"_fix.html command)
 
   2d or 3d systems
   orthogonal or non-orthogonal (triclinic symmetry) simulation domains
@@ -128,7 +128,7 @@ Ensembles, constraints, and boundary conditions :h4,link(ensemble)
   variety of additional boundary conditions and constraints :ul
 
 Integrators :h4,link(integrate)
-("run"_run.html, "run_style"_run_style.html, "minimize"_minimize.html commands) 
+("run"_run.html, "run_style"_run_style.html, "minimize"_minimize.html commands)
 
   velocity-Verlet integrator
   Brownian dynamics
@@ -142,7 +142,7 @@ Diagnostics :h4,link(diag)
   see various flavors of the "fix"_fix.html and "compute"_compute.html commands :ul
 
 Output :h4,link(output)
-("dump"_dump.html, "restart"_restart.html commands) 
+("dump"_dump.html, "restart"_restart.html commands)
 
   log file of thermodynamic info
   text dump files of atom coords, velocities, other per-atom quantities
diff --git a/doc/src/Manual_build.txt b/doc/src/Manual_build.txt
index ac12dd7b2e..42c77c4500 100644
--- a/doc/src/Manual_build.txt
+++ b/doc/src/Manual_build.txt
@@ -61,7 +61,7 @@ make pdf          # generate 2 PDF files (Manual.pdf,Developer.pdf)
 make old          # generate old-style HTML pages in old dir via txt2html
 make fetch        # fetch HTML doc pages and 2 PDF files from web site
                   #   as a tarball and unpack into html dir and 2 PDFs
-make epub         # generate LAMMPS.epub in ePUB format using Sphinx 
+make epub         # generate LAMMPS.epub in ePUB format using Sphinx
 make mobi         # generate LAMMPS.mobi in MOBI format using ebook-convert
 make clean        # remove intermediate RST files created by HTML build
 make clean-all    # remove entire build folder and any cached data :pre
diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt
index d6a3e17866..364ff3fe30 100644
--- a/doc/src/Packages_details.txt
+++ b/doc/src/Packages_details.txt
@@ -205,7 +205,7 @@ available on your system.
 
 [Author:] Axel Kohlmeyer (Temple U).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -286,7 +286,7 @@ also the "KOKKOS"_#PKG-KOKKOS package, which has GPU-enabled styles.
 [Authors:] Mike Brown (Intel) while at Sandia and ORNL and Trung Nguyen
 (Northwestern U) while at ORNL.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -354,7 +354,7 @@ API which the "pair_style kim"_pair_kim.html command uses.  He
 developed the pair style in collaboration with Valeriu Smirichinski (U
 Minnesota).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -400,7 +400,7 @@ which was developed by Carter Edwards, Christian Trott, and others at
 Sandia, and which is included in the LAMMPS distribution in
 lib/kokkos.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -548,7 +548,7 @@ and user interface.
 
 [Author:] Greg Wagner (Northwestern U) while at Sandia.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -681,7 +681,7 @@ system.
 library was developed by Jacob Wagner in Greg Voth's group at the
 University of Chicago.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -713,7 +713,7 @@ have styles optimized for CPU performance.
 [Authors:] James Fischer (High Performance Technologies), David Richie,
 and Vincent Natoli (Stone Ridge Technolgy).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -770,7 +770,7 @@ connections at hinge points.
 
 [Author:] Rudra Mukherjee (JPL) while at RPI.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -802,7 +802,7 @@ shared library available on your system, which needs to be a Python 2
 version, 2.6 or later.  Python 3 is not yet supported.  See the
 lib/python/README for more details.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -850,7 +850,7 @@ as bonds are created and destroyed.
 
 [Author:] Aidan Thompson (Sandia).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1023,7 +1023,7 @@ system.
 library was written by Chris Rycroft (Harvard U) while at UC Berkeley
 and LBNL.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1050,7 +1050,7 @@ atomic information to continuum fields.
 
 [Authors:] Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1077,7 +1077,7 @@ model.
 
 [Author:] Ilya Valuev (JIHT, Russia).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1100,7 +1100,7 @@ This package provides "fix bocs"_fix_bocs.html, a modified version
 of "fix npt"_fix_nh.html which includes the pressure correction to
 the barostat as outlined in:
 
-N. J. H. Dunn and W. G. Noid, "Bottom-up coarse-grained models that 
+N. J. H. Dunn and W. G. Noid, "Bottom-up coarse-grained models that
 accurately describe the structure, pressure, and compressibility of
 molecular liquids," J. Chem. Phys. 143, 243148 (2015).
 
@@ -1185,7 +1185,7 @@ and Jerome Henin (LISM, CNRS, Marseille, France), originally for
 the NAMD MD code, but with portability in mind.  Axel Kohlmeyer
 (Temple U) provided the interface to LAMMPS.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#user-colvars on the "Build
@@ -1395,7 +1395,7 @@ system.
 [Author:] Pierre de Buyl (KU Leuven) created both the package and the
 H5MD format.
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1433,7 +1433,7 @@ NOTE: the USER-INTEL package contains styles that require using the
 
 [Author:] Mike Brown (Intel).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1603,17 +1603,17 @@ USER-MOFFF package :link(PKG-USER-MOFFF),h4
 [Contents:]
 
 Pair, angle and improper styles needed to employ the MOF-FF
-force field by Schmid and coworkers with LAMMPS. 
+force field by Schmid and coworkers with LAMMPS.
 MOF-FF is a first principles derived force field with the primary aim
-to simulate MOFs and related porous framework materials, using spherical 
+to simulate MOFs and related porous framework materials, using spherical
 Gaussian charges. It is described in S. Bureekaew et al., Phys. Stat. Sol. B
 2013, 250, 1128-1141.
-For the usage of MOF-FF see the example in the example directory as 
+For the usage of MOF-FF see the example in the example directory as
 well as the "MOF+"_MOFplus website.
 
 :link(MOFplus,https://www.mofplus.org/content/show/MOF-FF)
 
-[Author:] Hendrik Heenen (Technical U of Munich), 
+[Author:] Hendrik Heenen (Technical U of Munich),
 Rochus Schmid (Ruhr-University Bochum).
 
 [Supporting info:]
@@ -1654,7 +1654,7 @@ at
 
 [Author:] Axel Kohlmeyer (Temple U).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1694,7 +1694,7 @@ tools:
 
 [Author:] Lars Pastewka (Karlsruhe Institute of Technology).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1738,7 +1738,7 @@ See src/MAKE/OPTIONS/Makefile.omp for an example.
 Once you have an appropriate Makefile.machine, you can
 install/un-install the package and build LAMMPS in the usual manner:
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1817,7 +1817,7 @@ without changes to LAMMPS itself.
 
 [Author:] Axel Kohlmeyer (Temple U).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1875,7 +1875,7 @@ on your system.
 
 [Author:] Albert Bartok (Cambridge University)
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -1994,7 +1994,7 @@ specified as surface geometries from *.STL files.
 [Author:] Georg Ganzenmuller (Fraunhofer-Institute for High-Speed
 Dynamics, Ernst Mach Institute, Germany).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
@@ -2120,7 +2120,7 @@ system.
 
 [Authors:] Richard Berger (JKU) and Daniel Queteschiner (DCS Computing).
 
-[Install:] 
+[Install:]
 
 This package has "specific installation
 instructions"_Build_extras.html#gpu on the "Build
diff --git a/doc/src/Speed_intel.txt b/doc/src/Speed_intel.txt
index 7ff8d73ae9..da772f29fd 100644
--- a/doc/src/Speed_intel.txt
+++ b/doc/src/Speed_intel.txt
@@ -27,9 +27,9 @@ Bond Styles: fene, fourier, harmonic :l
 Dihedral Styles: charmm, harmonic, opls :l
 Fixes: nve, npt, nvt, nvt/sllod, nve/asphere :l
 Improper Styles: cvff, harmonic :l
-Pair Styles: airebo, airebo/morse, buck/coul/cut, buck/coul/long, 
-buck, dpd, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm, 
-lj/charmm/coul/long, lj/cut, lj/cut/coul/long, lj/long/coul/long, 
+Pair Styles: airebo, airebo/morse, buck/coul/cut, buck/coul/long,
+buck, dpd, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm,
+lj/charmm/coul/long, lj/cut, lj/cut/coul/long, lj/long/coul/long,
 rebo, sw, tersoff :l
 K-Space Styles: pppm, pppm/disp :l
 :ule
@@ -233,12 +233,12 @@ However, if you do not have co-processors on your system, building
 without offload support will produce a smaller binary.
 
 The general requirements for Makefiles with the USER-INTEL package
-are as follows. When using Intel compilers, "-restrict" is required 
-and "-qopenmp" is highly recommended for CCFLAGS and LINKFLAGS. 
+are as follows. When using Intel compilers, "-restrict" is required
+and "-qopenmp" is highly recommended for CCFLAGS and LINKFLAGS.
 CCFLAGS should include "-DLMP_INTEL_USELRT" (unless POSIX Threads
 are not supported in the build environment) and "-DLMP_USE_MKL_RNG"
 (unless Intel Math Kernel Library (MKL) is not available in the build
-environment). For Intel compilers, LIB should include "-ltbbmalloc" 
+environment). For Intel compilers, LIB should include "-ltbbmalloc"
 or if the library is not available, "-DLMP_INTEL_NO_TBB" can be added
 to CCFLAGS. For builds supporting offload, "-DLMP_INTEL_OFFLOAD" is
 required for CCFLAGS and "-qoffload" is required for LINKFLAGS. Other
@@ -399,7 +399,7 @@ the "suffix hybrid intel omp"_suffix.html command can also be used
 within the input script to automatically append the "omp" suffix to
 styles when USER-INTEL styles are not available.
 
-NOTE: For simulations on higher node counts, add "processors * * * 
+NOTE: For simulations on higher node counts, add "processors * * *
 grid numa"_processors.html to the beginning of the input script for
 better scalability.
 
diff --git a/doc/src/Speed_kokkos.txt b/doc/src/Speed_kokkos.txt
index 0a24753a9f..ef193d7401 100644
--- a/doc/src/Speed_kokkos.txt
+++ b/doc/src/Speed_kokkos.txt
@@ -106,10 +106,10 @@ modification to the input script is needed. Alternatively, one can run
 with the KOKKOS package by editing the input script as described
 below.
 
-NOTE: When using a single OpenMP thread, the Kokkos Serial back end (i.e. 
-Makefile.kokkos_mpi_only) will give better performance than the OpenMP 
-back end (i.e. Makefile.kokkos_omp) because some of the overhead to make 
-the code thread-safe is removed. 
+NOTE: When using a single OpenMP thread, the Kokkos Serial back end (i.e.
+Makefile.kokkos_mpi_only) will give better performance than the OpenMP
+back end (i.e. Makefile.kokkos_omp) because some of the overhead to make
+the code thread-safe is removed.
 
 NOTE: The default for the "package kokkos"_package.html command is to
 use "full" neighbor lists and set the Newton flag to "off" for both
diff --git a/doc/src/Tools.txt b/doc/src/Tools.txt
index 1ec4969620..d2e53d8b77 100644
--- a/doc/src/Tools.txt
+++ b/doc/src/Tools.txt
@@ -263,7 +263,7 @@ These tools were provided by Andres Jaramillo-Botero at CalTech
 
 emacs tool :h4,link(emacs)
 
-The tools/emacs directory contains an Emacs Lisp add-on file for GNU Emacs 
+The tools/emacs directory contains an Emacs Lisp add-on file for GNU Emacs
 that enables a lammps-mode for editing input scripts when using GNU Emacs,
 with various highlighting options set up.
 
diff --git a/doc/src/angle_cosine_buck6d.txt b/doc/src/angle_cosine_buck6d.txt
index 686e123ca0..1ce3556ea6 100644
--- a/doc/src/angle_cosine_buck6d.txt
+++ b/doc/src/angle_cosine_buck6d.txt
@@ -23,19 +23,19 @@ The {cosine/buck6d} angle style uses the potential
 
 :c,image(Eqs/angle_cosine_buck6d.jpg)
 
-where K is the energy constant, n is the periodic multiplicity and 
+where K is the energy constant, n is the periodic multiplicity and
 Theta0 is the equilibrium angle.
 
-The coefficients must be defined for each angle type via the 
+The coefficients must be defined for each angle type via the
 "angle_coeff"_angle_coeff.html command as in the example above, or in
 the data file or restart files read by the "read_data"_read_data.html
 or "read_restart"_read_restart.html commands in the following order:
 
 K (energy)
-n 
+n
 Theta0 (degrees) :ul
 
-Theta0 is specified in degrees, but LAMMPS converts it to radians 
+Theta0 is specified in degrees, but LAMMPS converts it to radians
 internally.
 
 Additional to the cosine term the {cosine/buck6d} angle style computes
@@ -51,8 +51,8 @@ the "special_bonds"_special_bonds.html 1-3 interactions to be weighted
 [Restrictions:]
 
 {cosine/buck6d} can only be used in combination with the
-"pair_buck6d"_pair_buck6d_coul_gauss.html style and with a 
-"special_bonds"_special_bonds.html 0.0 weighting of 1-3 interactions.  
+"pair_buck6d"_pair_buck6d_coul_gauss.html style and with a
+"special_bonds"_special_bonds.html 0.0 weighting of 1-3 interactions.
 
 This angle style can only be used if LAMMPS was built with the
 USER-MOFFF package.  See the "Build package"_Build_package.html doc
diff --git a/doc/src/angle_cosine_shift.txt b/doc/src/angle_cosine_shift.txt
index 3a4efad218..65dc0924e5 100644
--- a/doc/src/angle_cosine_shift.txt
+++ b/doc/src/angle_cosine_shift.txt
@@ -63,7 +63,7 @@ instructions on how to use the accelerated styles effectively.
 [Restrictions:]
 
 This angle style can only be used if LAMMPS was built with the
-USER-MISC package.  
+USER-MISC package.
 
 [Related commands:]
 
diff --git a/doc/src/atom_style.txt b/doc/src/atom_style.txt
index ff714e31d9..ff96fedab9 100644
--- a/doc/src/atom_style.txt
+++ b/doc/src/atom_style.txt
@@ -39,7 +39,7 @@ atom_style body nparticle 2 10
 atom_style hybrid charge bond
 atom_style hybrid charge body nparticle 2 5
 atom_style spin
-atom_style template myMols 
+atom_style template myMols
 atom_style tdpd 2 :pre
 
 [Description:]
@@ -309,9 +309,9 @@ force fields"_pair_eff.html.
 The {dpd} style is part of the USER-DPD package for dissipative
 particle dynamics (DPD).
 
-The {edpd}, {mdpd}, and {tdpd} styles are part of the USER-MESO package 
-for energy-conserving dissipative particle dynamics (eDPD), many-body 
-dissipative particle dynamics (mDPD), and transport dissipative particle 
+The {edpd}, {mdpd}, and {tdpd} styles are part of the USER-MESO package
+for energy-conserving dissipative particle dynamics (eDPD), many-body
+dissipative particle dynamics (mDPD), and transport dissipative particle
 dynamics (tDPD), respectively.
 
 The {meso} style is part of the USER-SPH package for smoothed particle
diff --git a/doc/src/bond_style.txt b/doc/src/bond_style.txt
index d603bc28fd..ae19f2369d 100644
--- a/doc/src/bond_style.txt
+++ b/doc/src/bond_style.txt
@@ -89,7 +89,7 @@ accelerated styles exist.
 "morse"_bond_morse.html - Morse bond
 "nonlinear"_bond_nonlinear.html - nonlinear bond
 "oxdna/fene"_bond_oxdna.html - modified FENE bond suitable for DNA modeling
-"oxdna2/fene"_bond_oxdna.html - same as oxdna but used with different pair styles 
+"oxdna2/fene"_bond_oxdna.html - same as oxdna but used with different pair styles
 "quartic"_bond_quartic.html - breakable quartic bond
 "table"_bond_table.html - tabulated by bond length :ul
 
diff --git a/doc/src/compute.txt b/doc/src/compute.txt
index 8c3c5d5dde..4886e73ab6 100644
--- a/doc/src/compute.txt
+++ b/doc/src/compute.txt
@@ -170,14 +170,14 @@ The individual style names on the "Commands
 compute"_Commands_compute.html doc page are followed by one or more of
 (g,i,k,o,t) to indicate which accelerated styles exist.
 
-"ackland/atom"_compute_ackland_atom.html - 
+"ackland/atom"_compute_ackland_atom.html -
 "adf"_compute_adf.html - angular distribution function of triples of atoms
 "aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom
-"angle"_compute_angle.html - 
-"angle/local"_compute_angle_local.html - 
+"angle"_compute_angle.html -
+"angle/local"_compute_angle_local.html -
 "angle/local"_compute_bond_local.html - theta and energy of each angle
 "angmom/chunk"_compute_angmom_chunk.html - angular momentum for each chunk
-"basal/atom"_compute_basal_atom.html - 
+"basal/atom"_compute_basal_atom.html -
 "body/local"_compute_body_local.html - attributes of body sub-particles
 "bond"_compute_bond.html - values computed by a bond style
 "bond/local"_compute_bond_local.html - distance and energy of each bond
@@ -186,48 +186,48 @@ compute"_Commands_compute.html doc page are followed by one or more of
 "chunk/spread/atom"_compute_chunk_spread_atom.html - spreads chunk values to each atom in chunk
 "cluster/atom"_compute_cluster_atom.html - cluster ID for each atom
 "cna/atom"_compute_cna_atom.html - common neighbor analysis (CNA) for each atom
-"cnp/atom"_compute_cnp_atom.html - 
+"cnp/atom"_compute_cnp_atom.html -
 "com"_compute_com.html - center-of-mass of group of atoms
 "com/chunk"_compute_com_chunk.html - center-of-mass for each chunk
 "contact/atom"_compute_contact_atom.html - contact count for each spherical particle
 "coord/atom"_compute_coord_atom.html - coordination number for each atom
 "damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom
-"dihedral"_compute_dihedral.html - 
+"dihedral"_compute_dihedral.html -
 "dihedral/local"_compute_dihedral_local.html - angle of each dihedral
 "dilatation/atom"_compute_dilatation_atom.html - Peridynamic dilatation for each atom
-"dipole/chunk"_compute_dipole_chunk.html - 
+"dipole/chunk"_compute_dipole_chunk.html -
 "displace/atom"_compute_displace_atom.html - displacement of each atom
-"dpd"_compute_dpd.html - 
-"dpd/atom"_compute_dpd_atom.html - 
-"edpd/temp/atom"_compute_edpd_temp_atom.html - 
-"entropy/atom"_compute_entropy_atom.html - 
+"dpd"_compute_dpd.html -
+"dpd/atom"_compute_dpd_atom.html -
+"edpd/temp/atom"_compute_edpd_temp_atom.html -
+"entropy/atom"_compute_entropy_atom.html -
 "erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles
 "erotate/rigid"_compute_erotate_rigid.html - rotational energy of rigid bodies
 "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles
 "erotate/sphere/atom"_compute_erotate_sphere.html - rotational energy for each spherical particle
-"erotate/sphere/atom"_compute_erotate_sphere_atom.html - 
+"erotate/sphere/atom"_compute_erotate_sphere_atom.html -
 "event/displace"_compute_event_displace.html - detect event on atom displacement
-"fep"_compute_fep.html - 
-"force/tally"_compute_tally.html - 
+"fep"_compute_fep.html -
+"force/tally"_compute_tally.html -
 "fragment/atom"_compute_cluster_atom.html - fragment ID for each atom
-"global/atom"_compute_global_atom.html - 
+"global/atom"_compute_global_atom.html -
 "group/group"_compute_group_group.html - energy/force between two groups of atoms
 "gyration"_compute_gyration.html - radius of gyration of group of atoms
 "gyration/chunk"_compute_gyration_chunk.html - radius of gyration for each chunk
 "heat/flux"_compute_heat_flux.html - heat flux through a group of atoms
-"heat/flux/tally"_compute_tally.html - 
+"heat/flux/tally"_compute_tally.html -
 "hexorder/atom"_compute_hexorder_atom.html - bond orientational order parameter q6
-"improper"_compute_improper.html - 
+"improper"_compute_improper.html -
 "improper/local"_compute_improper_local.html - angle of each improper
 "inertia/chunk"_compute_inertia_chunk.html - inertia tensor for each chunk
 "ke"_compute_ke.html - translational kinetic energy
 "ke/atom"_compute_ke_atom.html - kinetic energy for each atom
-"ke/atom/eff"_compute_ke_atom_eff.html - 
-"ke/eff"_compute_ke_eff.html - 
+"ke/atom/eff"_compute_ke_atom_eff.html -
+"ke/eff"_compute_ke_eff.html -
 "ke/rigid"_compute_ke_rigid.html - translational kinetic energy of rigid bodies
-"meso/e/atom"_compute_meso_e_atom.html - 
-"meso/rho/atom"_compute_meso_rho_atom.html - 
-"meso/t/atom"_compute_meso_t_atom.html - 
+"meso/e/atom"_compute_meso_e_atom.html -
+"meso/rho/atom"_compute_meso_rho_atom.html -
+"meso/t/atom"_compute_meso_t_atom.html -
 "msd"_compute_msd.html - mean-squared displacement of group of atoms
 "msd/chunk"_compute_msd_chunk.html - mean-squared displacement for each chunk
 "msd/nongauss"_compute_msd_nongauss.html - MSD and non-Gaussian parameter of group of atoms
@@ -237,71 +237,71 @@ compute"_Commands_compute.html doc page are followed by one or more of
 "pair/local"_compute_pair_local.html - distance/energy/force of each pairwise interaction
 "pe"_compute_pe.html - potential energy
 "pe/atom"_compute_pe_atom.html - potential energy for each atom
-"pe/mol/tally"_compute_tally.html - 
-"pe/tally"_compute_tally.html - 
+"pe/mol/tally"_compute_tally.html -
+"pe/tally"_compute_tally.html -
 "plasticity/atom"_compute_plasticity_atom.html - Peridynamic plasticity for each atom
 "pressure"_compute_pressure.html - total pressure and pressure tensor
-"pressure/cylinder"_compute_pressure_cylinder.html - 
-"pressure/uef"_compute_pressure_uef.html - 
+"pressure/cylinder"_compute_pressure_cylinder.html -
+"pressure/uef"_compute_pressure_uef.html -
 "property/atom"_compute_property_atom.html - convert atom attributes to per-atom vectors/arrays
 "property/chunk"_compute_property_chunk.html - extract various per-chunk attributes
 "property/local"_compute_property_local.html - convert local attributes to localvectors/arrays
-"ptm/atom"_compute_ptm_atom.html - 
+"ptm/atom"_compute_ptm_atom.html -
 "rdf"_compute_rdf.html - radial distribution function g(r) histogram of group of atoms
 "reduce"_compute_reduce.html - combine per-atom quantities into a single global value
 "reduce/chunk"_compute_reduce_chunk.html - reduce per-atom quantities within each chunk
 "reduce/region"_compute_reduce.html - same as compute reduce, within a region
 "rigid/local"_compute_rigid_local.html - extract rigid body attributes
-"saed"_compute_saed.html - 
+"saed"_compute_saed.html -
 "slice"_compute_slice.html - extract values from global vector or array
-"smd/contact/radius"_compute_smd_contact_radius.html - 
-"smd/damage"_compute_smd_damage.html - 
-"smd/hourglass/error"_compute_smd_hourglass_error.html - 
-"smd/internal/energy"_compute_smd_internal_energy.html - 
-"smd/plastic/strain"_compute_smd_plastic_strain.html - 
-"smd/plastic/strain/rate"_compute_smd_plastic_strain_rate.html - 
-"smd/rho"_compute_smd_rho.html - 
-"smd/tlsph/defgrad"_compute_smd_tlsph_defgrad.html - 
-"smd/tlsph/dt"_compute_smd_tlsph_dt.html - 
-"smd/tlsph/num/neighs"_compute_smd_tlsph_num_neighs.html - 
-"smd/tlsph/shape"_compute_smd_tlsph_shape.html - 
-"smd/tlsph/strain"_compute_smd_tlsph_strain.html - 
-"smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html - 
-"smd/tlsph/stress"_compute_smd_tlsph_stress.html - 
+"smd/contact/radius"_compute_smd_contact_radius.html -
+"smd/damage"_compute_smd_damage.html -
+"smd/hourglass/error"_compute_smd_hourglass_error.html -
+"smd/internal/energy"_compute_smd_internal_energy.html -
+"smd/plastic/strain"_compute_smd_plastic_strain.html -
+"smd/plastic/strain/rate"_compute_smd_plastic_strain_rate.html -
+"smd/rho"_compute_smd_rho.html -
+"smd/tlsph/defgrad"_compute_smd_tlsph_defgrad.html -
+"smd/tlsph/dt"_compute_smd_tlsph_dt.html -
+"smd/tlsph/num/neighs"_compute_smd_tlsph_num_neighs.html -
+"smd/tlsph/shape"_compute_smd_tlsph_shape.html -
+"smd/tlsph/strain"_compute_smd_tlsph_strain.html -
+"smd/tlsph/strain/rate"_compute_smd_tlsph_strain_rate.html -
+"smd/tlsph/stress"_compute_smd_tlsph_stress.html -
 "smd/triangle/vertices"_compute_smd_triangle_vertices.html -
-"smd/triangle/vertices"_compute_smd_triangle_vertices.html - 
-"smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html - 
-"smd/ulsph/strain"_compute_smd_ulsph_strain.html - 
-"smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html - 
-"smd/ulsph/stress"_compute_smd_ulsph_stress.html - 
-"smd/vol"_compute_smd_vol.html - 
+"smd/triangle/vertices"_compute_smd_triangle_vertices.html -
+"smd/ulsph/num/neighs"_compute_smd_ulsph_num_neighs.html -
+"smd/ulsph/strain"_compute_smd_ulsph_strain.html -
+"smd/ulsph/strain/rate"_compute_smd_ulsph_strain_rate.html -
+"smd/ulsph/stress"_compute_smd_ulsph_stress.html -
+"smd/vol"_compute_smd_vol.html -
 "sna/atom"_compute_sna_atom.html - calculate bispectrum coefficients for each atom
 "snad/atom"_compute_sna_atom.html - derivative of bispectrum coefficients for each atom
 "snav/atom"_compute_sna_atom.html - virial contribution from bispectrum coefficients for each atom
-"spin"_compute_spin.html - 
+"spin"_compute_spin.html -
 "stress/atom"_compute_stress_atom.html - stress tensor for each atom
-"stress/mop"_compute_stress_mop.html - 
-"stress/mop/profile"_compute_stress_mop.html - 
-"stress/tally"_compute_tally.html - 
-"tdpd/cc/atom"_compute_tdpd_cc_atom.html - 
+"stress/mop"_compute_stress_mop.html -
+"stress/mop/profile"_compute_stress_mop.html -
+"stress/tally"_compute_tally.html -
+"tdpd/cc/atom"_compute_tdpd_cc_atom.html -
 "temp"_compute_temp.html - temperature of group of atoms
 "temp/asphere"_compute_temp_asphere.html - temperature of aspherical particles
 "temp/body"_compute_temp_body.html - temperature of body particles
 "temp/chunk"_compute_temp_chunk.html - temperature of each chunk
 "temp/com"_compute_temp_com.html - temperature after subtracting center-of-mass velocity
-"temp/cs"_compute_temp_cs.html - 
+"temp/cs"_compute_temp_cs.html -
 "temp/deform"_compute_temp_deform.html - temperature excluding box deformation velocity
-"temp/deform/eff"_compute_temp_deform_eff.html - 
-"temp/drude"_compute_temp_drude.html - 
-"temp/eff"_compute_temp_eff.html - 
+"temp/deform/eff"_compute_temp_deform_eff.html -
+"temp/drude"_compute_temp_drude.html -
+"temp/eff"_compute_temp_eff.html -
 "temp/partial"_compute_temp_partial.html - temperature excluding one or more dimensions of velocity
 "temp/profile"_compute_temp_profile.html - temperature excluding a binned velocity profile
 "temp/ramp"_compute_temp_ramp.html - temperature excluding ramped velocity component
 "temp/region"_compute_temp_region.html - temperature of a region of atoms
-"temp/region/eff"_compute_temp_region_eff.html - 
-"temp/rotate"_compute_temp_rotate.html - 
+"temp/region/eff"_compute_temp_region_eff.html -
+"temp/rotate"_compute_temp_rotate.html -
 "temp/sphere"_compute_temp_sphere.html - temperature of spherical particles
-"temp/uef"_compute_temp_uef.html - 
+"temp/uef"_compute_temp_uef.html -
 "ti"_compute_ti.html - thermodynamic integration free energy values
 "torque/chunk"_compute_torque_chunk.html - torque applied on each chunk
 "vacf"_compute_vacf.html - velocity auto-correlation function of group of atoms
diff --git a/doc/src/compute_angle_local.txt b/doc/src/compute_angle_local.txt
index 8acaec94d5..332a7a07af 100644
--- a/doc/src/compute_angle_local.txt
+++ b/doc/src/compute_angle_local.txt
@@ -29,7 +29,7 @@ keyword = {set} :l
 [Examples:]
 
 compute 1 all angle/local theta
-compute 1 all angle/local eng theta 
+compute 1 all angle/local eng theta
 compute 1 all angle/local theta v_cos set theta t :pre
 
 [Description:]
diff --git a/doc/src/compute_chunk_spread_atom.txt b/doc/src/compute_chunk_spread_atom.txt
index f84ef67974..5f65900a49 100644
--- a/doc/src/compute_chunk_spread_atom.txt
+++ b/doc/src/compute_chunk_spread_atom.txt
@@ -74,7 +74,7 @@ produces a global vector or array.
 
 :line
 
-Each listed input is operated on independently.  
+Each listed input is operated on independently.
 
 If a bracketed index I is used, it can be specified using a wildcard
 asterisk with the index to effectively specify multiple values.  This
@@ -134,16 +134,16 @@ compute         gyr all gyration/chunk cmol
 variable        ave equal ave(c_gyr)
 thermo_style    custom step etotal press v_ave :pre
 
-       0    22.394765    4.6721833     5.128278 
-     100    22.445002    4.8166709    5.0348372 
-     200    22.500128    4.8790392    4.9364875 
-     300    22.534686    4.9183766    4.8590693 
-     400    22.557196    4.9492211    4.7937849 
-     500    22.571017    4.9161853    4.7412008 
-     600    22.573944    5.0229708    4.6931243 
-     700    22.581804    5.0541301    4.6440647 
-     800    22.584683    4.9691734    4.6000016 
-     900     22.59128    5.0247538    4.5611513 
+       0    22.394765    4.6721833     5.128278
+     100    22.445002    4.8166709    5.0348372
+     200    22.500128    4.8790392    4.9364875
+     300    22.534686    4.9183766    4.8590693
+     400    22.557196    4.9492211    4.7937849
+     500    22.571017    4.9161853    4.7412008
+     600    22.573944    5.0229708    4.6931243
+     700    22.581804    5.0541301    4.6440647
+     800    22.584683    4.9691734    4.6000016
+     900     22.59128    5.0247538    4.5611513
     1000    22.586832      4.94697    4.5238362 :pre
 
 :line
diff --git a/doc/src/compute_edpd_temp_atom.txt b/doc/src/compute_edpd_temp_atom.txt
index f3c1418d44..ac3fb5e277 100644
--- a/doc/src/compute_edpd_temp_atom.txt
+++ b/doc/src/compute_edpd_temp_atom.txt
@@ -24,7 +24,7 @@ compute 1 all edpd/temp/atom :pre
 Define a computation that calculates the per-atom temperature
 for each eDPD particle in a group.
 
-The temperature is a local temperature derived from the internal energy 
+The temperature is a local temperature derived from the internal energy
 of each eDPD particle based on the local equilibrium hypothesis.
 For more details please see "(Espanol1997)"_#Espanol1997 and
 "(Li2014)"_#Li2014a.
diff --git a/doc/src/compute_entropy_atom.txt b/doc/src/compute_entropy_atom.txt
index 04f0fd0b82..cd90a9b590 100644
--- a/doc/src/compute_entropy_atom.txt
+++ b/doc/src/compute_entropy_atom.txt
@@ -35,11 +35,11 @@ compute 1 all entropy/atom 0.125 7.3 avg yes 5.1 local yes :pre
 
 Define a computation that calculates the pair entropy fingerprint for
 each atom in the group. The fingerprint is useful to distinguish between
-ordered and disordered environments, for instance liquid and solid-like 
-environments, or glassy and crystalline-like environments. Some 
-applications could be the identification of grain boundaries, a 
-melt-solid interface, or a solid cluster emerging from the melt. 
-The advantage of this parameter over others is that no a priori 
+ordered and disordered environments, for instance liquid and solid-like
+environments, or glassy and crystalline-like environments. Some
+applications could be the identification of grain boundaries, a
+melt-solid interface, or a solid cluster emerging from the melt.
+The advantage of this parameter over others is that no a priori
 information about the solid structure is required.
 
 This parameter for atom i is computed using the following formula from
@@ -47,8 +47,8 @@ This parameter for atom i is computed using the following formula from
 
 :c,image(Eqs/pair_entropy.jpg)
 
-where r is a distance, g(r) is the radial distribution function of atom 
-i and rho is the density of the system. The g(r) computed for each 
+where r is a distance, g(r) is the radial distribution function of atom
+i and rho is the density of the system. The g(r) computed for each
 atom i can be noisy and therefore it is smoothed using:
 
 :c,image(Eqs/pair_entropy2.jpg)
@@ -57,7 +57,7 @@ where the sum in j goes through the neighbors of atom i, and sigma is a
 parameter to control the smoothing.
 
 The input parameters are {sigma} the smoothing parameter, and the
-{cutoff} for the calculation of g(r). 
+{cutoff} for the calculation of g(r).
 
 If the keyword {avg} has the setting {yes}, then this compute also
 averages the parameter over the neighbors  of atom i according to:
@@ -66,25 +66,25 @@ averages the parameter over the neighbors  of atom i according to:
 
 where the sum j goes over the neighbors of atom i and N is the number
 of neighbors. This procedure provides a sharper distinction between
-order and disorder environments. In this case the input parameter 
-{cutoff2} is the cutoff for the averaging over the neighbors and 
+order and disorder environments. In this case the input parameter
+{cutoff2} is the cutoff for the averaging over the neighbors and
 must also be specified.
 
 If the {avg yes} option is used, the effective cutoff of the neighbor
-list should be {cutoff}+{cutoff2} and therefore it might be necessary 
+list should be {cutoff}+{cutoff2} and therefore it might be necessary
 to increase the skin of the neighbor list with:
 
 neighbor skin bin :pre
 
 See "neighbor"_neighbor.html for details.
 
-If the {local yes} option is used, the g(r) is normalized by the 
-local density around each atom, that is to say the density around each 
-atom  is the number of neighbors within the neighbor list cutoff divided 
-by the corresponding volume. This option can be useful when dealing with 
+If the {local yes} option is used, the g(r) is normalized by the
+local density around each atom, that is to say the density around each
+atom  is the number of neighbors within the neighbor list cutoff divided
+by the corresponding volume. This option can be useful when dealing with
 inhomogeneous systems such as those that have surfaces.
 
-Here are typical input parameters for fcc aluminum (lattice 
+Here are typical input parameters for fcc aluminum (lattice
 constant 4.05 Angstroms),
 
 compute 1 all entropy/atom 0.25 5.7 avg yes 3.7 :pre
@@ -102,7 +102,7 @@ uses per-atom values from a compute as input.  See the "Howto
 output"_Howto_output.html doc page for an overview of LAMMPS output
 options.
 
-The pair entropy values have units of the Boltzmann constant. They are 
+The pair entropy values have units of the Boltzmann constant. They are
 always negative, and lower values (lower entropy) correspond to more
 ordered environments.
 
diff --git a/doc/src/compute_pressure_cylinder.txt b/doc/src/compute_pressure_cylinder.txt
index f4312e67bc..5cca9ea3a5 100644
--- a/doc/src/compute_pressure_cylinder.txt
+++ b/doc/src/compute_pressure_cylinder.txt
@@ -42,14 +42,14 @@ output in pressure units.
 [Output info:]
 
 This compute calculates a global array with 5 columns and Rmax/bin_width
-rows. The output columns are: R (distance units), number density (inverse 
-volume units), configurational radial pressure (pressure units), 
+rows. The output columns are: R (distance units), number density (inverse
+volume units), configurational radial pressure (pressure units),
 configurational azimuthal pressure (pressure units), and configurational
 axial pressure (pressure units).
 
 The values calculated by this compute are
 "intensive".  The pressure values will be in pressure
-"units"_units.html. The number density values will be in 
+"units"_units.html. The number density values will be in
 inverse volume "units"_units.html.
 
 [Restrictions:]
diff --git a/doc/src/compute_property_atom.txt b/doc/src/compute_property_atom.txt
index 3c55c88d10..a0c8579283 100644
--- a/doc/src/compute_property_atom.txt
+++ b/doc/src/compute_property_atom.txt
@@ -86,7 +86,7 @@ input = one or more atom attributes :l
 
 compute 1 all property/atom xs vx fx mux
 compute 2 all property/atom type
-compute 1 all property/atom ix iy iz 
+compute 1 all property/atom ix iy iz
 compute 3 all property/atom sp spx spy spz :pre
 
 [Description:]
diff --git a/doc/src/compute_sna_atom.txt b/doc/src/compute_sna_atom.txt
index 95d183937f..ab652daf83 100644
--- a/doc/src/compute_sna_atom.txt
+++ b/doc/src/compute_sna_atom.txt
@@ -161,7 +161,7 @@ function.
 
 The keyword {bzeroflag} determines whether or not {B0}, the bispectrum
 components of an atom with no neighbors, are subtracted from
-the calculated bispectrum components. This optional keyword 
+the calculated bispectrum components. This optional keyword
 normally only affects compute {sna/atom}. However, when
 {quadraticflag} is on, it also affects {snad/atom} and {snav/atom}.
 
diff --git a/doc/src/compute_spin.txt b/doc/src/compute_spin.txt
index 4edecc2408..d27e402972 100644
--- a/doc/src/compute_spin.txt
+++ b/doc/src/compute_spin.txt
@@ -21,7 +21,7 @@ compute out_mag all spin :pre
 
 [Description:]
 
-Define a computation that calculates magnetic quantities for a system 
+Define a computation that calculates magnetic quantities for a system
 of atoms having spins.
 
 This compute calculates 6 magnetic quantities.
@@ -31,11 +31,11 @@ magnetization.
 
 The fourth quantity is the norm of the total magnetization.
 
-The fifth quantity is the magnetic energy. 
+The fifth quantity is the magnetic energy.
 
 The sixth one is referred to as the spin temperature, according
-to the work of "(Nurdin)"_#Nurdin1. 
-  
+to the work of "(Nurdin)"_#Nurdin1.
+
 The simplest way to output the results of the compute spin calculation
 is to define some of the quantities as variables, and to use the thermo and
 thermo_style commands, for example:
@@ -49,9 +49,9 @@ variable temp_mag      	equal c_out_mag\[6\] :pre
 thermo          	10
 thermo_style    	custom step v_mag_z v_mag_norm v_temp_mag :pre
 
-This series of commands evaluates the total magnetization along z, the norm of 
-the total magnetization, and the magnetic temperature. Three variables are 
-assigned to those quantities. The thermo and thermo_style commands print them 
+This series of commands evaluates the total magnetization along z, the norm of
+the total magnetization, and the magnetic temperature. Three variables are
+assigned to those quantities. The thermo and thermo_style commands print them
 every 10 timesteps.
 
 [Output info:]
@@ -59,7 +59,7 @@ every 10 timesteps.
 The array values are "intensive".  The array values will be in
 metal units ("units"_units.html).
 
-[Restrictions:] 
+[Restrictions:]
 
 The {spin} compute is part of the SPIN package.  This compute is only
 enabled if LAMMPS was built with this package.  See the "Build
diff --git a/doc/src/compute_stress_mop.txt b/doc/src/compute_stress_mop.txt
index 1006463179..d97581afd5 100644
--- a/doc/src/compute_stress_mop.txt
+++ b/doc/src/compute_stress_mop.txt
@@ -60,7 +60,7 @@ Between one and three keywords can be used to indicate which
 contributions to the stress must be computed: kinetic stress (kin),
 configurational stress (conf), and/or total stress (total).
 
-NOTE 1: The configurational stress is computed considering all pairs of atoms where at least one atom belongs to group group-ID. 
+NOTE 1: The configurational stress is computed considering all pairs of atoms where at least one atom belongs to group group-ID.
 
 NOTE 2: The local stress does not include any Lennard-Jones tail
 corrections to the pressure added by the "pair_modify tail
@@ -80,11 +80,11 @@ keywords have been declared). For each keyword, the profiles of stress
 tensor components are ordered as follows: stress_dir,x; stress_dir,y;
 and stress_dir,z.
 
-The values are in pressure "units"_units.html. 
+The values are in pressure "units"_units.html.
 
 The values produced by this compute can be accessed by various "output commands"_Howto_output.html. For instance, the results can be written to a file using the "fix ave/time"_fix_ave_time.html command. Please see the example in the examples/USER/mop folder.
 
-[Restrictions:] 
+[Restrictions:]
 
 These styles are part of the USER-MISC package. They are only enabled if
 LAMMPS is built with that package. See the "Build package"_Build_package.html
@@ -107,5 +107,5 @@ intra-molecular interactions, and long range (kspace) interactions.
 :line
 
 :link(mop-todd)
-[(Todd)] B. D. Todd, Denis J. Evans, and Peter J. Daivis: "Pressure tensor for inhomogeneous fluids", 
+[(Todd)] B. D. Todd, Denis J. Evans, and Peter J. Daivis: "Pressure tensor for inhomogeneous fluids",
 Phys. Rev. E 52, 1627 (1995).
diff --git a/doc/src/compute_tdpd_cc_atom.txt b/doc/src/compute_tdpd_cc_atom.txt
index a385bef10b..d1f9c38319 100644
--- a/doc/src/compute_tdpd_cc_atom.txt
+++ b/doc/src/compute_tdpd_cc_atom.txt
@@ -13,7 +13,7 @@ compute tdpd/cc/atom command :h3
 compute ID group-ID tdpd/cc/atom index :pre
 
 ID, group-ID are documented in "compute"_compute.html command
-tdpd/cc/atom = style name of this compute command 
+tdpd/cc/atom = style name of this compute command
 index = index of chemical species (1 to Nspecies) :ul
 
 [Examples:]
@@ -37,7 +37,7 @@ any command that uses per-atom values from a compute as input. See the
 "Howto output"_Howto_output.html doc page for an overview of LAMMPS
 output options.
 
-The per-atom vector values will be in the units of chemical species 
+The per-atom vector values will be in the units of chemical species
 per unit mass.
 
 [Restrictions:]
diff --git a/doc/src/compute_temp_uef.txt b/doc/src/compute_temp_uef.txt
index 97e1d6e1ae..b9e6187533 100644
--- a/doc/src/compute_temp_uef.txt
+++ b/doc/src/compute_temp_uef.txt
@@ -17,17 +17,17 @@ temp/uef = style name of this compute command :ul
 
 [Examples:]
 
-compute 1 all temp/uef 
+compute 1 all temp/uef
 compute 2 sel temp/uef :pre
 
 [Description:]
 
-This command is used to compute the kinetic energy tensor in 
+This command is used to compute the kinetic energy tensor in
 the reference frame of the applied flow field when
 "fix nvt/uef"_fix_nh_uef.html or
 "fix npt/uef"_fix_nh_uef.html is used.
 It is not necessary to use this command to compute the scalar
-value of the temperature. A "compute temp"_compute_temp.html 
+value of the temperature. A "compute temp"_compute_temp.html
 may be used for that purpose.
 
 Output information for this command can be found in the
@@ -39,7 +39,7 @@ This fix is part of the USER-UEF package. It is only enabled if LAMMPS
 was built with that package. See the "Build
 package"_Build_package.html doc page for more info.
 
-This command can only be used when "fix nvt/uef"_fix_nh_uef.html 
+This command can only be used when "fix nvt/uef"_fix_nh_uef.html
 or "fix npt/uef"_fix_nh_uef.html is active.
 
 [Related commands:]
diff --git a/doc/src/create_bonds.txt b/doc/src/create_bonds.txt
index fbf741d914..abd1959e81 100644
--- a/doc/src/create_bonds.txt
+++ b/doc/src/create_bonds.txt
@@ -90,7 +90,7 @@ The {many} style will create bonds between pairs of atoms I,J where I
 is in one of the two specified groups, and J is in the other.  The two
 groups can be the same, e.g. group "all".  The created bonds will be
 of bond type {btype}, where {btype} must be a value between 1 and the
-number of bond types defined. 
+number of bond types defined.
 
 For a bond to be created, an I,J pair of atoms must be a distance D
 apart such that {rmin} <= D <= {rmax}.
diff --git a/doc/src/dihedral_table_cut.txt b/doc/src/dihedral_table_cut.txt
index b8e0ec64c8..6f3f6edbcc 100644
--- a/doc/src/dihedral_table_cut.txt
+++ b/doc/src/dihedral_table_cut.txt
@@ -59,7 +59,7 @@ cutoff angle2
 filename
 keyword :ul
 
-The cutoff dihedral style uses a tabulated dihedral interaction with a 
+The cutoff dihedral style uses a tabulated dihedral interaction with a
 cutoff function:
 
 :c,image(Eqs/dihedral_table_cut.jpg)
diff --git a/doc/src/dump_cfg_uef.txt b/doc/src/dump_cfg_uef.txt
index 16e4aba4c0..ca43b0b6ea 100644
--- a/doc/src/dump_cfg_uef.txt
+++ b/doc/src/dump_cfg_uef.txt
@@ -28,10 +28,10 @@ dump 2 all cfg/uef 100 dump.*.cfg mass type xs ys zs id c_stress :pre
 [Description:]
 
 This command is used to dump atomic coordinates in the
-reference frame of the applied flow field when 
+reference frame of the applied flow field when
 "fix nvt/uef"_fix_nh_uef.html or
-"fix npt/uef"_fix_nh_uef.html or is used. Only the atomic 
-coordinates and frame-invariant scalar quantities 
+"fix npt/uef"_fix_nh_uef.html or is used. Only the atomic
+coordinates and frame-invariant scalar quantities
 will be in the flow frame. If velocities are selected
 as output, for example, they will not be in the same
 reference frame as the atomic positions.
diff --git a/doc/src/fix.txt b/doc/src/fix.txt
index 92d0725828..916e9887f9 100644
--- a/doc/src/fix.txt
+++ b/doc/src/fix.txt
@@ -163,188 +163,188 @@ page are followed by one or more of (g,i,k,o,t) to indicate which
 accelerated styles exist.
 
 "adapt"_fix_adapt.html - change a simulation parameter over time
-"adapt/fep"_fix_adapt_fep.html - 
+"adapt/fep"_fix_adapt_fep.html -
 "addforce"_fix_addforce.html - add a force to each atom
-"addtorque"_fix_addtorque.html - 
+"addtorque"_fix_addtorque.html -
 "append/atoms"_fix_append_atoms.html - append atoms to a running simulation
-"atc"_fix_atc.html - 
+"atc"_fix_atc.html -
 "atom/swap"_fix_atom_swap.html - Monte Carlo atom type swapping
 "ave/atom"_fix_ave_atom.html - compute per-atom time-averaged quantities
 "ave/chunk"_fix_ave_chunk.html - compute per-chunk time-averaged quantities
 "ave/correlate"_fix_ave_correlate.html - compute/output time correlations
-"ave/correlate/long"_fix_ave_correlate_long.html - 
+"ave/correlate/long"_fix_ave_correlate_long.html -
 "ave/histo"_fix_ave_histo.html - compute/output time-averaged histograms
-"ave/histo/weight"_fix_ave_histo.html - 
+"ave/histo/weight"_fix_ave_histo.html -
 "ave/time"_fix_ave_time.html - compute/output global time-averaged quantities
 "aveforce"_fix_aveforce.html - add an averaged force to each atom
 "balance"_fix_balance.html - perform dynamic load-balancing
-"bocs"_fix_bocs.html - 
+"bocs"_fix_bocs.html -
 "bond/break"_fix_bond_break.html - break bonds on the fly
 "bond/create"_fix_bond_create.html - create bonds on the fly
-"bond/react"_fix_bond_react.html - 
+"bond/react"_fix_bond_react.html -
 "bond/swap"_fix_bond_swap.html - Monte Carlo bond swapping
 "box/relax"_fix_box_relax.html - relax box size during energy minimization
-"client/md"_fix_client_md.html - 
-"cmap"_fix_cmap.html - 
-"colvars"_fix_colvars.html - 
-"controller"_fix_controller.html - 
+"client/md"_fix_client_md.html -
+"cmap"_fix_cmap.html -
+"colvars"_fix_colvars.html -
+"controller"_fix_controller.html -
 "deform"_fix_deform.html - change the simulation box size/shape
 "deposit"_fix_deposit.html - add new atoms above a surface
-"dpd/energy"_fix_dpd_energy.html - 
+"dpd/energy"_fix_dpd_energy.html -
 "drag"_fix_drag.html - drag atoms towards a defined coordinate
-"drude"_fix_drude.html - 
-"drude/transform/direct"_fix_drude_transform.html - 
-"drude/transform/inverse"_fix_drude_transform.html - 
+"drude"_fix_drude.html -
+"drude/transform/direct"_fix_drude_transform.html -
+"drude/transform/inverse"_fix_drude_transform.html -
 "dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
-"edpd/source"_fix_dpd_source.html - 
+"edpd/source"_fix_dpd_source.html -
 "efield"_fix_efield.html - impose electric field on system
 "ehex"_fix_ehex.html - enhanced heat exchange algorithm
 "enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force
-"eos/cv"_fix_eos_cv.html - 
-"eos/table"_fix_eos_table.html - 
-"eos/table/rx"_fix_eos_table_rx.html - 
+"eos/cv"_fix_eos_cv.html -
+"eos/table"_fix_eos_table.html -
+"eos/table/rx"_fix_eos_table_rx.html -
 "evaporate"_fix_evaporate.html - remove atoms from simulation periodically
 "external"_fix_external.html - callback to an external driver program
-"ffl"_fix_ffl.html - 
-"filter/corotate"_fix_filter_corotate.html - 
-"flow/gauss"_fix_flow_gauss.html - 
+"ffl"_fix_ffl.html -
+"filter/corotate"_fix_filter_corotate.html -
+"flow/gauss"_fix_flow_gauss.html -
 "freeze"_fix_freeze.html - freeze atoms in a granular simulation
 "gcmc"_fix_gcmc.html - grand canonical insertions/deletions
 "gld"_fix_gcmc.html - generalized Langevin dynamics integrator
-"gld"_fix_gld.html - 
-"gle"_fix_gle.html - 
+"gld"_fix_gld.html -
+"gle"_fix_gle.html -
 "gravity"_fix_gravity.html - add gravity to atoms in a granular simulation
-"grem"_fix_grem.html - 
+"grem"_fix_grem.html -
 "halt"_fix_halt.html - terminate a dynamics run or minimization
 "heat"_fix_heat.html - add/subtract momentum-conserving heat
 "hyper/global"_fix_hyper_global.html - global hyperdynamics
 "hyper/local"_fix_hyper_local.html - local hyperdynamics
-"imd"_fix_imd.html - 
+"imd"_fix_imd.html -
 "indent"_fix_indent.html - impose force due to an indenter
-"ipi"_fix_ipi.html - 
+"ipi"_fix_ipi.html -
 "langevin"_fix_langevin.html - Langevin temperature control
-"langevin/drude"_fix_langevin_drude.html - 
-"langevin/eff"_fix_langevin_eff.html - 
-"langevin/spin"_fix_langevin_spin.html - 
+"langevin/drude"_fix_langevin_drude.html -
+"langevin/eff"_fix_langevin_eff.html -
+"langevin/spin"_fix_langevin_spin.html -
 "latte"_fix_latte.html - wrapper on LATTE density-functional tight-binding code
-"lb/fluid"_fix_lb_fluid.html - 
-"lb/momentum"_fix_lb_momentum.html - 
-"lb/pc"_fix_lb_pc.html - 
-"lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html - 
-"lb/viscous"_fix_lb_viscous.html - 
+"lb/fluid"_fix_lb_fluid.html -
+"lb/momentum"_fix_lb_momentum.html -
+"lb/pc"_fix_lb_pc.html -
+"lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html -
+"lb/viscous"_fix_lb_viscous.html -
 "lineforce"_fix_lineforce.html - constrain atoms to move in a line
-"manifoldforce"_fix_manifoldforce.html - 
-"meso"_fix_meso.html - 
+"manifoldforce"_fix_manifoldforce.html -
+"meso"_fix_meso.html -
 "meso"_fix_meso_move.html - move mesoscopic SPH/SDPD particles in a prescribed fashion
-"meso/move"_fix_meso_move.html - 
-"meso/stationary"_fix_meso_stationary.html - 
+"meso/move"_fix_meso_move.html -
+"meso/stationary"_fix_meso_stationary.html -
 "momentum"_fix_momentum.html - zero the linear and/or angular momentum of a group of atoms
 "move"_fix_move.html - move atoms in a prescribed fashion
-"mscg"_fix_mscg.html - 
+"mscg"_fix_mscg.html -
 "msst"_fix_msst.html - multi-scale shock technique (MSST) integration
-"mvv/dpd"_fix_mvv_dpd.html - 
-"mvv/edpd"_fix_mvv_dpd.html - 
-"mvv/tdpd"_fix_mvv_dpd.html - 
+"mvv/dpd"_fix_mvv_dpd.html -
+"mvv/edpd"_fix_mvv_dpd.html -
+"mvv/tdpd"_fix_mvv_dpd.html -
 "neb"_fix_neb.html - nudged elastic band (NEB) spring forces
 "nph"_fix_nh.html - constant NPH time integration via Nose/Hoover
 "nph/asphere"_fix_nph_asphere.html - NPH for aspherical particles
-"nph/body"_fix_nph_body.html - 
+"nph/body"_fix_nph_body.html -
 "nph/body"_fix_nve_body.html - NPH for body particles
-"nph/eff"_fix_nh_eff.html - 
+"nph/eff"_fix_nh_eff.html -
 "nph/sphere"_fix_nph_sphere.html - NPH for spherical particles
 "nphug"_fix_nphug.html - constant-stress Hugoniostat integration
 "npt"_fix_nh.html - constant NPT time integration via Nose/Hoover
 "npt/asphere"_fix_npt_asphere.html - NPT for aspherical particles
-"npt/body"_fix_npt_body.html - 
+"npt/body"_fix_npt_body.html -
 "npt/body"_fix_nve_body.html - NPT for body particles
-"npt/eff"_fix_nh_eff.html - 
+"npt/eff"_fix_nh_eff.html -
 "npt/sphere"_fix_npt_sphere.html - NPT for spherical particles
-"npt/uef"_fix_nh_uef.html - 
+"npt/uef"_fix_nh_uef.html -
 "nve"_fix_nve.html - constant NVE time integration
 "nve/asphere"_fix_nve_asphere.html - NVE for aspherical particles
 "nve/asphere/noforce"_fix_nve_asphere_noforce.html - NVE for aspherical particles without forces"
-"nve/awpmd"_fix_nve_awpmd.html - 
+"nve/awpmd"_fix_nve_awpmd.html -
 "nve/body"_fix_nve_body.html - NVE for body particles
-"nve/dot"_fix_nve_dot.html - 
-"nve/dotc/langevin"_fix_nve_dotc_langevin.html - 
-"nve/eff"_fix_nve_eff.html - 
+"nve/dot"_fix_nve_dot.html -
+"nve/dotc/langevin"_fix_nve_dotc_langevin.html -
+"nve/eff"_fix_nve_eff.html -
 "nve/limit"_fix_nve_limit.html - NVE with limited step length
 "nve/line"_fix_nve_line.html - NVE for line segments
-"nve/manifold/rattle"_fix_nve_manifold_rattle.html - 
+"nve/manifold/rattle"_fix_nve_manifold_rattle.html -
 "nve/noforce"_fix_nve_noforce.html - NVE without forces (v only)
 "nve/sphere"_fix_nve_sphere.html - NVE for spherical particles
-"nve/spin"_fix_nve_spin.html - 
+"nve/spin"_fix_nve_spin.html -
 "nve/tri"_fix_nve_tri.html - NVE for triangles
-"nvk"_fix_nvk.html - 
+"nvk"_fix_nvk.html -
 "nvt"_fix_nh.html - constant NVT time integration via Nose/Hoover
 "nvt/asphere"_fix_nvt_asphere.html - NVT for aspherical particles
 "nvt/body"_fix_nve_body.html - NVT for body particles
-"nvt/body"_fix_nvt_body.html - 
-"nvt/eff"_fix_nh_eff.html - 
-"nvt/manifold/rattle"_fix_nvt_manifold_rattle.html - 
+"nvt/body"_fix_nvt_body.html -
+"nvt/eff"_fix_nh_eff.html -
+"nvt/manifold/rattle"_fix_nvt_manifold_rattle.html -
 "nvt/sllod"_fix_nvt_sllod.html - NVT for NEMD with SLLOD equations
-"nvt/sllod/eff"_fix_nvt_sllod_eff.html - 
+"nvt/sllod/eff"_fix_nvt_sllod_eff.html -
 "nvt/sphere"_fix_nvt_sphere.html - NVT for spherical particles
-"nvt/uef"_fix_nh_uef.html - 
+"nvt/uef"_fix_nh_uef.html -
 "oneway"_fix_oneway.html - constrain particles on move in one direction
 "orient/bcc"_fix_orient.html - add grain boundary migration force for BCC
 "orient/fcc"_fix_orient.html - add grain boundary migration force for FCC
-"phonon"_fix_phonon.html - 
-"pimd"_fix_pimd.html - 
+"phonon"_fix_phonon.html -
+"pimd"_fix_pimd.html -
 "planeforce"_fix_planeforce.html - constrain atoms to move in a plane
 "plumed"_fix_plumed.html - wrapper on PLUMED free energy library
 "poems"_fix_poems.html - constrain clusters of atoms to move as coupled rigid bodies
 "pour"_fix_pour.html - pour new atoms/molecules into a granular simulation domain
-"precession/spin"_fix_precession_spin.html - 
+"precession/spin"_fix_precession_spin.html -
 "press/berendsen"_fix_press_berendsen.html - pressure control by Berendsen barostat
 "print"_fix_print.html - print text and variables during a simulation
 "property/atom"_fix_property_atom.html - add customized per-atom values
-"python/invoke"_fix_python_invoke.html - 
-"python/move"_fix_python_move.html - 
-"qbmsst"_fix_qbmsst.html - 
+"python/invoke"_fix_python_invoke.html -
+"python/move"_fix_python_move.html -
+"qbmsst"_fix_qbmsst.html -
 "qeq/comb"_fix_qeq_comb.html - charge equilibration for COMB potential
 "qeq/dynamic"_fix_qeq.html - charge equilibration via dynamic method
 "qeq/fire"_fix_qeq.html - charge equilibration via FIRE minimizer
 "qeq/point"_fix_qeq.html - charge equilibration via point method
-"qeq/reax"_fix_qeq_reax.html - 
+"qeq/reax"_fix_qeq_reax.html -
 "qeq/shielded"_fix_qeq.html - charge equilibration via shielded method
 "qeq/slater"_fix_qeq.html - charge equilibration via Slater method
-"qmmm"_fix_qmmm.html - 
-"qtb"_fix_qtb.html - 
+"qmmm"_fix_qmmm.html -
+"qtb"_fix_qtb.html -
 "rattle"_fix_shake.html - RATTLE constraints on bonds and/or angles
 "reax/bonds"_fix_reax_bonds.html - write out ReaxFF bond information
-"reax/c/bonds"_fix_reax_bonds.html - 
-"reax/c/species"_fix_reaxc_species.html - 
+"reax/c/bonds"_fix_reax_bonds.html -
+"reax/c/species"_fix_reaxc_species.html -
 "recenter"_fix_recenter.html - constrain the center-of-mass position of a group of atoms
 "restrain"_fix_restrain.html - constrain a bond, angle, dihedral
-"rhok"_fix_rhok.html - 
+"rhok"_fix_rhok.html -
 "rigid"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVE integration
 "rigid/nph"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPH integration
-"rigid/nph/small"_fix_rigid.html - 
+"rigid/nph/small"_fix_rigid.html -
 "rigid/npt"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NPT integration
-"rigid/npt/small"_fix_rigid.html - 
+"rigid/npt/small"_fix_rigid.html -
 "rigid/nve"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with alternate NVE integration
-"rigid/nve/small"_fix_rigid.html - 
+"rigid/nve/small"_fix_rigid.html -
 "rigid/nvt"_fix_rigid.html - constrain one or more clusters of atoms to move as a rigid body with NVT integration
-"rigid/nvt/small"_fix_rigid.html - 
+"rigid/nvt/small"_fix_rigid.html -
 "rigid/small"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVE integration
 "rigid/small/nph"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPH integration
 "rigid/small/npt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NPT integration
 "rigid/small/nve"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with alternate NVE integration
 "rigid/small/nvt"_fix_rigid.html - constrain many small clusters of atoms to move as a rigid body with NVT integration
 "rigid/meso"_fix_rigid_meso.html - constrain clusters of mesoscopic SPH/SDPD particles to move as a rigid body
-"rx"_fix_rx.html - 
-"saed/vtk"_fix_saed_vtk.html - 
+"rx"_fix_rx.html -
+"saed/vtk"_fix_saed_vtk.html -
 "setforce"_fix_setforce.html - set the force on each atom
 "shake"_fix_shake.html - SHAKE constraints on bonds and/or angles
-"shardlow"_fix_shardlow.html - 
-"smd"_fix_smd.html - 
-"smd/adjust_dt"_fix_smd_adjust_dt.html - 
-"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html - 
-"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html - 
-"smd/move_tri_surf"_fix_smd_move_triangulated_surface.html - 
-"smd/setvel"_fix_smd_setvel.html - 
-"smd/wall_surface"_fix_smd_wall_surface.html - 
+"shardlow"_fix_shardlow.html -
+"smd"_fix_smd.html -
+"smd/adjust_dt"_fix_smd_adjust_dt.html -
+"smd/integrate_tlsph"_fix_smd_integrate_tlsph.html -
+"smd/integrate_ulsph"_fix_smd_integrate_ulsph.html -
+"smd/move_tri_surf"_fix_smd_move_triangulated_surface.html -
+"smd/setvel"_fix_smd_setvel.html -
+"smd/wall_surface"_fix_smd_wall_surface.html -
 "spring"_fix_spring.html - apply harmonic spring force to group of atoms
 "spring/chunk"_fix_spring_chunk.html - apply harmonic spring force to each chunk of atoms
 "spring/rg"_fix_spring_rg.html - spring on radius of gyration of group of atoms
@@ -352,28 +352,28 @@ accelerated styles exist.
 "srd"_fix_srd.html - stochastic rotation dynamics (SRD)
 "store/force"_fix_store_force.html - store force on each atom
 "store/state"_fix_store_state.html - store attributes for each atom
-"tdpd/source"_fix_dpd_source.html - 
+"tdpd/source"_fix_dpd_source.html -
 "temp/berendsen"_fix_temp_berendsen.html - temperature control by Berendsen thermostat
 "temp/csld"_fix_temp_csvr.html - canonical sampling thermostat with Langevin dynamics
 "temp/csvr"_fix_temp_csvr.html - canonical sampling thermostat with Hamiltonian dynamics
 "temp/rescale"_fix_temp_rescale.html - temperature control by velocity rescaling
-"temp/rescale/eff"_fix_temp_rescale_eff.html - 
+"temp/rescale/eff"_fix_temp_rescale_eff.html -
 "tfmc"_fix_tfmc.html - perform force-bias Monte Carlo with time-stamped method
 "thermal/conductivity"_fix_thermal_conductivity.html - Muller-Plathe kinetic energy exchange for thermal conductivity calculation
-"ti/spring"_fix_ti_spring.html - 
+"ti/spring"_fix_ti_spring.html -
 "tmd"_fix_tmd.html - guide a group of atoms to a new configuration
 "ttm"_fix_ttm.html - two-temperature model for electronic/atomic coupling
-"ttm/mod"_fix_ttm.html - 
+"ttm/mod"_fix_ttm.html -
 "tune/kspace"_fix_tune_kspace.html - auto-tune KSpace parameters
 "vector"_fix_vector.html - accumulate a global vector every N timesteps
 "viscosity"_fix_viscosity.html - Muller-Plathe momentum exchange for viscosity calculation
 "viscous"_fix_viscous.html - viscous damping for granular simulations
-"wall/body/polygon"_fix_wall_body_polygon.html - 
-"wall/body/polyhedron"_fix_wall_body_polyhedron.html - 
+"wall/body/polygon"_fix_wall_body_polygon.html -
+"wall/body/polyhedron"_fix_wall_body_polyhedron.html -
 "wall/colloid"_fix_wall.html - Lennard-Jones wall interacting with finite-size particles
-"wall/ees"_fix_wall_ees.html - 
+"wall/ees"_fix_wall_ees.html -
 "wall/gran"_fix_wall_gran.html - frictional wall(s) for granular simulations
-"wall/gran/region"_fix_wall_gran_region.html - 
+"wall/gran/region"_fix_wall_gran_region.html -
 "wall/harmonic"_fix_wall.html - harmonic spring wall
 "wall/lj1043"_fix_wall.html - Lennard-Jones 10-4-3 wall
 "wall/lj126"_fix_wall.html - Lennard-Jones 12-6 wall
@@ -381,7 +381,7 @@ accelerated styles exist.
 "wall/piston"_fix_wall_piston.html - moving reflective piston wall
 "wall/reflect"_fix_wall_reflect.html - reflecting wall(s)
 "wall/region"_fix_wall_region.html - use region surface as wall
-"wall/region/ees"_fix_wall_ees.html - 
+"wall/region/ees"_fix_wall_ees.html -
 "wall/srd"_fix_wall_srd.html - slip/no-slip wall for SRD particles :ul
 
 [Restrictions:]
diff --git a/doc/src/fix_bocs.txt b/doc/src/fix_bocs.txt
index cbcd1138d3..db9c35069c 100644
--- a/doc/src/fix_bocs.txt
+++ b/doc/src/fix_bocs.txt
@@ -24,7 +24,7 @@ keyword = {temp} or {cgiso} or {analytic} or {linear_spline} or {cubic_spline}
 [Examples:]
 
 fix 1 all bocs temp 300.0 300.0 100.0 cgiso 0.986 0.986 1000.0 analytic 66476.015 968 2 245030.10 8962.20 :pre
- 
+
 fix 1 all bocs temp 300.0 300.0 100.0 cgiso 0.986 0.986 1000.0 cubic_spline input_Fv.dat :pre
 
 thermo_modify press 1_press :pre
@@ -32,55 +32,55 @@ thermo_modify press 1_press :pre
 
 [Description:]
 
-These commands incorporate a pressure correction as described by 
+These commands incorporate a pressure correction as described by
 Dunn and Noid in "(Dunn1)"_#bocs-Dunn1 to the standard MTTK
 barostat by Martyna et. al. in "(Martyna)"_#bocs-Martyna .
 The first half of the command mimics a standard fix npt command:
 
 fix 1 all bocs temp Tstart Tstop Tcoupl cgiso Pstart Pstop Pdamp :pre
 
-The two differences are replacing {npt} with {bocs}, and replacing 
+The two differences are replacing {npt} with {bocs}, and replacing
 {iso}/{aniso}/{etc} with {cgiso}.
-The rest of the command details what form you would like to use for 
-the pressure correction equation. The choices are: {analytic}, {linear_spline}, 
-or {cubic_spline}. 
+The rest of the command details what form you would like to use for
+the pressure correction equation. The choices are: {analytic}, {linear_spline},
+or {cubic_spline}.
 
-With either spline method, the only argument that needs to follow it 
-is the name of a file that contains the desired pressure correction 
+With either spline method, the only argument that needs to follow it
+is the name of a file that contains the desired pressure correction
 as a function of volume. The file should be formatted so each line has:
 
 Volume_i, PressureCorrection_i :pre
 
-Note both the COMMA and the SPACE separating the volume's 
-value and its corresponding pressure correction. The volumes in the file 
-should be uniformly spaced. Both the volumes and the pressure corrections 
-should be provided in the proper units, e.g. if you are using {units real}, 
-the volumes should all be in cubic angstroms, and the pressure corrections 
-should all be in atmospheres. Furthermore, the table should start/end at a 
-volume considerably smaller/larger than you expect your system to sample 
-during the simulation. If the system ever reaches a volume outside of the 
+Note both the COMMA and the SPACE separating the volume's
+value and its corresponding pressure correction. The volumes in the file
+should be uniformly spaced. Both the volumes and the pressure corrections
+should be provided in the proper units, e.g. if you are using {units real},
+the volumes should all be in cubic angstroms, and the pressure corrections
+should all be in atmospheres. Furthermore, the table should start/end at a
+volume considerably smaller/larger than you expect your system to sample
+during the simulation. If the system ever reaches a volume outside of the
 range provided, the simulation will stop.
 
 With the {analytic} option, the arguments are as follows:
 
 ... analytic V_avg N_particles N_coeff Coeff_1 Coeff_2 ... Coeff_N :pre
 
-Note that {V_avg} and {Coeff_i} should all be in the proper units, e.g. if you 
-are using {units real}, {V_avg} should be in cubic angstroms, and the 
+Note that {V_avg} and {Coeff_i} should all be in the proper units, e.g. if you
+are using {units real}, {V_avg} should be in cubic angstroms, and the
 coefficients should all be in atmospheres * cubic angstroms.
 
 [Restrictions:]
 
 As this is computing a (modified) pressure, group-ID should be {all}.
 
-The pressure correction has only been tested for use with an isotropic 
-pressure coupling in 3 dimensions.   
+The pressure correction has only been tested for use with an isotropic
+pressure coupling in 3 dimensions.
 
 By default, LAMMPS will still report the normal value for the pressure
 if the pressure is printed via a {thermo} command, or if the pressures
 are written to a file every so often. In order to have LAMMPS report the
-modified pressure, you must include the {thermo_modify} command given in 
-the examples. For the last argument in the command, you should put 
+modified pressure, you must include the {thermo_modify} command given in
+the examples. For the last argument in the command, you should put
 XXXX_press, where XXXX is the ID given to the fix bocs command (in the
 example, the ID of the fix bocs command is 1 ).
 
@@ -90,8 +90,8 @@ package"_Build_package.html doc page for more info.
 
 [Related:]
 
-For more details about the pressure correction and the entire BOCS software 
-package, visit the "BOCS package on GitHub"_bocsgithub and read the release 
+For more details about the pressure correction and the entire BOCS software
+package, visit the "BOCS package on GitHub"_bocsgithub and read the release
 paper by Dunn et. al. "(Dunn2)"_#bocs-Dunn2 .
 
 
diff --git a/doc/src/fix_client_md.txt b/doc/src/fix_client_md.txt
index 6828731021..5fee8511fe 100644
--- a/doc/src/fix_client_md.txt
+++ b/doc/src/fix_client_md.txt
@@ -68,7 +68,7 @@ LAMMPS and another code in tandem to perform a coupled simulation.
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
 No information about this fix is written to "binary restart
-files"_restart.html.  
+files"_restart.html.
 
 The "fix_modify"_fix_modify.html {energy} option is supported by this
 fix to add the potential energy computed by the server application to
diff --git a/doc/src/fix_deform.txt b/doc/src/fix_deform.txt
index d35c3065a2..3259f79497 100644
--- a/doc/src/fix_deform.txt
+++ b/doc/src/fix_deform.txt
@@ -86,7 +86,7 @@ Change the volume and/or shape of the simulation box during a dynamics
 run.  Orthogonal simulation boxes have 3 adjustable parameters
 (x,y,z).  Triclinic (non-orthogonal) simulation boxes have 6
 adjustable parameters (x,y,z,xy,xz,yz).  Any or all of them can be
-adjusted independently and simultaneously by this command.  
+adjusted independently and simultaneously by this command.
 
 This fix can be used to perform non-equilibrium MD (NEMD) simulations
 of a continuously strained system.  See the "fix
diff --git a/doc/src/fix_dt_reset.txt b/doc/src/fix_dt_reset.txt
index 0c5a4493ae..adca2c3072 100644
--- a/doc/src/fix_dt_reset.txt
+++ b/doc/src/fix_dt_reset.txt
@@ -55,7 +55,7 @@ current velocity and force.  Since performing this calculation exactly
 would require the solution to a quartic equation, a cheaper estimate
 is generated.  The estimate is conservative in that the atom's
 displacement is guaranteed not to exceed {Xmax}, though it may be
-smaller. 
+smaller.
 
 In addition if the {emax} keyword is used, the specified {Emax} value
 is enforced as a limit on how much an atom's kinetic energy can
diff --git a/doc/src/fix_gcmc.txt b/doc/src/fix_gcmc.txt
index 6b9a02eeca..8a66a007a3 100644
--- a/doc/src/fix_gcmc.txt
+++ b/doc/src/fix_gcmc.txt
@@ -74,7 +74,7 @@ materials, or computing vapor-liquid coexistence curves.
 Every N timesteps the fix attempts both GCMC exchanges
 (insertions or deletions) and MC moves of gas atoms or molecules.
 On those timesteps, the average number of attempted GCMC exchanges is X,
-while the average number of attempted MC moves is M. 
+while the average number of attempted MC moves is M.
 For GCMC exchanges of either molecular or atomic gasses,
 these exchanges can be either deletions or insertions,
 with equal probability.
@@ -203,7 +203,7 @@ atom translations, molecule translations, and molecule rotations,
 respectively. The values must be non-negative integers or real
 numbers, with at least one non-zero value. For example, (10,30,0)
 would result in 25% of the MC moves being atomic translations, 75%
-molecular translations, and no molecular rotations. 
+molecular translations, and no molecular rotations.
 
 Optionally, users may specify the maximum rotation angle for molecular
 rotations using the {maxangle} keyword and specifying the angle in
diff --git a/doc/src/fix_langevin_spin.txt b/doc/src/fix_langevin_spin.txt
index d4836706e2..ddd3a0319b 100644
--- a/doc/src/fix_langevin_spin.txt
+++ b/doc/src/fix_langevin_spin.txt
@@ -25,35 +25,35 @@ fix 2 all langevin/spin 300.0 0.01 21 :pre
 
 [Description:]
 
-Apply a Langevin thermostat as described in "(Mayergoyz)"_#Mayergoyz1 to the 
-magnetic spins associated to the atoms. 
-Used with "fix nve/spin"_fix_nve_spin.html, this command performs 
-Brownian dynamics (BD). 
+Apply a Langevin thermostat as described in "(Mayergoyz)"_#Mayergoyz1 to the
+magnetic spins associated to the atoms.
+Used with "fix nve/spin"_fix_nve_spin.html, this command performs
+Brownian dynamics (BD).
 A random torque and a transverse dissipation are applied to each spin i according to
 the following stochastic differential equation:
 
 :c,image(Eqs/fix_langevin_spin_sLLG.jpg)
 
 with lambda the transverse damping, and eta a random vector.
-This equation is referred to as the stochastic Landau-Lifshitz-Gilbert (sLLG) 
+This equation is referred to as the stochastic Landau-Lifshitz-Gilbert (sLLG)
 equation.
 
-The components of eta are drawn from a Gaussian probability law. Their amplitude 
-is defined as a proportion of the temperature of the external thermostat T (in K 
+The components of eta are drawn from a Gaussian probability law. Their amplitude
+is defined as a proportion of the temperature of the external thermostat T (in K
 in metal units).
 
 More details about this implementation are reported in "(Tranchida)"_#Tranchida2.
 
 Note: due to the form of the sLLG equation, this fix has to be defined just
-before the nve/spin fix (and after all other magnetic fixes). 
+before the nve/spin fix (and after all other magnetic fixes).
 As an example:
 
 fix 1 all precession/spin zeeman 0.01 0.0 0.0 1.0
-fix 2 all langevin/spin 300.0 0.01 21 
+fix 2 all langevin/spin 300.0 0.01 21
 fix 3 all nve/spin lattice yes :pre
 
 is correct, but defining a force/spin command after the langevin/spin command
-would give an error message. 
+would give an error message.
 
 Note: The random # {seed} must be a positive integer.  A Marsaglia random
 number generator is used.  Each processor uses the input seed to
@@ -81,10 +81,10 @@ only enabled if LAMMPS was built with this package.  See the "Build
 package"_Build_package.html doc page for more info.
 
 The numerical integration has to be performed with {fix nve/spin}
-when {fix langevin/spin} is enabled. 
+when {fix langevin/spin} is enabled.
 
 This fix has to be the last defined magnetic fix before the time
-integration fix (e.g. {fix nve/spin}). 
+integration fix (e.g. {fix nve/spin}).
 
 [Related commands:]
 
diff --git a/doc/src/fix_latte.txt b/doc/src/fix_latte.txt
index c97095bcfc..e6edf6ac8a 100644
--- a/doc/src/fix_latte.txt
+++ b/doc/src/fix_latte.txt
@@ -58,7 +58,7 @@ LATTE is a code for performing self-consistent charge transfer
 tight-binding (SC-TB) calculations of total energies and the forces
 acting on atoms in molecules and solids. This tight-binding method is
 becoming more and more popular and widely used in chemistry,
-biochemistry, material science, etc.  
+biochemistry, material science, etc.
 
 The SC-TB formalism is derived from an expansion of the Kohn-Sham
 density functional to second order in charge fluctuations about a
@@ -66,7 +66,7 @@ reference charge of overlapping atom-centered densities and bond
 integrals are parameterized using a Slater-Koster tight-binding
 approach. This procedure, which usually is referred to as the DFTB
 method has been described in detail by ("Elstner"_#Elstner) and
-("Finnis"_#Finnis2) and coworkers. 
+("Finnis"_#Finnis2) and coworkers.
 
 The work of the LATTE developers follows that of Elstner closely with
 respect to the physical model.  However, the development of LATTE is
diff --git a/doc/src/fix_modify.txt b/doc/src/fix_modify.txt
index f50747948a..f7882c58f7 100644
--- a/doc/src/fix_modify.txt
+++ b/doc/src/fix_modify.txt
@@ -78,7 +78,7 @@ virial is included in the calculation performed by the "compute
 pressure"_compute_pressure.html or
 "compute stress/atom"_compute_stress_atom.html
 commands.  See the "thermo_style"_thermo_style.html command for info
-on how pressure is output. 
+on how pressure is output.
 
 NOTE: You must specify the {virial yes} setting for a fix if you
 are doing "box relaxation"_fix_box_relax.html and
diff --git a/doc/src/fix_msst.txt b/doc/src/fix_msst.txt
index 64195abb37..a46e79c5b0 100644
--- a/doc/src/fix_msst.txt
+++ b/doc/src/fix_msst.txt
@@ -23,7 +23,7 @@ keyword = {q} or {mu} or {p0} or {v0} or {e0} or {tscale} or {beta} or {dftb} :l
   {p0} value = initial pressure in the shock equations (pressure units)
   {v0} value = initial simulation cell volume in the shock equations (distance^3 units)
   {e0} value = initial total energy (energy units)
-  {tscale} value = reduction in initial temperature (unitless fraction between 0.0 and 1.0) 
+  {tscale} value = reduction in initial temperature (unitless fraction between 0.0 and 1.0)
   {dftb} value = {yes} or {no} for whether using MSST in conjunction with DFTB+
   {beta} value = scale factor for improved energy conservation :pre
 :ule
diff --git a/doc/src/fix_nve_dot.txt b/doc/src/fix_nve_dot.txt
index 3112b586d1..fcd8926c13 100644
--- a/doc/src/fix_nve_dot.txt
+++ b/doc/src/fix_nve_dot.txt
@@ -36,7 +36,7 @@ The command is equivalent to the "fix nve"_fix_nve.html.
 The particles are always considered to have a finite size.
 
 An example input file can be found in /examples/USER/cgdna/examples/duplex1/.
-Further details of the implementation and stability of the integrator are contained in "(Henrich)"_#Henrich3. 
+Further details of the implementation and stability of the integrator are contained in "(Henrich)"_#Henrich3.
 The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
 :line
diff --git a/doc/src/fix_nve_dotc_langevin.txt b/doc/src/fix_nve_dotc_langevin.txt
index bb59a8423c..898ca5132b 100644
--- a/doc/src/fix_nve_dotc_langevin.txt
+++ b/doc/src/fix_nve_dotc_langevin.txt
@@ -24,7 +24,7 @@ keyword = {angmom} :l
 
 [Examples:]
 
-fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10 
+fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10
 fix 1 all nve/dotc/langevin 0.1 0.1 78.9375 457145 angmom 10 :pre
 
 [Description:]
@@ -79,9 +79,9 @@ a Gaussian random number) for speed.
 :line
 
 {Tstart} and {Tstop} have to be constant values, i.e. they cannot
-be variables. If used together with the oxDNA force field for 
+be variables. If used together with the oxDNA force field for
 coarse-grained simulation of DNA please note that T = 0.1 in oxDNA units
-corresponds to T = 300 K.  
+corresponds to T = 300 K.
 
 The {damp} parameter is specified in time units and determines how
 rapidly the temperature is relaxed.  For example, a value of 0.03
@@ -92,10 +92,10 @@ viscosity of the solvent, i.e. a small relaxation time implies a
 hi-viscosity solvent and vice versa.  See the discussion about gamma
 and viscosity in the documentation for the "fix
 viscous"_fix_viscous.html command for more details.
-Note that the value 78.9375 in the second example above corresponds 
-to a diffusion constant, which is about an order of magnitude larger 
+Note that the value 78.9375 in the second example above corresponds
+to a diffusion constant, which is about an order of magnitude larger
 than realistic ones. This has been used to sample configurations faster
-in Brownian dynamics simulations. 
+in Brownian dynamics simulations.
 
 The random # {seed} must be a positive integer. A Marsaglia random
 number generator is used.  Each processor uses the input seed to
@@ -114,7 +114,7 @@ The scale factor after the {angmom} keyword gives the ratio of the rotational to
 the translational friction coefficient.
 
 An example input file can be found in /examples/USER/cgdna/examples/duplex2/.
-Further details of the implementation and stability of the integrators are contained in "(Henrich)"_#Henrich4.              
+Further details of the implementation and stability of the integrators are contained in "(Henrich)"_#Henrich4.
 The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
 :line
diff --git a/doc/src/fix_nve_spin.txt b/doc/src/fix_nve_spin.txt
index 08f0eab61d..af435dc730 100644
--- a/doc/src/fix_nve_spin.txt
+++ b/doc/src/fix_nve_spin.txt
@@ -27,20 +27,20 @@ fix 1 all nve/spin lattice no :pre
 
 Perform a symplectic integration for the spin or spin-lattice system.
 
-The {lattice} keyword defines if the spins are integrated on a lattice 
+The {lattice} keyword defines if the spins are integrated on a lattice
 of fixed atoms (lattice = no), or if atoms are moving (lattice = yes).
 
 By default (lattice = yes), a spin-lattice integration is performed.
 
-The {nve/spin} fix applies a Suzuki-Trotter decomposition to 
+The {nve/spin} fix applies a Suzuki-Trotter decomposition to
 the equations of motion of the spin lattice system, following the scheme:
 
 :c,image(Eqs/fix_integration_spin_stdecomposition.jpg)
 
 according to the implementation reported in "(Omelyan)"_#Omelyan1.
 
-A sectoring method enables this scheme for parallel calculations. 
-The implementation of this sectoring algorithm is reported 
+A sectoring method enables this scheme for parallel calculations.
+The implementation of this sectoring algorithm is reported
 in "(Tranchida)"_#Tranchida1.
 
 :line
@@ -51,7 +51,7 @@ This fix style can only be used if LAMMPS was built with the SPIN
 package.  See the "Build package"_Build_package.html doc page for more
 info.
 
-To use the spin algorithm, it is necessary to define a map with 
+To use the spin algorithm, it is necessary to define a map with
 the atom_modify command. Typically, by adding the command:
 
 atom_modify map array :pre
@@ -68,7 +68,7 @@ instead of "array" is also valid.
 :line
 
 :link(Omelyan1)
-[(Omelyan)] Omelyan, Mryglod, and Folk. Phys. Rev. Lett. 
+[(Omelyan)] Omelyan, Mryglod, and Folk. Phys. Rev. Lett.
 86(5), 898. (2001).
 
 :link(Tranchida1)
diff --git a/doc/src/fix_poems.txt b/doc/src/fix_poems.txt
index 8fe793ce7f..027a15a5ff 100644
--- a/doc/src/fix_poems.txt
+++ b/doc/src/fix_poems.txt
@@ -106,7 +106,7 @@ off, and there is only a single fix poems defined.
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
 No information about this fix is written to "binary restart
-files"_restart.html.  
+files"_restart.html.
 
 The "fix_modify"_fix_modify.html {bodyforces} option is supported by
 this fix style to set whether per-body forces and torques are computed
diff --git a/doc/src/fix_precession_spin.txt b/doc/src/fix_precession_spin.txt
index d58cd622b0..f16522c7b6 100644
--- a/doc/src/fix_precession_spin.txt
+++ b/doc/src/fix_precession_spin.txt
@@ -15,7 +15,7 @@ fix ID group precession/spin style args :pre
 ID, group are documented in "fix"_fix.html command :ulb,l
 precession/spin = style name of this fix command :l
 style = {zeeman} or {anisotropy} :l
-  {zeeman} args = H x y z 
+  {zeeman} args = H x y z
     H = intensity of the magnetic field (in Tesla)
     x y z = vector direction of the field
   {anisotropy} args = K x y z
@@ -26,43 +26,43 @@ style = {zeeman} or {anisotropy} :l
 [Examples:]
 
 fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0
-fix 1 all precession/spin anisotropy 0.001 0.0 0.0 1.0 
+fix 1 all precession/spin anisotropy 0.001 0.0 0.0 1.0
 fix 1 all precession/spin zeeman 0.1 0.0 0.0 1.0 anisotropy 0.001 0.0 0.0 1.0 :pre
 
 [Description:]
 
 Impose a force torque to each magnetic spin in the group.
 
-Style {zeeman} is used for the simulation of the interaction 
-between the magnetic spins in the defined group and an external 
+Style {zeeman} is used for the simulation of the interaction
+between the magnetic spins in the defined group and an external
 magnetic field:
 
 :c,image(Eqs/force_spin_zeeman.jpg)
 
-with mu0 the vacuum permeability, muB the Bohr magneton (muB = 5.788 eV/T 
-in metal units). 
+with mu0 the vacuum permeability, muB the Bohr magneton (muB = 5.788 eV/T
+in metal units).
 
-Style {anisotropy} is used to simulate an easy axis or an easy plane 
-for the magnetic spins in the defined group: 
+Style {anisotropy} is used to simulate an easy axis or an easy plane
+for the magnetic spins in the defined group:
 
 :c,image(Eqs/force_spin_aniso.jpg)
 
-with n defining the direction of the anisotropy, and K (in eV) its intensity. 
+with n defining the direction of the anisotropy, and K (in eV) its intensity.
 If K>0, an easy axis is defined, and if K<0, an easy plane is defined.
 
-In both cases, the choice of (x y z) imposes the vector direction for the force. 
-Only the direction of the vector is important; it's length is ignored.  
+In both cases, the choice of (x y z) imposes the vector direction for the force.
+Only the direction of the vector is important; it's length is ignored.
 
-Both styles can be combined within one single command line. 
+Both styles can be combined within one single command line.
 
 :line
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
-By default, the energy associated to this fix is not added to the potential 
-energy of the system. 
-The "fix_modify"_fix_modify.html {energy} option is supported by this fix 
-to add this magnetic potential energy to the potential energy of the system, 
+By default, the energy associated to this fix is not added to the potential
+energy of the system.
+The "fix_modify"_fix_modify.html {energy} option is supported by this fix
+to add this magnetic potential energy to the potential energy of the system,
 
 fix             1 all precession/spin zeeman 1.0 0.0 0.0 1.0
 fix_modify      1 energy yes :pre
diff --git a/doc/src/fix_rigid_meso.txt b/doc/src/fix_rigid_meso.txt
index b0a7e3cf9e..d86d359f1d 100644
--- a/doc/src/fix_rigid_meso.txt
+++ b/doc/src/fix_rigid_meso.txt
@@ -345,5 +345,5 @@ torque. Also reinit = yes.
 :line
 
 :link(Miller)
-[(Miller)] Miller, Eleftheriou, Pattnaik, Ndirango, and Newns, 
+[(Miller)] Miller, Eleftheriou, Pattnaik, Ndirango, and Newns,
 J Chem Phys, 116, 8649 (2002).
diff --git a/doc/src/improper_inversion_harmonic.txt b/doc/src/improper_inversion_harmonic.txt
index 43ffdeb8e9..857eaecc5f 100644
--- a/doc/src/improper_inversion_harmonic.txt
+++ b/doc/src/improper_inversion_harmonic.txt
@@ -15,7 +15,7 @@ improper_style inversion/harmonic :pre
 [Examples:]
 
 improper_style inversion/harmonic
-improper_coeff 1 18.776340 0.000000 :pre 
+improper_coeff 1 18.776340 0.000000 :pre
 
 [Description:]
 
@@ -24,15 +24,15 @@ out-of-plane angle definition and uses an harmonic potential:
 
 :c,image(Eqs/improper_inversion_harmonic.jpg)
 
-where K is the force constant and omega is the angle evaluated for 
+where K is the force constant and omega is the angle evaluated for
 all three axis-plane combinations centered around the atom I.  For
 the IL axis and the IJK plane omega looks as follows:
 
 :c,image(Eqs/umbrella.jpg)
 
-Note that the {inversion/harmonic} angle term evaluation differs to 
-the "improper_umbrella"_improper_umbrella.html due to the cyclic 
-evaluation of all possible angles omega. 
+Note that the {inversion/harmonic} angle term evaluation differs to
+the "improper_umbrella"_improper_umbrella.html due to the cyclic
+evaluation of all possible angles omega.
 
 The following coefficients must be defined for each improper type via
 the "improper_coeff"_improper_coeff.html command as in the example
@@ -45,7 +45,7 @@ omega0 (degrees) :ul
 
 If omega0 = 0 the potential term has a minimum for the planar
 structure.  Otherwise it has two minima at +/- omega0, with a barrier
-in between. 
+in between.
 
 :line
 
diff --git a/doc/src/kspace_modify.txt b/doc/src/kspace_modify.txt
index c4bd4db3ee..65b2174334 100644
--- a/doc/src/kspace_modify.txt
+++ b/doc/src/kspace_modify.txt
@@ -58,7 +58,7 @@ keyword = {collective} or {compute} or {cutoff/adjust} or {diff} or {disp/auto}
 [Examples:]
 
 kspace_modify mesh 24 24 30 order 6
-kspace_modify slab 3.0 
+kspace_modify slab 3.0
 kspace_modify scafacos tolerance energy :pre
 
 [Description:]
@@ -328,8 +328,8 @@ The values with suffix _rel indicate the tolerance is a relative
 tolerance; the other values impose an absolute tolerance on the given
 quantity. Absolute tolerance in this case means, that for a given
 quantity q and a given absolute tolerance of t_a the result should
-be between q-t_a and q+t_a. For a relative tolerance t_r the relative 
-error should not be greater than t_r, i.e. abs(1 - (result/q)) < t_r. 
+be between q-t_a and q+t_a. For a relative tolerance t_r the relative
+error should not be greater than t_r, i.e. abs(1 - (result/q)) < t_r.
 As a consequence of this, the tolerance type should be checked, when
 performing computations with a high absolute field / energy. E.g.
 if the total energy in the system is 1000000.0 an absolute tolerance
diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt
index fdf78ce4ec..d676beff16 100644
--- a/doc/src/kspace_style.txt
+++ b/doc/src/kspace_style.txt
@@ -58,7 +58,7 @@ style = {none} or {ewald} or {ewald/disp} or {ewald/omp} or {pppm} or {pppm/cg}
     accuracy = desired relative error in forces
     smallq = cutoff for charges to be considered (optional) (charge units)
   {scafacos} values = method accuracy
-    method = fmm or p2nfft or ewald or direct 
+    method = fmm or p2nfft or ewald or direct
     accuracy = desired relative error in forces :pre
 :ule
 
diff --git a/doc/src/message.txt b/doc/src/message.txt
index d258cfbd08..0c10af4ac6 100644
--- a/doc/src/message.txt
+++ b/doc/src/message.txt
@@ -26,7 +26,7 @@ mode = {file} or {zmq} or {mpi/one} or {mpi/two} :l
 :ule
 
 [Examples:]
-  
+
 message client md file tmp.couple
 message server md file tmp.couple :pre
 
diff --git a/doc/src/package.txt b/doc/src/package.txt
index f9ed0734c9..c226d7942f 100644
--- a/doc/src/package.txt
+++ b/doc/src/package.txt
@@ -488,7 +488,7 @@ packing/unpacking operation.
 
 The optimal choice for these keywords depends on the input script and
 the hardware used.  The {no} value is useful for verifying that the
-Kokkos-based {host} and {device} values are working correctly. 
+Kokkos-based {host} and {device} values are working correctly.
 It may also be the fastest choice when using Kokkos styles in
 MPI-only mode (i.e. with a thread count of 1).
 
diff --git a/doc/src/pair_airebo.txt b/doc/src/pair_airebo.txt
index c090a39af7..3708fb287d 100644
--- a/doc/src/pair_airebo.txt
+++ b/doc/src/pair_airebo.txt
@@ -103,7 +103,7 @@ would be 10.2 Angstroms.
 
 By default, the longer-ranged interaction is smoothly switched off
 between 2.16 and 3.0 sigma. By specifying {cutoff_min} in addition
-to {cutoff}, the switching can be configured to take place between 
+to {cutoff}, the switching can be configured to take place between
 {cutoff_min} and {cutoff}. {cutoff_min} can only be specified if all
 optional arguments are given.
 
diff --git a/doc/src/pair_buck6d_coul_gauss.txt b/doc/src/pair_buck6d_coul_gauss.txt
index 21de3330f4..1f013e91ef 100644
--- a/doc/src/pair_buck6d_coul_gauss.txt
+++ b/doc/src/pair_buck6d_coul_gauss.txt
@@ -37,55 +37,55 @@ pair_coeff 1  1  1030.  3.061  457.179  4.521  0.608 :pre
 
 The {buck6d/coul/gauss} styles evaluate vdW and Coulomb
 interactions following the MOF-FF force field after
-"(Schmid)"_#Schmid. The vdW term of the {buck6d} styles 
+"(Schmid)"_#Schmid. The vdW term of the {buck6d} styles
 computes a dispersion damped Buckingham potential:
 
 :c,image(Eqs/pair_buck6d.jpg)
 
-where A and C are a force constant, kappa is an ionic-pair dependent 
-reciprocal length parameter, D is a dispersion correction parameter, 
+where A and C are a force constant, kappa is an ionic-pair dependent
+reciprocal length parameter, D is a dispersion correction parameter,
 and the cutoff Rc truncates the interaction distance.
-The first term in the potential corresponds to the Buckingham 
-repulsion term and the second term to the dispersion attraction with 
-a damping correction analog to the Grimme correction used in DFT.  
-The latter corrects for artifacts occurring at short distances which 
-become an issue for soft vdW potentials. 
+The first term in the potential corresponds to the Buckingham
+repulsion term and the second term to the dispersion attraction with
+a damping correction analog to the Grimme correction used in DFT.
+The latter corrects for artifacts occurring at short distances which
+become an issue for soft vdW potentials.
 
-The {buck6d} styles include a smoothing function which is invoked 
-according to the global smoothing parameter within the specified 
-cutoff.  Hereby a parameter of i.e. 0.9 invokes the smoothing 
+The {buck6d} styles include a smoothing function which is invoked
+according to the global smoothing parameter within the specified
+cutoff.  Hereby a parameter of i.e. 0.9 invokes the smoothing
 within 90% of the cutoff.  No smoothing is applied at a value
-of 1.0. For the {gauss/dsf} style this smoothing is only applicable 
+of 1.0. For the {gauss/dsf} style this smoothing is only applicable
 for the dispersion damped Buckingham potential. For the {gauss/long}
 styles the smoothing function can also be invoked for the real
-space coulomb interactions which enforce continuous energies and 
+space coulomb interactions which enforce continuous energies and
 forces at the cutoff.
 
-Both styles {buck6d/coul/gauss/dsf} and {buck6d/coul/gauss/long} 
-evaluate a Coulomb potential using spherical Gaussian type charge 
-distributions which effectively dampen electrostatic interactions 
+Both styles {buck6d/coul/gauss/dsf} and {buck6d/coul/gauss/long}
+evaluate a Coulomb potential using spherical Gaussian type charge
+distributions which effectively dampen electrostatic interactions
 for high charges at close distances.  The electrostatic potential
 is thus evaluated as:
 
 :c,image(Eqs/pair_coul_gauss.jpg)
 
-where C is an energy-conversion constant, Qi and Qj are the 
-charges on the 2 atoms, epsilon is the dielectric constant which 
-can be set by the "dielectric"_dielectric.html command, alpha is 
-ion pair dependent damping parameter and erf() is the error-function.  
+where C is an energy-conversion constant, Qi and Qj are the
+charges on the 2 atoms, epsilon is the dielectric constant which
+can be set by the "dielectric"_dielectric.html command, alpha is
+ion pair dependent damping parameter and erf() is the error-function.
 The cutoff Rc truncates the interaction distance.
 
 The style {buck6d/coul/gauss/dsf} computes the Coulomb interaction
-via the damped shifted force model described in "(Fennell)"_#Fennell 
+via the damped shifted force model described in "(Fennell)"_#Fennell
 approximating an Ewald sum similar to the "pair coul/dsf"_pair_coul.html
-styles. In {buck6d/coul/gauss/long} an additional damping factor is 
-applied to the Coulombic term so it can be used in conjunction with the 
-"kspace_style"_kspace_style.html command and its {ewald} or {pppm} 
-options. The Coulombic cutoff in this case separates the real and 
+styles. In {buck6d/coul/gauss/long} an additional damping factor is
+applied to the Coulombic term so it can be used in conjunction with the
+"kspace_style"_kspace_style.html command and its {ewald} or {pppm}
+options. The Coulombic cutoff in this case separates the real and
 reciprocal space evaluation of the Ewald sum.
 
 If one cutoff is specified it is used for both the vdW and Coulomb
-terms.  If two cutoffs are specified, the first is used as the cutoff 
+terms.  If two cutoffs are specified, the first is used as the cutoff
 for the vdW terms, and the second is the cutoff for the Coulombic term.
 
 The following coefficients must be defined for each pair of atoms
@@ -101,9 +101,9 @@ D (distance^14 units)
 alpha (distance^-1 units)
 cutoff (distance units) :ul
 
-The second coefficient, rho, must be greater than zero. The latter 
-coefficient is optional.  If not specified, the global vdW cutoff 
-is used. 
+The second coefficient, rho, must be greater than zero. The latter
+coefficient is optional.  If not specified, the global vdW cutoff
+is used.
 
 :line
 
diff --git a/doc/src/pair_cs.txt b/doc/src/pair_cs.txt
index 830e0586d2..5fce65d6f7 100644
--- a/doc/src/pair_cs.txt
+++ b/doc/src/pair_cs.txt
@@ -95,7 +95,7 @@ the "/cs" in the name:
 
 except that they correctly treat the special case where the distance
 between two charged core and shell atoms in the same core/shell pair
-approach r = 0.0.  
+approach r = 0.0.
 
 Styles with a "/long" in the name are used with a long-range solver
 for Coulombic interactions via the "kspace_style"_kspace_style.html
diff --git a/doc/src/pair_extep.txt b/doc/src/pair_extep.txt
index 3acad1132d..5d69df69e9 100644
--- a/doc/src/pair_extep.txt
+++ b/doc/src/pair_extep.txt
@@ -35,6 +35,6 @@ interactions as described in "(Los2017)"_#Los2017.
 :line
 
 :link(Los2017)
-[(Los2017)] J. H. Los et al. "Extended Tersoff potential for boron nitride: 
-Energetics and elastic properties of pristine and defective h-BN", 
+[(Los2017)] J. H. Los et al. "Extended Tersoff potential for boron nitride:
+Energetics and elastic properties of pristine and defective h-BN",
 Phys. Rev. B 96 (184108), 2017.
diff --git a/doc/src/pair_ilp_graphene_hbn.txt b/doc/src/pair_ilp_graphene_hbn.txt
index f9b500d066..a8d74dca0f 100644
--- a/doc/src/pair_ilp_graphene_hbn.txt
+++ b/doc/src/pair_ilp_graphene_hbn.txt
@@ -13,7 +13,7 @@ pair_style ilp/graphene/hbn command :h3
 pair_style hybrid/overlay ilp/graphene/hbn cutoff tap_flag :pre
 
 cutoff = global cutoff (distance units)
-tap_flag = 0/1 to turn off/on the taper function 
+tap_flag = 0/1 to turn off/on the taper function
 
 [Examples:]
 
diff --git a/doc/src/pair_kolmogorov_crespi_full.txt b/doc/src/pair_kolmogorov_crespi_full.txt
index df9a9696be..a13825abe5 100644
--- a/doc/src/pair_kolmogorov_crespi_full.txt
+++ b/doc/src/pair_kolmogorov_crespi_full.txt
@@ -13,7 +13,7 @@ pair_style kolmogorov/crespi/full command :h3
 pair_style hybrid/overlay kolmogorov/crespi/full cutoff tap_flag :pre
 
 cutoff = global cutoff (distance units)
-tap_flag = 0/1 to turn off/on the taper function 
+tap_flag = 0/1 to turn off/on the taper function
 
 [Examples:]
 
diff --git a/doc/src/pair_meam.txt b/doc/src/pair_meam.txt
index 0b1c1ac767..b4893d1db1 100644
--- a/doc/src/pair_meam.txt
+++ b/doc/src/pair_meam.txt
@@ -179,7 +179,7 @@ selected starting from 1. Thus for the example given below
 
 pair_coeff * * library.meam Si C sic.meam Si Si Si C :pre
 
-an index of 1 would refer to Si and an index of 2 to C. 
+an index of 1 would refer to Si and an index of 2 to C.
 
 The recognized keywords for the parameter file are as follows:
 
diff --git a/doc/src/pair_meso.txt b/doc/src/pair_meso.txt
index 005498d8bf..54186a0e75 100644
--- a/doc/src/pair_meso.txt
+++ b/doc/src/pair_meso.txt
@@ -24,7 +24,7 @@ args = list of arguments for a particular style :l
     T = temperature (temperature units)
     cutoff = global cutoff for mDPD interactions (distance units)
     seed = random # seed (integer) (if <= 0, mDPD will use current time as the seed)
-  {mdpd/rhosum} args = 
+  {mdpd/rhosum} args =
   {tdpd} args = T cutoff seed
     T = temperature (temperature units)
     cutoff = global cutoff for tDPD interactions (distance units)
@@ -43,7 +43,7 @@ pair_coeff 1 1 mdpd/rhosum  0.75
 pair_coeff 1 1 mdpd -40.0 25.0 18.0 1.0 0.75 :pre
 
 pair_style tdpd 1.0 1.58 935662
-pair_coeff * * 18.75 4.5 0.41 1.58 1.58 1.0 1.0E-5 2.0 
+pair_coeff * * 18.75 4.5 0.41 1.58 1.58 1.0 1.0E-5 2.0
 pair_coeff 1 1 18.75 4.5 0.41 1.58 1.58 1.0 1.0E-5 2.0 3.0 1.0E-5 2.0 :pre
 
 [Description:]
@@ -73,7 +73,7 @@ heat flux <font size="4">q<sup>V</sup></font>, and random heat flux
 
 :c,image(Eqs/pair_edpd_heat.jpg)
 
-where the mesoscopic heat friction <font size="4">&kappa;</font> is given by 
+where the mesoscopic heat friction <font size="4">&kappa;</font> is given by
 
 :c,image(Eqs/pair_edpd_kappa.jpg)
 
@@ -84,7 +84,7 @@ The following coefficients must be defined in eDPD system for each
 pair of atom types via the "pair_coeff"_pair_coeff.html command as in
 the examples above.
 
-A (force units) 
+A (force units)
 gamma (force/velocity units)
 power_f (positive real)
 cutoff (distance units)
@@ -172,7 +172,7 @@ size="4"><i>m</i><sub>s</sub></font> is much smaller than the mass of
 a tDPD particle <font size="4"><i>m</i></font>. For more details, see
 "(Li2015_JCP)"_#Li2015_JCP.
 
-The following coefficients must be defined for each pair of atom types via the 
+The following coefficients must be defined for each pair of atom types via the
 "pair_coeff"_pair_coeff.html command as in the examples above.
 
 A (force units)
@@ -250,10 +250,10 @@ more info.
 
 [Related commands:]
 
-"pair_coeff"_pair_coeff.html, "fix mvv/dpd"_fix_mvv_dpd.html, 
+"pair_coeff"_pair_coeff.html, "fix mvv/dpd"_fix_mvv_dpd.html,
 "fix mvv/edpd"_fix_mvv_dpd.html, "fix mvv/tdpd"_fix_mvv_dpd.html,
-"fix edpd/source"_fix_dpd_source.html, "fix tdpd/source"_fix_dpd_source.html, 
-"compute edpd/temp/atom"_compute_edpd_temp_atom.html, 
+"fix edpd/source"_fix_dpd_source.html, "fix tdpd/source"_fix_dpd_source.html,
+"compute edpd/temp/atom"_compute_edpd_temp_atom.html,
 "compute tdpd/cc/atom"_compute_tdpd_cc_atom.html
 
 [Default:] none
diff --git a/doc/src/pair_oxdna.txt b/doc/src/pair_oxdna.txt
index 153fc50189..b63b5371cf 100644
--- a/doc/src/pair_oxdna.txt
+++ b/doc/src/pair_oxdna.txt
@@ -25,10 +25,10 @@ args = list of arguments for these particular styles :ul
 
   {oxdna/stk} args = seq T 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
     seq = seqav (for average sequence stacking strength) or seqdep (for sequence-dependent stacking strength)
-    T = temperature (oxDNA units, 0.1 = 300 K) 
+    T = temperature (oxDNA units, 0.1 = 300 K)
   {oxdna/hbond} args = seq eps 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
     seq = seqav (for average sequence base-pairing strength) or seqdep (for sequence-dependent base-pairing strength)
-    eps = 1.077 (between base pairs A-T and C-G) or 0 (all other pairs) :pre 
+    eps = 1.077 (between base pairs A-T and C-G) or 0 (all other pairs) :pre
 
 [Examples:]
 
@@ -72,8 +72,8 @@ Example input and data files for DNA duplexes can be found in examples/USER/cgdn
 A simple python setup tool which creates single straight or helical DNA strands,
 DNA duplexes or arrays of DNA duplexes can be found in examples/USER/cgdna/util/.
 
-Please cite "(Henrich)"_#Henrich1 and the relevant oxDNA articles in any publication that uses this implementation. 
-The article contains more information on the model, the structure of the input file, the setup tool 
+Please cite "(Henrich)"_#Henrich1 and the relevant oxDNA articles in any publication that uses this implementation.
+The article contains more information on the model, the structure of the input file, the setup tool
 and the performance of the LAMMPS-implementation of oxDNA.
 The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
diff --git a/doc/src/pair_oxdna2.txt b/doc/src/pair_oxdna2.txt
index a928bdf886..f2963f7b17 100644
--- a/doc/src/pair_oxdna2.txt
+++ b/doc/src/pair_oxdna2.txt
@@ -69,7 +69,7 @@ NOTE: These pair styles have to be used together with the related oxDNA2 bond st
 "bond_style oxdna2/fene"_bond_oxdna.html). Most of the coefficients
 in the above example have to be kept fixed and cannot be changed without reparameterizing the entire model.
 Exceptions are the first and the second coefficient after {oxdna2/stk} (seq=seqdep and T=0.1 in the above example),
-the first coefficient after {oxdna/hbond} (seq=seqdep in the above example) and the three coefficients 
+the first coefficient after {oxdna/hbond} (seq=seqdep in the above example) and the three coefficients
 after {oxdna2/dh} (T=0.1, rhos=1.0, qeff=0.815 in the above example). When using a Langevin thermostat
 e.g. through "fix langevin"_fix_langevin.html or "fix nve/dotc/langevin"_fix_nve_dotc_langevin.html
 the temperature coefficients have to be matched to the one used in the fix.
@@ -78,8 +78,8 @@ Example input and data files for DNA duplexes can be found in examples/USER/cgdn
 A simple python setup tool which creates single straight or helical DNA strands,
 DNA duplexes or arrays of DNA duplexes can be found in examples/USER/cgdna/util/.
 
-Please cite "(Henrich)"_#Henrich and the relevant oxDNA articles in any publication that uses this implementation. 
-The article contains more information on the model, the structure of the input file, the setup tool 
+Please cite "(Henrich)"_#Henrich and the relevant oxDNA articles in any publication that uses this implementation.
+The article contains more information on the model, the structure of the input file, the setup tool
 and the performance of the LAMMPS-implementation of oxDNA.
 The preprint version of the article can be found "here"_PDF/USER-CGDNA.pdf.
 
diff --git a/doc/src/pair_spin_dmi.txt b/doc/src/pair_spin_dmi.txt
index a040f27d68..bc67e43ecd 100644
--- a/doc/src/pair_spin_dmi.txt
+++ b/doc/src/pair_spin_dmi.txt
@@ -25,44 +25,44 @@ pair_coeff 1 2 dmi 4.0 0.00109 0.0 0.0 1.0 :pre
 [Description:]
 
 Style {spin/dmi} computes the Dzyaloshinskii-Moriya (DM) interaction
-between pairs of magnetic spins. 
+between pairs of magnetic spins.
 According to the expression reported in "(Rohart)"_#Rohart, one has
 the following DM energy:
 
 :c,image(Eqs/pair_spin_dmi_interaction.jpg)
 
-where si and sj are two neighboring magnetic spins of two particles, 
+where si and sj are two neighboring magnetic spins of two particles,
 eij = (ri - rj)/|ri-rj| is the unit vector between sites i and j,
-and D is the DM vector defining the intensity (in eV) and the direction 
+and D is the DM vector defining the intensity (in eV) and the direction
 of the interaction.
 
-In "(Rohart)"_#Rohart, D is defined as the direction normal to the film oriented 
+In "(Rohart)"_#Rohart, D is defined as the direction normal to the film oriented
 from the high spin-orbit layer to the magnetic ultra-thin film.
 
 The application of a spin-lattice Poisson bracket to this energy (as described
 in "(Tranchida)"_#Tranchida5) allows to derive a magnetic torque omega, and a
-mechanical force F (for spin-lattice calculations only) for each magnetic 
-particle i: 
+mechanical force F (for spin-lattice calculations only) for each magnetic
+particle i:
 
 :c,image(Eqs/pair_spin_dmi_forces.jpg)
 
 More details about the derivation of these torques/forces are reported in
 "(Tranchida)"_#Tranchida5.
 
-For the {spin/dmi} pair style, the following coefficients must be defined for 
-each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in 
-the examples above, or in the data file or restart files read by the 
-"read_data"_read_data.html or "read_restart"_read_restart.html commands, and 
-set in the following order: 
+For the {spin/dmi} pair style, the following coefficients must be defined for
+each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in
+the examples above, or in the data file or restart files read by the
+"read_data"_read_data.html or "read_restart"_read_restart.html commands, and
+set in the following order:
 
 rc (distance units)
 |D| (energy units)
 Dx, Dy, Dz  (direction of D) :ul
 
-Note that rc is the radius cutoff of the considered DM interaction, |D| is 
-the norm of the DM vector (in eV), and Dx, Dy and Dz define its direction. 
+Note that rc is the radius cutoff of the considered DM interaction, |D| is
+the norm of the DM vector (in eV), and Dx, Dy and Dz define its direction.
 
-None of those coefficients is optional.  If not specified, the {spin/dmi} 
+None of those coefficients is optional.  If not specified, the {spin/dmi}
 pair style cannot be used.
 
 :line
@@ -76,7 +76,7 @@ package"_Build_package.html doc page for more info.
 
 [Related commands:]
 
-"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html, 
+"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
 "pair_eam"_pair_eam.html,
 
 [Default:] none
diff --git a/doc/src/pair_spin_exchange.txt b/doc/src/pair_spin_exchange.txt
index fdbac9df3e..10d65a55a1 100644
--- a/doc/src/pair_spin_exchange.txt
+++ b/doc/src/pair_spin_exchange.txt
@@ -24,14 +24,14 @@ pair_coeff 1 2 exchange 6.0 -0.01575 0.0 1.965 :pre
 
 [Description:]
 
-Style {spin/exchange} computes the exchange interaction between 
+Style {spin/exchange} computes the exchange interaction between
 pairs of magnetic spins:
 
 :c,image(Eqs/pair_spin_exchange_interaction.jpg)
 
-where si and sj are two neighboring magnetic spins of two particles, 
+where si and sj are two neighboring magnetic spins of two particles,
 rij = ri - rj is the inter-atomic distance between the two particles,
-and J(rij) is a function defining the intensity and the sign of the exchange 
+and J(rij) is a function defining the intensity and the sign of the exchange
 interaction for different neighboring shells. This function is defined as:
 
 :c,image(Eqs/pair_spin_exchange_function.jpg)
@@ -44,35 +44,35 @@ the value of the exchange interaction for the N neighbor shells taken into accou
 Examples and more explanations about this function and its parameterization are reported
 in "(Tranchida)"_#Tranchida3.
 
-From this exchange interaction, each spin i will be submitted 
+From this exchange interaction, each spin i will be submitted
 to a magnetic torque omega, and its associated atom can be submitted to a
 force F for spin-lattice calculations (see "fix_nve_spin"_fix_nve_spin.html),
 such as:
 
 :c,image(Eqs/pair_spin_exchange_forces.jpg)
 
-with h the Planck constant (in metal units), and eij = (ri - rj)/|ri-rj| the unit 
+with h the Planck constant (in metal units), and eij = (ri - rj)/|ri-rj| the unit
 vector between sites i and j.
 
 More details about the derivation of these torques/forces are reported in
 "(Tranchida)"_#Tranchida3.
 
-For the {spin/exchange} pair style, the following coefficients must be defined 
-for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in 
-the examples above, or in the data file or restart files read by the 
-"read_data"_read_data.html or "read_restart"_read_restart.html commands, and 
-set in the following order: 
+For the {spin/exchange} pair style, the following coefficients must be defined
+for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in
+the examples above, or in the data file or restart files read by the
+"read_data"_read_data.html or "read_restart"_read_restart.html commands, and
+set in the following order:
 
 rc (distance units)
 a  (energy units)
-b  (adim parameter) 
+b  (adim parameter)
 d  (distance units) :ul
 
 Note that rc is the radius cutoff of the considered exchange interaction,
 and a, b and d are the three coefficients performing the parameterization
 of the function J(rij) defined above.
 
-None of those coefficients is optional. If not specified, the 
+None of those coefficients is optional. If not specified, the
 {spin/exchange} pair style cannot be used.
 
 :line
@@ -86,7 +86,7 @@ package"_Build_package.html doc page for more info.
 
 [Related commands:]
 
-"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html, 
+"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
 "pair_eam"_pair_eam.html,
 
 [Default:] none
diff --git a/doc/src/pair_spin_magelec.txt b/doc/src/pair_spin_magelec.txt
index 360f440792..151ecdec3d 100644
--- a/doc/src/pair_spin_magelec.txt
+++ b/doc/src/pair_spin_magelec.txt
@@ -25,7 +25,7 @@ pair_coeff * * magelec 4.5 0.00109 1.0 1.0 1.0 :pre
 
 Style {spin/me} computes a magneto-electric interaction between
 pairs of magnetic spins. According to the derivation reported in
-"(Katsura)"_#Katsura1, this interaction is defined as: 
+"(Katsura)"_#Katsura1, this interaction is defined as:
 
 :c,image(Eqs/pair_spin_me_interaction.jpg)
 
@@ -69,5 +69,5 @@ package"_Build_package.html doc page for more info.
 [(Katsura)] H. Katsura, N. Nagaosa, A.V. Balatsky. Phys. Rev. Lett., 95(5), 057205. (2005)
 
 :link(Tranchida4)
-[(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson, 
+[(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson,
 Journal of Computational Physics, (2018).
diff --git a/doc/src/pair_spin_neel.txt b/doc/src/pair_spin_neel.txt
index 4458a0767b..8e2242f013 100644
--- a/doc/src/pair_spin_neel.txt
+++ b/doc/src/pair_spin_neel.txt
@@ -24,8 +24,8 @@ pair_coeff 1 2 neel 4.0 0.0048 0.234 1.168 0.0 0.0 1.0 :pre
 
 [Description:]
 
-Style {spin/neel} computes the Neel pair anisotropy model 
-between pairs of magnetic spins: 
+Style {spin/neel} computes the Neel pair anisotropy model
+between pairs of magnetic spins:
 
 :c,image(Eqs/pair_spin_neel_interaction.jpg)
 
@@ -71,7 +71,7 @@ package"_Build_package.html doc page for more info.
 
 [Related commands:]
 
-"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html, 
+"atom_style spin"_atom_style.html, "pair_coeff"_pair_coeff.html,
 "pair_eam"_pair_eam.html,
 
 [Default:] none
diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt
index 00cbbb04c0..46a4f31dd4 100644
--- a/doc/src/pair_style.txt
+++ b/doc/src/pair_style.txt
@@ -232,7 +232,7 @@ accelerated styles exist.
 "meam/sw/spline"_pair_meam_sw_spline.html - splined version of MEAM with a Stillinger-Weber term
 "mgpt"_pair_mgpt.html - simplified model generalized pseudopotential theory (MGPT) potential
 "mie/cut"_pair_mie.html - Mie potential
-"momb"_pair_momb.html - Many-Body Metal-Organic (MOMB) force field 
+"momb"_pair_momb.html - Many-Body Metal-Organic (MOMB) force field
 "morse"_pair_morse.html - Morse potential
 "morse/smooth/linear"_pair_morse.html - linear smoothed Morse potential
 "morse/soft"_pair_morse.html - Morse potential with a soft core
@@ -242,64 +242,64 @@ accelerated styles exist.
 "nm/cut"_pair_nm.html - N-M potential
 "nm/cut/coul/cut"_pair_nm.html - N-M potential with cutoff Coulomb
 "nm/cut/coul/long"_pair_nm.html - N-M potential with long-range Coulombics
-"oxdna/coaxstk"_pair_oxdna.html - 
-"oxdna/excv"_pair_oxdna.html - 
-"oxdna/hbond"_pair_oxdna.html - 
-"oxdna/stk"_pair_oxdna.html - 
-"oxdna/xstk"_pair_oxdna.html - 
-"oxdna2/coaxstk"_pair_oxdna2.html - 
-"oxdna2/dh"_pair_oxdna2.html - 
-"oxdna2/excv"_pair_oxdna2.html - 
-"oxdna2/hbond"_pair_oxdna2.html - 
-"oxdna2/stk"_pair_oxdna2.html - 
-"oxdna2/xstk"_pair_oxdna2.html - 
+"oxdna/coaxstk"_pair_oxdna.html -
+"oxdna/excv"_pair_oxdna.html -
+"oxdna/hbond"_pair_oxdna.html -
+"oxdna/stk"_pair_oxdna.html -
+"oxdna/xstk"_pair_oxdna.html -
+"oxdna2/coaxstk"_pair_oxdna2.html -
+"oxdna2/dh"_pair_oxdna2.html -
+"oxdna2/excv"_pair_oxdna2.html -
+"oxdna2/hbond"_pair_oxdna2.html -
+"oxdna2/stk"_pair_oxdna2.html -
+"oxdna2/xstk"_pair_oxdna2.html -
 "peri/eps"_pair_peri.html - peridynamic EPS potential
 "peri/lps"_pair_peri.html - peridynamic LPS potential
 "peri/pmb"_pair_peri.html - peridynamic PMB potential
 "peri/ves"_pair_peri.html - peridynamic VES potential
 "polymorphic"_pair_polymorphic.html - polymorphic 3-body potential
-"python"_pair_python.html - 
-"quip"_pair_quip.html - 
+"python"_pair_python.html -
+"quip"_pair_quip.html -
 "reax"_pair_reax.html - ReaxFF potential in Fortran
 "reax/c"_pair_reaxc.html - ReaxFF potential in C
 "rebo"_pair_airebo.html - 2nd generation REBO potential of Brenner
 "resquared"_pair_resquared.html - Everaers RE-Squared ellipsoidal potential
 "sdpd/taitwater/isothermal"_pair_sdpd_taitwater_isothermal.html - smoothed dissipative particle dynamics for water at isothermal conditions
-"smd/hertz"_pair_smd_hertz.html - 
-"smd/tlsph"_pair_smd_tlsph.html - 
-"smd/tri_surface"_pair_smd_triangulated_surface.html - 
-"smd/ulsph"_pair_smd_ulsph.html - 
-"smtbq"_pair_smtbq.html - 
+"smd/hertz"_pair_smd_hertz.html -
+"smd/tlsph"_pair_smd_tlsph.html -
+"smd/tri_surface"_pair_smd_triangulated_surface.html -
+"smd/ulsph"_pair_smd_ulsph.html -
+"smtbq"_pair_smtbq.html -
 "snap"_pair_snap.html - SNAP quantum-accurate potential
 "soft"_pair_soft.html - Soft (cosine) potential
-"sph/heatconduction"_pair_sph_heatconduction.html - 
-"sph/idealgas"_pair_sph_idealgas.html - 
-"sph/lj"_pair_sph_lj.html - 
-"sph/rhosum"_pair_sph_rhosum.html - 
-"sph/taitwater"_pair_sph_taitwater.html - 
-"sph/taitwater/morris"_pair_sph_taitwater_morris.html - 
-"spin/dmi"_pair_spin_dmi.html - 
-"spin/exchange"_pair_spin_exchange.html - 
-"spin/magelec"_pair_spin_magelec.html - 
-"spin/neel"_pair_spin_neel.html - 
-"srp"_pair_srp.html - 
+"sph/heatconduction"_pair_sph_heatconduction.html -
+"sph/idealgas"_pair_sph_idealgas.html -
+"sph/lj"_pair_sph_lj.html -
+"sph/rhosum"_pair_sph_rhosum.html -
+"sph/taitwater"_pair_sph_taitwater.html -
+"sph/taitwater/morris"_pair_sph_taitwater_morris.html -
+"spin/dmi"_pair_spin_dmi.html -
+"spin/exchange"_pair_spin_exchange.html -
+"spin/magelec"_pair_spin_magelec.html -
+"spin/neel"_pair_spin_neel.html -
+"srp"_pair_srp.html -
 "sw"_pair_sw.html - Stillinger-Weber 3-body potential
 "table"_pair_table.html - tabulated pair potential
-"table/rx"_pair_table_rx.html - 
+"table/rx"_pair_table_rx.html -
 "tdpd"_pair_meso.html - tDPD particle interactions
 "tersoff"_pair_tersoff.html - Tersoff 3-body potential
 "tersoff/mod"_pair_tersoff_mod.html - modified Tersoff 3-body potential
-"tersoff/mod/c"_pair_tersoff_mod.html - 
-"tersoff/table"_pair_tersoff.html - 
+"tersoff/mod/c"_pair_tersoff_mod.html -
+"tersoff/table"_pair_tersoff.html -
 "tersoff/zbl"_pair_tersoff_zbl.html - Tersoff/ZBL 3-body potential
 "thole"_pair_thole.html - Coulomb interactions with thole damping
 "tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ
 "tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ
-"tip4p/long/soft"_pair_lj_soft.html - 
+"tip4p/long/soft"_pair_lj_soft.html -
 "tri/lj"_pair_tri_lj.html - LJ potential between triangles
-"ufm"_pair_ufm.html - 
+"ufm"_pair_ufm.html -
 "vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential
-"vashishta/table"_pair_vashishta.html - 
+"vashishta/table"_pair_vashishta.html -
 "yukawa"_pair_yukawa.html - Yukawa potential
 "yukawa/colloid"_pair_yukawa_colloid.html - screened Yukawa potential for finite-size particles
 "zbl"_pair_zbl.html - Ziegler-Biersack-Littmark potential :ul
diff --git a/doc/src/pair_ufm.txt b/doc/src/pair_ufm.txt
index 787c60a1bd..f0efcfbf19 100644
--- a/doc/src/pair_ufm.txt
+++ b/doc/src/pair_ufm.txt
@@ -37,7 +37,7 @@ Style {ufm} computes pairwise interactions using the Uhlenbeck-Ford model (UFM)
 
 where rc is the cutoff, sigma is a distance-scale and epsilon is an energy-scale, i.e., a product of Boltzmann constant kB, temperature T and the Uhlenbeck-Ford p-parameter which is responsible
 to control the softness of the interactions "(Paula Leite2017)"_#PL1.
-This model is useful as a reference system for fluid-phase free-energy calculations "(Paula Leite2016)"_#PL2. 
+This model is useful as a reference system for fluid-phase free-energy calculations "(Paula Leite2016)"_#PL2.
 
 The following coefficients must be defined for each pair of atom types
 via the "pair_coeff"_pair_coeff.html command as in the examples above,
diff --git a/doc/src/read_data.txt b/doc/src/read_data.txt
index 7669b78f85..30ee1201d9 100644
--- a/doc/src/read_data.txt
+++ b/doc/src/read_data.txt
@@ -553,7 +553,7 @@ bond: atom-ID molecule-ID atom-type x y z
 charge: atom-ID atom-type q x y z
 dipole: atom-ID atom-type q x y z mux muy muz
 dpd: atom-ID atom-type theta x y z
-edpd: atom-ID atom-type edpd_temp edpd_cv x y z 
+edpd: atom-ID atom-type edpd_temp edpd_cv x y z
 mdpd: atom-ID atom-type rho x y z
 tdpd: atom-ID atom-type x y z cc1 cc2 ... ccNspecies
 electron: atom-ID atom-type q spin eradius x y z
diff --git a/doc/src/server.txt b/doc/src/server.txt
index 86fb68d012..8f87b5c76b 100644
--- a/doc/src/server.txt
+++ b/doc/src/server.txt
@@ -15,7 +15,7 @@ server protocol :pre
 protocol = {md} or {mc} :ul
 
 [Examples:]
-  
+
 server md :pre
 
 [Description:]
diff --git a/doc/src/server_mc.txt b/doc/src/server_mc.txt
index 638d3dadfb..ef3c56f886 100644
--- a/doc/src/server_mc.txt
+++ b/doc/src/server_mc.txt
@@ -15,7 +15,7 @@ server mc :pre
 mc = the protocol argument to the "server"_server.html command
 
 [Examples:]
-  
+
 server mc :pre
 
 [Description:]
@@ -46,7 +46,7 @@ examples/COUPLE/lammps_mc/in.server.
 When using this command, LAMMPS (as the server code) receives
 instructions from a Monte Carlo (MC) driver to displace random atoms,
 compute the energy before and after displacement, and run dynamics to
-equilibrate the system.  
+equilibrate the system.
 
 The MC driver performs the random displacements on random atoms,
 accepts or rejects the move in an MC sense, and orchestrates the MD
@@ -83,7 +83,7 @@ cs->pack_int(1,nsteps)  # 1st field = # of timesteps to run MD :pre
 
 [Server replies]:
 
-cs->send(NATOMS,1)      # msgID = 1 with 1 field 
+cs->send(NATOMS,1)      # msgID = 1 with 1 field
 cs->pack_int(1,natoms)  # 1st field = number of atoms :pre
 
 cs->send(EINIT,2)         # msgID = 2 with 2 fields
diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt
index fc9ae5d53a..03f3db7e19 100644
--- a/doc/src/server_md.txt
+++ b/doc/src/server_md.txt
@@ -15,7 +15,7 @@ server md :pre
 md = the protocol argument to the "server"_server.html command
 
 [Examples:]
-  
+
 server md :pre
 
 [Description:]
diff --git a/doc/src/set.txt b/doc/src/set.txt
index b83ad54f4e..15c96071ae 100644
--- a/doc/src/set.txt
+++ b/doc/src/set.txt
@@ -245,13 +245,13 @@ many processors are being used.  This keyword does not allow use of an
 atom-style variable.
 
 Keyword {spin} uses the specified g value to set the magnitude of the
-magnetic spin vectors, and the x,y,z values as components of a vector 
-to set as the orientation of the magnetic spin vectors of the selected 
-atoms.  
+magnetic spin vectors, and the x,y,z values as components of a vector
+to set as the orientation of the magnetic spin vectors of the selected
+atoms.
 
 Keyword {spin/random} randomizes the orientation of the magnetic spin
-vectors for the selected atoms and sets the magnitude of each to the 
-specified {Dlen} value.  
+vectors for the selected atoms and sets the magnitude of each to the
+specified {Dlen} value.
 
 Keyword {quat} uses the specified values to create a quaternion
 (4-vector) that represents the orientation of the selected atoms.  The
diff --git a/doc/src/temper_npt.txt b/doc/src/temper_npt.txt
index 50ac5615f6..00a3e35ec3 100644
--- a/doc/src/temper_npt.txt
+++ b/doc/src/temper_npt.txt
@@ -23,7 +23,7 @@ index = which temperature (0 to N-1) I am simulating (optional) :ul
 [Examples:]
 
 temper/npt 100000 100 $t nptfix 0 58728 1
-temper/npt 2500000 1000 300 nptfix  0 32285 $p 
+temper/npt 2500000 1000 300 nptfix  0 32285 $p
 temper/npt 5000000 2000 $t nptfix 0 12523 1 $w :pre
 
 [Description:]
@@ -43,7 +43,7 @@ of pressure, this command works much like the "temper"_temper.html
 command. See the documentation on "temper"_temper.html for information
 on how the parallel tempering is handled in general.
 
-:line 
+:line
 
 [Restrictions:]
 
diff --git a/doc/src/write_data.txt b/doc/src/write_data.txt
index b6002b5252..a8168b70a0 100644
--- a/doc/src/write_data.txt
+++ b/doc/src/write_data.txt
@@ -87,7 +87,7 @@ are read in separately anyway, e.g. from an include file.
 The {nofix} keyword requests that no extra sections read by fixes
 should be written to the data file (see the {fix} option of the
 "read_data"_read_data.html command for details). For example, this
-option excludes sections for user-created per-atom properties 
+option excludes sections for user-created per-atom properties
 from "fix property/atom"_fix_property_atom.html.
 
 The {pair} keyword lets you specify in what format the pair

From 1ddbd24a4e271e98ce60e8aea1a63e813150a49a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 15:45:23 -0500
Subject: [PATCH 177/273] add missing include file

---
 src/write_coeff.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/write_coeff.cpp b/src/write_coeff.cpp
index 72b4835e55..83da6e4319 100644
--- a/src/write_coeff.cpp
+++ b/src/write_coeff.cpp
@@ -12,6 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
+#include <cstdlib>
 #include <unistd.h>
 #include "write_coeff.h"
 #include "pair.h"

From c61da28f0ae3d865c026a0e67bccc2379a4b370e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 17:03:09 -0500
Subject: [PATCH 178/273] allow building "fat" GPU binaries in CUDA mode,
 resulting in executables compatible with all GPUs supported by the used CUDA
 toolkit

---
 cmake/CMakeLists.txt | 41 +++++++++++++++++++++++++++++++++++++----
 1 file changed, 37 insertions(+), 4 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 3c431b0325..ce6bcb6bbf 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -1143,11 +1143,44 @@ if(PKG_GPU)
         file(GLOB GPU_LIB_CUDPP_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cu)
       endif()
 
-      cuda_compile_cubin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
-                   -DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR -arch=${GPU_ARCH} -D_${GPU_PREC_SETTING})
+      # build arch/gencode commands for nvcc based on CUDA toolkit version and use choice
+      # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture
+      set(GPU_CUDA_GENCODE "-arch=${GPU_ARCH} ")
+      # Fermi (GPU Arch 2.x) is supported by CUDA 3.2 to CUDA 8.0
+      if((CUDA_VERSION VERSION_GREATER "3.1") AND (CUDA_VERSION VERSION_LESS "9.0"))
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_20,code=[sm_20,compute_20] ")
+      endif()
+      # Kepler (GPU Arch 3.x) is supported by CUDA 5 and later
+      if(CUDA_VERSION VERSION_GREATER "4.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_30,code=[sm_30,compute_30] -gencode arch=compute_35,code=[sm_35,compute_35] ")
+      endif()
+      # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later
+      if(CUDA_VERSION VERSION_GREATER "5.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52] ")
+      endif()
+      # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later
+      if(CUDA_VERSION VERSION_GREATER "7.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61] ")
+      endif()
+      # Volta (GPU Arch 7.0) is supported by CUDA 9 and later
+      if(CUDA_VERSION VERSION_GREATER "8.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_70,code=[sm_70,compute_70] ")
+      endif()
+      # Turing (GPU Arch 7.5) is supported by CUDA 10 and later
+      if(CUDA_VERSION VERSION_GREATER "9.9")
+        string(APPEND GPU_CUDA_GENCODE "-gencode arch=compute_75,code=[sm_75,compute_75] ")
+      endif()
 
-      cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS $<$<BOOL:${BUILD_SHARED_LIBS}>:-Xcompiler=-fPIC>
-                   -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR -arch=${GPU_ARCH} -D_${GPU_PREC_SETTING})
+      cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
+              -DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+
+      if(${BUILD_SHARED_LIBS})
+        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS -Xcompiler=-fPIC
+                -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+      else()
+        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS
+                -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+      endif()
 
       foreach(CU_OBJ ${GPU_GEN_OBJS})
         get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)

From b3975f4b1453864cccacaa8738f402581b4baa77 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 17:03:32 -0500
Subject: [PATCH 179/273] reword a few options for clarity

---
 cmake/CMakeLists.txt | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index ce6bcb6bbf..311a57a27f 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -1026,7 +1026,7 @@ if(PKG_USER-INTEL)
     endif()
 
     if(CMAKE_CXX_COMPILER_VERSION VERSION_LESS 16)
-        message(FATAL_ERROR "USER-INTEL is needed at least 2016 intel compiler, found ${CMAKE_CXX_COMPILER_VERSION}")
+        message(FATAL_ERROR "USER-INTEL needs at least a 2016 intel compiler, found ${CMAKE_CXX_COMPILER_VERSION}")
     endif()
 
     if(NOT BUILD_OMP)
@@ -1091,7 +1091,7 @@ if(PKG_USER-INTEL)
 endif()
 
 if(PKG_GPU)
-    if (CMAKE_VERSION VERSION_LESS "3.1") 
+    if (CMAKE_VERSION VERSION_LESS "3.1")
       message(FATAL_ERROR "For the GPU package you need at least cmake-3.1")
     endif()
     set(GPU_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/GPU)
@@ -1126,11 +1126,11 @@ if(PKG_GPU)
       find_package(CUDA REQUIRED)
       find_program(BIN2C bin2c)
       if(NOT BIN2C)
-        message(FATAL_ERROR "Couldn't find bin2c, use -DBIN2C helping cmake to find it.")
+        message(FATAL_ERROR "Could not find bin2c, use -DBIN2C=/path/to/bin2c to help cmake finding it.")
       endif()
       option(CUDPP_OPT "Enable CUDPP_OPT" ON)
 
-      set(GPU_ARCH "sm_30" CACHE STRING "LAMMPS GPU CUDA SM architecture (e.g. sm_60)")
+      set(GPU_ARCH "sm_30" CACHE STRING "LAMMPS GPU CUDA SM primary architecture (e.g. sm_60)")
 
       file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu)
       list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu)

From e0ff23026870b8bd9060ce31823abaa414245d8d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 17:03:48 -0500
Subject: [PATCH 180/273] remove comment-in-comment

---
 lib/gpu/lal_device.cu | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/lib/gpu/lal_device.cu b/lib/gpu/lal_device.cu
index 6761b23fbb..37d0758845 100644
--- a/lib/gpu/lal_device.cu
+++ b/lib/gpu/lal_device.cu
@@ -11,7 +11,7 @@
 //
 //    begin                :
 //    email                : brownw@ornl.gov
-// ***************************************************************************/
+// ***************************************************************************
 
 #ifdef NV_KERNEL
 #include "lal_preprocessor.h"
@@ -42,3 +42,4 @@ __kernel void kernel_info(__global int *info) {
   info[13]=THREADS_PER_CHARGE;
   info[14]=BLOCK_ELLIPSE;
 }
+

From 55359789fb1d3e4f08faf46727c71cff6ff35822 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 18:13:50 -0500
Subject: [PATCH 181/273] improve docs for building the GPU library with CUDA
 and CMake/make with fat binaries

---
 doc/src/Build_extras.txt | 32 +++++++++++++++++++++++---------
 1 file changed, 23 insertions(+), 9 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index bc03b5c8ce..fb2fe95341 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -87,22 +87,30 @@ which GPU hardware to build for.
                       # value = double or mixed (default) or single
 -D OCL_TUNE=value     # hardware choice for GPU_API=opencl
                       # generic (default) or intel (Intel CPU) or fermi, kepler, cypress (NVIDIA)
--D GPU_ARCH=value     # hardware choice for GPU_API=cuda
+-D GPU_ARCH=value     # primary GPU hardware choice for GPU_API=cuda
                       # value = sm_XX, see below
                       # default is Cuda-compiler dependent, but typically sm_20
--D CUDPP_OPT=value    # optimization setting for GPU_API=cudea
+-D CUDPP_OPT=value    # optimization setting for GPU_API=cuda
                       # enables CUDA Performance Primitives Optimizations
                       # yes (default) or no :pre
 
 GPU_ARCH settings for different GPU hardware is as follows:
 
-sm_20 for Fermi (C2050/C2070, deprecated as of CUDA 8.0) or GeForce GTX 580 or similar
-sm_30 for Kepler (K10)
-sm_35 for Kepler (K40) or GeForce GTX Titan or similar
-sm_37 for Kepler (dual K80)
-sm_50 for Maxwell
-sm_60 for Pascal (P100)
-sm_70 for Volta :ul
+sm_20 or sm_21 for Fermi (supported by CUDA 3.2 until CUDA 7.5)
+sm_30 or sm_35 or sm_37 for Kepler (supported since CUDA 5)
+sm_50 or sm_52 for Maxwell (supported since CUDA 6)
+sm_60 or sm_61 for Pascal (supported since CUDA 8)
+sm_70 for Volta (supported since CUDA 9)
+sm_75 for Turing (supported since CUDA 10) :ul
+
+A more detailed list can be found, for example,
+at "Wikipedia's CUDA article"_https://en.wikipedia.org/wiki/CUDA#GPUs_supported
+
+CMake can detect which version of the CUDA toolkit is used and thus can
+include support for [all] major GPU architectures supported by this toolkit.
+Thus the GPU_ARCH setting is merely an optimization, to have code for
+the preferred GPU architecture directly included rather than having to wait
+for the JIT compiler of the CUDA driver to translate it.
 
 [Traditional make]:
 
@@ -137,6 +145,11 @@ CUDA_ARCH = sm_XX, what GPU hardware you have, same as CMake GPU_ARCH above
 CUDA_PRECISION = precision (double, mixed, single)
 EXTRAMAKE = which Makefile.lammps.* file to copy to Makefile.lammps :ul
 
+The file Makefile.linux_multi is set up to include support for multiple
+GPU architectures as supported by the CUDA toolkit in use. This is done
+through using the "--gencode " flag, which can be used multiple times and
+thus support all GPU architectures supported by your CUDA compiler.
+
 If the library build is successful, 3 files should be created:
 lib/gpu/libgpu.a, lib/gpu/nvc_get_devices, and
 lib/gpu/Makefile.lammps.  The latter has settings that enable LAMMPS
@@ -150,6 +163,7 @@ re-build LAMMPS.  This is because the compilation of files in the GPU
 package uses the library settings from the lib/gpu/Makefile.machine
 used to build the GPU library.
 
+
 :line
 
 KIM package :h4,link(kim)

From 5df2f926510a31d17bd5153adc4714aa8a134584 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 18:22:33 -0500
Subject: [PATCH 182/273] minor cleanup in lib/gpu

---
 lib/gpu/Makefile.linux  | 30 +++++++++++++++++++++++++-----
 lib/gpu/Nvidia.makefile |  2 +-
 2 files changed, 26 insertions(+), 6 deletions(-)

diff --git a/lib/gpu/Makefile.linux b/lib/gpu/Makefile.linux
index 9580bfd4ae..6b63b26398 100644
--- a/lib/gpu/Makefile.linux
+++ b/lib/gpu/Makefile.linux
@@ -13,13 +13,33 @@ endif
 
 NVCC = nvcc
 
-# older CUDA
-#CUDA_ARCH = -arch=sm_21
-# newer CUDA
+# obsolete hardware. not supported by current drivers anymore.
 #CUDA_ARCH = -arch=sm_13
-# older CUDA
 #CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
-CUDA_ARCH = -arch=sm_35
+
+# Fermi hardware
+#CUDA_ARCH = -arch=sm_20
+#CUDA_ARCH = -arch=sm_21
+
+# Kepler hardware
+CUDA_ARCH = -arch=sm_30
+#CUDA_ARCH = -arch=sm_32
+#CUDA_ARCH = -arch=sm_35
+#CUDA_ARCH = -arch=sm_37
+
+# Maxwell hardware
+#CUDA_ARCH = -arch=sm_50
+#CUDA_ARCH = -arch=sm_52
+
+# Pascal hardware
+#CUDA_ARCH = -arch=sm_60
+#CUDA_ARCH = -arch=sm_61
+
+# Volta hardware
+#CUDA_ARCH = -arch=sm_70
+
+# Turing hardware
+#CUDA_ARCH = -arch=sm_75
 
 # this setting should match LAMMPS Makefile
 # one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
diff --git a/lib/gpu/Nvidia.makefile b/lib/gpu/Nvidia.makefile
index 0d7214260d..233f43380f 100644
--- a/lib/gpu/Nvidia.makefile
+++ b/lib/gpu/Nvidia.makefile
@@ -880,7 +880,7 @@ $(OBJ_DIR)/lal_born_coul_wolf_cs_ext.o: $(ALL_H) lal_born_coul_wolf_cs.h lal_bor
 	$(CUDR) -o $@ -c lal_born_coul_wolf_cs_ext.cpp -I$(OBJ_DIR)
 
 $(BIN_DIR)/nvc_get_devices: ./geryon/ucl_get_devices.cpp $(NVD_H)
-	$(CUDR) -o $@ ./geryon/ucl_get_devices.cpp -DUCL_CUDADR $(CUDA_LIB) -lcuda 
+	$(CUDR) -o $@ ./geryon/ucl_get_devices.cpp -DUCL_CUDADR $(CUDA_LIB) -lcuda
 
 $(GPU_LIB): $(OBJS) $(CUDPP)
 	$(AR) -crusv $(GPU_LIB) $(OBJS) $(CUDPP)

From 05fb2d758779f8e1ffb5face646b5d6f0a07b7f6 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 18:23:06 -0500
Subject: [PATCH 183/273] more generated files/symlinks to ignore

---
 doc/src/Developer/.gitignore | 3 +++
 lib/scafacos/.gitignore      | 3 +++
 2 files changed, 6 insertions(+)
 create mode 100644 doc/src/Developer/.gitignore
 create mode 100644 lib/scafacos/.gitignore

diff --git a/doc/src/Developer/.gitignore b/doc/src/Developer/.gitignore
new file mode 100644
index 0000000000..38f7323f7b
--- /dev/null
+++ b/doc/src/Developer/.gitignore
@@ -0,0 +1,3 @@
+/developer.aux
+/developer.log
+/developer.toc
diff --git a/lib/scafacos/.gitignore b/lib/scafacos/.gitignore
new file mode 100644
index 0000000000..66523c0cb3
--- /dev/null
+++ b/lib/scafacos/.gitignore
@@ -0,0 +1,3 @@
+/scafacos*
+/includelink
+/liblink

From aa0b9684dc9f3d03053b5ea10cd1b862db1d62a9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 20:19:28 -0500
Subject: [PATCH 184/273] remove inline expansion from two more cases (of
 external library builds)

---
 cmake/CMakeLists.txt | 15 +++++++--------
 1 file changed, 7 insertions(+), 8 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 311a57a27f..935a2c6246 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -486,15 +486,15 @@ if(PKG_USER-SCAFACOS)
     ExternalProject_Add(scafacos_build
       URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz
       URL_MD5 bd46d74e3296bd8a444d731bb10c1738
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> 
-                                               --disable-doc 
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
+                                               --disable-doc
                                                --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m
                                                --with-internal-fftw
                                                --with-internal-pfft
                                                --with-internal-pnfft
-                                               $<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic>                                               
-                                               FC=${CMAKE_MPI_Fortran_COMPILER} 
-                                               CXX=${CMAKE_MPI_CXX_COMPILER} 
+                                               --with-pic
+                                               FC=${CMAKE_MPI_Fortran_COMPILER}
+                                               CXX=${CMAKE_MPI_CXX_COMPILER}
                                                CC=${CMAKE_MPI_C_COMPILER}
                                                F77=
       )
@@ -541,11 +541,10 @@ if(PKG_USER-PLUMED)
   if(DOWNLOAD_PLUMED)
     include(ExternalProject)
     ExternalProject_Add(plumed_build
-      URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-src-2.4.3.tgz 
+      URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-src-2.4.3.tgz
       URL_MD5 b1be7c48971627febc11c61b70767fc5
       BUILD_IN_SOURCE 1
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> 
-                                               $<$<BOOL:${BUILD_SHARED_LIBS}>:--with-pic>                                                  )
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --with-pic)
     ExternalProject_get_property(plumed_build INSTALL_DIR)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)

From 3ad74985eb5ba62d1de87ab59dd1f8883ac542ff Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 20:53:23 -0500
Subject: [PATCH 185/273] replace more inline expansions with explicit code.
 some general overhaul and better propagation of consistent compiler settings
 and flags for library builds

---
 cmake/CMakeLists.txt | 78 +++++++++++++++++++++++++-------------------
 1 file changed, 45 insertions(+), 33 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 935a2c6246..c49b1c621b 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -422,15 +422,25 @@ if(WITH_FFMPEG)
   add_definitions(-DLAMMPS_FFMPEG)
 endif()
 
+if(BUILD_SHARED_LIBS)
+  set(CONFIGURE_REQUEST_PIC "--with-pic")
+  set(CMAKE_REQUEST_PIC "-DCMAKE_POSITION_INDEPENDENT_CODE=${CMAKE_POSITION_INDEPENDENT_CODE}")
+else()
+  set(CONFIGURE_REQUEST_PIC "")
+  set(CMAKE_REQUEST_PIC "")
+endif()
+
+
 if(PKG_VORONOI)
-  option(DOWNLOAD_VORO "Download voro++ (instead of using the system's one)" OFF)
+  option(DOWNLOAD_VORO "Download and compile the Voro++ library instead of using an already installed one" OFF)
   if(DOWNLOAD_VORO)
+    message(STATUS "Voro++ download requested - we will build our own")
     include(ExternalProject)
 
     if(BUILD_SHARED_LIBS)
-        set(VORO_BUILD_OPTIONS "CFLAGS=-fPIC")
+      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_POSITION_INDEPENDENT_CODE} ${CMAKE_C_FLAGS}")
     else()
-        set(VORO_BUILD_OPTIONS)
+      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_C_FLAGS}")
     endif()
 
     ExternalProject_Add(voro_build
@@ -445,7 +455,7 @@ if(PKG_VORONOI)
   else()
     find_package(VORO)
     if(NOT VORO_FOUND)
-      message(FATAL_ERROR "VORO not found, help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it")
+      message(FATAL_ERROR "Voro++ library not found. Help CMake to find it by setting VORO_LIBRARY and VORO_INCLUDE_DIR, or set DOWNLOAD_VORO=ON to download it")
     endif()
   endif()
   include_directories(${VORO_INCLUDE_DIRS})
@@ -453,26 +463,27 @@ if(PKG_VORONOI)
 endif()
 
 if(PKG_LATTE)
-  option(DOWNLOAD_LATTE "Download latte (instead of using the system's one)" OFF)
+  option(DOWNLOAD_LATTE "Download the LATTE library instead of using an already installed one" OFF)
   if(DOWNLOAD_LATTE)
-    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR 
+    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
       message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
     endif()
-    message(STATUS "LATTE not found - we will build our own")
+    message(STATUS "LATTE download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(latte_build
       URL https://github.com/lanl/LATTE/archive/v1.2.1.tar.gz
       URL_MD5 85ac414fdada2d04619c8f936344df14
       SOURCE_SUBDIR cmake
-      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> -DCMAKE_POSITION_INDEPENDENT_CODE=${CMAKE_POSITION_INDEPENDENT_CODE}
-      )
+      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
+    )
+    endif()
     ExternalProject_get_property(latte_build INSTALL_DIR)
     set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)
     list(APPEND LAMMPS_DEPS latte_build)
   else()
     find_package(LATTE)
     if(NOT LATTE_FOUND)
-      message(FATAL_ERROR "LATTE not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")
+      message(FATAL_ERROR "LATTE library not found, help CMake to find it by setting LATTE_LIBRARY, or set DOWNLOAD_LATTE=ON to download it")
     endif()
   endif()
   list(APPEND LAMMPS_LINK_LIBS ${LATTE_LIBRARIES} ${LAPACK_LIBRARIES})
@@ -480,24 +491,22 @@ endif()
 
 if(PKG_USER-SCAFACOS)
   find_package(GSL REQUIRED)
-  option(DOWNLOAD_SCAFACOS "Download ScaFaCoS (instead of using the system's one)" OFF)
+  option(DOWNLOAD_SCAFACOS "Download ScaFaCoS library instead of using an already installed one" OFF)
   if(DOWNLOAD_SCAFACOS)
+    message(STATUS "ScaFaCoS download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(scafacos_build
       URL https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz
       URL_MD5 bd46d74e3296bd8a444d731bb10c1738
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
-                                               --disable-doc
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --disable-doc
                                                --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m
-                                               --with-internal-fftw
-                                               --with-internal-pfft
-                                               --with-internal-pnfft
-                                               --with-pic
+                                               --with-internal-fftw --with-internal-pfft
+                                               --with-internal-pnfft ${CONFIGURE_REQUEST_PIC}
                                                FC=${CMAKE_MPI_Fortran_COMPILER}
                                                CXX=${CMAKE_MPI_CXX_COMPILER}
                                                CC=${CMAKE_MPI_C_COMPILER}
                                                F77=
-      )
+    )
     ExternalProject_get_property(scafacos_build INSTALL_DIR)
     set(SCAFACOS_BUILD_DIR ${INSTALL_DIR})
     set(SCAFACOS_INCLUDE_DIRS ${SCAFACOS_BUILD_DIR}/include)
@@ -537,14 +546,15 @@ if(PKG_USER-PLUMED)
   validate_option(PLUMED_MODE PLUMED_MODE_VALUES)
   string(TOUPPER ${PLUMED_MODE} PLUMED_MODE)
 
-  option(DOWNLOAD_PLUMED "Download Plumed (instead of using the system's one)" OFF)
+  option(DOWNLOAD_PLUMED "Download Plumed package instead of using an already installed one" OFF)
   if(DOWNLOAD_PLUMED)
+    message(STATUS "PLUMED download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(plumed_build
       URL https://github.com/plumed/plumed2/releases/download/v2.4.3/plumed-src-2.4.3.tgz
       URL_MD5 b1be7c48971627febc11c61b70767fc5
       BUILD_IN_SOURCE 1
-      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> --with-pic)
+      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR> ${CONFIGURE_REQUEST_PIC})
     ExternalProject_get_property(plumed_build INSTALL_DIR)
     set(PLUMED_INSTALL_DIR ${INSTALL_DIR})
     list(APPEND LAMMPS_DEPS plumed_build)
@@ -591,11 +601,12 @@ if(PKG_USER-NETCDF)
 endif()
 
 if(PKG_USER-SMD)
-  option(DOWNLOAD_EIGEN3 "Download Eigen3 (instead of using the system's one)" OFF)
+  option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" OFF)
   if(DOWNLOAD_EIGEN3)
+    message(STATUS "Eigen3 download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(Eigen3_build
-      URL http://bitbucket.org/eigen/eigen/get/3.3.4.tar.gz 
+      URL http://bitbucket.org/eigen/eigen/get/3.3.4.tar.gz
       URL_MD5 1a47e78efe365a97de0c022d127607c3
       CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND ""
     )
@@ -632,8 +643,9 @@ if(PKG_USER-VTK)
 endif()
 
 if(PKG_KIM)
-  option(DOWNLOAD_KIM "Download kim-api (instead of using the system's one)" OFF)
+  option(DOWNLOAD_KIM "Download KIM-API v1 from OpenKIM instead of using an already installed one)" OFF)
   if(DOWNLOAD_KIM)
+    message(STATUS "KIM-API v1 download requested - we will build our own")
     include(ExternalProject)
     ExternalProject_Add(kim_build
       URL https://github.com/openkim/kim-api/archive/v1.9.5.tar.gz
@@ -648,7 +660,7 @@ if(PKG_KIM)
   else()
     find_package(KIM)
     if(NOT KIM_FOUND)
-      message(FATAL_ERROR "KIM not found, help CMake to find it by setting KIM_LIBRARY and KIM_INCLUDE_DIR, or set DOWNLOAD_KIM=ON to download it")
+      message(FATAL_ERROR "KIM-API v1 not found, help CMake to find it by setting KIM_LIBRARY and KIM_INCLUDE_DIR, or set DOWNLOAD_KIM=ON to download it")
     endif()
   endif()
   list(APPEND LAMMPS_LINK_LIBS ${KIM_LIBRARIES})
@@ -691,10 +703,10 @@ endif()
 
 if(PKG_MSCG)
   find_package(GSL REQUIRED)
-  option(DOWNLOAD_MSCG "Download latte (instead of using the system's one)" OFF)
+  option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" OFF)
   if(DOWNLOAD_MSCG)
-    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR 
-      message(FATAL_ERROR "For downlading LATTE you need at least cmake-3.7")
+    if (CMAKE_VERSION VERSION_LESS "3.7") # due to SOURCE_SUBDIR
+      message(FATAL_ERROR "For downlading MSCG you need at least cmake-3.7")
     endif()
     include(ExternalProject)
     if(NOT LAPACK_FOUND)
@@ -704,7 +716,7 @@ if(PKG_MSCG)
       URL https://github.com/uchicago-voth/MSCG-release/archive/1.7.3.1.tar.gz
       URL_MD5 8c45e269ee13f60b303edd7823866a91
       SOURCE_SUBDIR src/CMake
-      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> -DCMAKE_POSITION_INDEPENDENT_CODE=${CMAKE_POSITION_INDEPENDENT_CODE} ${EXTRA_MSCG_OPTS}
+      CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC} ${EXTRA_MSCG_OPTS}
       BUILD_COMMAND make mscg INSTALL_COMMAND ""
       )
     ExternalProject_get_property(mscg_build BINARY_DIR)
@@ -752,7 +764,7 @@ set(MATH_LIBRARIES "m" CACHE STRING "math library")
 mark_as_advanced( MATH_LIBRARIES )
 include(CheckLibraryExists)
 if (CMAKE_VERSION VERSION_LESS "3.4")
-  enable_language(C) # check_library_exists isn't supported without a c compiler before v3.4
+  enable_language(C) # check_library_exists isn't supported without a C compiler before v3.4
 endif()
 # RB: disabled this check because it breaks with KOKKOS CUDA enabled
 #foreach(FUNC sin cos)
@@ -1174,7 +1186,7 @@ if(PKG_GPU)
               -DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
       if(${BUILD_SHARED_LIBS})
-        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS -Xcompiler=-fPIC
+        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS -Xcompiler ${CMAKE_POSITION_INDEPENDENT_CODE}
                 -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
       else()
         cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS
@@ -1327,7 +1339,7 @@ if(BUILD_EXE)
       add_dependencies(lmp ${LAMMPS_DEPS})
     endif()
   endif()
-  
+
   set_target_properties(lmp PROPERTIES OUTPUT_NAME ${LAMMPS_BINARY})
   install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
   install(FILES ${LAMMPS_DOC_DIR}/lammps.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1 RENAME ${LAMMPS_BINARY}.1)
@@ -1464,14 +1476,14 @@ message(STATUS "<<< Build configuration >>>
 get_property(LANGUAGES GLOBAL PROPERTY ENABLED_LANGUAGES)
 list (FIND LANGUAGES "Fortran" _index)
 if (${_index} GREATER -1)
-  message(STATUS "Fortran Compiler ${CMAKE_Fortran_COMPILER} 
+  message(STATUS "Fortran Compiler ${CMAKE_Fortran_COMPILER}
            Type     ${CMAKE_Fortran_COMPILER_ID}
            Version  ${CMAKE_Fortran_COMPILER_VERSION}
    Fortran Flags    ${CMAKE_Fortran_FLAGS} ${CMAKE_Fortran_FLAGS_${BTYPE}}")
 endif()
 list (FIND LANGUAGES "C" _index)
 if (${_index} GREATER -1)
-  message(STATUS "C Compiler ${CMAKE_C_COMPILER} 
+  message(STATUS "C Compiler ${CMAKE_C_COMPILER}
      Type     ${CMAKE_C_COMPILER_ID}
      Version  ${CMAKE_C_COMPILER_VERSION}
      C Flags  ${CMAKE_C_FLAGS} ${CMAKE_C_FLAGS_${BTYPE}}")

From c980dd0a56bd73326f568e17a51fcc4dae660a2e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 20:56:13 -0500
Subject: [PATCH 186/273] remove stray endif()

---
 cmake/CMakeLists.txt | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index c49b1c621b..78653a6c39 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -476,7 +476,6 @@ if(PKG_LATTE)
       SOURCE_SUBDIR cmake
       CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=<INSTALL_DIR> ${CMAKE_REQUEST_PIC}
     )
-    endif()
     ExternalProject_get_property(latte_build INSTALL_DIR)
     set(LATTE_LIBRARIES ${INSTALL_DIR}/${CMAKE_INSTALL_LIBDIR}/liblatte.a)
     list(APPEND LAMMPS_DEPS latte_build)
@@ -1491,7 +1490,7 @@ endif()
 if(CMAKE_EXE_LINKER_FLAGS)
   message(STATUS "Linker flags:
    Executable      ${CMAKE_EXE_LINKER_FLAGS}")
-  endif()
+endif()
 if(BUILD_SHARED_LIBS)
   message(STATUS "Shared libraries  ${CMAKE_SHARED_LINKER_FLAGS}")
 else()

From 91b96fa0c91e920d34a255b68f3b20115d05aa88 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 21:37:23 -0500
Subject: [PATCH 187/273] build MESSAGE package client/server library always as
 static library

---
 cmake/CMakeLists.txt | 7 +------
 1 file changed, 1 insertion(+), 6 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 78653a6c39..28698c9a03 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -672,12 +672,7 @@ if(PKG_MESSAGE)
       ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.c
       ${LAMMPS_LIB_SOURCE_DIR}/message/cslib/[^.]*.cpp)
 
-  if(BUILD_SHARED_LIBS)
-      add_library(cslib SHARED ${cslib_SOURCES})
-  else()
-      add_library(cslib STATIC ${cslib_SOURCES})
-  endif()
-
+  add_library(cslib STATIC ${cslib_SOURCES})
   if(BUILD_MPI)
     target_compile_definitions(cslib PRIVATE -DMPI_YES)
     set_target_properties(cslib PROPERTIES OUTPUT_NAME "csmpi")

From d6ea31e14319d0e3ee4842bee8406b06f281ed2f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 22:06:10 -0500
Subject: [PATCH 188/273] implement changes suggested by @junghans for GPU/CUDA
 compilation

---
 cmake/CMakeLists.txt | 9 +++------
 1 file changed, 3 insertions(+), 6 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 28698c9a03..fe158f512f 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -425,9 +425,11 @@ endif()
 if(BUILD_SHARED_LIBS)
   set(CONFIGURE_REQUEST_PIC "--with-pic")
   set(CMAKE_REQUEST_PIC "-DCMAKE_POSITION_INDEPENDENT_CODE=${CMAKE_POSITION_INDEPENDENT_CODE}")
+  set(CUDA_REQUEST_PIC "-Xcompiler ${CMAKE_SHARED_LIBRARY_CXX_FLAGS}")
 else()
   set(CONFIGURE_REQUEST_PIC "")
   set(CMAKE_REQUEST_PIC "")
+  set(CUDA_REQUEST_PIC "")
 endif()
 
 
@@ -1179,13 +1181,8 @@ if(PKG_GPU)
       cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
               -DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
-      if(${BUILD_SHARED_LIBS})
-        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS -Xcompiler ${CMAKE_POSITION_INDEPENDENT_CODE}
+      cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC}
                 -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
-      else()
-        cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS
-                -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
-      endif()
 
       foreach(CU_OBJ ${GPU_GEN_OBJS})
         get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)

From 1fdfc89d251ca5d151634abaf4e8ea25d55306e7 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 22:27:21 -0500
Subject: [PATCH 189/273] make $HOME/.local the default LAMMPS installation
 destination

---
 cmake/CMakeLists.txt    | 4 ++++
 cmake/README.md         | 1 +
 doc/src/Build_cmake.txt | 2 +-
 3 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index fe158f512f..690ac40957 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -11,6 +11,10 @@ get_filename_component(LAMMPS_LIB_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../lib
 get_filename_component(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib ABSOLUTE)
 get_filename_component(LAMMPS_DOC_DIR ${CMAKE_CURRENT_SOURCE_DIR}/../doc ABSOLUTE)
 
+# by default, install into $HOME/.local (not /usr/local), so that no root access (and sudo!!) is needed
+if (CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
+  set(CMAKE_INSTALL_PREFIX "$ENV{HOME}/.local" CACHE PATH "default install path" FORCE )
+endif()
 
 # To avoid conflicts with the conventional Makefile build system, we build everything here
 file(GLOB LIB_SOURCES ${LAMMPS_SOURCE_DIR}/[^.]*.cpp)
diff --git a/cmake/README.md b/cmake/README.md
index 90aba19a41..ae9ea8d1f7 100644
--- a/cmake/README.md
+++ b/cmake/README.md
@@ -195,6 +195,7 @@ cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake
   <td><code>CMAKE_INSTALL_PREFIX</code></td>
   <td>Install location where LAMMPS files will be copied to. In the Unix/Linux case with Makefiles this controls what `make install` will do.</td>
   <td>
+   Default setting is <code>$HOME/.local</code>.
   </td>
 </tr>
 <tr>
diff --git a/doc/src/Build_cmake.txt b/doc/src/Build_cmake.txt
index 1406d290f5..5c29e11280 100644
--- a/doc/src/Build_cmake.txt
+++ b/doc/src/Build_cmake.txt
@@ -44,7 +44,7 @@ LAMMPS or need to re-compile LAMMPS repeatedly, installation of the
 ccache (= Compiler Cache) software may speed up compilation even more.
 
 After compilation, you can optionally copy the LAMMPS executable and
-library into your system folders (by default under /usr/local) with:
+library into your system folders (by default under $HOME/.local) with:
 
 make install    # optional, copy LAMMPS executable & library elsewhere :pre
 

From 00b138f5421c3af7f88dfd678702c5a1fe50c278 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 22:43:08 -0500
Subject: [PATCH 190/273] verbose CUDA assembly processing is more distracting
 than helping

---
 cmake/CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 690ac40957..99d7f2d0d3 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -1183,10 +1183,10 @@ if(PKG_GPU)
       endif()
 
       cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
-              -DUNIX -O3 -Xptxas -v --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+              -DUNIX -O3 --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
       cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC}
-                -DUNIX -O3 -Xptxas -v --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+              -DUNIX -O3 --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
       foreach(CU_OBJ ${GPU_GEN_OBJS})
         get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)

From d43f2291620ad311ab22df3099adca3d3159de4d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Nov 2018 22:48:23 -0500
Subject: [PATCH 191/273] do not warn about deprecated GPU target archs

---
 cmake/CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 99d7f2d0d3..c873429d00 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -1183,10 +1183,10 @@ if(PKG_GPU)
       endif()
 
       cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS
-              -DUNIX -O3 --use_fast_math -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
       cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC}
-              -DUNIX -O3 --use_fast_math -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
+              -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
 
       foreach(CU_OBJ ${GPU_GEN_OBJS})
         get_filename_component(CU_NAME ${CU_OBJ} NAME_WE)

From dbc798e28672d7a656d0efa7d4aa6fbe0ea7f7ca Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 27 Nov 2018 05:29:42 -0500
Subject: [PATCH 192/273] correct passing flags to local voro++ build

---
 cmake/CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index c873429d00..e6ed5be376 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -444,9 +444,9 @@ if(PKG_VORONOI)
     include(ExternalProject)
 
     if(BUILD_SHARED_LIBS)
-      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_POSITION_INDEPENDENT_CODE} ${CMAKE_C_FLAGS}")
+      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS}")
     else()
-      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_C_FLAGS}")
+      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_CXX_FLAGS}")
     endif()
 
     ExternalProject_Add(voro_build

From 79fafcb12cb3bead034febc1972cc045a29b456c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 27 Nov 2018 09:57:21 -0500
Subject: [PATCH 193/273] passing build type specific compiler flags to
 building the voro++ library

---
 cmake/CMakeLists.txt | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index e6ed5be376..3702647f9d 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -79,6 +79,7 @@ if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
   #release comes with -O3 by default
   set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE)
 endif(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
+string(TOUPPER "${CMAKE_BUILD_TYPE}" BTYPE)
 
 # check for files auto-generated by make-based buildsystem
 # this is fast, so check for it all the time
@@ -444,10 +445,12 @@ if(PKG_VORONOI)
     include(ExternalProject)
 
     if(BUILD_SHARED_LIBS)
-      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS}")
+      set(VORO_BUILD_CFLAGS "${CMAKE_SHARED_LIBRARY_CXX_FLAGS} ${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
     else()
-      set(VORO_BUILD_OPTIONS CXX="${CMAKE_CXX_COMPILER}" CFLAGS="${CMAKE_CXX_FLAGS}")
+      set(VORO_BUILD_CFLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_CXX_FLAGS_${BTYPE}}")
     endif()
+    string(APPEND VORO_BUILD_CFLAGS ${CMAKE_CXX_FLAGS})
+    set(VORO_BUILD_OPTIONS CXX=${CMAKE_CXX_COMPILER} CFLAGS=${VORO_BUILD_CFLAGS})
 
     ExternalProject_Add(voro_build
       URL http://math.lbl.gov/voro++/download/dir/voro++-0.4.6.tar.gz
@@ -1455,7 +1458,6 @@ foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
   endif()
 endforeach()
 
-string(TOUPPER "${CMAKE_BUILD_TYPE}" BTYPE)
 get_directory_property(CPPFLAGS DIRECTORY ${CMAKE_SOURCE_DIR} COMPILE_DEFINITIONS)
 include(FeatureSummary)
 feature_summary(DESCRIPTION "The following packages have been found:" WHAT PACKAGES_FOUND)

From ebacd5ca6b9e00e5cf72629deae4404049ff8a87 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 27 Nov 2018 14:36:59 -0500
Subject: [PATCH 194/273] anti-nitpick hack

---
 cmake/CMakeLists.txt | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 3702647f9d..aa42ed9a87 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -432,9 +432,9 @@ if(BUILD_SHARED_LIBS)
   set(CMAKE_REQUEST_PIC "-DCMAKE_POSITION_INDEPENDENT_CODE=${CMAKE_POSITION_INDEPENDENT_CODE}")
   set(CUDA_REQUEST_PIC "-Xcompiler ${CMAKE_SHARED_LIBRARY_CXX_FLAGS}")
 else()
-  set(CONFIGURE_REQUEST_PIC "")
-  set(CMAKE_REQUEST_PIC "")
-  set(CUDA_REQUEST_PIC "")
+  set(CONFIGURE_REQUEST_PIC)
+  set(CMAKE_REQUEST_PIC)
+  set(CUDA_REQUEST_PIC)
 endif()
 
 

From 1b50ad02fb645f80a403198eb9442aeaf22bfb13 Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 00:06:50 +0100
Subject: [PATCH 195/273] fixed uninitialized var homedir

---
 lib/plumed/Install.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 61c1c35ee2..83268b11ec 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -139,6 +139,7 @@ while iarg < nargs:
   else: error()
 
 homepath = fullpath(homepath)
+homedir = "%s/plumed2" % (homepath)
 
 if (pathflag):
     if not os.path.isdir(plumedpath): error("Plumed2 path does not exist")
@@ -170,8 +171,8 @@ if buildflag:
   if os.path.exists("%s/plumed-%s" % (homepath,version)):
     cmd = 'rm -rf "%s/plumed-%s"' % (homepath,version)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  if os.path.exists("%s/plumed2" % (homepath)):
-    cmd = 'rm -rf "%s/plumed2"' % (homepath)
+  if os.path.exists(homedir):
+    cmd = 'rm -rf "%s"' % (homedir)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   cmd = 'cd "%s"; tar -xzvf %s' % (homepath,filename)
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
@@ -181,7 +182,7 @@ if buildflag:
  
 if buildflag:
    print("Building plumed ...")
-   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
+   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make ; make install' % (homepath,version,homedir)
    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
    print(txt.decode('UTF-8'))
 # 

From c87bdda9a8a9862811cee4b05e5161aebd0a44f7 Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 00:08:01 +0100
Subject: [PATCH 196/273] fixed wrong path to Plumed.inc.*

---
 lib/plumed/Install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 83268b11ec..0a2c2be135 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -200,6 +200,6 @@ if linkflag:
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.isfile("Makefile.lammps.%s" % mode):
     print("Creating Makefile.lammps")
-    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
+    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 

From 32abe3520101384214729be9859e541148a10152 Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 00:08:55 +0100
Subject: [PATCH 197/273] added -j8 option for faster plumed make

---
 lib/plumed/Install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 0a2c2be135..ff866ea223 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -182,7 +182,7 @@ if buildflag:
  
 if buildflag:
    print("Building plumed ...")
-   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make ; make install' % (homepath,version,homedir)
+   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make -j8 ; make install' % (homepath,version,homedir)
    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
    print(txt.decode('UTF-8'))
 # 

From 55654ca68eeda8af3d6a203793fc80a93f28e54c Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 00:35:47 +0100
Subject: [PATCH 198/273] fix memory leak due to virial_lmp

---
 src/USER-PLUMED/fix_plumed.cpp | 32 +++++++++++++++++++-------------
 1 file changed, 19 insertions(+), 13 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index d73cfdb7a7..c0f67ea60a 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -410,8 +410,8 @@ void FixPlumed::post_force(int /* vflag */)
   p->cmd("getBias",&bias);
 
   // Pass virial to plumed
-  // If energy is needed virial_plmd is equal to Lammps' virial
-  // If energy is not needed virial_plmd is initialized to zero
+  // If energy is needed plmd_virial is equal to Lammps' virial
+  // If energy is not needed plmd_virial is initialized to zero
   // In the first case the virial will be rescaled and an extra term will be added
   // In the latter case only an extra term will be added
   p->cmd("setVirial",&plmd_virial[0][0]);
@@ -470,25 +470,31 @@ void FixPlumed::post_force(int /* vflag */)
     plmd_virial[0][1]=-virial_lmp[3];
     plmd_virial[0][2]=-virial_lmp[4];
     plmd_virial[1][2]=-virial_lmp[5];
-  } else {
-    virial_lmp = new double[6];
-    for (int i=0;i<6;i++) virial_lmp[i] = 0.;
   }
   // do the real calculation:
   p->cmd("performCalc");
 
   // retransform virial to lammps representation and assign it to this
-  // fix's virial.  Plumed is giving back the full virial and therefore
-  // we have to subtract the initial virial i.e. virial_lmp.
+  // fix's virial. If the energy is biased, Plumed is giving back the full
+  // virial and therefore we have to subtract the initial virial i.e. virial_lmp.
   // The vector virial contains only the contribution added by plumed.
   // The calculation of the pressure will be done by a compute pressure
   // and will include this contribution.
-  virial[0] = -plmd_virial[0][0]-virial_lmp[0];
-  virial[1] = -plmd_virial[1][1]-virial_lmp[1];
-  virial[2] = -plmd_virial[2][2]-virial_lmp[2];
-  virial[3] = -plmd_virial[0][1]-virial_lmp[3];
-  virial[4] = -plmd_virial[0][2]-virial_lmp[4];
-  virial[5] = -plmd_virial[1][2]-virial_lmp[5];
+  if (plumedNeedsEnergy) {
+    virial[0] = -plmd_virial[0][0]-virial_lmp[0];
+    virial[1] = -plmd_virial[1][1]-virial_lmp[1];
+    virial[2] = -plmd_virial[2][2]-virial_lmp[2];
+    virial[3] = -plmd_virial[0][1]-virial_lmp[3];
+    virial[4] = -plmd_virial[0][2]-virial_lmp[4];
+    virial[5] = -plmd_virial[1][2]-virial_lmp[5];
+  } else {
+    virial[0] = -plmd_virial[0][0];
+    virial[1] = -plmd_virial[1][1];
+    virial[2] = -plmd_virial[2][2];
+    virial[3] = -plmd_virial[0][1];
+    virial[4] = -plmd_virial[0][2];
+    virial[5] = -plmd_virial[1][2];
+  }
 
   // Ask for the computes in the next time step
   // such that the virial and energy are tallied.

From 3d5423f5da45f7985c5a8be011ce7a34b684644b Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 09:18:38 +0100
Subject: [PATCH 199/273] revert back to correct path to Plumed.inc.*. (my
 fault, I was not doing the 'make install')

---
 lib/plumed/Install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index ff866ea223..849640a4f9 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -200,6 +200,6 @@ if linkflag:
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.isfile("Makefile.lammps.%s" % mode):
     print("Creating Makefile.lammps")
-    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
+    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 

From a4684e2629043f27eeee78c70682f658020ef485 Mon Sep 17 00:00:00 2001
From: PabloPiaggi <ppiaggi@gmail.com>
Date: Wed, 28 Nov 2018 15:43:35 +0100
Subject: [PATCH 200/273] Add --noinstall flag to use the plumed source code
 directly without issuing make install

---
 doc/src/Build_extras.txt |  4 ++++
 lib/plumed/Install.py    | 29 +++++++++++++++++++++++------
 2 files changed, 27 insertions(+), 6 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index fb2fe95341..b98caee076 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -796,6 +796,10 @@ make lib-plumed args="-b"               # download and build PLUMED in lib/plume
 make lib-plumed args="-p $HOME/.local"  # use existing PLUMED installation in $HOME/.local
 make lib-plumed args="-p /usr/local -m shared"  # use existing PLUMED installation in
                                                 # /usr/local and use shared linkage mode
+make lib-plumed args="-p $HOME/plumed2 --noinstall -m shared"  # use existing PLUMED
+                                                               # compiled source code in
+                                                               # $HOME/plumed2 and use
+                                                               # shared linkage mode
 :pre
 
 Note that 2 symbolic (soft) links, "includelink" and "liblink" are
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index 849640a4f9..abead8deb8 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -12,10 +12,12 @@ help = """
 Syntax from src dir: make lib-plumed args="-b"
                  or: make lib-plumed args="-b -v 2.4.3"
                  or: make lib-plumed args="-p /usr/local/plumed2 -m shared"
+                 or: make lib-plumed args="-p /home/myname/myplumed2sourcecode --noinstall"
 
 Syntax from lib dir: python Install.py -b -v 2.4.3
                  or: python Install.py -b
                  or: python Install.py -p /usr/local/plumed2 -m shared
+                 or: python Install.py -p /home/myname/myplumed2sourcecode --noinstall
 
 specify one or more options, order does not matter
 
@@ -23,11 +25,13 @@ specify one or more options, order does not matter
   -v = set version of plumed2 to download and build (default: 2.4.3)
   -p = specify folder of existing plumed2 installation
   -m = set plumed linkage mode: static (default), shared, or runtime
+  --noinstall = use existing plumed2 source code folder where make was issued but make install was not
 
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
-make lib-plumed args="-p $HOME/plumed2 -m shared" # use existing Plumed2 installation in $HOME/plumed2
+make lib-plumed args="-p /usr/local/plumed2 -m shared" # use existing Plumed2 installation in /usr/local/plumed2
+make lib-plumed args="-p $HOME/plumed2 -m shared --noinstall" # use existing Plumed2 source code folder in $HOME/plumed2
 """
 
 # settings
@@ -117,6 +121,7 @@ buildflag = False
 pathflag = False
 suffixflag = False
 linkflag = True
+noinstallflag = False
 
 iarg = 0
 while iarg < nargs:
@@ -136,6 +141,9 @@ while iarg < nargs:
   elif args[iarg] == "-b":
     buildflag = True
     iarg += 1
+  elif args[iarg] == "--noinstall":
+    noinstallflag = True
+    iarg += 1
   else: error()
 
 homepath = fullpath(homepath)
@@ -194,12 +202,21 @@ if linkflag:
     os.remove("includelink")
   if os.path.isfile("liblink") or os.path.islink("liblink"):
     os.remove("liblink")
-  cmd = 'ln -s "%s/include" includelink' % homedir
-  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  cmd = 'ln -s "%s/lib" liblink' % homedir
-  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  if noinstallflag:
+    cmd = 'ln -s "%s/src/include" includelink' % homedir
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+    cmd = 'ln -s "%s/src/lib" liblink' % homedir
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  else:
+    cmd = 'ln -s "%s/include" includelink' % homedir
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+    cmd = 'ln -s "%s/lib" liblink' % homedir
+    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.isfile("Makefile.lammps.%s" % mode):
     print("Creating Makefile.lammps")
-    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
+    if noinstallflag:
+      cmd = 'echo PLUMED_LIBDIR="%s/src/lib" > Makefile.lammps; cat liblink/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
+    else:
+      cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 

From 82132879666069387e9b64de5944fd642e998098 Mon Sep 17 00:00:00 2001
From: Michele Invernizzi <michele.invernizzi@phys.chem.ethz.ch>
Date: Wed, 28 Nov 2018 16:09:05 +0100
Subject: [PATCH 201/273] detect the number of available CPU for plumed make,
 as suggested by @akohlmey

---
 lib/plumed/Install.py | 17 ++++++++++-------
 1 file changed, 10 insertions(+), 7 deletions(-)

diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index abead8deb8..b79108d2b4 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -186,14 +186,17 @@ if buildflag:
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   os.remove("%s/%s" % (homepath,filename))
 
-# build plumed
+  # build plumed
+  print("Building plumed ...")
+  try:
+    import multiprocessing
+    n_cpus = multiprocessing.cpu_count()
+  except:
+    n_cpus = 1
+  cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make -j%d ; make install' % (homepath,version,homedir,n_cpus)
+  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  print(txt.decode('UTF-8'))
  
-if buildflag:
-   print("Building plumed ...")
-   cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make -j8 ; make install' % (homepath,version,homedir)
-   txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-   print(txt.decode('UTF-8'))
-# 
 # create 2 links in lib/plumed to plumed2 installation dir
 
 if linkflag:

From 22e774adef5787e577b490b42a0b588dfdfab9f6 Mon Sep 17 00:00:00 2001
From: PabloPiaggi <ppiaggi@gmail.com>
Date: Wed, 28 Nov 2018 17:37:24 +0100
Subject: [PATCH 202/273] Revert "Add --noinstall flag to use the plumed source
 code directly without issuing make install"

This reverts commit a4684e2629043f27eeee78c70682f658020ef485.

Revert --noinstall flag commit
---
 doc/src/Build_extras.txt |  4 ----
 lib/plumed/Install.py    | 29 ++++++-----------------------
 2 files changed, 6 insertions(+), 27 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index b98caee076..fb2fe95341 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -796,10 +796,6 @@ make lib-plumed args="-b"               # download and build PLUMED in lib/plume
 make lib-plumed args="-p $HOME/.local"  # use existing PLUMED installation in $HOME/.local
 make lib-plumed args="-p /usr/local -m shared"  # use existing PLUMED installation in
                                                 # /usr/local and use shared linkage mode
-make lib-plumed args="-p $HOME/plumed2 --noinstall -m shared"  # use existing PLUMED
-                                                               # compiled source code in
-                                                               # $HOME/plumed2 and use
-                                                               # shared linkage mode
 :pre
 
 Note that 2 symbolic (soft) links, "includelink" and "liblink" are
diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py
index b79108d2b4..cbe3a55937 100644
--- a/lib/plumed/Install.py
+++ b/lib/plumed/Install.py
@@ -12,12 +12,10 @@ help = """
 Syntax from src dir: make lib-plumed args="-b"
                  or: make lib-plumed args="-b -v 2.4.3"
                  or: make lib-plumed args="-p /usr/local/plumed2 -m shared"
-                 or: make lib-plumed args="-p /home/myname/myplumed2sourcecode --noinstall"
 
 Syntax from lib dir: python Install.py -b -v 2.4.3
                  or: python Install.py -b
                  or: python Install.py -p /usr/local/plumed2 -m shared
-                 or: python Install.py -p /home/myname/myplumed2sourcecode --noinstall
 
 specify one or more options, order does not matter
 
@@ -25,13 +23,11 @@ specify one or more options, order does not matter
   -v = set version of plumed2 to download and build (default: 2.4.3)
   -p = specify folder of existing plumed2 installation
   -m = set plumed linkage mode: static (default), shared, or runtime
-  --noinstall = use existing plumed2 source code folder where make was issued but make install was not
 
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
-make lib-plumed args="-p /usr/local/plumed2 -m shared" # use existing Plumed2 installation in /usr/local/plumed2
-make lib-plumed args="-p $HOME/plumed2 -m shared --noinstall" # use existing Plumed2 source code folder in $HOME/plumed2
+make lib-plumed args="-p $HOME/plumed2 -m shared" # use existing Plumed2 installation in $HOME/plumed2
 """
 
 # settings
@@ -121,7 +117,6 @@ buildflag = False
 pathflag = False
 suffixflag = False
 linkflag = True
-noinstallflag = False
 
 iarg = 0
 while iarg < nargs:
@@ -141,9 +136,6 @@ while iarg < nargs:
   elif args[iarg] == "-b":
     buildflag = True
     iarg += 1
-  elif args[iarg] == "--noinstall":
-    noinstallflag = True
-    iarg += 1
   else: error()
 
 homepath = fullpath(homepath)
@@ -205,21 +197,12 @@ if linkflag:
     os.remove("includelink")
   if os.path.isfile("liblink") or os.path.islink("liblink"):
     os.remove("liblink")
-  if noinstallflag:
-    cmd = 'ln -s "%s/src/include" includelink' % homedir
-    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-    cmd = 'ln -s "%s/src/lib" liblink' % homedir
-    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  else:
-    cmd = 'ln -s "%s/include" includelink' % homedir
-    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-    cmd = 'ln -s "%s/lib" liblink' % homedir
-    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  cmd = 'ln -s "%s/include" includelink' % homedir
+  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+  cmd = 'ln -s "%s/lib" liblink' % homedir
+  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
   if os.path.isfile("Makefile.lammps.%s" % mode):
     print("Creating Makefile.lammps")
-    if noinstallflag:
-      cmd = 'echo PLUMED_LIBDIR="%s/src/lib" > Makefile.lammps; cat liblink/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
-    else:
-      cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
+    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
     subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 

From 77e73621683f6474c00991a11112ba1f93562bea Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 14:28:20 -0500
Subject: [PATCH 203/273] update log files for airebo and atm examples

---
 examples/airebo/CH.airebo                     |  1 +
 examples/airebo/CH.airebo-m                   |  1 +
 examples/airebo/in.airebo                     | 26 ++++++------
 examples/airebo/in.airebo-m                   | 26 ++++++------
 ...ebo-m.g++.1 => log.27Nov18.airebo-m.g++.1} | 23 ++++++-----
 ...ebo-m.g++.4 => log.27Nov18.airebo-m.g++.4} | 23 ++++++-----
 ....airebo.g++.1 => log.27Nov18.airebo.g++.1} | 23 ++++++-----
 ....airebo.g++.4 => log.27Nov18.airebo.g++.4} | 23 ++++++-----
 examples/atm/in.atm                           | 40 +++++++++----------
 ...og.27Aug18.g++.1 => log.27Nov18.atm.g++.1} | 23 ++++++-----
 ...og.27Aug18.g++.4 => log.27Nov18.atm.g++.4} | 23 ++++++-----
 11 files changed, 120 insertions(+), 112 deletions(-)
 create mode 120000 examples/airebo/CH.airebo
 create mode 120000 examples/airebo/CH.airebo-m
 rename examples/airebo/{log.23Jun17.airebo-m.g++.1 => log.27Nov18.airebo-m.g++.1} (80%)
 rename examples/airebo/{log.23Jun17.airebo-m.g++.4 => log.27Nov18.airebo-m.g++.4} (80%)
 rename examples/airebo/{log.23Jun17.airebo.g++.1 => log.27Nov18.airebo.g++.1} (80%)
 rename examples/airebo/{log.23Jun17.airebo.g++.4 => log.27Nov18.airebo.g++.4} (80%)
 rename examples/atm/{log.27Aug18.g++.1 => log.27Nov18.atm.g++.1} (82%)
 rename examples/atm/{log.27Aug18.g++.4 => log.27Nov18.atm.g++.4} (81%)

diff --git a/examples/airebo/CH.airebo b/examples/airebo/CH.airebo
new file mode 120000
index 0000000000..60249102a5
--- /dev/null
+++ b/examples/airebo/CH.airebo
@@ -0,0 +1 @@
+../../potentials/CH.airebo
\ No newline at end of file
diff --git a/examples/airebo/CH.airebo-m b/examples/airebo/CH.airebo-m
new file mode 120000
index 0000000000..21f734dd05
--- /dev/null
+++ b/examples/airebo/CH.airebo-m
@@ -0,0 +1 @@
+../../potentials/CH.airebo-m
\ No newline at end of file
diff --git a/examples/airebo/in.airebo b/examples/airebo/in.airebo
index 5b0e36ff4a..7615412430 100644
--- a/examples/airebo/in.airebo
+++ b/examples/airebo/in.airebo
@@ -1,22 +1,22 @@
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
 
-replicate	    17 16 2
+replicate           17 16 2
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo C H
+pair_style          airebo 3.0 1 1
+pair_coeff          * * CH.airebo C H
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
diff --git a/examples/airebo/in.airebo-m b/examples/airebo/in.airebo-m
index 3ec29482a7..562b74e6fc 100644
--- a/examples/airebo/in.airebo-m
+++ b/examples/airebo/in.airebo-m
@@ -1,22 +1,22 @@
 # AIREBO polyethelene benchmark
 
-units		    metal
-atom_style	    atomic
+units               metal
+atom_style          atomic
 
-read_data	    data.airebo
+read_data           data.airebo
 
-replicate	    17 16 2
+replicate           17 16 2
 
-neighbor	    0.5 bin
-neigh_modify	    delay 5 every 1
+neighbor            0.5 bin
+neigh_modify        delay 5 every 1
 
-pair_style	    airebo/morse 3.0 1 1
-pair_coeff	    * * ../../potentials/CH.airebo-m C H
+pair_style          airebo/morse 3.0 1 1
+pair_coeff          * * CH.airebo-m C H
 
-velocity	    all create 300.0 761341
+velocity            all create 300.0 761341
 
-fix		    1 all nve
-timestep	    0.0005
+fix                 1 all nve
+timestep            0.0005
 
-thermo		    10
-run		    100
+thermo              10
+run                 100
diff --git a/examples/airebo/log.23Jun17.airebo-m.g++.1 b/examples/airebo/log.27Nov18.airebo-m.g++.1
similarity index 80%
rename from examples/airebo/log.23Jun17.airebo-m.g++.1
rename to examples/airebo/log.27Nov18.airebo-m.g++.1
index 1483fcb4a6..44d8b9d59c 100644
--- a/examples/airebo/log.23Jun17.airebo-m.g++.1
+++ b/examples/airebo/log.27Nov18.airebo-m.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (23 Jun 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
@@ -15,6 +15,7 @@ replicate	    17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   1 by 1 by 1 MPI processor grid
   32640 atoms
+  Time spent = 0.00141144 secs
 
 neighbor	    0.5 bin
 neigh_modify	    delay 5 every 1
@@ -55,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
       80    164.28396    -138709.5            0    -138016.4   -1524.7353 
       90    180.26403   -138776.42            0    -138015.9   -27143.467 
      100    164.05694   -138706.58            0   -138014.44    5157.5516 
-Loop time of 117.672 on 1 procs for 100 steps with 32640 atoms
+Loop time of 64.6107 on 1 procs for 100 steps with 32640 atoms
 
-Performance: 0.037 ns/day, 653.734 hours/ns, 0.850 timesteps/s
-99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.067 ns/day, 358.948 hours/ns, 1.548 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 108.31     | 108.31     | 108.31     |   0.0 | 92.04
-Neigh   | 9.2199     | 9.2199     | 9.2199     |   0.0 |  7.84
-Comm    | 0.052942   | 0.052942   | 0.052942   |   0.0 |  0.04
-Output  | 0.0015149  | 0.0015149  | 0.0015149  |   0.0 |  0.00
-Modify  | 0.060962   | 0.060962   | 0.060962   |   0.0 |  0.05
-Other   |            | 0.02656    |            |       |  0.02
+Pair    | 59.916     | 59.916     | 59.916     |   0.0 | 92.73
+Neigh   | 4.6347     | 4.6347     | 4.6347     |   0.0 |  7.17
+Comm    | 0.025572   | 0.025572   | 0.025572   |   0.0 |  0.04
+Output  | 0.00098896 | 0.00098896 | 0.00098896 |   0.0 |  0.00
+Modify  | 0.022327   | 0.022327   | 0.022327   |   0.0 |  0.03
+Other   |            | 0.01076    |            |       |  0.02
 
 Nlocal:    32640 ave 32640 max 32640 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -83,4 +84,4 @@ Total # of neighbors = 22210922
 Ave neighs/atom = 680.482
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:02:00
+Total wall time: 0:01:05
diff --git a/examples/airebo/log.23Jun17.airebo-m.g++.4 b/examples/airebo/log.27Nov18.airebo-m.g++.4
similarity index 80%
rename from examples/airebo/log.23Jun17.airebo-m.g++.4
rename to examples/airebo/log.27Nov18.airebo-m.g++.4
index 3a3d922bcb..a4cc55211b 100644
--- a/examples/airebo/log.23Jun17.airebo-m.g++.4
+++ b/examples/airebo/log.27Nov18.airebo-m.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (23 Jun 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
@@ -15,6 +15,7 @@ replicate	    17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   2 by 2 by 1 MPI processor grid
   32640 atoms
+  Time spent = 0.000637531 secs
 
 neighbor	    0.5 bin
 neigh_modify	    delay 5 every 1
@@ -55,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
       80    164.28396    -138709.5            0    -138016.4   -1524.7353 
       90    180.26403   -138776.42            0    -138015.9   -27143.467 
      100    164.05694   -138706.58            0   -138014.44    5157.5516 
-Loop time of 32.9268 on 4 procs for 100 steps with 32640 atoms
+Loop time of 18.1922 on 4 procs for 100 steps with 32640 atoms
 
-Performance: 0.131 ns/day, 182.927 hours/ns, 3.037 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.237 ns/day, 101.068 hours/ns, 5.497 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 28.045     | 28.537     | 29.42      |  10.4 | 86.67
-Neigh   | 3.163      | 3.237      | 3.3761     |   4.7 |  9.83
-Comm    | 0.09883    | 1.1206     | 1.6862     |  60.4 |  3.40
-Output  | 0.00099325 | 0.0011329  | 0.0012462  |   0.3 |  0.00
-Modify  | 0.016013   | 0.016726   | 0.017257   |   0.4 |  0.05
-Other   |            | 0.01459    |            |       |  0.04
+Pair    | 15.968     | 16.084     | 16.308     |   3.4 | 88.41
+Neigh   | 1.6017     | 1.6334     | 1.7006     |   3.1 |  8.98
+Comm    | 0.1603     | 0.45122    | 0.59951    |  26.0 |  2.48
+Output  | 0.00042605 | 0.00073195 | 0.0016003  |   0.0 |  0.00
+Modify  | 0.0092106  | 0.010544   | 0.014411   |   2.2 |  0.06
+Other   |            | 0.01193    |            |       |  0.07
 
 Nlocal:    8160 ave 8167 max 8153 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -83,4 +84,4 @@ Total # of neighbors = 22210922
 Ave neighs/atom = 680.482
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:33
+Total wall time: 0:00:18
diff --git a/examples/airebo/log.23Jun17.airebo.g++.1 b/examples/airebo/log.27Nov18.airebo.g++.1
similarity index 80%
rename from examples/airebo/log.23Jun17.airebo.g++.1
rename to examples/airebo/log.27Nov18.airebo.g++.1
index 0ef895dc28..3713c8a8f8 100644
--- a/examples/airebo/log.23Jun17.airebo.g++.1
+++ b/examples/airebo/log.27Nov18.airebo.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (23 Jun 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
@@ -15,6 +15,7 @@ replicate	    17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   1 by 1 by 1 MPI processor grid
   32640 atoms
+  Time spent = 0.00144172 secs
 
 neighbor	    0.5 bin
 neigh_modify	    delay 5 every 1
@@ -55,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
       80    157.16184   -138695.77            0   -138032.72    19824.698 
       90    196.15907   -138860.65            0   -138033.07   -7950.8462 
      100    178.31875   -138784.89            0   -138032.57    30997.671 
-Loop time of 110.107 on 1 procs for 100 steps with 32640 atoms
+Loop time of 57.9914 on 1 procs for 100 steps with 32640 atoms
 
-Performance: 0.039 ns/day, 611.705 hours/ns, 0.908 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.074 ns/day, 322.174 hours/ns, 1.724 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 100.76     | 100.76     | 100.76     |   0.0 | 91.51
-Neigh   | 9.1909     | 9.1909     | 9.1909     |   0.0 |  8.35
-Comm    | 0.058134   | 0.058134   | 0.058134   |   0.0 |  0.05
-Output  | 0.0015941  | 0.0015941  | 0.0015941  |   0.0 |  0.00
-Modify  | 0.062212   | 0.062212   | 0.062212   |   0.0 |  0.06
-Other   |            | 0.03123    |            |       |  0.03
+Pair    | 53.275     | 53.275     | 53.275     |   0.0 | 91.87
+Neigh   | 4.6548     | 4.6548     | 4.6548     |   0.0 |  8.03
+Comm    | 0.026622   | 0.026622   | 0.026622   |   0.0 |  0.05
+Output  | 0.00097251 | 0.00097251 | 0.00097251 |   0.0 |  0.00
+Modify  | 0.022773   | 0.022773   | 0.022773   |   0.0 |  0.04
+Other   |            | 0.01089    |            |       |  0.02
 
 Nlocal:    32640 ave 32640 max 32640 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -83,4 +84,4 @@ Total # of neighbors = 22217840
 Ave neighs/atom = 680.694
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:01:52
+Total wall time: 0:00:59
diff --git a/examples/airebo/log.23Jun17.airebo.g++.4 b/examples/airebo/log.27Nov18.airebo.g++.4
similarity index 80%
rename from examples/airebo/log.23Jun17.airebo.g++.4
rename to examples/airebo/log.27Nov18.airebo.g++.4
index 486b48a004..335690684a 100644
--- a/examples/airebo/log.23Jun17.airebo.g++.4
+++ b/examples/airebo/log.27Nov18.airebo.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (23 Jun 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # AIREBO polyethelene benchmark
 
@@ -15,6 +15,7 @@ replicate	    17 16 2
   orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
   2 by 2 by 1 MPI processor grid
   32640 atoms
+  Time spent = 0.00262594 secs
 
 neighbor	    0.5 bin
 neigh_modify	    delay 5 every 1
@@ -55,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
       80    157.16184   -138695.77            0   -138032.72    19824.698 
       90    196.15907   -138860.65            0   -138033.07   -7950.8462 
      100    178.31875   -138784.89            0   -138032.57    30997.671 
-Loop time of 30.1916 on 4 procs for 100 steps with 32640 atoms
+Loop time of 16.4395 on 4 procs for 100 steps with 32640 atoms
 
-Performance: 0.143 ns/day, 167.731 hours/ns, 3.312 timesteps/s
-99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.263 ns/day, 91.331 hours/ns, 6.083 timesteps/s
+98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 26.083     | 26.31      | 26.795     |   5.5 | 87.14
-Neigh   | 3.1781     | 3.2134     | 3.2775     |   2.2 | 10.64
-Comm    | 0.086296   | 0.63643    | 0.88995    |  40.2 |  2.11
-Output  | 0.00074124 | 0.0010698  | 0.0013616  |   0.7 |  0.00
-Modify  | 0.015335   | 0.016373   | 0.017565   |   0.8 |  0.05
-Other   |            | 0.01457    |            |       |  0.05
+Pair    | 14.263     | 14.349     | 14.483     |   2.3 | 87.28
+Neigh   | 1.6071     | 1.6283     | 1.6636     |   1.7 |  9.90
+Comm    | 0.26261    | 0.43435    | 0.52323    |  16.1 |  2.64
+Output  | 0.00042105 | 0.0007121  | 0.001538   |   0.0 |  0.00
+Modify  | 0.00898    | 0.009112   | 0.0093675  |   0.2 |  0.06
+Other   |            | 0.0184     |            |       |  0.11
 
 Nlocal:    8160 ave 8174 max 8146 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -83,4 +84,4 @@ Total # of neighbors = 22217840
 Ave neighs/atom = 680.694
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:30
+Total wall time: 0:00:16
diff --git a/examples/atm/in.atm b/examples/atm/in.atm
index 131528dce3..e0041d9d2a 100644
--- a/examples/atm/in.atm
+++ b/examples/atm/in.atm
@@ -1,31 +1,31 @@
 # Axilrod-Teller-Muto potential example
 
-variable	x index 1
-variable	y index 1
-variable	z index 1
+variable        x index 1
+variable        y index 1
+variable        z index 1
 
-variable	xx equal 10*$x
-variable	yy equal 10*$y
-variable	zz equal 10*$z
+variable        xx equal 10*$x
+variable        yy equal 10*$y
+variable        zz equal 10*$z
 
-units		lj
-atom_style	atomic
+units           lj
+atom_style      atomic
 
-lattice		fcc 0.65
-region		box block 0 ${xx} 0 ${yy} 0 ${zz}
-create_box	1 box
-create_atoms	1 box
+lattice         fcc 0.65
+region          box block 0 ${xx} 0 ${yy} 0 ${zz}
+create_box      1 box
+create_atoms    1 box
 
-pair_style	hybrid/overlay lj/cut 4.5 atm 4.5 2.5
-pair_coeff	* * lj/cut 1.0 1.0
-pair_coeff	* * atm * 0.072
+pair_style      hybrid/overlay lj/cut 4.5 atm 4.5 2.5
+pair_coeff      * * lj/cut 1.0 1.0
+pair_coeff      * * atm * 0.072
 
-mass		* 1.0
-velocity	all create 1.033 12345678 loop geom
+mass            * 1.0
+velocity        all create 1.033 12345678 loop geom
 
-fix		1 all nvt temp 1.033 1.033 0.05
+fix             1 all nvt temp 1.033 1.033 0.05
 
 timestep        0.002
-thermo		5
+thermo          5
 
-run 		25
+run             25
diff --git a/examples/atm/log.27Aug18.g++.1 b/examples/atm/log.27Nov18.atm.g++.1
similarity index 82%
rename from examples/atm/log.27Aug18.g++.1
rename to examples/atm/log.27Nov18.atm.g++.1
index 46215e108c..69bdb2f266 100644
--- a/examples/atm/log.27Aug18.g++.1
+++ b/examples/atm/log.27Nov18.atm.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (22 Aug 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Axilrod-Teller-Muto potential example
 
 variable	x index 1
@@ -26,7 +27,7 @@ Created orthogonal box = (0 0 0) to (18.3252 18.3252 18.3252)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
-  Time spent = 0.00139618 secs
+  Time spent = 0.000354767 secs
 
 pair_style	hybrid/overlay lj/cut 4.5 atm 4.5 2.5
 pair_coeff	* * lj/cut 1.0 1.0
@@ -66,20 +67,20 @@ Step Temp E_pair E_mol TotEng Press
       15    1.0376519     -4.84599            0   -3.2899013   -4.0278711 
       20    1.0382257   -4.8478854            0   -3.2909361   -3.9368052 
       25    1.0347886     -4.84473            0   -3.2929351   -3.8044469 
-Loop time of 15.95 on 1 procs for 25 steps with 4000 atoms
+Loop time of 11.3218 on 1 procs for 25 steps with 4000 atoms
 
-Performance: 270.846 tau/day, 1.567 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 381.565 tau/day, 2.208 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 15.946     | 15.946     | 15.946     |   0.0 | 99.97
+Pair    | 11.319     | 11.319     | 11.319     |   0.0 | 99.98
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0015042  | 0.0015042  | 0.0015042  |   0.0 |  0.01
-Output  | 0.00013781 | 0.00013781 | 0.00013781 |   0.0 |  0.00
-Modify  | 0.0017776  | 0.0017776  | 0.0017776  |   0.0 |  0.01
-Other   |            | 0.0006771  |            |       |  0.00
+Comm    | 0.0010235  | 0.0010235  | 0.0010235  |   0.0 |  0.01
+Output  | 0.00010943 | 0.00010943 | 0.00010943 |   0.0 |  0.00
+Modify  | 0.0012162  | 0.0012162  | 0.0012162  |   0.0 |  0.01
+Other   |            | 0.0004497  |            |       |  0.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -97,4 +98,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:16
+Total wall time: 0:00:11
diff --git a/examples/atm/log.27Aug18.g++.4 b/examples/atm/log.27Nov18.atm.g++.4
similarity index 81%
rename from examples/atm/log.27Aug18.g++.4
rename to examples/atm/log.27Nov18.atm.g++.4
index d84f17ee2b..1248040847 100644
--- a/examples/atm/log.27Aug18.g++.4
+++ b/examples/atm/log.27Nov18.atm.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (22 Aug 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Axilrod-Teller-Muto potential example
 
 variable	x index 1
@@ -26,7 +27,7 @@ Created orthogonal box = (0 0 0) to (18.3252 18.3252 18.3252)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
-  Time spent = 0.000900984 secs
+  Time spent = 0.000210762 secs
 
 pair_style	hybrid/overlay lj/cut 4.5 atm 4.5 2.5
 pair_coeff	* * lj/cut 1.0 1.0
@@ -66,20 +67,20 @@ Step Temp E_pair E_mol TotEng Press
       15    1.0376519     -4.84599            0   -3.2899013   -4.0278711 
       20    1.0382257   -4.8478854            0   -3.2909361   -3.9368052 
       25    1.0347886     -4.84473            0   -3.2929351   -3.8044469 
-Loop time of 4.34636 on 4 procs for 25 steps with 4000 atoms
+Loop time of 2.95263 on 4 procs for 25 steps with 4000 atoms
 
-Performance: 993.935 tau/day, 5.752 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1463.102 tau/day, 8.467 timesteps/s
+99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.9977     | 4.1036     | 4.209      |   4.9 | 94.41
+Pair    | 2.8823     | 2.9082     | 2.9447     |   1.4 | 98.49
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.13588    | 0.24134    | 0.34722    |  20.4 |  5.55
-Output  | 0.00013757 | 0.00015104 | 0.00016761 |   0.0 |  0.00
-Modify  | 0.00087953 | 0.00091547 | 0.00095582 |   0.0 |  0.02
-Other   |            | 0.0003656  |            |       |  0.01
+Comm    | 0.0066586  | 0.043249   | 0.069202   |  11.8 |  1.46
+Output  | 7.3671e-05 | 0.00015199 | 0.00038099 |   0.0 |  0.01
+Modify  | 0.00061488 | 0.0006243  | 0.00063872 |   0.0 |  0.02
+Other   |            | 0.0004148  |            |       |  0.01
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -97,4 +98,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:04
+Total wall time: 0:00:03

From c428088554516061a34a75835690056ee1b95071 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 14:40:20 -0500
Subject: [PATCH 204/273] update logfiles for balance examples

---
 .../log.27Nov18.balance.bond.fast.g++.2       | 242 ++++++++
 .../log.27Nov18.balance.bond.fast.g++.4       | 242 ++++++++
 .../log.27Nov18.balance.bond.slow.g++.2       | 541 ++++++++++++++++++
 ....4 => log.27Nov18.balance.bond.slow.g++.4} | 305 +++++-----
 .../log.27Nov18.balance.clock.dynamic.g++.2   | 227 ++++++++
 ...> log.27Nov18.balance.clock.dynamic.g++.4} | 161 +++---
 .../log.27Nov18.balance.clock.static.g++.2    | 195 +++++++
 ...=> log.27Nov18.balance.clock.static.g++.4} | 115 ++--
 examples/balance/log.27Nov18.balance.g++.2    | 209 +++++++
 examples/balance/log.27Nov18.balance.g++.4    | 209 +++++++
 .../log.27Nov18.balance.group.dynamic.g++.2   | 110 ++++
 ...> log.27Nov18.balance.group.dynamic.g++.4} |  35 +-
 .../log.27Nov18.balance.group.static.g++.2    | 146 +++++
 ...=> log.27Nov18.balance.group.static.g++.4} |  43 +-
 .../balance/log.27Nov18.balance.kspace.g++.2  | 117 ++++
 ...g++.4 => log.27Nov18.balance.kspace.g++.4} |  61 +-
 .../log.27Nov18.balance.neigh.dynamic.g++.2   | 228 ++++++++
 ...> log.27Nov18.balance.neigh.dynamic.g++.4} |  97 ++--
 .../log.27Nov18.balance.neigh.rcb.g++.2       | 141 +++++
 ....4 => log.27Nov18.balance.neigh.rcb.g++.4} |  79 +--
 .../log.27Nov18.balance.neigh.static.g++.2    | 211 +++++++
 ...=> log.27Nov18.balance.neigh.static.g++.4} | 114 ++--
 ... => log.27Nov18.balance.var.dynamic.g++.2} | 151 ++---
 .../log.27Nov18.balance.var.dynamic.g++.4     | 257 +++++++++
 .../log.5Oct16.balance.bond.fast.g++.4        | 225 --------
 examples/balance/log.5Oct16.balance.g++.4     | 202 -------
 26 files changed, 3694 insertions(+), 969 deletions(-)
 create mode 100644 examples/balance/log.27Nov18.balance.bond.fast.g++.2
 create mode 100644 examples/balance/log.27Nov18.balance.bond.fast.g++.4
 create mode 100644 examples/balance/log.27Nov18.balance.bond.slow.g++.2
 rename examples/balance/{log.5Oct16.balance.bond.slow.g++.4 => log.27Nov18.balance.bond.slow.g++.4} (85%)
 create mode 100644 examples/balance/log.27Nov18.balance.clock.dynamic.g++.2
 rename examples/balance/{log.5Oct16.balance.clock.dynamic.g++.4 => log.27Nov18.balance.clock.dynamic.g++.4} (57%)
 create mode 100644 examples/balance/log.27Nov18.balance.clock.static.g++.2
 rename examples/balance/{log.5Oct16.balance.clock.static.g++.4 => log.27Nov18.balance.clock.static.g++.4} (59%)
 create mode 100644 examples/balance/log.27Nov18.balance.g++.2
 create mode 100644 examples/balance/log.27Nov18.balance.g++.4
 create mode 100644 examples/balance/log.27Nov18.balance.group.dynamic.g++.2
 rename examples/balance/{log.5Oct16.balance.group.dynamic.g++.4 => log.27Nov18.balance.group.dynamic.g++.4} (73%)
 create mode 100644 examples/balance/log.27Nov18.balance.group.static.g++.2
 rename examples/balance/{log.5Oct16.balance.group.static.g++.4 => log.27Nov18.balance.group.static.g++.4} (74%)
 create mode 100644 examples/balance/log.27Nov18.balance.kspace.g++.2
 rename examples/balance/{log.5Oct16.balance.kspace.g++.4 => log.27Nov18.balance.kspace.g++.4} (58%)
 create mode 100644 examples/balance/log.27Nov18.balance.neigh.dynamic.g++.2
 rename examples/balance/{log.5Oct16.balance.neigh.dynamic.g++.4 => log.27Nov18.balance.neigh.dynamic.g++.4} (71%)
 create mode 100644 examples/balance/log.27Nov18.balance.neigh.rcb.g++.2
 rename examples/balance/{log.5Oct16.balance.neigh.rcb.g++.4 => log.27Nov18.balance.neigh.rcb.g++.4} (60%)
 create mode 100644 examples/balance/log.27Nov18.balance.neigh.static.g++.2
 rename examples/balance/{log.5Oct16.balance.neigh.static.g++.4 => log.27Nov18.balance.neigh.static.g++.4} (64%)
 rename examples/balance/{log.5Oct16.balance.var.dynamic.g++.2 => log.27Nov18.balance.var.dynamic.g++.2} (61%)
 create mode 100644 examples/balance/log.27Nov18.balance.var.dynamic.g++.4
 delete mode 100644 examples/balance/log.5Oct16.balance.bond.fast.g++.4
 delete mode 100644 examples/balance/log.5Oct16.balance.g++.4

diff --git a/examples/balance/log.27Nov18.balance.bond.fast.g++.2 b/examples/balance/log.27Nov18.balance.bond.fast.g++.2
new file mode 100644
index 0000000000..0cc1495368
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.bond.fast.g++.2
@@ -0,0 +1,242 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	bond
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box bond/types 1 extra/bond/per/atom 6
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 1 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.000778913 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+bond_style      harmonic
+bond_coeff      1 10.0 1.2
+
+# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
+
+special_bonds   lj/coul 0 1 1
+  0 = max # of 1-2 neighbors
+  1 = max # of special neighbors
+create_bonds    many all all 1 1.0 1.5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command create_bonds, occasional
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Added 1014 bonds, new total = 1014
+  6 = max # of 1-2 neighbors
+  6 = max # of special neighbors
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+comm_modify     cutoff 10.0   # because bonds stretch a long ways
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom (c_1%10)+1
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 10
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.156 | 5.167 | 5.177 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -2.2032569    3.1039469            2    1.0193906 
+     100    27.623422    -6.228166    2.6542136    1.0803324    1.0027701 
+     200     33.35302   -15.746749    3.2018248    1.1246537    1.0027701 
+     300     39.17734     -24.1557    4.9116986    1.1468144    1.0027701 
+     400    41.660701   -27.615203    8.6214678    1.2077562    1.0027701 
+     500    37.154935   -24.096954    3.2656298    1.2243767    1.0083102 
+     600    35.062196   -21.527799    2.3688444    1.1800554    1.0027701 
+     700    36.962955   -22.265373    3.0233424    1.1800554    1.0083102 
+     800    38.514356   -24.625735    5.2876402    1.2077562    1.0027701 
+     900    37.840168   -24.069158     4.443617    1.2022161    1.0083102 
+    1000    36.429396   -23.978878    7.2603394    1.1966759    1.0027701 
+    1100     34.75827   -22.743232    6.6304628    1.1745152    1.0083102 
+    1200    31.057199    -21.46544    3.7869701    1.1634349    1.0083102 
+    1300    33.127345   -22.426161     5.824726    1.0858726    1.0027701 
+    1400    31.678654   -21.604473    3.2219261    1.0360111    1.0083102 
+    1500    28.345212   -18.030807   0.93335223    1.1191136    1.0027701 
+    1600    26.031412   -15.389052   0.82549542    1.1080332    1.0027701 
+    1700    25.082832    -13.48625    1.0006592    1.0858726    1.0027701 
+    1800    25.673875   -13.965883   0.54607043    1.0692521    1.0027701 
+    1900    26.530842   -13.979318    2.0285449    1.1024931    1.0027701 
+    2000    25.910771   -14.244515    1.9592232    1.1191136    1.0027701 
+    2100    28.505636   -16.220559    1.7154775    1.1191136    1.0027701 
+    2200    28.142753   -15.564302    2.9946076    1.1135734    1.0027701 
+    2300    26.606225   -13.734442    1.4589278    1.0083102    1.0083102 
+    2400    25.664988   -12.389759    1.3450183    1.0360111    1.0027701 
+    2500    25.145328   -11.815173   0.48162788    1.0360111    1.0027701 
+    2600    26.654868   -13.916929    2.8361012    1.0581717    1.0083102 
+    2700      27.3758   -15.495452    4.1206412    1.0360111    1.0027701 
+    2800     23.60864   -14.520038    1.8948923    1.0193906    1.0027701 
+    2900    20.604557   -12.901121   0.17526991    1.0138504    1.0027701 
+    3000    20.852473   -12.756946  -0.44987285    1.0360111    1.0027701 
+    3100    21.934986   -12.797691   0.76186765    1.0415512    1.0027701 
+    3200    23.293263   -12.368233  0.021937309    1.0526316    1.0027701 
+    3300    22.091492    -10.88605  0.013006632    1.0415512    1.0083102 
+    3400    23.535429   -10.937804    2.0738989    1.0360111    1.0027701 
+    3500    24.503573   -12.202994     1.126785    1.0581717    1.0027701 
+    3600     23.54503   -12.745709   0.39022194    1.0858726    1.0027701 
+    3700    22.658187   -10.986188  -0.18869692    1.0692521    1.0027701 
+    3800    21.282045   -9.7879088 -0.061253454    1.0193906    1.0027701 
+    3900    20.571754   -9.1157993   -1.0178917    1.0526316    1.0027701 
+    4000    23.779702   -10.230328    1.0778525    1.0581717    1.0083102 
+    4100    23.675854    -10.63724   0.59402249    1.0415512    1.0027701 
+    4200    24.058963    -11.89505    0.3866378    1.0526316    1.0027701 
+    4300    22.683721   -11.358978    1.8269036    1.0470914    1.0083102 
+    4400    23.002345   -11.081443    0.4529456    1.0415512    1.0027701 
+    4500    21.984542   -10.233276  -0.60718244    1.0415512    1.0083102 
+    4600    22.079237    -9.979061   0.53013572    1.0415512    1.0027701 
+    4700    22.336961   -10.323583  -0.37512832    1.0249307    1.0027701 
+    4800    23.351699   -10.143724   0.95694397    1.0470914    1.0027701 
+    4900    23.643954   -10.687354    1.6062522    1.0858726    1.0083102 
+    5000    25.158132   -11.532398    1.3083639    1.0914127    1.0027701 
+    5100    23.755521   -10.978548   0.60587307    1.0470914    1.0027701 
+    5200    21.842692   -10.443216  -0.41185899    1.0637119    1.0027701 
+    5300    22.828066   -10.871114    1.1754353    1.0470914    1.0027701 
+    5400    24.883977    -12.39165   0.65101173    1.0470914    1.0027701 
+    5500    22.908286   -11.419431    1.4712698    1.0637119    1.0027701 
+    5600    22.718634   -12.083974    1.5706808    1.0526316    1.0027701 
+    5700    23.080763   -11.464882    1.2979578    1.0304709    1.0083102 
+    5800    21.877026   -11.483185     0.279772    1.0360111    1.0027701 
+    5900    22.526809   -10.868636   0.37121786    1.0637119    1.0083102 
+    6000    22.908857   -10.311118   0.58244569    1.0526316    1.0083102 
+    6100    22.399847   -10.222706   0.87875674    1.0858726    1.0027701 
+    6200    22.623463   -10.035541  -0.25811274    1.0304709    1.0027701 
+    6300    21.518006   -10.017552  -0.98187611    1.0470914    1.0083102 
+    6400    21.269816   -11.297716   0.20058535    1.0138504    1.0027701 
+    6500    23.362834   -11.263306   0.47670072    1.0692521    1.0027701 
+    6600    23.705236   -12.358492  -0.63286237    1.0027701    1.0027701 
+    6700    22.410623   -10.849516   0.57027834    1.0581717    1.0083102 
+    6800    21.661639   -9.3981379   0.38726515    1.0470914    1.0027701 
+    6900    21.856521   -8.8451751  0.053822789    1.0304709    1.0027701 
+    7000    21.069495   -8.6443387  -0.10412144    1.0193906    1.0027701 
+    7100    22.305494   -10.098469  -0.22662961    1.0581717    1.0027701 
+    7200     23.52884   -11.055929 -0.099869868    1.0692521    1.0027701 
+    7300    24.042008   -11.411758    2.0528788    1.0415512    1.0027701 
+    7400    22.870777   -12.408763   0.33346225    1.0249307    1.0027701 
+    7500    21.290152   -10.963058   0.26940112    1.0083102    1.0027701 
+    7600    21.702686    -10.36214   0.84057004    1.0083102    1.0027701 
+    7700    22.478034   -10.832724  -0.70855164    1.0747922    1.0027701 
+    7800    22.856853   -11.161008  -0.88354803    1.0083102    1.0083102 
+    7900    22.579842   -10.789899   0.40865274    1.0360111    1.0027701 
+    8000    24.364281   -12.116023  -0.44788445    1.0249307    1.0083102 
+    8100    22.993409   -10.261331   0.44712215    1.0193906    1.0027701 
+    8200    23.006207   -10.723372    1.2357091    1.0415512    1.0083102 
+    8300    23.292233   -10.041314     2.143692    1.0581717    1.0027701 
+    8400    21.658087   -10.089378  -0.25838681    1.0083102    1.0027701 
+    8500    23.268456   -10.356603  0.089787317    1.0526316    1.0083102 
+    8600    22.572019    -10.32801   0.12320758    1.0526316    1.0027701 
+    8700    22.970465   -10.662456   0.57027398    1.0581717    1.0083102 
+    8800    23.515552   -10.415842    1.0048598    1.0138504    1.0083102 
+    8900    22.733961   -10.343495   0.19917627    1.0360111    1.0083102 
+    9000    21.835458   -9.8740971   -1.0653164    1.0193906    1.0027701 
+    9100    22.062821   -9.2303832   0.21428267    1.0415512    1.0083102 
+    9200    23.020404   -10.321542  -0.48757848    1.0193906    1.0083102 
+    9300    22.529362   -9.2916938   0.57056277    1.0415512    1.0027701 
+    9400    23.301911   -10.538876   0.80637627    1.0138504    1.0027701 
+    9500    21.984286   -9.4754676  -0.19048233    1.0193906    1.0027701 
+    9600    23.710224   -10.274983   0.72268146    1.0249307    1.0027701 
+    9700    22.317038   -9.3509008  -0.45727658    1.0360111    1.0027701 
+    9800     23.41615   -10.026331  -0.45909049    1.0415512    1.0027701 
+    9900    22.130299    -11.18528  -0.15359132    1.0747922    1.0027701 
+   10000    23.273859   -11.337403    0.4036321    1.0304709    1.0083102 
+Loop time of 1.18289 on 2 procs for 10000 steps with 361 atoms
+
+Performance: 3652073.393 tau/day, 8453.874 timesteps/s
+97.0% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.25191    | 0.25685    | 0.2618     |   1.0 | 21.71
+Bond    | 0.097655   | 0.098332   | 0.099009   |   0.2 |  8.31
+Neigh   | 0.53258    | 0.53993    | 0.54728    |   1.0 | 45.65
+Comm    | 0.13457    | 0.15372    | 0.17288    |   4.9 | 13.00
+Output  | 0.0013587  | 0.0016007  | 0.0018427  |   0.6 |  0.14
+Modify  | 0.074109   | 0.074314   | 0.074518   |   0.1 |  6.28
+Other   |            | 0.05813    |            |       |  4.91
+
+Nlocal:    180.5 ave 182 max 179 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    172.5 ave 175 max 170 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    1421 ave 1488 max 1354 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 2842
+Ave neighs/atom = 7.87258
+Ave special neighs/atom = 5.61773
+Neighbor list builds = 4884
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/balance/log.27Nov18.balance.bond.fast.g++.4 b/examples/balance/log.27Nov18.balance.bond.fast.g++.4
new file mode 100644
index 0000000000..5cd072cf66
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.bond.fast.g++.4
@@ -0,0 +1,242 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	bond
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box bond/types 1 extra/bond/per/atom 6
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.00067687 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+bond_style      harmonic
+bond_coeff      1 10.0 1.2
+
+# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
+
+special_bonds   lj/coul 0 1 1
+  0 = max # of 1-2 neighbors
+  1 = max # of special neighbors
+create_bonds    many all all 1 1.0 1.5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command create_bonds, occasional
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Added 1014 bonds, new total = 1014
+  6 = max # of 1-2 neighbors
+  6 = max # of special neighbors
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+comm_modify     cutoff 10.0   # because bonds stretch a long ways
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom (c_1%10)+1
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 10
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.122 | 5.141 | 5.174 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
+     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
+     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
+     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
+     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
+     500    37.154928   -24.096946    3.2656177    1.3296399    1.0304709 
+     600    35.059873   -21.524223    2.3729526    1.3296399    1.0083102 
+     700    36.735117   -22.012675     3.266197    1.3296399    1.0083102 
+     800    39.218223   -25.076176    4.7162461    1.4182825    1.0193906 
+     900    38.003628   -24.598176    3.4651756    1.4958449    1.0083102 
+    1000    37.599298   -25.117714    4.6714491    1.2963989    1.0193906 
+    1100    35.587211   -24.476201    4.8766816    1.2077562    1.0083102 
+    1200     33.05745   -21.457847    4.7304313    1.2188366    1.0193906 
+    1300    35.505899   -20.103017    7.0543469    1.1523546    1.0193906 
+    1400    32.687958   -18.411286    2.8022421    1.1523546    1.0083102 
+    1500    30.681103   -13.979491    1.5780815    1.1523546    1.0083102 
+    1600    28.134276   -12.408217    1.4370834    1.2188366    1.0193906 
+    1700    29.150676   -12.486223    1.7118526    1.1745152    1.0083102 
+    1800    29.456937   -11.386522    2.0484739    1.1966759    1.0193906 
+    1900    28.029998   -11.168436   0.38519481    1.1080332    1.0193906 
+    2000    29.476997   -12.337678    1.8878345    1.1523546    1.0083102 
+    2100    30.113294   -12.201714    2.8003366    1.1634349    1.0193906 
+    2200    31.599067   -13.710787    2.5654923    1.2188366    1.0083102 
+    2300    31.333799   -12.269386    1.9573739    1.1412742    1.0193906 
+    2400    28.587094    -10.98229     2.090581    1.1745152    1.0083102 
+    2500    28.012332   -11.416553    2.3293146    1.1855956    1.0083102 
+    2600    28.703189    -13.33369    2.7247345    1.1080332    1.0083102 
+    2700    26.933934   -13.546384   0.71447362    1.0415512    1.0304709 
+    2800    24.556936   -12.231427  0.012081842    1.0526316    1.0193906 
+    2900    24.362943   -10.921093   -0.6063159    1.0858726    1.0193906 
+    3000    24.583358   -10.025143   0.35975315    1.0637119    1.0083102 
+    3100    26.119046   -10.124317   0.75140102    1.0415512    1.0193906 
+    3200    27.665317   -11.418452   0.39942176    1.1301939    1.0083102 
+    3300    27.771434   -9.9777413   0.94693011    1.1080332    1.0083102 
+    3400    25.692188   -9.9016885    2.2582772    1.0415512    1.0083102 
+    3500    27.009276   -10.504438   0.98279258    1.1301939    1.0083102 
+    3600    26.082843   -9.4359595 -0.030819747    1.1301939    1.0083102 
+    3700    23.956851   -8.4601884  -0.45748969    1.0858726    1.0304709 
+    3800     24.92141   -8.3315871  -0.19512647    1.0969529    1.0083102 
+    3900    26.048044   -9.6299934   0.40522014    1.0858726    1.0083102 
+    4000    26.558961   -10.032084   0.56213613    1.1745152    1.0083102 
+    4100    26.949686   -10.133598    1.0140825    1.0747922    1.0083102 
+    4200    25.868196   -9.3971859    1.2758465    1.0969529    1.0083102 
+    4300    24.563369   -9.5992996   0.17389949    1.1191136    1.0193906 
+    4400    24.032818   -10.002668   0.10233743    1.0969529    1.0083102 
+    4500    25.281577    -9.948799    0.7590423    1.1523546    1.0083102 
+    4600    25.010901   -10.195479  -0.24424931    1.0747922    1.0193906 
+    4700    25.062368   -9.2973021    1.1755931    1.0858726    1.0193906 
+    4800     25.70912    -8.890895    1.0780397    1.1080332    1.0193906 
+    4900    26.027757   -10.205469    1.0644859    1.1080332    1.0083102 
+    5000    25.845739   -9.8511049   0.49059257    1.1301939    1.0193906 
+    5100    25.614064   -9.0396911   0.40825814    1.0526316    1.0304709 
+    5200    25.548135    -9.000613   0.81571441    1.1080332    1.0083102 
+    5300    26.592601   -9.2385129    1.4983434    1.0637119    1.0193906 
+    5400    26.230779   -9.8226036    1.0072462    1.0858726    1.0083102 
+    5500    26.809887   -9.9569954    1.4074968    1.0415512    1.0083102 
+    5600    25.722206   -10.240487   -0.5216434    1.0747922    1.0193906 
+    5700    24.973866   -9.0820997   0.92104357    1.0193906    1.0083102 
+    5800    24.257134   -9.5439897  -0.75290789    1.0858726    1.0083102 
+    5900    25.524917   -8.9920216    1.2049479    1.1191136    1.0083102 
+    6000    24.816532   -9.5865764  -0.66634446    1.0637119    1.0193906 
+    6100    27.034385   -9.4017037    1.0769494    1.0969529    1.0083102 
+    6200     24.19144   -8.2292864   0.97913204    1.0415512    1.0193906 
+    6300    26.112877   -9.1531212   0.77578963    1.0526316    1.0193906 
+    6400    25.820541   -9.9662231 -0.092724413    1.0969529    1.0193906 
+    6500    26.181404   -9.5875764  -0.30106405    1.1634349    1.0083102 
+    6600    27.770851   -8.8366116   0.94545206    1.0304709    1.0193906 
+    6700    26.065489   -9.8223382   0.24640067    1.0526316    1.0193906 
+    6800    27.468165   -10.160923    2.7263738    1.0747922    1.0304709 
+    6900    27.317955   -10.356911     1.131609    1.0526316    1.0304709 
+    7000    26.343789   -9.9153453    1.0385354    1.0858726    1.0193906 
+    7100    24.366577   -8.9243936   0.37685043    1.0526316    1.0193906 
+    7200    25.570042   -8.9195237   0.44206575    1.0637119    1.0193906 
+    7300    24.635046   -8.4524117  -0.20581694    1.0193906    1.0193906 
+    7400    27.161863   -7.9885934    1.1323072    1.0858726    1.0193906 
+    7500      26.8044   -9.5703931   0.69476535    1.0858726    1.0193906 
+    7600    27.381006   -10.702178  -0.20230101    1.0526316    1.0083102 
+    7700    26.507406    -9.828117   0.50115907    1.0415512    1.0193906 
+    7800    25.945271   -8.9912842   0.89121191    1.0747922    1.0083102 
+    7900    24.498681   -7.7193231  -0.63874494    1.0858726    1.0083102 
+    8000    24.517408   -7.6046107  -0.91642337    1.0415512    1.0083102 
+    8100    26.388387   -8.1883906  0.093136981    1.1080332    1.0193906 
+    8200    26.261054   -8.7223732 -0.086859057    1.0747922    1.0083102 
+    8300    26.287026   -9.2583895   0.79506804    1.0858726    1.0083102 
+    8400    24.691375   -9.0701909  -0.40058151    1.0637119    1.0193906 
+    8500    25.390612   -7.9499801   0.59874113    1.1412742    1.0193906 
+    8600     26.84383   -8.5520984   0.37618599    1.0637119    1.0083102 
+    8700    25.685137    -7.688836  0.035978149    1.0415512    1.0193906 
+    8800    26.614591   -9.0444146   0.20671465    1.0193906    1.0083102 
+    8900    25.782718   -8.2594705   0.54378816    1.0747922    1.0304709 
+    9000    26.026886   -8.6777252   0.25418163    1.1191136    1.0083102 
+    9100    27.246916   -9.0307861     1.211131    1.0526316    1.0193906 
+    9200    27.282948    -9.180029 -0.0056269613    1.0747922    1.0083102 
+    9300    27.029692   -8.7791461   0.35971649    1.0304709    1.0083102 
+    9400    26.549013   -7.5083174   0.77607249    1.0969529    1.0193906 
+    9500    25.533731   -9.2763668   0.28360762    1.0969529    1.0083102 
+    9600    27.997538   -9.2766769    1.6968428    1.0637119    1.0083102 
+    9700    26.977436     -9.21372    1.8007256    1.0637119    1.0083102 
+    9800    25.547091   -9.1024445  -0.29158273    1.0969529    1.0193906 
+    9900    26.378841   -8.7645665    1.0385835    1.1080332    1.0083102 
+   10000    26.699368   -8.5450739   0.19591452    1.0526316    1.0193906 
+Loop time of 0.916576 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 4713193.307 tau/day, 10910.170 timesteps/s
+92.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.10915    | 0.12374    | 0.14167    |   3.5 | 13.50
+Bond    | 0.047075   | 0.049849   | 0.054161   |   1.2 |  5.44
+Neigh   | 0.31176    | 0.3246     | 0.3384     |   1.7 | 35.41
+Comm    | 0.24271    | 0.26717    | 0.30549    |   4.9 | 29.15
+Output  | 0.0017068  | 0.0021075  | 0.0031145  |   1.3 |  0.23
+Modify  | 0.064639   | 0.065705   | 0.067641   |   0.5 |  7.17
+Other   |            | 0.08341    |            |       |  9.10
+
+Nlocal:    90.25 ave 92 max 89 min
+Histogram: 1 0 0 2 0 0 0 0 0 1
+Nghost:    248.25 ave 264 max 230 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Neighs:    569.5 ave 657 max 519 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 2278
+Ave neighs/atom = 6.31025
+Ave special neighs/atom = 5.61773
+Neighbor list builds = 4964
+Dangerous builds = 14
+Total wall time: 0:00:00
diff --git a/examples/balance/log.27Nov18.balance.bond.slow.g++.2 b/examples/balance/log.27Nov18.balance.bond.slow.g++.2
new file mode 100644
index 0000000000..5e23613f1f
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.bond.slow.g++.2
@@ -0,0 +1,541 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+
+# careful not to slam into wall too hard
+
+variable	v index 0.3
+variable	w index 0.08
+
+units		lj
+dimension       2
+atom_style	bond
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box bond/types 1 extra/bond/per/atom 6
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 1 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.000762701 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 0.3 $w 0 sum yes
+velocity        all set 0.3 0.08 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+bond_style      harmonic
+bond_coeff      1 10.0 1.2
+
+create_bonds    many all all 1 1.0 1.5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command create_bonds, occasional
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Added 1014 bonds, new total = 1014
+  6 = max # of 1-2 neighbors
+  30 = max # of 1-3 neighbors
+  180 = max # of 1-4 neighbors
+  36 = max # of special neighbors
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom (c_1%10)+1
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 200 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		40000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.079 | 7.108 | 7.137 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0   0.57437856            0   0.26099453            2    1.0193906 
+     100   0.29756515            0   0.10149401    1.0027701    1.0027701 
+     200   0.35394813            0  0.075159099    1.0027701    1.0083102 
+     300   0.39245849            0  0.033002384    1.0027701    1.0027701 
+     400   0.34078347            0 -0.020825841    1.0083102    1.0027701 
+     500   0.35201095            0 -0.062637506    1.0027701    1.0027701 
+     600   0.34014717            0  -0.11122965    1.0249307    1.0027701 
+     700    0.3323524            0  -0.11598015    1.0083102    1.0027701 
+     800   0.35116047            0 -0.096162395    1.0138504    1.0027701 
+     900   0.35695352            0  -0.01385176    1.0249307    1.0027701 
+    1000   0.36986539            0  0.056772858    1.0027701    1.0027701 
+    1100   0.34584644            0  0.084941323    1.0138504    1.0027701 
+    1200   0.31921435            0   0.10545078    1.0138504    1.0027701 
+    1300   0.32952819            0     0.124902    1.0027701    1.0027701 
+    1400   0.34497365            0   0.12662081    1.0138504    1.0027701 
+    1500   0.33429243            0  0.096230972    1.0193906    1.0027701 
+    1600   0.33765387            0  0.025800542    1.0193906    1.0027701 
+    1700   0.35134464            0  -0.04422593    1.0083102    1.0027701 
+    1800   0.35003859            0 -0.096745576    1.0083102    1.0083102 
+    1900   0.33839618            0 -0.095465943    1.0027701    1.0027701 
+    2000   0.33732078            0 -0.094652802    1.0027701    1.0027701 
+    2100   0.34552238            0 -0.076729261    1.0083102    1.0027701 
+    2200   0.34893142            0 -0.036853228    1.0083102    1.0083102 
+    2300   0.35379341            0  0.021124847    1.0193906    1.0027701 
+    2400   0.34829744            0   0.09230184    1.0027701    1.0027701 
+    2500   0.33038141            0    0.1399855    1.0027701    1.0083102 
+    2600   0.30983019            0   0.12754742    1.0083102    1.0027701 
+    2700   0.32992561            0   0.10485138    1.0193906    1.0027701 
+    2800   0.34604747            0  0.066174138    1.0083102    1.0027701 
+    2900    0.3444791            0  0.036590652    1.0083102    1.0083102 
+    3000   0.34721342            0 -0.023793368    1.0138504    1.0027701 
+    3100   0.33404314            0  -0.08374223    1.0083102    1.0027701 
+    3200   0.33019355            0  -0.12715599    1.0083102    1.0027701 
+    3300   0.33515177            0  -0.12217394    1.0083102    1.0027701 
+    3400   0.33628481            0 -0.070877624    1.0083102    1.0027701 
+    3500   0.34257038            0 -0.021612062    1.0027701    1.0027701 
+    3600   0.32838009            0  0.030131228    1.0027701    1.0027701 
+    3700   0.34462142            0  0.074586378    1.0138504    1.0027701 
+    3800   0.30891825            0   0.10605673    1.0138504    1.0027701 
+    3900   0.33847951            0   0.13956139    1.0027701    1.0027701 
+    4000   0.32952079            0   0.12688129    1.0027701    1.0027701 
+    4100   0.32646772            0  0.081089042    1.0083102    1.0027701 
+    4200   0.35399503            0  0.013422873    1.0027701    1.0027701 
+    4300   0.33154914            0 -0.050919508    1.0027701    1.0083102 
+    4400   0.34113556            0    -0.083171    1.0249307    1.0027701 
+    4500   0.32651708            0   -0.1063133    1.0193906    1.0027701 
+    4600   0.34359609            0   -0.1076395    1.0027701    1.0027701 
+    4700   0.34973537            0 -0.088231606    1.0138504    1.0027701 
+    4800   0.35198515            0 -0.020901044    1.0027701    1.0027701 
+    4900   0.35187284            0  0.043645941    1.0193906    1.0027701 
+    5000   0.34887336            0  0.095698609    1.0027701    1.0027701 
+    5100   0.30308163            0   0.11649328    1.0138504    1.0027701 
+    5200   0.32401285            0   0.12072411    1.0083102    1.0083102 
+    5300   0.33025072            0   0.10933161    1.0138504    1.0027701 
+    5400   0.33288012            0  0.078356448    1.0083102    1.0027701 
+    5500   0.35142492            0  0.036958063    1.0027701    1.0027701 
+    5600   0.35125368            0 -0.041371343    1.0193906    1.0027701 
+    5700   0.34547744            0 -0.096450846    1.0193906    1.0027701 
+    5800   0.30939887            0  -0.12356656    1.0027701    1.0083102 
+    5900   0.32315628            0  -0.11338676    1.0083102    1.0027701 
+    6000   0.34117485            0 -0.066198961    1.0027701    1.0027701 
+    6100   0.35298043            0 -0.016172816    1.0138504    1.0027701 
+    6200   0.35130653            0  0.027660468    1.0027701    1.0027701 
+    6300   0.35398766            0  0.087221238    1.0027701    1.0027701 
+    6400   0.30963379            0   0.11990957    1.0138504    1.0027701 
+    6500    0.3174541            0   0.14103528    1.0083102    1.0083102 
+    6600   0.31989791            0   0.11575506    1.0083102    1.0083102 
+    6700   0.33811477            0  0.060747353    1.0083102    1.0083102 
+    6800    0.3424043            0  0.010357152    1.0083102    1.0027701 
+    6900   0.34804319            0 -0.042621786    1.0083102    1.0027701 
+    7000   0.35357865            0 -0.067248959    1.0027701    1.0027701 
+    7100   0.33556885            0  -0.10983726    1.0083102    1.0027701 
+    7200   0.33531101            0    -0.112179    1.0027701    1.0027701 
+    7300   0.35742607            0 -0.078405267    1.0083102    1.0027701 
+    7400   0.34577559            0  -0.01985432    1.0027701    1.0083102 
+    7500    0.3498641            0  0.052289439    1.0027701    1.0027701 
+    7600   0.33773715            0  0.092939035    1.0027701    1.0027701 
+    7700   0.33093497            0   0.11924405    1.0083102    1.0027701 
+    7800   0.31435814            0   0.12701724    1.0027701    1.0027701 
+    7900   0.33132217            0   0.10793075    1.0083102    1.0027701 
+    8000   0.33451798            0  0.077993125    1.0027701    1.0027701 
+    8100   0.35188371            0  0.019929977    1.0083102    1.0083102 
+    8200   0.33645742            0 -0.039302079    1.0027701    1.0027701 
+    8300    0.3415632            0 -0.098067982    1.0138504    1.0027701 
+    8400   0.30619282            0  -0.12952879    1.0138504    1.0027701 
+    8500   0.34446484            0 -0.098084709    1.0027701    1.0027701 
+    8600   0.33761673            0  -0.07069818    1.0027701    1.0027701 
+    8700   0.34495452            0 -0.022458056    1.0083102    1.0027701 
+    8800   0.33502983            0  0.027742411    1.0027701    1.0027701 
+    8900   0.35418591            0  0.092390134    1.0083102    1.0083102 
+    9000   0.31648387            0   0.12467398    1.0083102    1.0027701 
+    9100   0.33994825            0   0.14460327    1.0138504    1.0027701 
+    9200   0.33822571            0   0.11273284    1.0027701    1.0027701 
+    9300   0.33260773            0  0.060063671    1.0083102    1.0083102 
+    9400   0.36140305            0  0.021427642    1.0138504    1.0027701 
+    9500   0.34273562            0 -0.034064202    1.0083102    1.0027701 
+    9600   0.33867054            0 -0.089076906    1.0138504    1.0027701 
+    9700   0.32088235            0  -0.12027075    1.0138504    1.0083102 
+    9800    0.3320823            0  -0.11602794    1.0138504    1.0027701 
+    9900   0.33916442            0 -0.080281044    1.0083102    1.0027701 
+   10000   0.34852268            0  -0.01000914    1.0083102    1.0083102 
+   10100   0.32955942            0   0.04258493    1.0027701    1.0083102 
+   10200   0.34487898            0  0.086971308    1.0083102    1.0027701 
+   10300   0.32325593            0   0.11558149    1.0138504    1.0027701 
+   10400   0.30927871            0   0.12239437    1.0027701    1.0027701 
+   10500   0.33176799            0   0.12285937    1.0138504    1.0083102 
+   10600   0.35120027            0  0.084897432    1.0027701    1.0027701 
+   10700   0.33129697            0 0.0053089279    1.0138504    1.0027701 
+   10800   0.36028769            0  -0.04280715    1.0083102    1.0027701 
+   10900   0.35552287            0 -0.084955999    1.0138504    1.0027701 
+   11000    0.3406024            0 -0.096554577    1.0027701    1.0027701 
+   11100   0.33041202            0  -0.10703492    1.0138504    1.0027701 
+   11200   0.32442686            0 -0.084328121    1.0193906    1.0027701 
+   11300   0.35952468            0 -0.020191965    1.0083102    1.0027701 
+   11400   0.34610624            0   0.03440148    1.0138504    1.0027701 
+   11500    0.3415612            0    0.1041929    1.0027701    1.0027701 
+   11600   0.34040042            0   0.13215705    1.0138504    1.0027701 
+   11700   0.33555094            0   0.12738686    1.0193906    1.0027701 
+   11800    0.3458647            0   0.10963398    1.0027701    1.0083102 
+   11900   0.33836678            0  0.067253864    1.0138504    1.0027701 
+   12000   0.34853314            0   0.03201448    1.0027701    1.0027701 
+   12100   0.34600048            0 -0.034833402    1.0083102    1.0027701 
+   12200   0.33145631            0  -0.09865675    1.0083102    1.0027701 
+   12300   0.32848884            0   -0.1248489    1.0083102    1.0027701 
+   12400    0.3321344            0  -0.11266575    1.0027701    1.0083102 
+   12500   0.32622305            0 -0.061634993    1.0083102    1.0083102 
+   12600   0.36213537            0 -0.0090593315    1.0138504    1.0027701 
+   12700   0.34673866            0  0.036734645    1.0138504    1.0027701 
+   12800   0.34606618            0  0.086267678    1.0138504    1.0027701 
+   12900   0.34271431            0   0.12415522    1.0027701    1.0027701 
+   13000   0.31993287            0   0.13879926    1.0027701    1.0083102 
+   13100    0.3422918            0   0.11978905    1.0083102    1.0027701 
+   13200   0.33055236            0  0.062620483    1.0083102    1.0027701 
+   13300   0.34652207            0 0.0043833459    1.0138504    1.0027701 
+   13400   0.33574661            0  -0.04691024    1.0027701    1.0027701 
+   13500   0.33940837            0 -0.074241604    1.0027701    1.0083102 
+   13600   0.32093414            0   -0.1078027    1.0138504    1.0083102 
+   13700   0.34336597            0  -0.10544097    1.0027701    1.0027701 
+   13800   0.35806461            0 -0.072531559    1.0027701    1.0027701 
+   13900   0.35209713            0 -0.018851408    1.0083102    1.0083102 
+   14000   0.35702629            0  0.061046366    1.0027701    1.0027701 
+   14100   0.33234093            0  0.094086465    1.0027701    1.0027701 
+   14200    0.3459466            0   0.12186656    1.0027701    1.0027701 
+   14300    0.3327428            0   0.11396572    1.0027701    1.0027701 
+   14400   0.32409443            0   0.10658903    1.0083102    1.0083102 
+   14500   0.35022184            0  0.083558031    1.0083102    1.0083102 
+   14600   0.34823843            0  0.024605569    1.0083102    1.0083102 
+   14700   0.35298973            0 -0.040418888    1.0027701    1.0027701 
+   14800   0.33679845            0  -0.10067728    1.0027701    1.0027701 
+   14900   0.32790966            0  -0.10925568    1.0083102    1.0027701 
+   15000   0.34208495            0  -0.09568004    1.0193906    1.0027701 
+   15100   0.33647529            0 -0.055652929    1.0027701    1.0027701 
+   15200   0.35328398            0 -0.020236536    1.0083102    1.0027701 
+   15300   0.34252669            0  0.026434179    1.0083102    1.0027701 
+   15400   0.34409435            0  0.094410599    1.0027701    1.0027701 
+   15500   0.32288994            0   0.12034455    1.0083102    1.0027701 
+   15600   0.32109689            0   0.13645185    1.0083102    1.0027701 
+   15700   0.33681572            0  0.098607746    1.0083102    1.0027701 
+   15800   0.33635195            0   0.05570715    1.0083102    1.0083102 
+   15900   0.34289757            0  0.013849092    1.0083102    1.0027701 
+   16000   0.34225547            0 -0.035597548    1.0193906    1.0027701 
+   16100   0.33660991            0 -0.076931881    1.0027701    1.0027701 
+   16200   0.32802152            0  -0.12765884    1.0083102    1.0027701 
+   16300    0.3469374            0  -0.10785455    1.0083102    1.0083102 
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+   40000   0.36309266            0 0.0050869295    1.0304709    1.0027701 
+Loop time of 1.30389 on 2 procs for 40000 steps with 361 atoms
+
+Performance: 13252650.572 tau/day, 30677.432 timesteps/s
+97.6% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.041365   | 0.041785   | 0.042204   |   0.2 |  3.20
+Bond    | 0.35501    | 0.37082    | 0.38664    |   2.6 | 28.44
+Neigh   | 0.30901    | 0.31013    | 0.31125    |   0.2 | 23.78
+Comm    | 0.12939    | 0.15871    | 0.18803    |   7.4 | 12.17
+Output  | 0.00489    | 0.005671   | 0.0064521  |   1.0 |  0.43
+Modify  | 0.28208    | 0.28362    | 0.28516    |   0.3 | 21.75
+Other   |            | 0.1332     |            |       | 10.21
+
+Nlocal:    180.5 ave 181 max 180 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    52.5 ave 53 max 52 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 0
+Ave neighs/atom = 0
+Ave special neighs/atom = 31.0249
+Neighbor list builds = 3079
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/balance/log.5Oct16.balance.bond.slow.g++.4 b/examples/balance/log.27Nov18.balance.bond.slow.g++.4
similarity index 85%
rename from examples/balance/log.5Oct16.balance.bond.slow.g++.4
rename to examples/balance/log.27Nov18.balance.bond.slow.g++.4
index 7e50516242..c799657e53 100644
--- a/examples/balance/log.5Oct16.balance.bond.slow.g++.4
+++ b/examples/balance/log.27Nov18.balance.bond.slow.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d circle of particles inside a box with LJ walls
 
 variable        b index 0
@@ -31,6 +32,7 @@ region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
 region		circle sphere 11 6.7735026918962581988 0.0 10
 create_atoms	1 region circle
 Created 361 atoms
+  Time spent = 0.000665188 secs
 mass		1 1.0
 
 velocity	all create 0.5 87287 loop geom
@@ -44,14 +46,24 @@ pair_coeff	1 1 10.0 1.0 2.5
 bond_style      harmonic
 bond_coeff      1 10.0 1.2
 
-create_bonds    all all 1 1.0 1.5
+create_bonds    many all all 1 1.0 1.5
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
+  binsize = 1.4, bins = 42 29 1
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command create_bonds, occasional
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
 Added 1014 bonds, new total = 1014
   6 = max # of 1-2 neighbors
   30 = max # of 1-3 neighbors
@@ -84,106 +96,111 @@ thermo          100
 
 run		40000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 6.41878 Mbytes
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.02 | 7.048 | 7.096 Mbytes
 Step Temp E_pair Press f_10[3] f_10 
        0   0.57437856            0   0.26099453    3.2354571    1.0526316 
      100   0.29756515            0   0.10149401    1.0193906    1.0083102 
-     200   0.35394813            0  0.075159099    1.0304709    1.0083102 
-     300   0.39245849            0  0.033002384    1.0304709    1.0193906 
+     200   0.35394813            0  0.075159099    1.0304709    1.0193906 
+     300   0.39245849            0  0.033002384    1.0083102    1.0193906 
      400   0.34078347            0 -0.020825841    1.0304709    1.0083102 
      500   0.35201095            0 -0.062637506    1.0193906    1.0083102 
      600   0.34014717            0  -0.11122965    1.0415512    1.0083102 
      700    0.3323524            0  -0.11598015    1.0193906    1.0083102 
-     800   0.35116047            0 -0.096162395    1.0083102    1.0193906 
+     800   0.35116047            0 -0.096162395    1.0193906    1.0193906 
      900   0.35695352            0  -0.01385176    1.0526316    1.0193906 
     1000   0.36986539            0  0.056772858    1.0083102    1.0083102 
-    1100   0.34584644            0  0.084941323    1.0193906    1.0083102 
-    1200   0.31921435            0   0.10545078    1.0415512    1.0193906 
-    1300   0.32952819            0     0.124902    1.0083102    1.0083102 
+    1100   0.34584644            0  0.084941323    1.0304709    1.0083102 
+    1200   0.31921435            0   0.10545078    1.0415512    1.0083102 
+    1300   0.32952819            0     0.124902    1.0083102    1.0193906 
     1400   0.34497365            0   0.12662081    1.0193906    1.0083102 
-    1500   0.33429243            0  0.096230972    1.0526316    1.0193906 
+    1500   0.33429243            0  0.096230972    1.0193906    1.0193906 
     1600   0.33765387            0  0.025800542    1.0304709    1.0083102 
     1700   0.35134464            0  -0.04422593    1.0415512    1.0083102 
-    1800   0.35003859            0 -0.096745576    1.0304709    1.0193906 
+    1800   0.35003859            0 -0.096745576    1.0304709    1.0083102 
     1900   0.33839618            0 -0.095465943    1.0193906    1.0083102 
     2000   0.33732078            0 -0.094652802    1.0083102    1.0083102 
     2100   0.34552238            0 -0.076729261    1.0304709    1.0083102 
-    2200   0.34893142            0 -0.036853228    1.0304709    1.0193906 
-    2300   0.35379341            0  0.021124847    1.0304709    1.0304709 
-    2400   0.34829744            0   0.09230184    1.0304709    1.0193906 
+    2200   0.34893142            0 -0.036853228    1.0304709    1.0083102 
+    2300   0.35379341            0  0.021124847    1.0304709    1.0193906 
+    2400   0.34829744            0   0.09230184    1.0304709    1.0083102 
     2500   0.33038141            0    0.1399855    1.0193906    1.0193906 
-    2600   0.30983019            0   0.12754742    1.0193906    1.0083102 
-    2700   0.32992561            0   0.10485138    1.0415512    1.0304709 
+    2600   0.30983019            0   0.12754742    1.0083102    1.0083102 
+    2700   0.32992561            0   0.10485138    1.0415512    1.0083102 
     2800   0.34604747            0  0.066174138    1.0083102    1.0083102 
     2900    0.3444791            0  0.036590652    1.0193906    1.0193906 
-    3000   0.34721342            0 -0.023793368    1.0193906    1.0083102 
+    3000   0.34721342            0 -0.023793368    1.0193906    1.0193906 
     3100   0.33404314            0  -0.08374223    1.0415512    1.0083102 
-    3200   0.33019355            0  -0.12715599    1.0083102    1.0083102 
+    3200   0.33019355            0  -0.12715599    1.0083102    1.0304709 
     3300   0.33515177            0  -0.12217394    1.0193906    1.0083102 
     3400   0.33628481            0 -0.070877624    1.0193906    1.0083102 
     3500   0.34257038            0 -0.021612062    1.0304709    1.0083102 
     3600   0.32838009            0  0.030131228    1.0083102    1.0083102 
-    3700   0.34462142            0  0.074586378    1.0415512    1.0083102 
+    3700   0.34462142            0  0.074586378    1.0526316    1.0193906 
     3800   0.30891825            0   0.10605673    1.0304709    1.0083102 
-    3900   0.33847951            0   0.13956139    1.0415512    1.0193906 
+    3900   0.33847951            0   0.13956139    1.0083102    1.0083102 
     4000   0.32952079            0   0.12688129    1.0193906    1.0304709 
     4100   0.32646772            0  0.081089042    1.0304709    1.0193906 
     4200   0.35399503            0  0.013422873    1.0083102    1.0083102 
-    4300   0.33154914            0 -0.050919508    1.0083102    1.0193906 
-    4400   0.34113556            0    -0.083171    1.0415512    1.0083102 
-    4500   0.32651708            0   -0.1063133    1.0193906    1.0083102 
-    4600   0.34359609            0   -0.1076395    1.0083102    1.0193906 
+    4300   0.33154914            0 -0.050919508    1.0193906    1.0193906 
+    4400   0.34113556            0    -0.083171    1.0304709    1.0083102 
+    4500   0.32651708            0   -0.1063133    1.0304709    1.0083102 
+    4600   0.34359609            0   -0.1076395    1.0083102    1.0083102 
     4700   0.34973537            0 -0.088231606    1.0415512    1.0083102 
     4800   0.35198515            0 -0.020901044    1.0415512    1.0083102 
-    4900   0.35187284            0  0.043645941    1.0193906    1.0083102 
+    4900   0.35187284            0  0.043645941    1.0415512    1.0083102 
     5000   0.34887336            0  0.095698609    1.0193906    1.0083102 
-    5100   0.30308163            0   0.11649328    1.0083102    1.0083102 
+    5100   0.30308163            0   0.11649328    1.0193906    1.0083102 
     5200   0.32401285            0   0.12072411    1.0193906    1.0083102 
-    5300   0.33025072            0   0.10933161    1.0304709    1.0083102 
+    5300   0.33025072            0   0.10933161    1.0193906    1.0083102 
     5400   0.33288012            0  0.078356448    1.0083102    1.0193906 
     5500   0.35142492            0  0.036958063    1.0193906    1.0083102 
     5600   0.35125368            0 -0.041371343    1.0304709    1.0083102 
     5700   0.34547744            0 -0.096450846    1.0637119    1.0083102 
-    5800   0.30939887            0  -0.12356656    1.0083102    1.0083102 
-    5900   0.32315628            0  -0.11338676    1.0193906    1.0304709 
-    6000   0.34117485            0 -0.066198961    1.0193906    1.0193906 
+    5800   0.30939887            0  -0.12356656    1.0083102    1.0193906 
+    5900   0.32315628            0  -0.11338676    1.0193906    1.0193906 
+    6000   0.34117485            0 -0.066198961    1.0193906    1.0083102 
     6100   0.35298043            0 -0.016172816    1.0304709    1.0193906 
     6200   0.35130653            0  0.027660468    1.0415512    1.0083102 
-    6300   0.35398766            0  0.087221238    1.0083102    1.0193906 
-    6400   0.30963379            0   0.11990957    1.0193906    1.0083102 
+    6300   0.35398766            0  0.087221238    1.0083102    1.0083102 
+    6400   0.30963379            0   0.11990957    1.0415512    1.0083102 
     6500    0.3174541            0   0.14103528    1.0193906    1.0193906 
-    6600   0.31989791            0   0.11575506    1.0415512    1.0193906 
-    6700   0.33811477            0  0.060747353    1.0083102    1.0193906 
-    6800    0.3424043            0  0.010357152    1.0304709    1.0083102 
+    6600   0.31989791            0   0.11575506    1.0304709    1.0193906 
+    6700   0.33811477            0  0.060747353    1.0415512    1.0193906 
+    6800    0.3424043            0  0.010357152    1.0193906    1.0083102 
     6900   0.34804319            0 -0.042621786    1.0193906    1.0083102 
-    7000   0.35357865            0 -0.067248959    1.0304709    1.0083102 
+    7000   0.35357865            0 -0.067248959    1.0083102    1.0083102 
     7100   0.33556885            0  -0.10983726    1.0193906    1.0083102 
     7200   0.33531101            0    -0.112179    1.0304709    1.0083102 
     7300   0.35742607            0 -0.078405267    1.0304709    1.0193906 
     7400   0.34577559            0  -0.01985432    1.0193906    1.0083102 
     7500    0.3498641            0  0.052289439    1.0526316    1.0083102 
     7600   0.33773715            0  0.092939035    1.0083102    1.0193906 
-    7700   0.33093497            0   0.11924405    1.0193906    1.0083102 
+    7700   0.33093497            0   0.11924405    1.0304709    1.0083102 
     7800   0.31435814            0   0.12701724    1.0083102    1.0304709 
-    7900   0.33132217            0   0.10793075    1.0193906    1.0083102 
-    8000   0.33451798            0  0.077993125    1.0304709    1.0083102 
-    8100   0.35188371            0  0.019929977    1.0193906    1.0193906 
+    7900   0.33132217            0   0.10793075    1.0083102    1.0083102 
+    8000   0.33451798            0  0.077993125    1.0304709    1.0193906 
+    8100   0.35188371            0  0.019929977    1.0193906    1.0083102 
     8200   0.33645742            0 -0.039302079    1.0193906    1.0193906 
-    8300    0.3415632            0 -0.098067982    1.0304709    1.0083102 
-    8400   0.30619282            0  -0.12952879    1.0193906    1.0193906 
+    8300    0.3415632            0 -0.098067982    1.0193906    1.0083102 
+    8400   0.30619282            0  -0.12952879    1.0304709    1.0193906 
     8500   0.34446484            0 -0.098084709    1.0083102    1.0083102 
     8600   0.33761673            0  -0.07069818    1.0193906    1.0083102 
-    8700   0.34495452            0 -0.022458056    1.0193906    1.0193906 
-    8800   0.33502983            0  0.027742411    1.0304709    1.0083102 
-    8900   0.35418591            0  0.092390134    1.0083102    1.0083102 
+    8700   0.34495452            0 -0.022458056    1.0193906    1.0083102 
+    8800   0.33502983            0  0.027742411    1.0193906    1.0083102 
+    8900   0.35418591            0  0.092390134    1.0083102    1.0193906 
     9000   0.31648387            0   0.12467398    1.0193906    1.0083102 
-    9100   0.33994825            0   0.14460327    1.0193906    1.0193906 
+    9100   0.33994825            0   0.14460327    1.0193906    1.0083102 
     9200   0.33822571            0   0.11273284    1.0193906    1.0083102 
     9300   0.33260773            0  0.060063671    1.0083102    1.0193906 
     9400   0.36140305            0  0.021427642    1.0193906    1.0083102 
@@ -192,78 +209,78 @@ Step Temp E_pair Press f_10[3] f_10
     9700   0.32088235            0  -0.12027075    1.0193906    1.0083102 
     9800    0.3320823            0  -0.11602794    1.0415512    1.0083102 
     9900   0.33916442            0 -0.080281044    1.0083102    1.0083102 
-   10000   0.34852268            0  -0.01000914    1.0193906    1.0193906 
+   10000   0.34852268            0  -0.01000914    1.0193906    1.0083102 
    10100   0.32955942            0   0.04258493    1.0083102    1.0083102 
    10200   0.34487898            0  0.086971308    1.0304709    1.0083102 
-   10300   0.32325593            0   0.11558149    1.0304709    1.0083102 
-   10400   0.30927871            0   0.12239437    1.0083102    1.0193906 
+   10300   0.32325593            0   0.11558149    1.0304709    1.0193906 
+   10400   0.30927871            0   0.12239437    1.0083102    1.0083102 
    10500   0.33176799            0   0.12285937    1.0193906    1.0083102 
-   10600   0.35120027            0  0.084897432    1.0083102    1.0083102 
+   10600   0.35120027            0  0.084897432    1.0415512    1.0083102 
    10700   0.33129697            0 0.0053089279    1.0193906    1.0193906 
    10800   0.36028769            0  -0.04280715    1.0193906    1.0083102 
-   10900   0.35552287            0 -0.084955999    1.0193906    1.0304709 
+   10900   0.35552287            0 -0.084955999    1.0193906    1.0193906 
    11000    0.3406024            0 -0.096554577    1.0083102    1.0083102 
-   11100   0.33041202            0  -0.10703492    1.0304709    1.0083102 
-   11200   0.32442686            0 -0.084328121    1.0304709    1.0083102 
-   11300   0.35952468            0 -0.020191965    1.0304709    1.0193906 
-   11400   0.34610624            0   0.03440148    1.0193906    1.0083102 
-   11500    0.3415612            0    0.1041929    1.0193906    1.0193906 
-   11600   0.34040042            0   0.13215705    1.0304709    1.0193906 
-   11700   0.33555094            0   0.12738686    1.0083102    1.0304709 
-   11800    0.3458647            0   0.10963398    1.0193906    1.0193906 
+   11100   0.33041202            0  -0.10703492    1.0304709    1.0193906 
+   11200   0.32442686            0 -0.084328121    1.0304709    1.0193906 
+   11300   0.35952468            0 -0.020191965    1.0304709    1.0083102 
+   11400   0.34610624            0   0.03440148    1.0193906    1.0193906 
+   11500    0.3415612            0    0.1041929    1.0193906    1.0083102 
+   11600   0.34040042            0   0.13215705    1.0304709    1.0083102 
+   11700   0.33555094            0   0.12738686    1.0415512    1.0193906 
+   11800    0.3458647            0   0.10963398    1.0083102    1.0193906 
    11900   0.33836678            0  0.067253864    1.0193906    1.0193906 
    12000   0.34853314            0   0.03201448    1.0193906    1.0083102 
-   12100   0.34600048            0 -0.034833402    1.0304709    1.0083102 
+   12100   0.34600048            0 -0.034833402    1.0304709    1.0193906 
    12200   0.33145631            0  -0.09865675    1.0193906    1.0193906 
-   12300   0.32848884            0   -0.1248489    1.0193906    1.0193906 
+   12300   0.32848884            0   -0.1248489    1.0193906    1.0083102 
    12400    0.3321344            0  -0.11266575    1.0083102    1.0083102 
    12500   0.32622305            0 -0.061634993    1.0304709    1.0083102 
    12600   0.36213537            0 -0.0090593315    1.0526316    1.0083102 
    12700   0.34673866            0  0.036734645    1.0193906    1.0083102 
    12800   0.34606618            0  0.086267678    1.0193906    1.0083102 
-   12900   0.34271431            0   0.12415522    1.0304709    1.0083102 
+   12900   0.34271431            0   0.12415522    1.0193906    1.0083102 
    13000   0.31993287            0   0.13879926    1.0193906    1.0193906 
    13100    0.3422918            0   0.11978905    1.0083102    1.0083102 
-   13200   0.33055236            0  0.062620483    1.0193906    1.0083102 
-   13300   0.34652207            0 0.0043833459    1.0304709    1.0193906 
-   13400   0.33574661            0  -0.04691024    1.0304709    1.0193906 
-   13500   0.33940837            0 -0.074241604    1.0304709    1.0193906 
+   13200   0.33055236            0  0.062620483    1.0083102    1.0083102 
+   13300   0.34652207            0 0.0043833459    1.0304709    1.0083102 
+   13400   0.33574661            0  -0.04691024    1.0304709    1.0083102 
+   13500   0.33940837            0 -0.074241604    1.0304709    1.0083102 
    13600   0.32093414            0   -0.1078027    1.0193906    1.0083102 
    13700   0.34336597            0  -0.10544097    1.0193906    1.0083102 
    13800   0.35806461            0 -0.072531559    1.0193906    1.0083102 
-   13900   0.35209713            0 -0.018851408    1.0083102    1.0083102 
+   13900   0.35209713            0 -0.018851408    1.0193906    1.0083102 
    14000   0.35702629            0  0.061046366    1.0083102    1.0083102 
    14100   0.33234093            0  0.094086465    1.0083102    1.0083102 
-   14200    0.3459466            0   0.12186656    1.0193906    1.0083102 
+   14200    0.3459466            0   0.12186656    1.0193906    1.0193906 
    14300    0.3327428            0   0.11396572    1.0193906    1.0083102 
    14400   0.32409443            0   0.10658903    1.0193906    1.0193906 
-   14500   0.35022184            0  0.083558031    1.0083102    1.0193906 
-   14600   0.34823843            0  0.024605569    1.0083102    1.0083102 
+   14500   0.35022184            0  0.083558031    1.0083102    1.0083102 
+   14600   0.34823843            0  0.024605569    1.0083102    1.0193906 
    14700   0.35298973            0 -0.040418888    1.0193906    1.0083102 
    14800   0.33679845            0  -0.10067728    1.0193906    1.0083102 
-   14900   0.32790966            0  -0.10925568    1.0193906    1.0083102 
+   14900   0.32790966            0  -0.10925568    1.0193906    1.0193906 
    15000   0.34208495            0  -0.09568004    1.0193906    1.0083102 
    15100   0.33647529            0 -0.055652929    1.0083102    1.0083102 
-   15200   0.35328398            0 -0.020236536    1.0193906    1.0193906 
-   15300   0.34252669            0  0.026434179    1.0083102    1.0193906 
+   15200   0.35328398            0 -0.020236536    1.0415512    1.0193906 
+   15300   0.34252669            0  0.026434179    1.0304709    1.0083102 
    15400   0.34409435            0  0.094410599    1.0304709    1.0083102 
-   15500   0.32288994            0   0.12034455    1.0415512    1.0083102 
+   15500   0.32288994            0   0.12034455    1.0304709    1.0193906 
    15600   0.32109689            0   0.13645185    1.0193906    1.0083102 
-   15700   0.33681572            0  0.098607746    1.0415512    1.0083102 
-   15800   0.33635195            0   0.05570715    1.0193906    1.0193906 
-   15900   0.34289757            0  0.013849092    1.0304709    1.0193906 
+   15700   0.33681572            0  0.098607746    1.0415512    1.0193906 
+   15800   0.33635195            0   0.05570715    1.0193906    1.0083102 
+   15900   0.34289757            0  0.013849092    1.0304709    1.0083102 
    16000   0.34225547            0 -0.035597548    1.0304709    1.0083102 
    16100   0.33660991            0 -0.076931881    1.0193906    1.0193906 
-   16200   0.32802152            0  -0.12765884    1.0083102    1.0083102 
+   16200   0.32802152            0  -0.12765884    1.0083102    1.0193906 
    16300    0.3469374            0  -0.10785455    1.0083102    1.0083102 
    16400   0.34053641            0 -0.070259853    1.0193906    1.0083102 
-   16500   0.34610591            0 -0.014315306    1.0193906    1.0083102 
+   16500   0.34610591            0 -0.014315306    1.0193906    1.0193906 
    16600   0.35109001            0  0.041251169    1.0304709    1.0083102 
    16700   0.34336905            0  0.077996627    1.0193906    1.0083102 
    16800   0.33277414            0   0.11053634    1.0083102    1.0083102 
    16900   0.32183338            0   0.11680626    1.0193906    1.0083102 
    17000   0.34044352            0   0.10806555    1.0193906    1.0083102 
-   17100   0.32967873            0  0.067759786    1.0304709    1.0193906 
+   17100   0.32967873            0  0.067759786    1.0193906    1.0193906 
    17200   0.36172278            0 -0.0048631904    1.0304709    1.0083102 
    17300   0.35619435            0  -0.04215545    1.0193906    1.0083102 
    17400   0.34540936            0 -0.093994174    1.0193906    1.0083102 
@@ -271,13 +288,13 @@ Step Temp E_pair Press f_10[3] f_10
    17600    0.3544756            0 -0.085660403    1.0193906    1.0083102 
    17700   0.34505209            0 -0.069640515    1.0304709    1.0193906 
    17800   0.36291124            0 -0.0063088133    1.0083102    1.0193906 
-   17900   0.34255705            0  0.046794555    1.0304709    1.0083102 
+   17900   0.34255705            0  0.046794555    1.0304709    1.0193906 
    18000   0.34163238            0   0.11767705    1.0193906    1.0193906 
    18100    0.3466445            0    0.1351712    1.0415512    1.0193906 
    18200   0.33037668            0   0.12703659    1.0083102    1.0083102 
    18300   0.33677404            0   0.10956306    1.0083102    1.0304709 
    18400   0.34978954            0  0.087193072    1.0193906    1.0193906 
-   18500   0.33354363            0  0.051095814    1.0526316    1.0083102 
+   18500   0.33354363            0  0.051095814    1.0526316    1.0193906 
    18600   0.34651729            0 0.0056245561    1.0304709    1.0193906 
    18700   0.32622232            0 -0.047319269    1.0083102    1.0193906 
    18800   0.32978847            0 -0.054929416    1.0304709    1.0193906 
@@ -298,12 +315,12 @@ Step Temp E_pair Press f_10[3] f_10
    20300   0.34195438            0  0.072811099    1.0304709    1.0193906 
    20400   0.31249563            0   0.10063541    1.0415512    1.0083102 
    20500   0.31544938            0    0.1405794    1.0083102    1.0083102 
-   20600   0.30071644            0   0.12763486    1.0193906    1.0304709 
+   20600   0.30071644            0   0.12763486    1.0193906    1.0193906 
    20700    0.2890265            0    0.1136651    1.0083102    1.0083102 
    20800   0.28962296            0  0.094481978    1.0193906    1.0083102 
    20900   0.29447212            0    0.0967165    1.0193906    1.0193906 
    21000   0.31159961            0  0.067307231    1.0083102    1.0083102 
-   21100   0.30490648            0  0.017689358    1.0083102    1.0193906 
+   21100   0.30490648            0  0.017689358    1.0083102    1.0304709 
    21200   0.30687262            0 -0.016055512    1.0193906    1.0193906 
    21300   0.30083286            0 -0.0014988997    1.0193906    1.0083102 
    21400   0.32070426            0  0.015960302    1.0083102    1.0083102 
@@ -316,7 +333,7 @@ Step Temp E_pair Press f_10[3] f_10
    22100   0.34857705            0  0.032731746    1.0193906    1.0083102 
    22200   0.34750227            0 0.0056917695    1.0193906    1.0083102 
    22300   0.34766017            0 -0.0027090483    1.0193906    1.0083102 
-   22400   0.33426062            0 -0.023196063    1.0304709    1.0193906 
+   22400   0.33426062            0 -0.023196063    1.0304709    1.0083102 
    22500   0.34174625            0 -0.025019717    1.0083102    1.0083102 
    22600    0.3356145            0 -0.029707418    1.0304709    1.0193906 
    22700    0.3362653            0 -0.035815733    1.0193906    1.0193906 
@@ -328,13 +345,13 @@ Step Temp E_pair Press f_10[3] f_10
    23300   0.32965664            0  0.035989589    1.0193906    1.0083102 
    23400   0.30927749            0  0.024581106    1.0193906    1.0083102 
    23500   0.32890632            0   0.01092479    1.0304709    1.0193906 
-   23600   0.34137438            0 0.0094839745    1.0193906    1.0083102 
+   23600   0.34137438            0 0.0094839745    1.0193906    1.0193906 
    23700   0.34512638            0 -0.012392771    1.0304709    1.0193906 
-   23800   0.31781354            0 -0.012908449    1.0193906    1.0193906 
+   23800   0.31781354            0 -0.012908449    1.0193906    1.0083102 
    23900   0.32405513            0 -0.015018071    1.0415512    1.0193906 
    24000   0.33549728            0 -0.012812915    1.0193906    1.0193906 
-   24100   0.31368736            0 -0.020818372    1.0304709    1.0193906 
-   24200   0.33533836            0 0.0056121057    1.0083102    1.0083102 
+   24100   0.31368736            0 -0.020818372    1.0083102    1.0083102 
+   24200   0.33533836            0 0.0056121057    1.0304709    1.0193906 
    24300   0.32530627            0  0.018183931    1.0415512    1.0083102 
    24400   0.31930662            0  0.027446878    1.0083102    1.0193906 
    24500   0.33540302            0  0.040307455    1.0304709    1.0083102 
@@ -344,14 +361,14 @@ Step Temp E_pair Press f_10[3] f_10
    24900   0.34727253            0   0.01670543    1.0193906    1.0083102 
    25000   0.35120105            0 0.0038617562    1.0193906    1.0083102 
    25100   0.32706871            0 -0.021196623    1.0415512    1.0193906 
-   25200   0.32915282            0 -0.017146508    1.0193906    1.0083102 
-   25300   0.32577518            0  -0.01312495    1.0193906    1.0304709 
-   25400   0.33286855            0 0.0014726193    1.0193906    1.0193906 
+   25200   0.32915282            0 -0.017146508    1.0083102    1.0193906 
+   25300   0.32577518            0  -0.01312495    1.0193906    1.0083102 
+   25400   0.33286855            0 0.0014726193    1.0415512    1.0193906 
    25500   0.33002601            0 0.0080974022    1.0193906    1.0083102 
    25600   0.34127655            0  0.014296091    1.0526316    1.0083102 
-   25700   0.34048065            0  0.022513032    1.0193906    1.0193906 
-   25800   0.33029079            0  0.038733531    1.0193906    1.0083102 
-   25900   0.33031324            0  0.026156982    1.0304709    1.0193906 
+   25700   0.34048065            0  0.022513032    1.0193906    1.0083102 
+   25800   0.33029079            0  0.038733531    1.0526316    1.0083102 
+   25900   0.33031324            0  0.026156982    1.0083102    1.0193906 
    26000   0.32967371            0  0.028727383    1.0083102    1.0193906 
    26100   0.33775718            0  0.015607478    1.0083102    1.0193906 
    26200   0.35097144            0  0.012291703    1.0083102    1.0083102 
@@ -360,20 +377,20 @@ Step Temp E_pair Press f_10[3] f_10
    26500   0.33580127            0 -0.0074168555    1.0193906    1.0193906 
    26600   0.33063188            0 -0.020378601    1.0083102    1.0193906 
    26700   0.33581846            0 -0.00084397268    1.0083102    1.0193906 
-   26800   0.32998532            0  0.015932208    1.0304709    1.0304709 
+   26800   0.32998532            0  0.015932208    1.0304709    1.0193906 
    26900   0.33825444            0  0.010428603    1.0304709    1.0083102 
-   27000   0.32081518            0  0.019818223    1.0304709    1.0193906 
+   27000   0.32081518            0  0.019818223    1.0415512    1.0193906 
    27100   0.31448098            0  0.020093416    1.0193906    1.0083102 
-   27200   0.32643684            0  0.021934917    1.0083102    1.0083102 
+   27200   0.32643684            0  0.021934917    1.0193906    1.0083102 
    27300   0.33289466            0  0.023713072    1.0415512    1.0083102 
    27400   0.32310744            0  0.024110945    1.0415512    1.0083102 
-   27500   0.33115619            0 0.0025776713    1.0304709    1.0083102 
-   27600   0.33295887            0 -0.010710764    1.0304709    1.0193906 
-   27700   0.32968876            0 -0.0064595905    1.0193906    1.0083102 
+   27500   0.33115619            0 0.0025776713    1.0304709    1.0193906 
+   27600   0.33295887            0 -0.010710764    1.0193906    1.0193906 
+   27700   0.32968876            0 -0.0064595905    1.0193906    1.0193906 
    27800   0.34064581            0 -0.0086519116    1.0193906    1.0083102 
-   27900   0.33559187            0 -0.0055753593    1.0083102    1.0083102 
+   27900   0.33559187            0 -0.0055753593    1.0526316    1.0083102 
    28000   0.32300727            0 -0.0004153384    1.0304709    1.0083102 
-   28100   0.32147461            0 -0.0058543412    1.0083102    1.0193906 
+   28100   0.32147461            0 -0.0058543412    1.0083102    1.0083102 
    28200   0.35532383            0  0.013646951    1.0304709    1.0083102 
    28300   0.31507942            0  0.026532255    1.0415512    1.0193906 
    28400   0.32711006            0  0.033214981    1.0193906    1.0083102 
@@ -396,66 +413,66 @@ Step Temp E_pair Press f_10[3] f_10
    30100   0.32598657            0 -0.0018860541    1.0415512    1.0193906 
    30200   0.34855815            0 0.0017983372    1.0083102    1.0083102 
    30300   0.33375921            0 0.0010991235    1.0083102    1.0193906 
-   30400   0.35008944            0 -0.0027316177    1.0415512    1.0083102 
+   30400   0.35008944            0 -0.0027316177    1.0193906    1.0083102 
    30500   0.33279729            0 -0.0035788551    1.0193906    1.0193906 
    30600   0.33868746            0 -0.0016249482    1.0083102    1.0193906 
    30700   0.33597034            0 -0.0014524001    1.0193906    1.0193906 
-   30800    0.3227257            0  0.016353457    1.0415512    1.0193906 
+   30800    0.3227257            0  0.016353457    1.0193906    1.0193906 
    30900   0.32676516            0  0.027396654    1.0193906    1.0083102 
    31000   0.34083982            0  0.031606413    1.0415512    1.0193906 
-   31100   0.32165238            0  0.013583368    1.0193906    1.0083102 
-   31200    0.3428492            0  0.020486611    1.0304709    1.0193906 
+   31100   0.32165238            0  0.013583368    1.0083102    1.0083102 
+   31200    0.3428492            0  0.020486611    1.0304709    1.0083102 
    31300   0.32372541            0   0.01215566    1.0083102    1.0083102 
    31400   0.32734692            0  0.016229397    1.0083102    1.0083102 
    31500   0.33089262            0 0.0060426618    1.0083102    1.0083102 
    31600   0.34273493            0 -0.013456537    1.0083102    1.0193906 
-   31700   0.32723905            0 -0.019243766    1.0193906    1.0193906 
+   31700   0.32723905            0 -0.019243766    1.0193906    1.0083102 
    31800   0.33636488            0 0.0027814902    1.0083102    1.0083102 
-   31900   0.32834805            0   0.00706877    1.0083102    1.0083102 
+   31900   0.32834805            0   0.00706877    1.0083102    1.0193906 
    32000   0.33995148            0 0.0018383309    1.0193906    1.0193906 
    32100   0.33412282            0 0.0076455933    1.0083102    1.0083102 
    32200   0.34334884            0  0.023586129    1.0083102    1.0083102 
    32300   0.32778925            0  0.020564321    1.0193906    1.0083102 
    32400   0.33163443            0  0.038878463    1.0193906    1.0083102 
-   32500   0.32290345            0  0.022247461    1.0193906    1.0193906 
-   32600   0.34113954            0  0.010966365    1.0304709    1.0083102 
+   32500   0.32290345            0  0.022247461    1.0193906    1.0083102 
+   32600   0.34113954            0  0.010966365    1.0304709    1.0193906 
    32700   0.33390633            0 0.0037777555    1.0193906    1.0083102 
    32800   0.34385341            0  0.010556575    1.0193906    1.0193906 
-   32900   0.32137047            0 0.00022027143    1.0526316    1.0193906 
-   33000   0.32079172            0 -0.017261272    1.0193906    1.0193906 
+   32900   0.32137047            0 0.00022027143    1.0304709    1.0193906 
+   33000   0.32079172            0 -0.017261272    1.0193906    1.0083102 
    33100   0.33570882            0 -0.0051942206    1.0083102    1.0083102 
-   33200   0.34320894            0 -0.011515281    1.0304709    1.0193906 
-   33300   0.32794746            0 -0.0018153673    1.0083102    1.0083102 
+   33200   0.34320894            0 -0.011515281    1.0193906    1.0083102 
+   33300   0.32794746            0 -0.0018153673    1.0083102    1.0193906 
    33400   0.33060982            0  0.027118146    1.0193906    1.0083102 
-   33500   0.33641809            0   0.02143035    1.0083102    1.0083102 
-   33600   0.33643061            0  0.020833068    1.0193906    1.0083102 
+   33500   0.33641809            0   0.02143035    1.0083102    1.0193906 
+   33600   0.33643061            0  0.020833068    1.0304709    1.0083102 
    33700    0.3485949            0  0.030918751    1.0193906    1.0083102 
    33800    0.3283985            0   0.01947613    1.0193906    1.0083102 
-   33900   0.31959761            0  0.021128147    1.0083102    1.0193906 
+   33900   0.31959761            0  0.021128147    1.0083102    1.0304709 
    34000   0.33897984            0  0.015270986    1.0193906    1.0083102 
    34100   0.32392267            0 0.0020130852    1.0304709    1.0193906 
-   34200   0.33084514            0 -0.024316708    1.0193906    1.0083102 
+   34200   0.33084514            0 -0.024316708    1.0193906    1.0193906 
    34300    0.3342259            0 -0.0059047764    1.0193906    1.0304709 
    34400   0.33385098            0 0.0063818721    1.0193906    1.0083102 
    34500   0.33255603            0  -0.01023837    1.0083102    1.0304709 
    34600   0.34766173            0 0.0056703013    1.0193906    1.0083102 
-   34700     0.339822            0 0.0061648559    1.0083102    1.0193906 
+   34700     0.339822            0 0.0061648559    1.0193906    1.0193906 
    34800   0.33902329            0  0.030037037    1.0415512    1.0193906 
-   34900    0.3216153            0  0.027996689    1.0304709    1.0083102 
-   35000   0.32701056            0  0.024778517    1.0193906    1.0193906 
-   35100    0.3124942            0  0.011316548    1.0193906    1.0193906 
-   35200   0.34486416            0  0.011670127    1.0193906    1.0193906 
+   34900    0.3216153            0  0.027996689    1.0083102    1.0083102 
+   35000   0.32701056            0  0.024778517    1.0193906    1.0083102 
+   35100    0.3124942            0  0.011316548    1.0304709    1.0193906 
+   35200   0.34486416            0  0.011670127    1.0083102    1.0083102 
    35300   0.33275353            0  0.020491246    1.0193906    1.0193906 
    35400   0.33618763            0  0.014678874    1.0083102    1.0083102 
    35500   0.32352282            0 -0.018568683    1.0193906    1.0193906 
-   35600   0.32617903            0 -0.012796912    1.0193906    1.0193906 
-   35700   0.32378048            0 -0.021318585    1.0193906    1.0083102 
+   35600   0.32617903            0 -0.012796912    1.0193906    1.0304709 
+   35700   0.32378048            0 -0.021318585    1.0193906    1.0193906 
    35800    0.3371086            0 -0.0023678632    1.0193906    1.0193906 
    35900   0.33818476            0  0.011197742    1.0193906    1.0083102 
    36000   0.35142144            0  0.022520935    1.0083102    1.0193906 
    36100   0.35147297            0  0.020277852    1.0193906    1.0083102 
-   36200   0.33489465            0  0.014564878    1.0415512    1.0083102 
-   36300   0.33841515            0  0.036439962    1.0193906    1.0193906 
+   36200   0.33489465            0  0.014564878    1.0415512    1.0193906 
+   36300   0.33841515            0  0.036439962    1.0193906    1.0083102 
    36400   0.32301096            0  0.019966746    1.0304709    1.0083102 
    36500   0.35612028            0  0.036509556    1.0083102    1.0083102 
    36600   0.33841597            0 -0.0042180605    1.0193906    1.0193906 
@@ -464,9 +481,9 @@ Step Temp E_pair Press f_10[3] f_10
    36900   0.35003816            0 -0.0021184393    1.0083102    1.0083102 
    37000   0.32965041            0 -0.020900951    1.0193906    1.0083102 
    37100   0.34653095            0 -0.013667977    1.0193906    1.0083102 
-   37200   0.35019871            0 -0.0071740923    1.0083102    1.0193906 
+   37200   0.35019871            0 -0.0071740923    1.0193906    1.0304709 
    37300   0.34859745            0   0.02006041    1.0304709    1.0083102 
-   37400   0.35739859            0  0.020892822    1.0193906    1.0083102 
+   37400   0.35739859            0  0.020892822    1.0304709    1.0083102 
    37500   0.34128859            0  0.041072111    1.0193906    1.0193906 
    37600   0.33781905            0  0.023376738    1.0193906    1.0083102 
    37700   0.32961874            0  0.030953741    1.0193906    1.0083102 
@@ -493,21 +510,21 @@ Step Temp E_pair Press f_10[3] f_10
    39800   0.34878036            0 0.0092881327    1.0083102    1.0193906 
    39900   0.35225411            0 -0.011341599    1.0083102    1.0193906 
    40000   0.36309266            0 0.0050869295    1.0304709    1.0083102 
-Loop time of 1.17534 on 4 procs for 40000 steps with 361 atoms
+Loop time of 1.12306 on 4 procs for 40000 steps with 361 atoms
 
-Performance: 14702186.196 tau/day, 34032.838 timesteps/s
-99.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 15386559.518 tau/day, 35617.036 timesteps/s
+90.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.019205   | 0.020313   | 0.022204   |   0.8 |  1.73
-Bond    | 0.21255    | 0.23651    | 0.26839    |   4.9 | 20.12
-Neigh   | 0.16301    | 0.16427    | 0.16578    |   0.3 | 13.98
-Comm    | 0.33528    | 0.37951    | 0.4139     |   5.3 | 32.29
-Output  | 0.0084457  | 0.0089972  | 0.010254   |   0.8 |  0.77
-Modify  | 0.15906    | 0.16078    | 0.16308    |   0.4 | 13.68
-Other   |            | 0.205      |            |       | 17.44
+Pair    | 0.023094   | 0.023348   | 0.023582   |   0.1 |  2.08
+Bond    | 0.17827    | 0.19268    | 0.21984    |   3.7 | 17.16
+Neigh   | 0.18144    | 0.18231    | 0.18323    |   0.1 | 16.23
+Comm    | 0.23759    | 0.28095    | 0.30794    |   5.0 | 25.02
+Output  | 0.0062952  | 0.013342   | 0.034226   |  10.4 |  1.19
+Modify  | 0.2379     | 0.24327    | 0.25076    |   0.9 | 21.66
+Other   |            | 0.1871     |            |       | 16.66
 
 Nlocal:    90.25 ave 91 max 89 min
 Histogram: 1 0 0 0 0 1 0 0 0 2
diff --git a/examples/balance/log.27Nov18.balance.clock.dynamic.g++.2 b/examples/balance/log.27Nov18.balance.clock.dynamic.g++.2
new file mode 100644
index 0000000000..781a609bd2
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.clock.dynamic.g++.2
@@ -0,0 +1,227 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000549078 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 10 1.0                 weight time 1.0 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.562 | 4.753 | 4.944 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873    4738.2137 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976    4738.2137 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+Loop time of 3.7099 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 58222.644 tau/day, 134.775 timesteps/s
+99.2% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5145     | 2.5951     | 2.6756     |   5.0 | 69.95
+Neigh   | 0.8388     | 0.88634    | 0.93387    |   5.0 | 23.89
+Comm    | 0.17027    | 0.20258    | 0.23489    |   7.2 |  5.46
+Output  | 0.00029612 | 0.00032723 | 0.00035834 |   0.0 |  0.01
+Modify  | 0.016136   | 0.017057   | 0.017979   |   0.7 |  0.46
+Other   |            | 0.008504   |            |       |  0.23
+
+Nlocal:    2000 ave 2157 max 1843 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10465.5 ave 10840 max 10091 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298070 ave 305706 max 290433 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596139
+Ave neighs/atom = 149.035
+Neighbor list builds = 51
+Dangerous builds = 0
+run		500
+Per MPI rank memory allocation (min/avg/max) = 4.944 | 4.947 | 4.951 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236    4738.2137 
+     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637    4738.2137 
+     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342    4738.2137 
+     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108    4738.2137 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523    4738.2137 
+     800    0.5520987   -6.2739184            0   -5.4459774   -2.0084991    4738.2137 
+     850   0.54963958   -6.2702473            0    -5.445994   -1.9740031    4738.2137 
+     900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871    4738.2137 
+     950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417    4738.2137 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+Loop time of 3.70634 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 58278.514 tau/day, 134.904 timesteps/s
+99.0% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5536     | 2.6173     | 2.6811     |   3.9 | 70.62
+Neigh   | 0.82942    | 0.88683    | 0.94424    |   6.1 | 23.93
+Comm    | 0.16927    | 0.17474    | 0.1802     |   1.3 |  4.71
+Output  | 0.00030422 | 0.00033307 | 0.00036192 |   0.0 |  0.01
+Modify  | 0.016714   | 0.017824   | 0.018933   |   0.8 |  0.48
+Other   |            | 0.009277   |            |       |  0.25
+
+Nlocal:    2000 ave 2136 max 1864 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10413.5 ave 10877 max 9950 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    300836 ave 312313 max 289358 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 601671
+Ave neighs/atom = 150.418
+Neighbor list builds = 51
+Dangerous builds = 0
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.5 weight time 0.66 weight store WEIGHT
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.951 | 5.142 | 5.334 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+    1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895    4738.2137 
+    1100   0.54325667   -6.2612166            0   -5.4465353   -1.8870463    4738.2137 
+    1150   0.55057583   -6.2719187            0   -5.4462614   -1.9575881    4738.2137 
+    1200   0.53728175    -6.251744            0   -5.4460228   -1.8124097    4738.2137 
+    1250   0.54077561   -6.2567544            0   -5.4457938   -1.8418133    4738.2137 
+    1300   0.54430333    -6.260995            0   -5.4447442    -1.856351    4738.2137 
+    1350   0.55097839   -6.2715909            0   -5.4453299   -1.9014337    4738.2137 
+    1400   0.53858139   -6.2526781            0    -5.445008   -1.7965773    4738.2137 
+    1450    0.5421844   -6.2574683            0    -5.444395   -1.7901189    4738.2137 
+    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000344    4738.2137 
+Loop time of 4.8272 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 44746.478 tau/day, 103.580 timesteps/s
+98.5% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.9951     | 2.6814     | 3.3676     |  41.9 | 55.55
+Neigh   | 0.82826    | 0.90961    | 0.99095    |   8.5 | 18.84
+Comm    | 0.44043    | 1.2083     | 1.9762     |  69.9 | 25.03
+Output  | 0.00034881 | 0.0003655  | 0.00038218 |   0.0 |  0.01
+Modify  | 0.016762   | 0.01755    | 0.018337   |   0.6 |  0.36
+Other   |            | 0.01001    |            |       |  0.21
+
+Nlocal:    2000 ave 2564 max 1436 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10334 ave 10752 max 9916 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    302958 ave 499873 max 106044 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 605917
+Ave neighs/atom = 151.479
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.955 | 5.336 | 5.717 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000344    4738.2137 
+    1550   0.53713591   -6.2504068            0   -5.4449044   -1.7647087    4738.2137 
+    1600    0.5467956   -6.2646482            0   -5.4446599   -1.8115778    4738.2137 
+    1650   0.53806575   -6.2519004            0   -5.4450036   -1.7409135    4738.2137 
+    1700    0.5347949   -6.2468958            0    -5.444904   -1.7162322    4738.2137 
+    1750   0.53714528   -6.2506529            0   -5.4451365   -1.7340402    4738.2137 
+    1800    0.5274989   -6.2358675            0    -5.444817   -1.6874989    4738.2137 
+    1850   0.54585906   -6.2629475            0   -5.4443636   -1.7758918    4738.2137 
+    1900    0.5301071   -6.2387551            0   -5.4437932   -1.6381903    4738.2137 
+    1950   0.54288149   -6.2582818            0   -5.4441632   -1.7367819    4738.2137 
+    2000   0.52766162   -6.2348587            0   -5.4435642   -1.5589151    4738.2137 
+Loop time of 4.90351 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 44050.062 tau/day, 101.968 timesteps/s
+98.1% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.9937     | 2.6502     | 3.3067     |  40.3 | 54.05
+Neigh   | 0.81645    | 0.88655    | 0.95664    |   7.4 | 18.08
+Comm    | 0.61197    | 1.3389     | 2.0659     |  62.8 | 27.31
+Output  | 0.00036287 | 0.0003773  | 0.00039172 |   0.0 |  0.01
+Modify  | 0.016585   | 0.017429   | 0.018274   |   0.6 |  0.36
+Other   |            | 0.01003    |            |       |  0.20
+
+Nlocal:    2000 ave 2564 max 1436 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10256 ave 10620 max 9892 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    303988 ave 502064 max 105911 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 607975
+Ave neighs/atom = 151.994
+Neighbor list builds = 51
+Dangerous builds = 0
+Total wall time: 0:00:17
diff --git a/examples/balance/log.5Oct16.balance.clock.dynamic.g++.4 b/examples/balance/log.27Nov18.balance.clock.dynamic.g++.4
similarity index 57%
rename from examples/balance/log.5Oct16.balance.clock.dynamic.g++.4
rename to examples/balance/log.27Nov18.balance.clock.dynamic.g++.4
index f9b5f55ea2..94780b14df 100644
--- a/examples/balance/log.5Oct16.balance.clock.dynamic.g++.4
+++ b/examples/balance/log.27Nov18.balance.clock.dynamic.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000421762 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -51,13 +53,18 @@ fix		1 all nve
 thermo		50
 run		500
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-Memory usage per processor = 3.0442 Mbytes
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.691 | 4.072 | 4.454 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
@@ -70,34 +77,34 @@ Step Temp E_pair E_mol TotEng Press Volume
      400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
      450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 2.33547 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.69458 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 92486.710 tau/day, 214.090 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 80160.913 tau/day, 185.558 timesteps/s
+94.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1405     | 1.4342     | 1.6755     |  19.8 | 61.41
-Neigh   | 0.26612    | 0.40331    | 0.57095    |  21.3 | 17.27
-Comm    | 0.3676     | 0.47776    | 0.60114    |  14.4 | 20.46
-Output  | 0.00025606 | 0.00029331 | 0.00032091 |   0.1 |  0.01
-Modify  | 0.0068483  | 0.008993   | 0.012159   |   2.3 |  0.39
-Other   |            | 0.01091    |            |       |  0.47
+Pair    | 1.0903     | 1.4509     | 1.7199     |  22.5 | 53.84
+Neigh   | 0.31688    | 0.47906    | 0.71852    |  24.2 | 17.78
+Comm    | 0.60463    | 0.72402    | 0.84257    |  12.7 | 26.87
+Output  | 0.00035119 | 0.00067121 | 0.0015202  |   0.0 |  0.02
+Modify  | 0.00811    | 0.010936   | 0.014029   |   2.7 |  0.41
+Other   |            | 0.02904    |            |       |  1.08
 
-Nlocal:    1000 ave 1541 max 597 min
+Nlocal:    1000 ave 1504 max 634 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8756.5 ave 9859 max 8068 min
+Nghost:    8759.25 ave 9896 max 8021 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149308 ave 164475 max 126288 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    149308 ave 179946 max 116419 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
 
 Total # of neighbors = 597231
 Ave neighs/atom = 149.308
 Neighbor list builds = 50
 Dangerous builds = 0
 run		500
-Memory usage per processor = 3.06519 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.097 | 4.288 | 4.475 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
      550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834    4738.2137 
@@ -110,27 +117,27 @@ Step Temp E_pair E_mol TotEng Press Volume
      900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
      950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
-Loop time of 2.16422 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.64502 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 99804.786 tau/day, 231.030 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 81662.873 tau/day, 189.034 timesteps/s
+93.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1704     | 1.3643     | 1.5256     |  13.9 | 63.04
-Neigh   | 0.252      | 0.39989    | 0.57798    |  23.0 | 18.48
-Comm    | 0.36005    | 0.38026    | 0.399      |   2.7 | 17.57
-Output  | 0.00026989 | 0.00029516 | 0.00030947 |   0.1 |  0.01
-Modify  | 0.0062692  | 0.0085821  | 0.011907   |   2.6 |  0.40
-Other   |            | 0.01089    |            |       |  0.50
+Pair    | 1.1279     | 1.4127     | 1.6268     |  18.0 | 53.41
+Neigh   | 0.32225    | 0.49572    | 0.76053    |  26.2 | 18.74
+Comm    | 0.64504    | 0.6974     | 0.75498    |   5.7 | 26.37
+Output  | 0.00035477 | 0.00062996 | 0.001343   |   0.0 |  0.02
+Modify  | 0.0077929  | 0.010538   | 0.013856   |   2.6 |  0.40
+Other   |            | 0.02803    |            |       |  1.06
 
-Nlocal:    1000 ave 1546 max 611 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8720 ave 9802 max 8007 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150170 ave 167512 max 125941 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
+Nlocal:    1000 ave 1437 max 597 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Nghost:    8674 ave 9370 max 8013 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+Neighs:    150170 ave 187030 max 102149 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
 
 Total # of neighbors = 600678
 Ave neighs/atom = 150.169
@@ -138,7 +145,7 @@ Neighbor list builds = 53
 Dangerous builds = 0
 fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.5 weight time 0.66 weight store WEIGHT
 run             500
-Memory usage per processor = 3.04802 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.08 | 4.269 | 4.458 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
     1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
@@ -150,71 +157,71 @@ Step Temp E_pair E_mol TotEng Press Volume
     1350   0.53564389   -6.2501521            0   -5.4468871   -1.8642306    4738.2137 
     1400   0.53726924   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
     1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
-    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
-Loop time of 2.17454 on 4 procs for 500 steps with 4000 atoms
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866984    4738.2137 
+Loop time of 2.61342 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 99331.198 tau/day, 229.933 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 82650.254 tau/day, 191.320 timesteps/s
+93.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1909     | 1.3814     | 1.5474     |  12.7 | 63.53
-Neigh   | 0.24882    | 0.38781    | 0.5563     |  22.6 | 17.83
-Comm    | 0.35985    | 0.38559    | 0.4055     |   3.0 | 17.73
-Output  | 0.00030994 | 0.00033677 | 0.00035214 |   0.1 |  0.02
-Modify  | 0.0060136  | 0.008362   | 0.011491   |   2.6 |  0.38
-Other   |            | 0.01102    |            |       |  0.51
+Pair    | 1.222      | 1.4442     | 1.5812     |  12.3 | 55.26
+Neigh   | 0.29672    | 0.48201    | 0.73859    |  27.6 | 18.44
+Comm    | 0.59138    | 0.65738    | 0.70906    |   6.5 | 25.15
+Output  | 0.00036502 | 0.00091559 | 0.0020845  |   0.0 |  0.04
+Modify  | 0.0095406  | 0.012674   | 0.017643   |   2.8 |  0.48
+Other   |            | 0.01621    |            |       |  0.62
 
-Nlocal:    1000 ave 1555 max 581 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8695.5 ave 9791 max 8011 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    150494 ave 160074 max 132359 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
+Nlocal:    1000 ave 1446 max 670 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8641 ave 9376 max 8019 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs:    150494 ave 184085 max 105390 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
 
 Total # of neighbors = 601974
 Ave neighs/atom = 150.494
 Neighbor list builds = 51
 Dangerous builds = 0
 run             500
-Memory usage per processor = 3.06519 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.08 | 4.269 | 4.458 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
-    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
+    1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866984    4738.2137 
     1550   0.55327018   -6.2750125            0   -5.4453148   -1.9506585    4738.2137 
-    1600   0.54419003   -6.2612622            0   -5.4451812   -1.8559437    4738.2137 
-    1650   0.54710035   -6.2661979            0   -5.4457525   -1.8882833    4738.2137 
-    1700   0.53665692   -6.2504957            0   -5.4457116   -1.8068001    4738.2137 
-    1750   0.54864726   -6.2681127            0   -5.4453476   -1.8662658    4738.2137 
-    1800   0.54476256   -6.2615132            0   -5.4445736   -1.8352921    4738.2137 
-    1850   0.54142913   -6.2555501            0   -5.4436094   -1.8005632    4738.2137 
-    1900   0.53992543   -6.2541365            0   -5.4444509   -1.7768749    4738.2137 
-    1950   0.54666257   -6.2641014            0   -5.4443125   -1.7947215    4738.2137 
-    2000   0.54557432   -6.2625445            0   -5.4443876   -1.8072402    4738.2137 
-Loop time of 2.13804 on 4 procs for 500 steps with 4000 atoms
+    1600    0.5441901   -6.2612622            0   -5.4451811   -1.8559436    4738.2137 
+    1650   0.54710046   -6.2661938            0   -5.4457483   -1.8882766    4738.2137 
+    1700    0.5366569   -6.2504957            0   -5.4457116   -1.8067998    4738.2137 
+    1750    0.5486468   -6.2681121            0   -5.4453476   -1.8662631    4738.2137 
+    1800   0.54476176   -6.2615037            0   -5.4445653   -1.8352743    4738.2137 
+    1850    0.5414305   -6.2555519            0   -5.4436091   -1.8005747    4738.2137 
+    1900   0.53992655   -6.2541344            0    -5.444447   -1.7768718    4738.2137 
+    1950   0.54666071   -6.2640943            0   -5.4443082   -1.7947052    4738.2137 
+    2000   0.54556196   -6.2625262            0   -5.4443879   -1.8071631    4738.2137 
+Loop time of 2.81593 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 101026.937 tau/day, 233.859 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 76706.532 tau/day, 177.561 timesteps/s
+90.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.2063     | 1.3671     | 1.4849     |   9.7 | 63.94
-Neigh   | 0.25593    | 0.41674    | 0.59932    |  24.5 | 19.49
-Comm    | 0.25287    | 0.33513    | 0.39698    |   9.9 | 15.67
-Output  | 0.00024056 | 0.00026721 | 0.00028205 |   0.1 |  0.01
-Modify  | 0.0058651  | 0.0082419  | 0.011365   |   2.7 |  0.39
-Other   |            | 0.01061    |            |       |  0.50
+Pair    | 1.2508     | 1.4839     | 1.6521     |  13.4 | 52.70
+Neigh   | 0.34188    | 0.54016    | 0.82358    |  27.6 | 19.18
+Comm    | 0.70575    | 0.75254    | 0.80167    |   4.6 | 26.72
+Output  | 0.00041604 | 0.001362   | 0.0041099  |   4.3 |  0.05
+Modify  | 0.010564   | 0.013653   | 0.018      |   2.7 |  0.48
+Other   |            | 0.02432    |            |       |  0.86
 
-Nlocal:    1000 ave 1513 max 612 min
+Nlocal:    1000 ave 1555 max 569 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8685.25 ave 9861 max 7992 min
+Nghost:    8672.75 ave 9821 max 7993 min
 Histogram: 2 0 0 0 1 0 0 0 0 1
-Neighs:    151657 ave 173252 max 122114 min
-Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs:    151656 ave 164603 max 133455 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
 
-Total # of neighbors = 606628
-Ave neighs/atom = 151.657
+Total # of neighbors = 606625
+Ave neighs/atom = 151.656
 Neighbor list builds = 56
 Dangerous builds = 0
-Total wall time: 0:00:08
+Total wall time: 0:00:10
diff --git a/examples/balance/log.27Nov18.balance.clock.static.g++.2 b/examples/balance/log.27Nov18.balance.clock.static.g++.2
new file mode 100644
index 0000000000..6f96ac4fef
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.clock.static.g++.2
@@ -0,0 +1,195 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000517368 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000522375 seconds
+  iteration count = 1
+  time weight factor: 1
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Per MPI rank memory allocation (min/avg/max) = 4.297 | 4.488 | 4.678 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
+Loop time of 1.96356 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 55002.186 tau/day, 127.320 timesteps/s
+99.4% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.0024     | 1.243      | 1.4835     |  21.6 | 63.30
+Neigh   | 0.3963     | 0.41601    | 0.43572    |   3.1 | 21.19
+Comm    | 0.032948   | 0.29324    | 0.55353    |  48.1 | 14.93
+Output  | 0.00013924 | 0.00014722 | 0.00015521 |   0.0 |  0.01
+Modify  | 0.0072696  | 0.0073524  | 0.0074351  |   0.1 |  0.37
+Other   |            | 0.003842   |            |       |  0.20
+
+Nlocal:    2000 ave 2051 max 1949 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10443 ave 10506 max 10380 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298332 ave 363449 max 233215 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596664
+Ave neighs/atom = 149.166
+Neighbor list builds = 24
+Dangerous builds = 0
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+  rebalancing time: 0.000424623 seconds
+  iteration count = 3
+  time weight factor: 1
+  initial/final max load/proc = 1.91926 1.6972
+  initial/final imbalance factor = 1.15689 1.02304
+  x cuts: 0 0.4375 1
+  y cuts: 0 1
+  z cuts: 0 1
+run		250
+Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.685 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
+Loop time of 1.84751 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 58457.127 tau/day, 135.317 timesteps/s
+99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1214     | 1.2291     | 1.3368     |   9.7 | 66.53
+Neigh   | 0.37418    | 0.41926    | 0.46434    |   7.0 | 22.69
+Comm    | 0.033842   | 0.18738    | 0.34091    |  35.5 | 10.14
+Output  | 0.00016665 | 0.00018752 | 0.00020838 |   0.0 |  0.01
+Modify  | 0.0062993  | 0.0072798  | 0.0082603  |   1.1 |  0.39
+Other   |            | 0.00428    |            |       |  0.23
+
+Nlocal:    2000 ave 2284 max 1716 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10450 ave 10742 max 10158 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298063 ave 326003 max 270123 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596126
+Ave neighs/atom = 149.031
+Neighbor list builds = 25
+Dangerous builds = 0
+balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
+  rebalancing time: 0.000502825 seconds
+  iteration count = 3
+  time weight factor: 1
+  initial/final max load/proc = 1.80118 1.79434
+  initial/final imbalance factor = 1.0927 1.08854
+  x cuts: 0 0.507812 1
+  y cuts: 0 1
+  z cuts: 0 1
+run 		250
+Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
+     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236 
+     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637 
+     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342 
+     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523 
+Loop time of 2.03694 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 53020.655 tau/day, 122.733 timesteps/s
+99.3% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.92132    | 1.2301     | 1.5389     |  27.8 | 60.39
+Neigh   | 0.3924     | 0.42313    | 0.45386    |   4.7 | 20.77
+Comm    | 0.032816   | 0.37246    | 0.71211    |  55.7 | 18.29
+Output  | 0.00013733 | 0.00014532 | 0.0001533  |   0.0 |  0.01
+Modify  | 0.0069692  | 0.0072372  | 0.0075052  |   0.3 |  0.36
+Other   |            | 0.003856   |            |       |  0.19
+
+Nlocal:    2000 ave 2097 max 1903 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10439.5 ave 10561 max 10318 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    299628 ave 378859 max 220397 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 599256
+Ave neighs/atom = 149.814
+Neighbor list builds = 25
+Dangerous builds = 0
+Total wall time: 0:00:05
diff --git a/examples/balance/log.5Oct16.balance.clock.static.g++.4 b/examples/balance/log.27Nov18.balance.clock.static.g++.4
similarity index 59%
rename from examples/balance/log.5Oct16.balance.clock.static.g++.4
rename to examples/balance/log.27Nov18.balance.clock.static.g++.4
index 1348e396df..45bae5631f 100644
--- a/examples/balance/log.5Oct16.balance.clock.static.g++.4
+++ b/examples/balance/log.27Nov18.balance.clock.static.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000427961 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -36,13 +38,18 @@ group		slow type 2
 1400 atoms in group slow
 balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.000463963 seconds
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000848055 seconds
   iteration count = 2
   time weight factor: 1
   initial/final max load/proc = 1200 1200
@@ -63,7 +70,7 @@ fix		1 all nve
 
 thermo		50
 run		250
-Memory usage per processor = 2.77892 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.426 | 3.713 | 4.188 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            1   -6.9453205            0   -5.4456955   -5.6812358 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
@@ -71,20 +78,20 @@ Step Temp E_pair E_mol TotEng Press
      150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
      200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.40211 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.50594 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 77026.670 tau/day, 178.302 timesteps/s
-98.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 71716.080 tau/day, 166.009 timesteps/s
+96.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.35738    | 0.65181    | 1.1696     |  41.3 | 46.49
-Neigh   | 0.13196    | 0.17021    | 0.20914    |   7.5 | 12.14
-Comm    | 0.034142   | 0.57176    | 0.88483    |  44.5 | 40.78
-Output  | 0.0001142  | 0.0001266  | 0.00014806 |   0.1 |  0.01
-Modify  | 0.0023732  | 0.0032824  | 0.0044029  |   1.3 |  0.23
-Other   |            | 0.004928   |            |       |  0.35
+Pair    | 0.34764    | 0.66777    | 1.2288     |  43.4 | 44.34
+Neigh   | 0.1594     | 0.20524    | 0.2451     |   7.5 | 13.63
+Comm    | 0.039175   | 0.62421    | 0.93047    |  45.4 | 41.45
+Output  | 0.00015855 | 0.00024235 | 0.00047231 |   0.0 |  0.02
+Modify  | 0.0028908  | 0.0039527  | 0.0049407  |   1.2 |  0.26
+Other   |            | 0.004522   |            |       |  0.30
 
 Nlocal:    1000 ave 1263 max 712 min
 Histogram: 1 0 0 0 1 0 1 0 0 1
@@ -98,16 +105,16 @@ Ave neighs/atom = 149.325
 Neighbor list builds = 23
 Dangerous builds = 0
 balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
-  rebalancing time: 0.000343084 seconds
-  iteration count = 5
+  rebalancing time: 0.000421047 seconds
+  iteration count = 4
   time weight factor: 1
-  initial/final max load/proc = 1.35965 0.878579
-  initial/final imbalance factor = 1.65405 1.06882
-  x cuts: 0 0.304688 0.460938 0.634766 1
+  initial/final max load/proc = 1.45871 0.956175
+  initial/final imbalance factor = 1.6709 1.09526
+  x cuts: 0 0.296875 0.453125 0.628906 1
   y cuts: 0 1
   z cuts: 0 1
 run		250
-Memory usage per processor = 2.78273 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.787 | 3.907 | 4.192 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
      300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
@@ -115,43 +122,43 @@ Step Temp E_pair E_mol TotEng Press
      400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
      450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
-Loop time of 1.06588 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.24397 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 101324.291 tau/day, 234.547 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 86819.073 tau/day, 200.970 timesteps/s
+95.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.45977    | 0.64931    | 0.82184    |  17.0 | 60.92
-Neigh   | 0.11586    | 0.17099    | 0.23942    |  12.5 | 16.04
-Comm    | 0.10905    | 0.23692    | 0.35707    |  18.4 | 22.23
-Output  | 0.00011897 | 0.00014734 | 0.00017262 |   0.2 |  0.01
-Modify  | 0.0020723  | 0.0032738  | 0.0047829  |   2.0 |  0.31
-Other   |            | 0.005239   |            |       |  0.49
+Pair    | 0.4612     | 0.67729    | 0.88321    |  20.9 | 54.45
+Neigh   | 0.14175    | 0.20919    | 0.28903    |  13.7 | 16.82
+Comm    | 0.19855    | 0.34785    | 0.48428    |  18.8 | 27.96
+Output  | 0.00016665 | 0.00030792 | 0.00066757 |   0.0 |  0.02
+Modify  | 0.0027177  | 0.0053391  | 0.010109   |   4.1 |  0.43
+Other   |            | 0.003992   |            |       |  0.32
 
-Nlocal:    1000 ave 1435 max 639 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8679.75 ave 9430 max 7994 min
+Nlocal:    1000 ave 1462 max 652 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8657 ave 9421 max 7969 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs:    149356 ave 195930 max 106343 min
 Histogram: 1 1 0 0 0 0 0 1 0 1
-Neighs:    149356 ave 184268 max 102258 min
-Histogram: 1 0 0 0 1 0 0 0 1 1
 
 Total # of neighbors = 597424
 Ave neighs/atom = 149.356
 Neighbor list builds = 24
 Dangerous builds = 0
 balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
-  rebalancing time: 0.000194073 seconds
-  iteration count = 4
+  rebalancing time: 0.000288963 seconds
+  iteration count = 5
   time weight factor: 1
-  initial/final max load/proc = 0.948736 0.898491
-  initial/final imbalance factor = 1.15657 1.09532
-  x cuts: 0 0.314453 0.451172 0.602173 1
+  initial/final max load/proc = 1.03814 0.978524
+  initial/final imbalance factor = 1.17108 1.10383
+  x cuts: 0 0.301758 0.448242 0.60144 1
   y cuts: 0 1
   z cuts: 0 1
 run 		250
-Memory usage per processor = 2.7999 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.804 | 3.927 | 4.209 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
      550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834 
@@ -159,27 +166,27 @@ Step Temp E_pair E_mol TotEng Press
      650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
      700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
      750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
-Loop time of 1.02789 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.14445 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 105069.856 tau/day, 243.217 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 94368.537 tau/day, 218.446 timesteps/s
+98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.51012    | 0.64726    | 0.75553    |  11.2 | 62.97
-Neigh   | 0.10374    | 0.17664    | 0.25597    |  15.7 | 17.19
-Comm    | 0.10147    | 0.19583    | 0.28425    |  16.9 | 19.05
-Output  | 0.00011802 | 0.000139   | 0.00015593 |   0.1 |  0.01
-Modify  | 0.0017936  | 0.0032012  | 0.0047436  |   2.3 |  0.31
-Other   |            | 0.004817   |            |       |  0.47
+Pair    | 0.52287    | 0.67351    | 0.79602    |  13.2 | 58.85
+Neigh   | 0.14306    | 0.21848    | 0.31638    |  16.2 | 19.09
+Comm    | 0.19457    | 0.24404    | 0.29562    |   7.2 | 21.32
+Output  | 0.00016236 | 0.00029993 | 0.00065851 |   0.0 |  0.03
+Modify  | 0.0024104  | 0.0038835  | 0.0057485  |   2.3 |  0.34
+Other   |            | 0.004232   |            |       |  0.37
 
-Nlocal:    1000 ave 1518 max 524 min
-Histogram: 1 1 0 0 0 0 0 1 0 1
-Nghost:    8714.5 ave 9870 max 7980 min
+Nlocal:    1000 ave 1522 max 593 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8754 ave 9866 max 8002 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    149124 ave 173877 max 119242 min
-Histogram: 1 0 0 1 0 0 0 1 0 1
+Neighs:    149124 ave 182694 max 120516 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
 
 Total # of neighbors = 596497
 Ave neighs/atom = 149.124
diff --git a/examples/balance/log.27Nov18.balance.g++.2 b/examples/balance/log.27Nov18.balance.g++.2
new file mode 100644
index 0000000000..6b0d0baa88
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.g++.2
@@ -0,0 +1,209 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 1 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.000478506 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom c_1%10
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.061 | 3.065 | 3.07 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -29.143179   -1.2407285            2    1.0193906 
+     100    26.269576   -29.713313    7.9052334    1.1135734    1.0027701 
+     200    26.368336   -29.809962    1.6412462    1.0803324    1.0027701 
+     300    26.479082   -29.920083    2.3678653    1.1578947    1.0083102 
+     400    26.522239   -29.965537    6.6787858    1.1578947    1.0083102 
+     500    25.725591   -29.168034   0.67065285    1.1024931    1.0083102 
+     600    26.247693   -29.692706    7.9887712    1.1301939    1.0027701 
+     700    26.237368   -29.676926    1.5987214    1.1578947    1.0027701 
+     800    25.889643   -29.431589    4.6160859    1.1523546    1.0027701 
+     900    23.635295   -27.372963     9.029962    1.1468144    1.0027701 
+    1000    22.571904    -25.87422    1.8936085    1.1191136    1.0083102 
+    1100    17.493795   -21.447274     9.502619    1.0747922    1.0027701 
+    1200    17.214459   -20.726965    6.3578919    1.0193906    1.0083102 
+    1300    16.424217   -19.757401    3.9026861    1.0083102    1.0027701 
+    1400    15.051731    -18.13464    1.7558146    1.0249307    1.0027701 
+    1500    13.966718   -17.051915    1.4843674    1.0470914    1.0027701 
+    1600    13.615641   -16.582695    1.7845355    1.0415512    1.0027701 
+    1700    13.278822   -16.278248    1.8263176    1.0470914    1.0083102 
+    1800    12.680841    -15.81089    2.0096239    1.0415512    1.0027701 
+    1900    12.039167    -14.99225    1.4379549    1.0360111    1.0027701 
+    2000    12.298923   -15.188233    1.6287319    1.0249307    1.0027701 
+    2100    12.048347   -14.947484    1.0583787    1.0304709    1.0027701 
+    2200    12.024664    -14.91864    1.0617555    1.0304709    1.0027701 
+    2300    11.878263   -14.769923    1.2892425    1.0360111    1.0027701 
+    2400    11.578448   -14.525725    1.2925126    1.0083102    1.0027701 
+    2500    11.948793   -14.736647    1.5473169    1.0249307    1.0027701 
+    2600    11.933924   -14.725605    1.3673896    1.0249307    1.0027701 
+    2700    11.622855   -14.414518    1.3035925    1.0304709    1.0083102 
+    2800    10.600538   -13.451379    1.3422508    1.0138504    1.0027701 
+    2900    10.404739   -13.242902    1.3070821    1.0083102    1.0027701 
+    3000     10.73199    -13.60699   0.92518136    1.0138504    1.0027701 
+    3100    10.807664   -13.624775    1.3037969    1.0193906    1.0027701 
+    3200    10.393964   -13.212022   0.72081929    1.0027701    1.0027701 
+    3300    9.8733371    -12.65719    1.1606833    1.0138504    1.0027701 
+    3400    9.6206594   -12.349773   0.69859994    1.0138504    1.0027701 
+    3500    9.5882688    -12.32291    1.0028888    1.0138504    1.0027701 
+    3600     9.693129   -12.441628   0.94751509    1.0193906    1.0083102 
+    3700    9.3727837   -12.162354    1.9639195    1.0027701    1.0027701 
+    3800    9.1011581   -11.860999    1.0253876    1.0083102    1.0027701 
+    3900    8.6637799    -11.44226    1.4848652    1.0027701    1.0027701 
+    4000    9.0454579   -11.770928   0.82719098    1.0083102    1.0083102 
+    4100    8.5574492    -11.30614   0.82422479    1.0193906    1.0027701 
+    4200    8.5903538   -11.322978   0.45091349    1.0027701    1.0027701 
+    4300     8.540208   -11.282844   0.55403945    1.0027701    1.0027701 
+    4400    7.7043293   -10.372194   0.80170046    1.0027701    1.0027701 
+    4500    7.3429905   -9.9970461   0.77097228    1.0193906    1.0027701 
+    4600      7.35485   -9.9992837   0.66531873    1.0027701    1.0027701 
+    4700    7.3278467   -9.9885021   0.99577458    1.0193906    1.0027701 
+    4800    7.8179777   -10.468758   0.56434522    1.0138504    1.0083102 
+    4900     7.571002   -10.215558   0.81064116    1.0138504    1.0027701 
+    5000    7.5326417   -10.224594   0.86387082    1.0083102    1.0027701 
+    5100    7.8120521   -10.468885   0.86739094    1.0027701    1.0027701 
+    5200    7.2949975   -10.041278    1.0298349    1.0027701    1.0027701 
+    5300    7.6564811   -10.297993   0.71060925    1.0027701    1.0083102 
+    5400    7.7359804   -10.373635   0.61872932    1.0027701    1.0083102 
+    5500    7.6511513   -10.279058   0.87569767    1.0027701    1.0027701 
+    5600    7.2927879   -9.9378811    1.1573049    1.0083102    1.0083102 
+    5700    7.1836162   -9.8357325   0.43012076    1.0083102    1.0083102 
+    5800    7.3405818   -9.9780947   0.69346928    1.0083102    1.0027701 
+    5900    7.6636501   -10.323536   0.82554433    1.0027701    1.0027701 
+    6000    7.3515582   -9.9803466      1.09521    1.0138504    1.0027701 
+    6100    7.0275875   -9.6739554   0.48460922    1.0027701    1.0027701 
+    6200    7.1449226   -9.7541904   0.83007096    1.0193906    1.0083102 
+    6300     7.036185   -9.6445595    1.0982599    1.0193906    1.0027701 
+    6400    7.1288989   -9.7501637    1.0103414    1.0138504    1.0027701 
+    6500    6.6559525    -9.256798   0.58741228    1.0027701    1.0027701 
+    6600    7.0559949   -9.6563848   0.53504661    1.0027701    1.0027701 
+    6700     7.124289   -9.7613906   0.70816625    1.0027701    1.0027701 
+    6800    7.0141849   -9.6298357   0.55987809    1.0083102    1.0027701 
+    6900    6.8617323   -9.4376408   0.62371253    1.0193906    1.0083102 
+    7000    6.7496366   -9.3379578   0.83540012    1.0027701    1.0083102 
+    7100    7.0418565    -9.664915   0.68231111    1.0083102    1.0027701 
+    7200    6.6175362   -9.2066737   0.31371885    1.0138504    1.0027701 
+    7300     7.076179   -9.6917457    1.0827515    1.0083102    1.0027701 
+    7400    6.5263123   -9.1321276    1.1892921    1.0027701    1.0027701 
+    7500    6.8072952   -9.3976358   0.60458526    1.0138504    1.0027701 
+    7600     6.610006   -9.1934492   0.54359615    1.0193906    1.0027701 
+    7700    6.3533198    -8.943515   0.91970357    1.0138504    1.0027701 
+    7800    6.7226774   -9.3164434   0.81151352    1.0027701    1.0083102 
+    7900    6.2329222   -8.8531998   0.59439797    1.0083102    1.0027701 
+    8000    6.5818943   -9.2025911   0.66303132    1.0083102    1.0027701 
+    8100     6.372739   -8.9403406   0.81325975    1.0138504    1.0027701 
+    8200     6.462003   -9.0346265   0.54917879    1.0083102    1.0027701 
+    8300    6.5947825   -9.2171877    0.9005455    1.0027701    1.0027701 
+    8400    6.7803374   -9.4179158   0.37270772    1.0027701    1.0027701 
+    8500    6.7122886   -9.3363107   0.77011047    1.0083102    1.0027701 
+    8600    6.8286386   -9.4264779   0.35815593    1.0027701    1.0027701 
+    8700    6.4796483   -9.0676554   0.84568363    1.0138504    1.0027701 
+    8800     6.551896   -9.1793668    1.0319947    1.0083102    1.0027701 
+    8900    6.1879163   -8.7590749   0.34445309    1.0027701    1.0027701 
+    9000    6.2374494   -8.7872159   0.46749314    1.0027701    1.0027701 
+    9100    6.3605933   -8.9335681   0.86786624    1.0027701    1.0027701 
+    9200    6.4387791   -9.0144583   0.56089061    1.0083102    1.0027701 
+    9300    6.2745383   -8.9019836   0.58565081    1.0083102    1.0027701 
+    9400    6.1957924   -8.7638279   0.65785826    1.0027701    1.0083102 
+    9500     6.079287   -8.6556289   0.47532552    1.0083102    1.0027701 
+    9600    6.7679205   -9.3427341   0.48539851    1.0083102    1.0027701 
+    9700    6.4007616   -8.9753463   0.58689382    1.0138504    1.0027701 
+    9800    6.2137021   -8.7670545   0.80327882    1.0249307    1.0027701 
+    9900     6.063559   -8.6359278   0.34977555    1.0083102    1.0027701 
+   10000    6.5604562   -9.1417599   0.49589297    1.0083102    1.0027701 
+Loop time of 0.469504 on 2 procs for 10000 steps with 361 atoms
+
+Performance: 9201197.252 tau/day, 21299.068 timesteps/s
+94.4% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.13648    | 0.14553    | 0.15459    |   2.4 | 31.00
+Neigh   | 0.13867    | 0.14128    | 0.1439     |   0.7 | 30.09
+Comm    | 0.05533    | 0.06494    | 0.07455    |   3.8 | 13.83
+Output  | 0.0012147  | 0.0013802  | 0.0015457  |   0.4 |  0.29
+Modify  | 0.071393   | 0.071421   | 0.07145    |   0.0 | 15.21
+Other   |            | 0.04494    |            |       |  9.57
+
+Nlocal:    180.5 ave 181 max 180 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    30 ave 34 max 26 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    579.5 ave 644 max 515 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 1159
+Ave neighs/atom = 3.21053
+Neighbor list builds = 3510
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/balance/log.27Nov18.balance.g++.4 b/examples/balance/log.27Nov18.balance.g++.4
new file mode 100644
index 0000000000..7889eff888
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.g++.4
@@ -0,0 +1,209 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d circle of particles inside a box with LJ walls
+
+variable        b index 0
+
+variable	x index 50
+variable	y index 20
+variable	d index 20
+variable	v index 5
+variable	w index 2
+
+units		lj
+dimension       2
+atom_style	atomic
+boundary        f f p
+
+lattice		hex 0.85
+Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
+region		box block 0 $x 0 $y -0.5 0.5
+region		box block 0 50 0 $y -0.5 0.5
+region		box block 0 50 0 20 -0.5 0.5
+create_box	1 box
+Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
+  2 by 2 by 1 MPI processor grid
+region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
+region		circle sphere 11 6.7735026918962581988 0.0 10
+create_atoms	1 region circle
+Created 361 atoms
+  Time spent = 0.000404358 secs
+mass		1 1.0
+
+velocity	all create 0.5 87287 loop geom
+velocity        all set $v $w 0 sum yes
+velocity        all set 5 $w 0 sum yes
+velocity        all set 5 2 0 sum yes
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 10.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 all nve
+
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
+fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
+fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
+
+comm_style      tiled
+fix             10 all balance 50 0.9 rcb
+
+#compute         1 all property/atom proc
+#variable        p atom c_1%10
+#dump            2 all custom 50 tmp.dump id v_p x y z
+
+#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
+#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
+#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
+
+thermo_style    custom step temp epair press f_10[3] f_10
+thermo          100
+
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 42 29 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.041 | 3.047 | 3.059 Mbytes
+Step Temp E_pair Press f_10[3] f_10 
+       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
+     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
+     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
+     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
+     400    26.522239   -29.965537    6.6787858    1.1855956    1.0083102 
+     500    25.725591   -29.168034   0.67065285    1.2520776    1.0193906 
+     600    26.247693   -29.692706    7.9887712    1.3074792    1.0193906 
+     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
+     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
+     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
+    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
+    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
+    1200    17.214459   -20.726965    6.3578918    1.0304709    1.0083102 
+    1300     16.42412   -19.757358    3.9027527    1.1191136    1.0193906 
+    1400    15.030721   -18.114099    1.7564242    1.1523546    1.0193906 
+    1500     13.81681   -16.902783    1.1577715    1.0858726    1.0083102 
+    1600    13.686443   -16.661545    1.5415714    1.0969529    1.0083102 
+    1700    13.019794   -16.066239    2.0360985    1.0526316    1.0083102 
+    1800    12.297559     -15.3505    2.3411708    1.0858726    1.0083102 
+    1900    12.279142   -15.287559    1.6641576    1.0415512    1.0083102 
+    2000    12.230052   -15.192836    1.0975388    1.0415512    1.0193906 
+    2100    11.697549   -14.599737    1.6237216    1.0969529    1.0083102 
+    2200    11.682062   -14.610972    1.4641234    1.0747922    1.0083102 
+    2300    11.075799   -13.986408    1.3034228    1.0637119    1.0083102 
+    2400    11.362073   -14.290331    1.4934327    1.0304709    1.0083102 
+    2500    11.100258   -14.006922    1.5476543    1.0415512    1.0193906 
+    2600     11.12995   -14.013738     1.648208    1.0526316    1.0193906 
+    2700    10.709161   -13.560172     1.396234    1.0193906    1.0083102 
+    2800    10.827433   -13.654426    1.0691842    1.0304709    1.0083102 
+    2900    10.653946   -13.622298    1.0985321    1.0304709    1.0083102 
+    3000    10.277755   -13.110194   0.80184675    1.0304709    1.0083102 
+    3100    9.9099809   -12.702359    1.0351594    1.0304709    1.0193906 
+    3200    9.7539825   -12.558768   0.54465848    1.0526316    1.0083102 
+    3300    10.126666   -12.949441   0.64914734    1.0304709    1.0083102 
+    3400    9.5324496   -12.338741    1.2896056    1.0193906    1.0193906 
+    3500    9.4041639   -12.170248   0.72157285    1.0304709    1.0083102 
+    3600    9.2601291   -12.094438    1.1638062    1.0415512    1.0193906 
+    3700    9.7052324   -12.503428    1.0681965    1.0193906    1.0193906 
+    3800    9.1757619    -11.95576    1.2517655    1.0637119    1.0083102 
+    3900    9.2622488   -12.036744   0.49874718    1.0193906    1.0083102 
+    4000    8.8510215   -11.634558    1.0887428    1.0415512    1.0193906 
+    4100    8.3821331   -11.145234   0.91008971    1.0193906    1.0083102 
+    4200    8.2295054   -10.970304    0.5181043    1.0304709    1.0083102 
+    4300    8.2161013   -10.942353   0.42128421    1.0304709    1.0193906 
+    4400    7.7366945     -10.4592   0.79646198    1.0304709    1.0193906 
+    4500    7.6089407   -10.446852    1.0059975    1.0083102    1.0193906 
+    4600    7.6662499   -10.406613    1.7369986    1.0193906    1.0083102 
+    4700    7.9515739   -10.665324   0.73173058    1.0193906    1.0083102 
+    4800    7.7580664   -10.520311    1.1065958    1.0304709    1.0083102 
+    4900     7.561205   -10.291568   0.97923495    1.0083102    1.0193906 
+    5000    7.4169102   -10.130439    1.1566293    1.0193906    1.0193906 
+    5100    7.5994418   -10.310725    1.1081236    1.0193906    1.0193906 
+    5200    7.4637026   -10.211945   0.46308591    1.0193906    1.0083102 
+    5300    7.5864081   -10.289039   0.55146387    1.0415512    1.0083102 
+    5400    7.2190688   -9.8943729   0.56255805    1.0193906    1.0193906 
+    5500    7.3953465   -10.112294   0.49166363    1.0193906    1.0193906 
+    5600    7.3584536   -10.027488   0.69227871    1.0193906    1.0193906 
+    5700     6.932639   -9.6121874   0.67344283    1.0304709    1.0083102 
+    5800     7.088604   -9.7715725   0.20307999    1.0193906    1.0193906 
+    5900    6.9761247   -9.6446998   0.90406994    1.0083102    1.0083102 
+    6000    6.8763621   -9.5236579   0.57873884    1.0415512    1.0083102 
+    6100     6.939987   -9.5929188   0.36904108    1.0304709    1.0083102 
+    6200     6.820038   -9.4635599   0.63193653    1.0304709    1.0083102 
+    6300    6.8288347   -9.4833639   0.41971515    1.0415512    1.0304709 
+    6400    6.8690672   -9.5446244    1.0201589    1.0415512    1.0193906 
+    6500    6.4727631   -9.1148404   0.80775699    1.0193906    1.0193906 
+    6600    6.7113328   -9.3554765   0.61684835    1.0083102    1.0083102 
+    6700    6.5896516   -9.2696941   0.58593745    1.0526316    1.0193906 
+    6800    6.5609717   -9.2314045    1.2897992    1.0193906    1.0083102 
+    6900    6.6225137   -9.2809347   0.47677707    1.0415512    1.0083102 
+    7000    6.6617661   -9.3147214   0.72415312    1.0304709    1.0193906 
+    7100    6.5773856   -9.2843036    0.7800794    1.0304709    1.0083102 
+    7200    6.7300254   -9.4233488   0.73403634    1.0193906    1.0193906 
+    7300    6.8497011   -9.4992354   0.97755826    1.0304709    1.0193906 
+    7400    6.5848304   -9.2649536   0.89449647    1.0526316    1.0193906 
+    7500    6.6468599   -9.3004561   0.53259674    1.0304709    1.0083102 
+    7600    6.7096387   -9.3824628   0.40095675    1.0193906    1.0083102 
+    7700    6.6205931   -9.2612947   0.44113095    1.0083102    1.0083102 
+    7800     6.444935    -9.073124   0.47355329    1.0193906    1.0083102 
+    7900    6.6143353   -9.2763501   0.57936627    1.0193906    1.0083102 
+    8000    6.5718284   -9.2099799   0.88048189    1.0637119    1.0083102 
+    8100    6.9155381   -9.5644544   0.36029314    1.0415512    1.0083102 
+    8200    6.4217261   -9.0582117    0.4577164    1.0193906    1.0193906 
+    8300    6.4639521   -9.0911283   0.50560328    1.0193906    1.0193906 
+    8400    6.2047897   -8.8357836   0.71150301    1.0083102    1.0083102 
+    8500    6.5688691   -9.2701491    0.5963871    1.0193906    1.0083102 
+    8600    6.6803448   -9.3311473   0.47008064    1.0304709    1.0083102 
+    8700    6.4794219   -9.1136868   0.97764575    1.0193906    1.0193906 
+    8800    6.3899651   -9.0655629   0.72557611    1.0083102    1.0193906 
+    8900    6.4446062   -9.1121453   0.53050589    1.0193906    1.0083102 
+    9000    6.7012614   -9.3365992   0.63041848    1.0415512    1.0083102 
+    9100    6.3982388   -9.0510004   0.34575359    1.0415512    1.0083102 
+    9200    6.9775773   -9.6647109   0.97993232    1.0304709    1.0193906 
+    9300    6.5504231   -9.2113542   0.58697844    1.0193906    1.0193906 
+    9400    6.6900283   -9.3954145   0.40867465    1.0083102    1.0193906 
+    9500    6.3553229   -8.9965934   0.60133843    1.0526316    1.0193906 
+    9600    6.4861076   -9.1404384    1.0033387    1.0193906    1.0193906 
+    9700     6.469481   -9.1202491   0.85523385    1.0083102    1.0193906 
+    9800    6.5508552    -9.188341    0.6068644    1.0304709    1.0083102 
+    9900    6.4355199   -9.1044882   0.83288252    1.0304709    1.0193906 
+   10000    6.4850092   -9.1433721   0.58691238    1.0193906    1.0193906 
+Loop time of 0.418243 on 4 procs for 10000 steps with 361 atoms
+
+Performance: 10328920.895 tau/day, 23909.539 timesteps/s
+87.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.062269   | 0.073833   | 0.096031   |   4.9 | 17.65
+Neigh   | 0.066658   | 0.072882   | 0.084956   |   2.7 | 17.43
+Comm    | 0.10814    | 0.13013    | 0.14677    |   4.4 | 31.11
+Output  | 0.0015733  | 0.0017747  | 0.0023153  |   0.7 |  0.42
+Modify  | 0.060045   | 0.060904   | 0.061674   |   0.3 | 14.56
+Other   |            | 0.07872    |            |       | 18.82
+
+Nlocal:    90.25 ave 92 max 89 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    33.25 ave 57 max 13 min
+Histogram: 1 0 0 0 2 0 0 0 0 1
+Neighs:    309.25 ave 496 max 125 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+
+Total # of neighbors = 1237
+Ave neighs/atom = 3.42659
+Neighbor list builds = 3620
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/balance/log.27Nov18.balance.group.dynamic.g++.2 b/examples/balance/log.27Nov18.balance.group.dynamic.g++.2
new file mode 100644
index 0000000000..b88593b718
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.group.dynamic.g++.2
@@ -0,0 +1,110 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000552893 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted.txt
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000512123 seconds
+  iteration count = 1
+  group weights: fast=1 slow=1
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor}
+fix		0 all balance 10 1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Per MPI rank memory allocation (min/avg/max) = 4.437 | 4.628 | 4.819 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+Loop time of 1.95661 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 55197.383 tau/day, 127.772 timesteps/s
+99.4% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.0628     | 1.263      | 1.4632     |  17.8 | 64.55
+Neigh   | 0.42332    | 0.43486    | 0.44639    |   1.7 | 22.22
+Comm    | 0.033167   | 0.2449     | 0.45664    |  42.8 | 12.52
+Output  | 0.00015879 | 0.00017142 | 0.00018406 |   0.0 |  0.01
+Modify  | 0.010039   | 0.010042   | 0.010045   |   0.0 |  0.51
+Other   |            | 0.003658   |            |       |  0.19
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 2 0 0 0 0 0 0 0 0 0
+Nghost:    10441 ave 10457 max 10425 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298332 ave 349156 max 247508 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596664
+Ave neighs/atom = 149.166
+Neighbor list builds = 25
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/balance/log.5Oct16.balance.group.dynamic.g++.4 b/examples/balance/log.27Nov18.balance.group.dynamic.g++.4
similarity index 73%
rename from examples/balance/log.5Oct16.balance.group.dynamic.g++.4
rename to examples/balance/log.27Nov18.balance.group.dynamic.g++.4
index b7b893e5fd..ec6fc449c4 100644
--- a/examples/balance/log.5Oct16.balance.group.dynamic.g++.4
+++ b/examples/balance/log.27Nov18.balance.group.dynamic.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000427008 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -37,13 +39,18 @@ group		slow type 2
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted.txt
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.000472069 seconds
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000735044 seconds
   iteration count = 2
   group weights: fast=1 slow=1
   initial/final max load/proc = 1200 1200
@@ -66,7 +73,7 @@ fix		1 all nve
 
 thermo		50
 run		250
-Memory usage per processor = 2.9192 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.566 | 3.947 | 4.329 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
@@ -74,20 +81,20 @@ Step Temp E_pair E_mol TotEng Press Volume
      150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
      200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
-Loop time of 1.40299 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.48981 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 76978.657 tau/day, 178.191 timesteps/s
-99.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 72492.623 tau/day, 167.807 timesteps/s
+96.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.22572    | 0.65681    | 1.1571     |  45.2 | 46.82
-Neigh   | 0.16769    | 0.18555    | 0.20139    |   3.0 | 13.23
-Comm    | 0.033973   | 0.55042    | 0.99983    |  51.1 | 39.23
-Output  | 0.00012207 | 0.00013012 | 0.00014353 |   0.1 |  0.01
-Modify  | 0.0053966  | 0.0054266  | 0.0054569  |   0.0 |  0.39
-Other   |            | 0.004645   |            |       |  0.33
+Pair    | 0.22803    | 0.67101    | 1.1622     |  43.7 | 45.04
+Neigh   | 0.20611    | 0.2259     | 0.23756    |   2.5 | 15.16
+Comm    | 0.085412   | 0.58198    | 1.045      |  47.7 | 39.06
+Output  | 0.00016332 | 0.00028861 | 0.0006516  |   0.0 |  0.02
+Modify  | 0.0069213  | 0.0070978  | 0.0072331  |   0.1 |  0.48
+Other   |            | 0.003534   |            |       |  0.24
 
 Nlocal:    1000 ave 1001 max 999 min
 Histogram: 1 0 0 0 0 2 0 0 0 1
diff --git a/examples/balance/log.27Nov18.balance.group.static.g++.2 b/examples/balance/log.27Nov18.balance.group.static.g++.2
new file mode 100644
index 0000000000..eb7a506e2c
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.group.static.g++.2
@@ -0,0 +1,146 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.00050807 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 5 1.1 # out unweighted.txt
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000545979 seconds
+  iteration count = 1
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+balance		1.0 x uniform
+  rebalancing time: 0.000159502 seconds
+  iteration count = 0
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+variable        weight atom (type==1)*1.0+(type==2)*v_factor
+balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
+  rebalancing time: 0.000320673 seconds
+  iteration count = 1
+  weight variable: weight
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+balance		1.0 x uniform
+  rebalancing time: 0.000132561 seconds
+  iteration count = 0
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt
+balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
+  rebalancing time: 0.000235796 seconds
+  iteration count = 1
+  group weights: fast=1 slow=1
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Per MPI rank memory allocation (min/avg/max) = 4.297 | 4.488 | 4.678 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
+Loop time of 1.99136 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 54234.216 tau/day, 125.542 timesteps/s
+99.0% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.0081     | 1.262      | 1.5159     |  22.6 | 63.37
+Neigh   | 0.40357    | 0.41713    | 0.43069    |   2.1 | 20.95
+Comm    | 0.033287   | 0.30076    | 0.56822    |  48.8 | 15.10
+Output  | 0.00014162 | 0.00015128 | 0.00016093 |   0.0 |  0.01
+Modify  | 0.0072243  | 0.0073462  | 0.007468   |   0.1 |  0.37
+Other   |            | 0.003961   |            |       |  0.20
+
+Nlocal:    2000 ave 2051 max 1949 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10443 ave 10506 max 10380 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298332 ave 363449 max 233215 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596664
+Ave neighs/atom = 149.166
+Neighbor list builds = 24
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/balance/log.5Oct16.balance.group.static.g++.4 b/examples/balance/log.27Nov18.balance.group.static.g++.4
similarity index 74%
rename from examples/balance/log.5Oct16.balance.group.static.g++.4
rename to examples/balance/log.27Nov18.balance.group.static.g++.4
index be7a8dfc28..d792f1af93 100644
--- a/examples/balance/log.5Oct16.balance.group.static.g++.4
+++ b/examples/balance/log.27Nov18.balance.group.static.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000426769 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -32,13 +34,18 @@ neigh_modify	every 2 delay 4 check yes
 
 balance		1.0 shift x 5 1.1 # out unweighted.txt
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.00113606 seconds
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000867605 seconds
   iteration count = 2
   initial/final max load/proc = 1200 1200
   initial/final imbalance factor = 1.2 1.2
@@ -47,7 +54,7 @@ Neighbor list info ...
   z cuts: 0 1
 
 balance		1.0 x uniform
-  rebalancing time: 0.00050211 seconds
+  rebalancing time: 0.000295401 seconds
   iteration count = 0
   initial/final max load/proc = 1200 1200
   initial/final imbalance factor = 1.2 1.2
@@ -57,7 +64,7 @@ balance		1.0 x uniform
 
 variable        weight atom (type==1)*1.0+(type==2)*v_factor
 balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
-  rebalancing time: 0.000926018 seconds
+  rebalancing time: 0.000428915 seconds
   iteration count = 2
   weight variable: weight
   initial/final max load/proc = 1200 1200
@@ -67,7 +74,7 @@ balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt
   z cuts: 0 1
 
 balance		1.0 x uniform
-  rebalancing time: 0.000455856 seconds
+  rebalancing time: 0.000236273 seconds
   iteration count = 0
   initial/final max load/proc = 1200 1200
   initial/final imbalance factor = 1.2 1.2
@@ -81,7 +88,7 @@ group		slow type 2
 1400 atoms in group slow
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt
 balance		1.0 shift x 5 1.1                 weight group 2 fast 1.0 slow 1.0 
-  rebalancing time: 0.00071907 seconds
+  rebalancing time: 0.000319958 seconds
   iteration count = 2
   group weights: fast=1 slow=1
   initial/final max load/proc = 1200 1200
@@ -102,7 +109,7 @@ fix		1 all nve
 
 thermo		50
 run		250
-Memory usage per processor = 2.77892 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.426 | 3.713 | 4.188 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            1   -6.9453205            0   -5.4456955   -5.6812358 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
@@ -110,20 +117,20 @@ Step Temp E_pair E_mol TotEng Press
      150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
      200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.42478 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.45972 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 75800.979 tau/day, 175.465 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 73986.752 tau/day, 171.266 timesteps/s
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.35155    | 0.65282    | 1.1868     |  42.1 | 45.82
-Neigh   | 0.12951    | 0.16927    | 0.20492    |   7.4 | 11.88
-Comm    | 0.03706    | 0.59419    | 0.90483    |  44.8 | 41.70
-Output  | 0.00011921 | 0.00013947 | 0.00015664 |   0.1 |  0.01
-Modify  | 0.0023413  | 0.0032853  | 0.0043154  |   1.2 |  0.23
-Other   |            | 0.005085   |            |       |  0.36
+Pair    | 0.34936    | 0.66325    | 1.1729     |  40.9 | 45.44
+Neigh   | 0.15811    | 0.20835    | 0.24806    |   7.4 | 14.27
+Comm    | 0.04955    | 0.57875    | 0.86745    |  43.6 | 39.65
+Output  | 0.00015831 | 0.00028872 | 0.00064492 |   0.0 |  0.02
+Modify  | 0.0030367  | 0.0040676  | 0.0050561  |   1.1 |  0.28
+Other   |            | 0.005014   |            |       |  0.34
 
 Nlocal:    1000 ave 1263 max 712 min
 Histogram: 1 0 0 0 1 0 1 0 0 1
diff --git a/examples/balance/log.27Nov18.balance.kspace.g++.2 b/examples/balance/log.27Nov18.balance.kspace.g++.2
new file mode 100644
index 0000000000..13e24ed17a
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.kspace.g++.2
@@ -0,0 +1,117 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+#atom_style	charge
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000510931 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+#set type 1:2    charge 0.0
+
+velocity	all create 1.0 87287
+
+pair_style	lj/long/coul/long long off 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+kspace_style    pppm/disp 1.0e-4
+kspace_modify   gewald/disp 0.1
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+fix		0 all balance 20 1.0 shift x 5 1.0                 weight group 2 fast 1.0 slow 2.0 weight time 0.66
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+PPPMDisp initialization ...
+  Dispersion G vector (1/distance) = 0.1
+  Dispersion grid = 2 2 2
+  Dispersion stencil order = 5
+  Dispersion estimated absolute RMS force accuracy = 1.01251
+  Dispersion estimated absolute real space RMS force accuracy = 1.01251
+  Dispersion estimated absolute kspace RMS force accuracy = 7.29446e-07
+  Disperion estimated relative force accuracy = 1.01251
+  using double precision FFTs
+  3d grid and FFT values/proc dispersion = 294 4
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/long/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.846 | 5.014 | 5.182 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1    52.148338            0    53.647963     94.09503    4738.2137 
+      50    17.747599    42.836975            0    69.451719    143.44398    4738.2137 
+     100    9.0390947     49.78615            0    63.341402    117.79296    4738.2137 
+     150    13.456072    47.810527            0    67.989589    140.52068    4738.2137 
+     200    11.358932    52.542448            0    69.576586    142.87196    4738.2137 
+     250    13.204593    48.601437            0    68.403375    134.97484    4738.2137 
+     300    12.061996    50.642194            0    68.730665    133.27077    4738.2137 
+     350    14.107163    50.201375            0    71.356829    143.54662    4738.2137 
+     400    12.053939    50.221116            0    68.297504    132.01999    4738.2137 
+     450    13.523963    50.829687            0     71.11056     143.8183    4738.2137 
+     500    13.135822    50.150114            0    69.848921    137.26364    4738.2137 
+Loop time of 6.95261 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 31067.471 tau/day, 71.915 timesteps/s
+99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.8521     | 3.0997     | 3.3472     |  14.1 | 44.58
+Kspace  | 1.1859     | 1.303      | 1.4202     |  10.3 | 18.74
+Neigh   | 2.2324     | 2.387      | 2.5417     |  10.0 | 34.33
+Comm    | 0.1003     | 0.12513    | 0.14996    |   7.0 |  1.80
+Output  | 0.00033641 | 0.00036693 | 0.00039744 |   0.0 |  0.01
+Modify  | 0.026408   | 0.02737    | 0.028331   |   0.6 |  0.39
+Other   |            | 0.009989   |            |       |  0.14
+
+Nlocal:    2000 ave 2316 max 1684 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    9543.5 ave 9675 max 9412 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    254445 ave 276022 max 232868 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 508890
+Ave neighs/atom = 127.222
+Neighbor list builds = 124
+Dangerous builds = 97
+Total wall time: 0:00:06
diff --git a/examples/balance/log.5Oct16.balance.kspace.g++.4 b/examples/balance/log.27Nov18.balance.kspace.g++.4
similarity index 58%
rename from examples/balance/log.5Oct16.balance.kspace.g++.4
rename to examples/balance/log.27Nov18.balance.kspace.g++.4
index 0a98c0d14f..7745b3e602 100644
--- a/examples/balance/log.5Oct16.balance.kspace.g++.4
+++ b/examples/balance/log.27Nov18.balance.kspace.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000432491 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -61,50 +63,55 @@ PPPMDisp initialization ...
   using double precision FFTs
   3d grid and FFT values/proc dispersion = 294 4
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-Memory usage per processor = 3.32692 Mbytes
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/long/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.291 | 4.423 | 4.656 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1    52.148338            0    53.647963     94.09503    4738.2137 
       50    17.850656    42.620113            0    69.389403    142.80556    4738.2137 
      100    9.4607189    49.700118            0    63.887649    117.51739    4738.2137 
      150    13.992056    47.731988            0    68.714825    140.56926    4738.2137 
-     200    11.617635    52.509395            0    69.931491     142.6933    4738.2137 
-     250    13.536262    48.330072            0    68.629389    133.91619    4738.2137 
-     300    12.619739     50.32635            0    69.251226    132.46483    4738.2137 
-     350    14.513905    50.104058            0    71.869473    143.37708    4738.2137 
-     400    12.410226    49.786147            0    68.396832    130.38693    4738.2137 
-     450    13.812498    51.076195            0    71.789763     144.8252    4738.2137 
-     500    13.278792    50.270368            0    70.183575     136.8547    4738.2137 
-Loop time of 5.24456 on 4 procs for 500 steps with 4000 atoms
+     200    11.617635    52.509394            0     69.93149     142.6933    4738.2137 
+     250    13.536287     48.33108            0    68.630434    133.91794    4738.2137 
+     300    12.619985    50.328139            0    69.253384    132.46719    4738.2137 
+     350    14.497923    50.092405            0    71.833853    143.39356    4738.2137 
+     400    12.228079    50.202361            0    68.539894    131.75614    4738.2137 
+     450     14.01349    50.908526            0    71.923506    144.25732    4738.2137 
+     500    13.277341    50.381613            0    70.292644    137.20282    4738.2137 
+Loop time of 6.17838 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 41185.531 tau/day, 95.337 timesteps/s
-98.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 34960.628 tau/day, 80.927 timesteps/s
+93.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.64469    | 1.5898     | 2.5249     |  68.8 | 30.31
-Kspace  | 0.63052    | 2.3872     | 3.9848     |  97.6 | 45.52
-Neigh   | 0.2153     | 0.986      | 1.9625     |  76.8 | 18.80
-Comm    | 0.094079   | 0.25333    | 0.3749     |  23.9 |  4.83
-Output  | 0.0002811  | 0.00035048 | 0.00040078 |   0.3 |  0.01
-Modify  | 0.013268   | 0.016651   | 0.021077   |   2.6 |  0.32
-Other   |            | 0.01122    |            |       |  0.21
+Pair    | 0.74813    | 1.6453     | 2.5052     |  65.7 | 26.63
+Kspace  | 1.036      | 2.9098     | 4.5974     |  94.8 | 47.10
+Neigh   | 0.27464    | 1.2099     | 2.4155     |  84.8 | 19.58
+Comm    | 0.1711     | 0.36843    | 0.5217     |  25.2 |  5.96
+Output  | 0.00052595 | 0.0053349  | 0.0074508  |   3.8 |  0.09
+Modify  | 0.023363   | 0.027308   | 0.032521   |   2.3 |  0.44
+Other   |            | 0.01228    |            |       |  0.20
 
-Nlocal:    1000 ave 2010 max 228 min
+Nlocal:    1000 ave 2002 max 241 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    7559.75 ave 9255 max 5915 min
+Nghost:    7608 ave 9312 max 5850 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
-Neighs:    127415 ave 215720 max 45292 min
+Neighs:    127345 ave 211903 max 47616 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
 
-Total # of neighbors = 509660
-Ave neighs/atom = 127.415
+Total # of neighbors = 509381
+Ave neighs/atom = 127.345
 Neighbor list builds = 124
 Dangerous builds = 97
-Total wall time: 0:00:05
+Total wall time: 0:00:06
diff --git a/examples/balance/log.27Nov18.balance.neigh.dynamic.g++.2 b/examples/balance/log.27Nov18.balance.neigh.dynamic.g++.2
new file mode 100644
index 0000000000..aef8d90889
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.neigh.dynamic.g++.2
@@ -0,0 +1,228 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000553608 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mp4 c_p type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 amap 0.0 2.0 cf 0.1 3 min blue 0.5 green max red
+
+thermo		50
+run		500
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+Per MPI rank memory allocation (min/avg/max) = 4.562 | 4.753 | 4.944 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873    4738.2137 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976    4738.2137 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+Loop time of 3.92718 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 55001.290 tau/day, 127.318 timesteps/s
+99.2% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2902     | 2.6102     | 2.9303     |  19.8 | 66.47
+Neigh   | 0.89715    | 0.89718    | 0.8972     |   0.0 | 22.85
+Comm    | 0.074355   | 0.39408    | 0.7138     |  50.9 | 10.03
+Output  | 0.0003202  | 0.00035989 | 0.00039959 |   0.0 |  0.01
+Modify  | 0.016438   | 0.016832   | 0.017226   |   0.3 |  0.43
+Other   |            | 0.008523   |            |       |  0.22
+
+Nlocal:    2000 ave 2056 max 1944 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10457.5 ave 10508 max 10407 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298070 ave 333007 max 263132 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596139
+Ave neighs/atom = 149.035
+Neighbor list builds = 51
+Dangerous builds = 0
+run		500
+Per MPI rank memory allocation (min/avg/max) = 4.569 | 4.758 | 4.946 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236    4738.2137 
+     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637    4738.2137 
+     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342    4738.2137 
+     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108    4738.2137 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523    4738.2137 
+     800    0.5520987   -6.2739184            0   -5.4459774   -2.0084991    4738.2137 
+     850   0.54963958   -6.2702473            0    -5.445994   -1.9740031    4738.2137 
+     900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871    4738.2137 
+     950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417    4738.2137 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+Loop time of 3.83028 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 56392.741 tau/day, 130.539 timesteps/s
+99.6% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.263      | 2.5605     | 2.858      |  18.6 | 66.85
+Neigh   | 0.8789     | 0.88341    | 0.88791    |   0.5 | 23.06
+Comm    | 0.068052   | 0.36076    | 0.65347    |  48.7 |  9.42
+Output  | 0.0003016  | 0.0003438  | 0.000386   |   0.0 |  0.01
+Modify  | 0.016381   | 0.016829   | 0.017277   |   0.3 |  0.44
+Other   |            | 0.008426   |            |       |  0.22
+
+Nlocal:    2000 ave 2049 max 1951 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10389 ave 10436 max 10342 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    300836 ave 335987 max 265684 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 601671
+Ave neighs/atom = 150.418
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.569 | 4.758 | 4.946 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
+    1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895    4738.2137 
+    1100   0.54325667   -6.2612166            0   -5.4465353   -1.8870463    4738.2137 
+    1150   0.55057583   -6.2719187            0   -5.4462614   -1.9575881    4738.2137 
+    1200   0.53728175    -6.251744            0   -5.4460228   -1.8124097    4738.2137 
+    1250   0.54077561   -6.2567544            0   -5.4457938   -1.8418134    4738.2137 
+    1300   0.54430333    -6.260995            0   -5.4447442    -1.856351    4738.2137 
+    1350   0.55097839   -6.2715909            0   -5.4453299   -1.9014337    4738.2137 
+    1400   0.53858139   -6.2526781            0    -5.445008   -1.7965773    4738.2137 
+    1450    0.5421844   -6.2574683            0    -5.444395   -1.7901189    4738.2137 
+    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000344    4738.2137 
+Loop time of 3.81946 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 56552.445 tau/day, 130.908 timesteps/s
+99.6% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2594     | 2.5549     | 2.8504     |  18.5 | 66.89
+Neigh   | 0.86746    | 0.87203    | 0.8766     |   0.5 | 22.83
+Comm    | 0.06715    | 0.36699    | 0.66684    |  49.5 |  9.61
+Output  | 0.00029325 | 0.00033867 | 0.00038409 |   0.0 |  0.01
+Modify  | 0.016529   | 0.016817   | 0.017105   |   0.2 |  0.44
+Other   |            | 0.008371   |            |       |  0.22
+
+Nlocal:    2000 ave 2034 max 1966 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10386 ave 10936 max 9836 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    302958 ave 337188 max 268729 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 605917
+Ave neighs/atom = 151.479
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.569 | 4.758 | 4.946 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000344    4738.2137 
+    1550   0.53713593   -6.2504069            0   -5.4449044    -1.764709    4738.2137 
+    1600   0.54679556   -6.2646482            0   -5.4446599   -1.8115775    4738.2137 
+    1650   0.53806577   -6.2519006            0   -5.4450037   -1.7409142    4738.2137 
+    1700    0.5347951   -6.2468962            0   -5.4449041   -1.7162331    4738.2137 
+    1750   0.53714568   -6.2506577            0   -5.4451406   -1.7340499    4738.2137 
+    1800   0.52749839   -6.2358664            0   -5.4448167   -1.6874961    4738.2137 
+    1850   0.54585956   -6.2629394            0   -5.4443547   -1.7758764    4738.2137 
+    1900   0.53010831   -6.2387561            0   -5.4437925   -1.6381825    4738.2137 
+    1950   0.54288557   -6.2583073            0   -5.4441826   -1.7368524    4738.2137 
+    2000   0.52765923   -6.2348572            0   -5.4435663   -1.5588839    4738.2137 
+Loop time of 3.78423 on 2 procs for 500 steps with 4000 atoms
+
+Performance: 57078.976 tau/day, 132.127 timesteps/s
+99.4% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2449     | 2.5388     | 2.8328     |  18.4 | 67.09
+Neigh   | 0.85527    | 0.85828    | 0.86129    |   0.3 | 22.68
+Comm    | 0.065453   | 0.36215    | 0.65885    |  49.3 |  9.57
+Output  | 0.00030518 | 0.00032794 | 0.00035071 |   0.0 |  0.01
+Modify  | 0.016444   | 0.016597   | 0.01675    |   0.1 |  0.44
+Other   |            | 0.008044   |            |       |  0.21
+
+Nlocal:    2000 ave 2031 max 1969 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10334 ave 10921 max 9747 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    303988 ave 338808 max 269168 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 607976
+Ave neighs/atom = 151.994
+Neighbor list builds = 51
+Dangerous builds = 0
+
+Total wall time: 0:00:15
diff --git a/examples/balance/log.5Oct16.balance.neigh.dynamic.g++.4 b/examples/balance/log.27Nov18.balance.neigh.dynamic.g++.4
similarity index 71%
rename from examples/balance/log.5Oct16.balance.neigh.dynamic.g++.4
rename to examples/balance/log.27Nov18.balance.neigh.dynamic.g++.4
index 979da10e6c..08a59785d4 100644
--- a/examples/balance/log.5Oct16.balance.neigh.dynamic.g++.4
+++ b/examples/balance/log.27Nov18.balance.neigh.dynamic.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000430107 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -51,14 +53,19 @@ fix		1 all nve
 thermo		50
 run		500
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
-Memory usage per processor = 3.0442 Mbytes
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+Per MPI rank memory allocation (min/avg/max) = 3.691 | 4.072 | 4.454 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
@@ -71,20 +78,20 @@ Step Temp E_pair E_mol TotEng Press Volume
      400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
      450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 2.30888 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.45924 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 93551.974 tau/day, 216.555 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 87831.985 tau/day, 203.315 timesteps/s
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.0928     | 1.4128     | 1.6873     |  21.3 | 61.19
-Neigh   | 0.26037    | 0.38342    | 0.55053    |  20.2 | 16.61
-Comm    | 0.33912    | 0.49342    | 0.644      |  18.3 | 21.37
-Output  | 0.00029206 | 0.00033247 | 0.00037789 |   0.2 |  0.01
-Modify  | 0.0062437  | 0.0082552  | 0.010971   |   2.2 |  0.36
-Other   |            | 0.01067    |            |       |  0.46
+Pair    | 1.1372     | 1.4179     | 1.6656     |  18.1 | 57.66
+Neigh   | 0.30681    | 0.46841    | 0.69372    |  24.1 | 19.05
+Comm    | 0.46019    | 0.55206    | 0.6052     |   7.7 | 22.45
+Output  | 0.00034404 | 0.0005753  | 0.001132   |   0.0 |  0.02
+Modify  | 0.007339   | 0.0099927  | 0.013719   |   2.7 |  0.41
+Other   |            | 0.01029    |            |       |  0.42
 
 Nlocal:    1000 ave 1549 max 605 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
@@ -98,7 +105,7 @@ Ave neighs/atom = 149.308
 Neighbor list builds = 50
 Dangerous builds = 0
 run		500
-Memory usage per processor = 3.06519 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.097 | 4.288 | 4.475 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
      550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834    4738.2137 
@@ -111,20 +118,20 @@ Step Temp E_pair E_mol TotEng Press Volume
      900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
      950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
-Loop time of 2.16949 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.389 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 99562.401 tau/day, 230.469 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 90414.542 tau/day, 209.293 timesteps/s
+97.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1466     | 1.3644     | 1.5476     |  15.2 | 62.89
-Neigh   | 0.25492    | 0.38744    | 0.57253    |  22.1 | 17.86
-Comm    | 0.34836    | 0.39805    | 0.45037    |   6.7 | 18.35
-Output  | 0.00028539 | 0.00031531 | 0.00037646 |   0.2 |  0.01
-Modify  | 0.0060055  | 0.008239   | 0.011282   |   2.5 |  0.38
-Other   |            | 0.01107    |            |       |  0.51
+Pair    | 1.2112     | 1.381      | 1.5214     |  11.0 | 57.81
+Neigh   | 0.29746    | 0.48382    | 0.74669    |  27.5 | 20.25
+Comm    | 0.40449    | 0.50032    | 0.57922    |   9.4 | 20.94
+Output  | 0.00033617 | 0.00064272 | 0.0013907  |   0.0 |  0.03
+Modify  | 0.0070128  | 0.010942   | 0.015494   |   3.7 |  0.46
+Other   |            | 0.01223    |            |       |  0.51
 
 Nlocal:    1000 ave 1569 max 595 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
@@ -138,7 +145,7 @@ Ave neighs/atom = 150.169
 Neighbor list builds = 53
 Dangerous builds = 0
 run             500
-Memory usage per processor = 3.06519 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.097 | 4.288 | 4.475 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
     1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
@@ -151,20 +158,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     1400   0.53726924   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
     1450   0.54525935   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
     1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
-Loop time of 2.17283 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.45895 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 99409.423 tau/day, 230.114 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 87842.291 tau/day, 203.339 timesteps/s
+95.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1581     | 1.3768     | 1.574      |  15.8 | 63.37
-Neigh   | 0.24753    | 0.3727     | 0.54533    |  21.2 | 17.15
-Comm    | 0.33306    | 0.40373    | 0.47481    |   9.3 | 18.58
-Output  | 0.00036979 | 0.0003832  | 0.00039721 |   0.0 |  0.02
-Modify  | 0.0059896  | 0.0082257  | 0.011168   |   2.5 |  0.38
-Other   |            | 0.01095    |            |       |  0.50
+Pair    | 1.2592     | 1.4017     | 1.5327     |  11.0 | 57.01
+Neigh   | 0.28831    | 0.47661    | 0.75988    |  28.7 | 19.38
+Comm    | 0.41426    | 0.54907    | 0.6044     |  10.6 | 22.33
+Output  | 0.0003705  | 0.00060898 | 0.0012109  |   0.0 |  0.02
+Modify  | 0.014004   | 0.016774   | 0.020669   |   1.9 |  0.68
+Other   |            | 0.01415    |            |       |  0.58
 
 Nlocal:    1000 ave 1543 max 605 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
@@ -178,7 +185,7 @@ Ave neighs/atom = 150.494
 Neighbor list builds = 51
 Dangerous builds = 0
 run             500
-Memory usage per processor = 3.06519 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.097 | 4.288 | 4.475 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
     1500   0.54223346   -6.2591057            0   -5.4459588   -1.8866985    4738.2137 
     1550   0.55327018   -6.2750126            0   -5.4453148   -1.9506585    4738.2137 
@@ -191,20 +198,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     1900   0.53992511    -6.254136            0   -5.4444508   -1.7768715    4738.2137 
     1950   0.54665895   -6.2640958            0   -5.4443124   -1.7946993    4738.2137 
     2000    0.5455751   -6.2625337            0   -5.4443756   -1.8072242    4738.2137 
-Loop time of 2.20474 on 4 procs for 500 steps with 4000 atoms
+Loop time of 2.42708 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 97970.946 tau/day, 226.785 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 88995.678 tau/day, 206.009 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1731     | 1.3783     | 1.5498     |  14.7 | 62.51
-Neigh   | 0.26429    | 0.40654    | 0.59777    |  22.6 | 18.44
-Comm    | 0.36731    | 0.40043    | 0.44935    |   5.2 | 18.16
-Output  | 0.00030565 | 0.00033122 | 0.00039625 |   0.2 |  0.02
-Modify  | 0.0059974  | 0.008266   | 0.01132    |   2.6 |  0.37
-Other   |            | 0.01088    |            |       |  0.49
+Pair    | 1.2482     | 1.3902     | 1.5329     |  10.6 | 57.28
+Neigh   | 0.31099    | 0.50813    | 0.78451    |  28.1 | 20.94
+Comm    | 0.37293    | 0.5011     | 0.58684    |  11.2 | 20.65
+Output  | 0.00033593 | 0.00060582 | 0.0012991  |   0.0 |  0.02
+Modify  | 0.007091   | 0.0097566  | 0.013303   |   2.7 |  0.40
+Other   |            | 0.01727    |            |       |  0.71
 
 Nlocal:    1000 ave 1539 max 607 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
@@ -218,4 +225,4 @@ Ave neighs/atom = 151.655
 Neighbor list builds = 56
 Dangerous builds = 0
 
-Total wall time: 0:00:08
+Total wall time: 0:00:09
diff --git a/examples/balance/log.27Nov18.balance.neigh.rcb.g++.2 b/examples/balance/log.27Nov18.balance.neigh.rcb.g++.2
new file mode 100644
index 0000000000..42b04f818c
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.neigh.rcb.g++.2
@@ -0,0 +1,141 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000511885 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+comm_style	tiled
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+fix		0 all balance 50 1.0 rcb weight neigh 0.8 weight store WEIGHT
+compute		p all property/atom d_WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+
+run		250
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+Per MPI rank memory allocation (min/avg/max) = 4.138 | 4.329 | 4.52 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+Loop time of 1.80309 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 59897.213 tau/day, 138.651 timesteps/s
+97.9% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2185     | 1.2646     | 1.3106     |   4.1 | 70.13
+Neigh   | 0.43131    | 0.43248    | 0.43365    |   0.2 | 23.99
+Comm    | 0.045418   | 0.090311   | 0.1352     |  14.9 |  5.01
+Output  | 0.00017476 | 0.00021195 | 0.00024915 |   0.0 |  0.01
+Modify  | 0.011012   | 0.01103    | 0.011048   |   0.0 |  0.61
+Other   |            | 0.004476   |            |       |  0.25
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 2 0 0 0 0 0 0 0 0 0
+Nghost:    10412.5 ave 10414 max 10411 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298332 ave 299797 max 296867 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596664
+Ave neighs/atom = 149.166
+Neighbor list builds = 25
+Dangerous builds = 0
+run             250
+Per MPI rank memory allocation (min/avg/max) = 4.929 | 4.929 | 4.93 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873    4738.2137 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976    4738.2137 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
+Loop time of 1.77097 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 60983.669 tau/day, 141.166 timesteps/s
+99.4% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2353     | 1.2515     | 1.2678     |   1.5 | 70.67
+Neigh   | 0.44235    | 0.44303    | 0.44371    |   0.1 | 25.02
+Comm    | 0.045978   | 0.061555   | 0.077133   |   6.3 |  3.48
+Output  | 0.0001564  | 0.00016713 | 0.00017786 |   0.0 |  0.01
+Modify  | 0.010305   | 0.01031    | 0.010315   |   0.0 |  0.58
+Other   |            | 0.004365   |            |       |  0.25
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 2 0 0 0 0 0 0 0 0 0
+Nghost:    10466.5 ave 10470 max 10463 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    298070 ave 349236 max 246903 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 596139
+Ave neighs/atom = 149.035
+Neighbor list builds = 26
+Dangerous builds = 0
+
+Total wall time: 0:00:03
diff --git a/examples/balance/log.5Oct16.balance.neigh.rcb.g++.4 b/examples/balance/log.27Nov18.balance.neigh.rcb.g++.4
similarity index 60%
rename from examples/balance/log.5Oct16.balance.neigh.rcb.g++.4
rename to examples/balance/log.27Nov18.balance.neigh.rcb.g++.4
index 0ab49c229f..4a2a747773 100644
--- a/examples/balance/log.5Oct16.balance.neigh.rcb.g++.4
+++ b/examples/balance/log.27Nov18.balance.neigh.rcb.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000440836 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -54,14 +56,19 @@ thermo		50
 
 run		250
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
-Memory usage per processor = 2.90262 Mbytes
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+Per MPI rank memory allocation (min/avg/max) = 3.917 | 3.927 | 3.945 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
@@ -69,34 +76,34 @@ Step Temp E_pair E_mol TotEng Press Volume
      150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
      200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
-Loop time of 0.956315 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.0693 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 112933.523 tau/day, 261.420 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 101000.295 tau/day, 233.797 timesteps/s
+89.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.5859     | 0.6311     | 0.66986    |   4.1 | 65.99
-Neigh   | 0.16996    | 0.18014    | 0.19678    |   2.4 | 18.84
-Comm    | 0.078254   | 0.13416    | 0.18229    |  10.9 | 14.03
-Output  | 0.00025582 | 0.0002594  | 0.00026608 |   0.0 |  0.03
-Modify  | 0.0051248  | 0.0054137  | 0.0057077  |   0.3 |  0.57
-Other   |            | 0.005242   |            |       |  0.55
+Pair    | 0.58255    | 0.65493    | 0.72281    |   8.3 | 61.25
+Neigh   | 0.214      | 0.22344    | 0.23158    |   1.4 | 20.90
+Comm    | 0.10451    | 0.17801    | 0.25967    |  17.3 | 16.65
+Output  | 0.00015521 | 0.00020903 | 0.00034142 |   0.0 |  0.02
+Modify  | 0.007113   | 0.0073407  | 0.0076027  |   0.2 |  0.69
+Other   |            | 0.005369   |            |       |  0.50
 
-Nlocal:    1000 ave 1103 max 932 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Nghost:    7617 ave 7871 max 7360 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Neighs:    149349 ave 169737 max 137211 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
+Nlocal:    1000 ave 1005 max 996 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    7674 ave 7679 max 7670 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Neighs:    149349 ave 149991 max 147960 min
+Histogram: 1 0 0 0 0 0 0 1 0 2
 
 Total # of neighbors = 597396
 Ave neighs/atom = 149.349
 Neighbor list builds = 25
 Dangerous builds = 0
 run             250
-Memory usage per processor = 2.90266 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.922 | 4.004 | 4.078 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
      300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
@@ -104,31 +111,31 @@ Step Temp E_pair E_mol TotEng Press Volume
      400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
      450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
-Loop time of 0.97826 on 4 procs for 250 steps with 4000 atoms
+Loop time of 0.999028 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 110400.094 tau/day, 255.556 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 108105.088 tau/day, 250.243 timesteps/s
+93.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.62013    | 0.63258    | 0.63864    |   0.9 | 64.66
-Neigh   | 0.17712    | 0.18068    | 0.18788    |   1.0 | 18.47
-Comm    | 0.14206    | 0.15504    | 0.17108    |   2.7 | 15.85
-Output  | 0.00014997 | 0.00018102 | 0.000247   |   0.3 |  0.02
-Modify  | 0.0047612  | 0.0049355  | 0.0050402  |   0.1 |  0.50
-Other   |            | 0.004845   |            |       |  0.50
+Pair    | 0.60256    | 0.6507     | 0.68091    |   3.8 | 65.13
+Neigh   | 0.21602    | 0.21945    | 0.22516    |   0.8 | 21.97
+Comm    | 0.087366   | 0.11787    | 0.16957    |   9.6 | 11.80
+Output  | 0.00016737 | 0.00028127 | 0.00057006 |   0.0 |  0.03
+Modify  | 0.0065138  | 0.0066211  | 0.0067828  |   0.1 |  0.66
+Other   |            | 0.004103   |            |       |  0.41
 
-Nlocal:    1000 ave 1003 max 997 min
+Nlocal:    1000 ave 1005 max 994 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    7675.75 ave 7703 max 7648 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    7662.75 ave 7668 max 7656 min
-Histogram: 1 0 0 0 1 0 0 0 1 1
-Neighs:    149308 ave 151009 max 146887 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
+Neighs:    149308 ave 173909 max 124842 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
 
 Total # of neighbors = 597231
 Ave neighs/atom = 149.308
 Neighbor list builds = 25
 Dangerous builds = 0
 
-Total wall time: 0:00:01
+Total wall time: 0:00:02
diff --git a/examples/balance/log.27Nov18.balance.neigh.static.g++.2 b/examples/balance/log.27Nov18.balance.neigh.static.g++.2
new file mode 100644
index 0000000000..de3aae921c
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.neigh.static.g++.2
@@ -0,0 +1,211 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+variable	factor index 1.0
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  2 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000495195 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+  rebalancing time: 0.000623703 seconds
+  iteration count = 1
+  neigh weight factor: 0.8
+  initial/final max load/proc = 2000 2000
+  initial/final imbalance factor = 1 1
+  x cuts: 0 0.5 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250 post no
+Per MPI rank memory allocation (min/avg/max) = 4.297 | 4.488 | 4.678 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358 
+      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039 
+     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885 
+     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162 
+     200     0.536665   -6.2530113            0    -5.448215    -1.933468 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
+Loop time of 1.97176 on 2 procs for 250 steps with 4000 atoms
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+  rebalancing time: 0.000482321 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  initial/final max load/proc = 290759 262123
+  initial/final imbalance factor = 1.10982 1.00052
+  x cuts: 0 0.45166 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250 post no
+Per MPI rank memory allocation (min/avg/max) = 4.304 | 4.492 | 4.681 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
+     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873 
+     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976 
+     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248 
+     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
+Loop time of 1.77716 on 2 procs for 250 steps with 4000 atoms
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8
+  rebalancing time: 0.000497341 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  initial/final max load/proc = 296648 269016
+  initial/final imbalance factor = 1.10642 1.00336
+  x cuts: 0 0.501461 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250 post no
+Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
+     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236 
+     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637 
+     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342 
+     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523 
+Loop time of 2.0039 on 2 procs for 250 steps with 4000 atoms
+
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+  rebalancing time: 0.000368118 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  time weight factor: 0.6
+  initial/final max load/proc = 168.493 167.093
+  initial/final imbalance factor = 1.00948 1.00109
+  x cuts: 0 0.499991 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250
+Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523 
+     800    0.5520987   -6.2739184            0   -5.4459774   -2.0084991 
+     850   0.54963958   -6.2702473            0    -5.445994   -1.9740031 
+     900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871 
+     950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624 
+Loop time of 2.0382 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 52987.998 tau/day, 122.657 timesteps/s
+98.9% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.96918    | 1.257      | 1.5449     |  25.7 | 61.67
+Neigh   | 0.40421    | 0.42672    | 0.44923    |   3.4 | 20.94
+Comm    | 0.032542   | 0.34306    | 0.65358    |  53.0 | 16.83
+Output  | 0.00014377 | 0.00015366 | 0.00016356 |   0.0 |  0.01
+Modify  | 0.0070617  | 0.007337   | 0.0076122  |   0.3 |  0.36
+Other   |            | 0.003878   |            |       |  0.19
+
+Nlocal:    2000 ave 2056 max 1944 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10403.5 ave 10525 max 10282 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    300836 ave 365656 max 236015 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 601671
+Ave neighs/atom = 150.418
+Neighbor list builds = 25
+Dangerous builds = 0
+balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
+  rebalancing time: 0.000344753 seconds
+  iteration count = 10
+  neigh weight factor: 0.8
+  time weight factor: 0.6
+  initial/final max load/proc = 170.235 168.809
+  initial/final imbalance factor = 1.01037 1.00191
+  x cuts: 0 0.49755 1
+  y cuts: 0 1
+  z cuts: 0 1
+run             250
+Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624 
+    1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895 
+    1100   0.54325667   -6.2612166            0   -5.4465353   -1.8870463 
+    1150   0.55057583   -6.2719187            0   -5.4462614   -1.9575881 
+    1200   0.53728175    -6.251744            0   -5.4460228   -1.8124097 
+    1250   0.54077561   -6.2567544            0   -5.4457938   -1.8418134 
+Loop time of 2.01086 on 2 procs for 250 steps with 4000 atoms
+
+Performance: 53708.387 tau/day, 124.325 timesteps/s
+98.9% CPU use with 2 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.0037     | 1.2615     | 1.5192     |  23.0 | 62.73
+Neigh   | 0.40846    | 0.4277     | 0.44695    |   2.9 | 21.27
+Comm    | 0.033029   | 0.31012    | 0.5872     |  49.8 | 15.42
+Output  | 0.00014424 | 0.00015259 | 0.00016093 |   0.0 |  0.01
+Modify  | 0.007298   | 0.0074347  | 0.0075715  |   0.2 |  0.37
+Other   |            | 0.003999   |            |       |  0.20
+
+Nlocal:    2000 ave 2038 max 1962 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Nghost:    10391 ave 10489 max 10293 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+Neighs:    301104 ave 358264 max 243943 min
+Histogram: 1 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 602207
+Ave neighs/atom = 150.552
+Neighbor list builds = 25
+Dangerous builds = 0
+
+Total wall time: 0:00:09
diff --git a/examples/balance/log.5Oct16.balance.neigh.static.g++.4 b/examples/balance/log.27Nov18.balance.neigh.static.g++.4
similarity index 64%
rename from examples/balance/log.5Oct16.balance.neigh.static.g++.4
rename to examples/balance/log.27Nov18.balance.neigh.static.g++.4
index 0e9550ceb5..3a9ab43cb1 100644
--- a/examples/balance/log.5Oct16.balance.neigh.static.g++.4
+++ b/examples/balance/log.27Nov18.balance.neigh.static.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000429153 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -32,14 +34,19 @@ neigh_modify	every 2 delay 4 check yes
 
 balance		1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
-  rebalancing time: 0.00039506 seconds
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+WARNING: Balance weight neigh skipped b/c no list found (src/imbalance_neigh.cpp:65)
+  rebalancing time: 0.000684023 seconds
   iteration count = 3
   neigh weight factor: 0.8
   initial/final max load/proc = 1200 1000
@@ -60,7 +67,7 @@ fix		1 all nve
 
 thermo		50
 run		250 post no
-Memory usage per processor = 2.77892 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.426 | 3.802 | 4.188 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            1   -6.9453205            0   -5.4456955   -5.6812358 
       50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778 
@@ -68,11 +75,10 @@ Step Temp E_pair E_mol TotEng Press
      150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568 
      200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
-Loop time of 1.41104 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.44749 on 4 procs for 250 steps with 4000 atoms
 
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8
-  rebalancing time: 0.000409126 seconds
+  rebalancing time: 0.000543356 seconds
   iteration count = 10
   neigh weight factor: 0.8
   initial/final max load/proc = 220132 125739
@@ -81,7 +87,7 @@ balance		1.0 shift x 10 1.0 weight neigh 0.8
   y cuts: 0 1
   z cuts: 0 1
 run             250 post no
-Memory usage per processor = 2.78273 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.814 | 3.999 | 4.192 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995 
      300    0.5477618   -6.2678071            0   -5.4463698    -1.997842 
@@ -89,11 +95,10 @@ Step Temp E_pair E_mol TotEng Press
      400   0.53241503   -6.2453665            0   -5.4469436    -1.878594 
      450    0.5439158      -6.2623            0   -5.4466302   -1.9744161 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
-Loop time of 1.06236 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.19834 on 4 procs for 250 steps with 4000 atoms
 
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8
-  rebalancing time: 0.000265121 seconds
+  rebalancing time: 0.000308752 seconds
   iteration count = 10
   neigh weight factor: 0.8
   initial/final max load/proc = 147109 128929
@@ -102,7 +107,7 @@ balance		1.0 shift x 10 1.0 weight neigh 0.8
   y cuts: 0 1
   z cuts: 0 1
 run             250 post no
-Memory usage per processor = 2.7999 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.018 | 4.209 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015 
      550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834 
@@ -110,21 +115,20 @@ Step Temp E_pair E_mol TotEng Press
      650   0.54526651    -6.265098            0   -5.4474027   -2.0303672 
      700   0.54369381    -6.263201            0   -5.4478642   -1.9921967 
      750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
-Loop time of 1.02794 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.23246 on 4 procs for 250 steps with 4000 atoms
 
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
 balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
-  rebalancing time: 0.000314951 seconds
+  rebalancing time: 0.000306845 seconds
   iteration count = 10
   neigh weight factor: 0.8
   time weight factor: 0.6
-  initial/final max load/proc = 109.37 93.2369
-  initial/final imbalance factor = 1.17599 1.00252
-  x cuts: 0 0.31323 0.448651 0.560211 1
+  initial/final max load/proc = 114.116 101.665
+  initial/final imbalance factor = 1.12567 1.00285
+  x cuts: 0 0.30983 0.449501 0.588031 1
   y cuts: 0 1
   z cuts: 0 1
 run             250
-Memory usage per processor = 2.7999 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.018 | 4.209 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675 
      800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922 
@@ -132,44 +136,44 @@ Step Temp E_pair E_mol TotEng Press
      900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122 
      950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
-Loop time of 1.0482 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.13265 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 103033.455 tau/day, 238.503 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 95351.673 tau/day, 220.721 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.59706    | 0.65768    | 0.71098    |   5.8 | 62.74
-Neigh   | 0.094988   | 0.17834    | 0.28455    |  19.8 | 17.01
-Comm    | 0.057361   | 0.20341    | 0.34531    |  28.7 | 19.41
-Output  | 0.00013709 | 0.00020045 | 0.0002768  |   0.4 |  0.02
-Modify  | 0.0016088  | 0.0032223  | 0.0052993  |   2.8 |  0.31
-Other   |            | 0.005343   |            |       |  0.51
+Pair    | 0.64092    | 0.67347    | 0.70289    |   3.5 | 59.46
+Neigh   | 0.11654    | 0.22172    | 0.35287    |  22.2 | 19.58
+Comm    | 0.068215   | 0.22827    | 0.36221    |  28.0 | 20.15
+Output  | 0.00016975 | 0.00031555 | 0.00065875 |   0.0 |  0.03
+Modify  | 0.00214    | 0.004007   | 0.0062947  |   3.0 |  0.35
+Other   |            | 0.004862   |            |       |  0.43
 
-Nlocal:    1000 ave 1684 max 506 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    8706.25 ave 10207 max 7655 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-Neighs:    150170 ave 163204 max 140236 min
+Nlocal:    1000 ave 1651 max 529 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    8692.5 ave 9709 max 8037 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    150170 ave 154877 max 145634 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
 
 Total # of neighbors = 600681
 Ave neighs/atom = 150.17
 Neighbor list builds = 25
 Dangerous builds = 0
 balance		1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
-  rebalancing time: 0.000258207 seconds
+  rebalancing time: 0.000319719 seconds
   iteration count = 10
   neigh weight factor: 0.8
   time weight factor: 0.6
-  initial/final max load/proc = 96.6033 94.7484
-  initial/final imbalance factor = 1.0231 1.00345
-  x cuts: 0 0.315478 0.450068 0.579538 1
+  initial/final max load/proc = 102.192 99.2749
+  initial/final imbalance factor = 1.03206 1.0026
+  x cuts: 0 0.312695 0.449907 0.587625 1
   y cuts: 0 1
   z cuts: 0 1
 run             250
-Memory usage per processor = 2.7999 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.832 | 4.019 | 4.209 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466 
     1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821 
@@ -177,31 +181,31 @@ Step Temp E_pair E_mol TotEng Press
     1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678 
     1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178 
     1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797 
-Loop time of 1.02694 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.16447 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 105166.691 tau/day, 243.441 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 92745.661 tau/day, 214.689 timesteps/s
+97.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.6025     | 0.64932    | 0.70125    |   5.6 | 63.23
-Neigh   | 0.093299   | 0.17549    | 0.27782    |  19.3 | 17.09
-Comm    | 0.05188    | 0.19352    | 0.31909    |  28.5 | 18.84
-Output  | 0.00022793 | 0.00024354 | 0.00027609 |   0.1 |  0.02
-Modify  | 0.0016394  | 0.0032356  | 0.0052338  |   2.8 |  0.32
-Other   |            | 0.005129   |            |       |  0.50
+Pair    | 0.61612    | 0.67903    | 0.73112    |   5.1 | 58.31
+Neigh   | 0.11722    | 0.22257    | 0.35236    |  22.3 | 19.11
+Comm    | 0.099441   | 0.25198    | 0.42338    |  28.4 | 21.64
+Output  | 0.00018501 | 0.0012686  | 0.0040495  |   4.5 |  0.11
+Modify  | 0.0020952  | 0.0044899  | 0.0086782  |   4.0 |  0.39
+Other   |            | 0.005134   |            |       |  0.44
 
-Nlocal:    1000 ave 1659 max 494 min
+Nlocal:    1000 ave 1631 max 523 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    8646.75 ave 9782 max 7837 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-Neighs:    149995 ave 165511 max 134186 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    8693.75 ave 9752 max 8002 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    149995 ave 161500 max 141963 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
 
 Total # of neighbors = 599979
 Ave neighs/atom = 149.995
 Neighbor list builds = 25
 Dangerous builds = 0
 
-Total wall time: 0:00:05
+Total wall time: 0:00:06
diff --git a/examples/balance/log.5Oct16.balance.var.dynamic.g++.2 b/examples/balance/log.27Nov18.balance.var.dynamic.g++.2
similarity index 61%
rename from examples/balance/log.5Oct16.balance.var.dynamic.g++.2
rename to examples/balance/log.27Nov18.balance.var.dynamic.g++.2
index 8015823c6d..c488a725e0 100644
--- a/examples/balance/log.5Oct16.balance.var.dynamic.g++.2
+++ b/examples/balance/log.27Nov18.balance.var.dynamic.g++.2
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   2 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000491142 secs
 mass		* 1.0
 
 region		long block 3 6 0 10 0 10
@@ -36,13 +38,18 @@ group		slow type 2
 1400 atoms in group slow
 balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
 Neighbor list info ...
-  1 neighbor list requests
   update every 2 steps, delay 4 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 7 7 7
-  rebalancing time: 0.001688 seconds
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.000805378 seconds
   iteration count = 10
   group weights: fast=0.8 slow=2.5
   storing weight in atom property d_WEIGHT
@@ -74,7 +81,7 @@ fix		1 all nve
 
 thermo		50
 run		500
-Memory usage per processor = 3.23652 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.708 | 4.876 | 5.044 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
       50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
@@ -87,26 +94,26 @@ Step Temp E_pair E_mol TotEng Press Volume
      400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
      450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
      500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
-Loop time of 4.87829 on 2 procs for 500 steps with 4000 atoms
+Loop time of 5.01752 on 2 procs for 500 steps with 4000 atoms
 
-Performance: 44277.854 tau/day, 102.495 timesteps/s
-99.2% CPU use with 2 MPI tasks x no OpenMP threads
+Performance: 43049.176 tau/day, 99.651 timesteps/s
+98.5% CPU use with 2 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.4978     | 2.6788     | 3.8597     |  72.2 | 54.91
-Neigh   | 0.6012     | 0.75888    | 0.91656    |  18.1 | 15.56
-Comm    | 0.073541   | 1.4134     | 2.7532     | 112.7 | 28.97
-Output  | 0.00026584 | 0.00027144 | 0.00027704 |   0.0 |  0.01
-Modify  | 0.013387   | 0.015078   | 0.01677    |   1.4 |  0.31
-Other   |            | 0.01191    |            |       |  0.24
+Pair    | 1.4325     | 2.6317     | 3.8309     |  73.9 | 52.45
+Neigh   | 0.72307    | 0.89995    | 1.0768     |  18.6 | 17.94
+Comm    | 0.08143    | 1.4587     | 2.836      | 114.0 | 29.07
+Output  | 0.00034356 | 0.00034773 | 0.00035191 |   0.0 |  0.01
+Modify  | 0.015713   | 0.017661   | 0.01961    |   1.5 |  0.35
+Other   |            | 0.009141   |            |       |  0.18
 
-Nlocal:    2000 ave 2452 max 1548 min
+Nlocal:    2000 ave 2500 max 1500 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    10456.5 ave 11082 max 9831 min
+Nghost:    10457 ave 11055 max 9859 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    298070 ave 470560 max 125579 min
+Neighs:    298070 ave 483758 max 112381 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
 
 Total # of neighbors = 596139
@@ -114,7 +121,7 @@ Ave neighs/atom = 149.035
 Neighbor list builds = 51
 Dangerous builds = 0
 run		500
-Memory usage per processor = 3.24422 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 5.092 | 5.269 | 5.445 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
      550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236    4738.2137 
@@ -127,26 +134,26 @@ Step Temp E_pair E_mol TotEng Press Volume
      900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871    4738.2137 
      950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417    4738.2137 
     1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
-Loop time of 5.11308 on 2 procs for 500 steps with 4000 atoms
+Loop time of 5.38962 on 2 procs for 500 steps with 4000 atoms
 
-Performance: 42244.620 tau/day, 97.788 timesteps/s
-98.9% CPU use with 2 MPI tasks x no OpenMP threads
+Performance: 40077.052 tau/day, 92.771 timesteps/s
+98.0% CPU use with 2 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.0421     | 2.5613     | 4.0806     |  94.9 | 50.09
-Neigh   | 0.51289    | 0.72321    | 0.93354    |  24.7 | 14.14
-Comm    | 0.069973   | 1.8016     | 3.5332     | 129.0 | 35.24
-Output  | 0.000283   | 0.00028694 | 0.00029087 |   0.0 |  0.01
-Modify  | 0.012173   | 0.015003   | 0.017834   |   2.3 |  0.29
-Other   |            | 0.01164    |            |       |  0.23
+Pair    | 0.93627    | 2.5477     | 4.1591     | 101.0 | 47.27
+Neigh   | 0.61458    | 0.87078    | 1.127      |  27.5 | 16.16
+Comm    | 0.072418   | 1.9424     | 3.8124     | 134.2 | 36.04
+Output  | 0.00034833 | 0.00035048 | 0.00035262 |   0.0 |  0.01
+Modify  | 0.014652   | 0.018169   | 0.021687   |   2.6 |  0.34
+Other   |            | 0.01024    |            |       |  0.19
 
-Nlocal:    2000 ave 2497 max 1503 min
+Nlocal:    2000 ave 2561 max 1439 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    10396.5 ave 10916 max 9877 min
+Nghost:    10257 ave 11109 max 9405 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    300836 ave 484375 max 117296 min
+Neighs:    300836 ave 498670 max 103001 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
 
 Total # of neighbors = 601671
@@ -155,20 +162,20 @@ Neighbor list builds = 51
 Dangerous builds = 0
 
 balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
-  rebalancing time: 0.000527143 seconds
+  rebalancing time: 0.000744104 seconds
   iteration count = 10
   group weights: fast=0.8 slow=2.5
   storing weight in atom property d_WEIGHT
-  initial/final max load/proc = 4318.1 2791.9
-  initial/final imbalance factor = 1.54771 1.00068
-  x cuts: 0 0.454292 1
+  initial/final max load/proc = 4428.8 2798.1
+  initial/final imbalance factor = 1.58738 1.0029
+  x cuts: 0 0.45485 1
   y cuts: 0 1
   z cuts: 0 1
 
 fix		0 all balance 50 1.0 shift x 5 1.0                 weight var lastweight weight neigh 0.5 weight store WEIGHT
 
 run             500
-Memory usage per processor = 3.24422 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 5.098 | 5.464 | 5.83 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
     1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
     1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895    4738.2137 
@@ -179,22 +186,22 @@ Step Temp E_pair E_mol TotEng Press Volume
     1300   0.54430333    -6.260995            0   -5.4447442    -1.856351    4738.2137 
     1350   0.55097839   -6.2715909            0   -5.4453299   -1.9014337    4738.2137 
     1400   0.53858139   -6.2526781            0    -5.445008   -1.7965773    4738.2137 
-    1450   0.54218439   -6.2574683            0    -5.444395   -1.7901188    4738.2137 
-    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
-Loop time of 5.31552 on 2 procs for 500 steps with 4000 atoms
+    1450   0.54218439   -6.2574683            0    -5.444395   -1.7901189    4738.2137 
+    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
+Loop time of 5.50675 on 2 procs for 500 steps with 4000 atoms
 
-Performance: 40635.746 tau/day, 94.064 timesteps/s
-98.8% CPU use with 2 MPI tasks x no OpenMP threads
+Performance: 39224.584 tau/day, 90.798 timesteps/s
+98.0% CPU use with 2 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.157      | 2.6457     | 4.1345     |  91.5 | 49.77
-Neigh   | 0.42836    | 0.74879    | 1.0692     |  37.0 | 14.09
-Comm    | 0.079503   | 1.8922     | 3.7049     | 131.8 | 35.60
-Output  | 0.000386   | 0.00045156 | 0.00051713 |   0.3 |  0.01
-Modify  | 0.010813   | 0.015272   | 0.019732   |   3.6 |  0.29
-Other   |            | 0.01305    |            |       |  0.25
+Pair    | 1.1091     | 2.6165     | 4.124      |  93.2 | 47.51
+Neigh   | 0.49666    | 0.88338    | 1.2701     |  41.1 | 16.04
+Comm    | 0.079062   | 1.9768     | 3.8745     | 135.0 | 35.90
+Output  | 0.00032926 | 0.00041151 | 0.00049376 |   0.0 |  0.01
+Modify  | 0.012776   | 0.018102   | 0.023428   |   4.0 |  0.33
+Other   |            | 0.01156    |            |       |  0.21
 
 Nlocal:    2000 ave 3010 max 990 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
@@ -208,43 +215,43 @@ Ave neighs/atom = 151.479
 Neighbor list builds = 51
 Dangerous builds = 0
 run             500
-Memory usage per processor = 3.26138 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 5.847 | 5.872 | 5.897 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
-    1500   0.54200617   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
+    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
     1550    0.5371361    -6.250403            0   -5.4449003   -1.7647032    4738.2137 
-    1600   0.54679572   -6.2646443            0   -5.4446558   -1.8115723    4738.2137 
-    1650    0.5380659   -6.2519009            0   -5.4450038   -1.7409149    4738.2137 
-    1700   0.53479444   -6.2469033            0   -5.4449122   -1.7162442    4738.2137 
-    1750   0.53714076   -6.2506512            0   -5.4451415   -1.7340198    4738.2137 
-    1800    0.5275053   -6.2358817            0   -5.4448216   -1.6875364    4738.2137 
-    1850   0.54585433   -6.2629377            0   -5.4443609   -1.7758622    4738.2137 
-    1900   0.53011157   -6.2387715            0   -5.4438029   -1.6382145    4738.2137 
-    1950   0.54287707   -6.2583052            0   -5.4441932   -1.7367502    4738.2137 
-    2000   0.52771203   -6.2349621            0    -5.443592   -1.5593714    4738.2137 
-Loop time of 5.52542 on 2 procs for 500 steps with 4000 atoms
+    1600   0.54679571   -6.2646443            0   -5.4446558   -1.8115722    4738.2137 
+    1650   0.53806587   -6.2519009            0   -5.4450039   -1.7409152    4738.2137 
+    1700   0.53479436   -6.2469032            0   -5.4449122   -1.7162441    4738.2137 
+    1750   0.53714071   -6.2506513            0   -5.4451416   -1.7340205    4738.2137 
+    1800   0.52750533   -6.2358819            0   -5.4448217    -1.687537    4738.2137 
+    1850   0.54585346    -6.262937            0   -5.4443615   -1.7758597    4738.2137 
+    1900   0.53011247   -6.2387653            0   -5.4437954   -1.6382086    4738.2137 
+    1950   0.54287683   -6.2583097            0   -5.4441981   -1.7367469    4738.2137 
+    2000   0.52771288   -6.2349676            0   -5.4435962   -1.5593804    4738.2137 
+Loop time of 5.80884 on 2 procs for 500 steps with 4000 atoms
 
-Performance: 39092.050 tau/day, 90.491 timesteps/s
-98.9% CPU use with 2 MPI tasks x no OpenMP threads
+Performance: 37184.695 tau/day, 86.076 timesteps/s
+97.7% CPU use with 2 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.71557    | 2.5165     | 4.3174     | 113.5 | 45.54
-Neigh   | 0.33034    | 0.71217    | 1.094      |  45.2 | 12.89
-Comm    | 0.079871   | 2.2671     | 4.4544     | 145.3 | 41.03
-Output  | 0.00027609 | 0.00034881 | 0.00042152 |   0.4 |  0.01
-Modify  | 0.0095153  | 0.015319   | 0.021122   |   4.7 |  0.28
-Other   |            | 0.01399    |            |       |  0.25
+Pair    | 0.71314    | 2.5435     | 4.3738     | 114.8 | 43.79
+Neigh   | 0.39935    | 0.85806    | 1.3168     |  49.5 | 14.77
+Comm    | 0.082629   | 2.3761     | 4.6695     | 148.8 | 40.90
+Output  | 0.00034571 | 0.00044024 | 0.00053477 |   0.0 |  0.01
+Modify  | 0.011643   | 0.018227   | 0.024811   |   4.9 |  0.31
+Other   |            | 0.01257    |            |       |  0.22
 
-Nlocal:    2000 ave 3030 max 970 min
+Nlocal:    2000 ave 3032 max 968 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    10272.5 ave 12222 max 8323 min
+Nghost:    10266 ave 12245 max 8287 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    303996 ave 524806 max 83185 min
+Neighs:    303998 ave 525128 max 82868 min
 Histogram: 1 0 0 0 0 0 0 0 0 1
 
-Total # of neighbors = 607991
-Ave neighs/atom = 151.998
+Total # of neighbors = 607996
+Ave neighs/atom = 151.999
 Neighbor list builds = 51
 Dangerous builds = 0
-Total wall time: 0:00:20
+Total wall time: 0:00:21
diff --git a/examples/balance/log.27Nov18.balance.var.dynamic.g++.4 b/examples/balance/log.27Nov18.balance.var.dynamic.g++.4
new file mode 100644
index 0000000000..66c1183481
--- /dev/null
+++ b/examples/balance/log.27Nov18.balance.var.dynamic.g++.4
@@ -0,0 +1,257 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+processors      * 1 1
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	3 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  4 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000424862 secs
+mass		* 1.0
+
+region		long block 3 6 0 10 0 10
+set             region long type 2
+  1400 settings made for type
+
+velocity	all create 1.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+pair_coeff      * 2 1.0 1.0 5.0
+
+neighbor	0.3 bin
+neigh_modify	every 2 delay 4 check yes
+fix		p all property/atom d_WEIGHT
+compute		p all property/atom d_WEIGHT
+
+group		fast type 1
+2600 atoms in group fast
+group		slow type 2
+1400 atoms in group slow
+balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.3
+  ghost atom cutoff = 5.3
+  binsize = 2.65, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  rebalancing time: 0.00115108 seconds
+  iteration count = 10
+  group weights: fast=0.8 slow=2.5
+  storing weight in atom property d_WEIGHT
+  initial/final max load/proc = 2160 1620
+  initial/final imbalance factor = 1.54839 1.16129
+  x cuts: 0 0.300049 0.449951 0.599854 1
+  y cuts: 0 1
+  z cuts: 0 1
+variable	lastweight atom c_p
+
+fix		0 all balance 50 1.0 shift x 10 1.0                 weight var lastweight weight time 0.5 weight store WEIGHT
+variable	maximb equal f_0[1]
+variable	iter   equal f_0[2]
+variable 	prev   equal f_0[3]
+variable	final  equal f_0
+
+#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"
+
+fix		1 all nve
+
+#dump		id all atom 50 dump.melt
+#dump		id all custom 50 dump.lammpstrj id type x y z c_p
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		500
+Per MPI rank memory allocation (min/avg/max) = 4.132 | 4.192 | 4.274 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
+      50   0.48653399   -6.1788509            0   -5.4492324   -1.6017778    4738.2137 
+     100   0.53411175    -6.249885            0   -5.4489177   -1.9317606    4738.2137 
+     150   0.53646658   -6.2527206            0   -5.4482219   -1.9689568    4738.2137 
+     200   0.54551611   -6.2656326            0   -5.4475631   -2.0042104    4738.2137 
+     250   0.54677719   -6.2671162            0   -5.4471555   -2.0015995    4738.2137 
+     300    0.5477618   -6.2678071            0   -5.4463698    -1.997842    4738.2137 
+     350   0.55600296   -6.2801497            0   -5.4463538   -2.0394056    4738.2137 
+     400   0.53241503   -6.2453665            0   -5.4469436    -1.878594    4738.2137 
+     450    0.5439158      -6.2623            0   -5.4466302   -1.9744161    4738.2137 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+Loop time of 2.66424 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 81073.650 tau/day, 187.670 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1083     | 1.3909     | 1.7318     |  24.2 | 52.21
+Neigh   | 0.19732    | 0.45425    | 0.7722     |  38.2 | 17.05
+Comm    | 0.24921    | 0.79627    | 1.3351     |  60.3 | 29.89
+Output  | 0.00041294 | 0.00065368 | 0.0011899  |   0.0 |  0.02
+Modify  | 0.0071657  | 0.010935   | 0.015748   |   3.6 |  0.41
+Other   |            | 0.01124    |            |       |  0.42
+
+Nlocal:    1000 ave 1870 max 299 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8679.25 ave 10190 max 7374 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Neighs:    149308 ave 215125 max 81132 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 597231
+Ave neighs/atom = 149.308
+Neighbor list builds = 50
+Dangerous builds = 0
+run		500
+Per MPI rank memory allocation (min/avg/max) = 4.134 | 4.387 | 4.664 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+     500   0.55526241   -6.2793396            0   -5.4466542   -2.0595015    4738.2137 
+     550   0.53879347   -6.2554274            0   -5.4474393   -1.9756834    4738.2137 
+     600   0.54275982   -6.2616799            0   -5.4477437   -1.9939993    4738.2137 
+     650   0.54526651    -6.265098            0   -5.4474027   -2.0303672    4738.2137 
+     700   0.54369381    -6.263201            0   -5.4478642   -1.9921967    4738.2137 
+     750   0.54452777   -6.2640839            0   -5.4474964   -1.9658675    4738.2137 
+     800   0.55061744   -6.2725556            0   -5.4468359   -2.0100922    4738.2137 
+     850   0.55371614   -6.2763992            0   -5.4460326   -2.0065329    4738.2137 
+     900   0.54756622   -6.2668303            0   -5.4456863   -1.9796122    4738.2137 
+     950   0.54791593   -6.2673161            0   -5.4456477   -1.9598278    4738.2137 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+Loop time of 3.02509 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 71402.836 tau/day, 165.284 timesteps/s
+96.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.6808     | 1.3385     | 1.959      |  52.5 | 44.25
+Neigh   | 0.13127    | 0.4678     | 0.86924    |  48.5 | 15.46
+Comm    | 0.19735    | 1.1921     | 2.1903     |  85.9 | 39.41
+Output  | 0.00045371 | 0.00090569 | 0.0013952  |   0.0 |  0.03
+Modify  | 0.0062041  | 0.011167   | 0.01691    |   4.5 |  0.37
+Other   |            | 0.01462    |            |       |  0.48
+
+Nlocal:    1000 ave 1935 max 262 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    8739.75 ave 10498 max 7333 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    150170 ave 231608 max 72161 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 600678
+Ave neighs/atom = 150.169
+Neighbor list builds = 53
+Dangerous builds = 0
+
+balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
+  rebalancing time: 0.000575304 seconds
+  iteration count = 10
+  group weights: fast=0.8 slow=2.5
+  storing weight in atom property d_WEIGHT
+  initial/final max load/proc = 2318.1 1408.1
+  initial/final imbalance factor = 1.66172 1.00939
+  x cuts: 0 0.337054 0.454419 0.59556 1
+  y cuts: 0 1
+  z cuts: 0 1
+
+fix		0 all balance 50 1.0 shift x 5 1.0                 weight var lastweight weight neigh 0.5 weight store WEIGHT
+
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.136 | 4.393 | 4.673 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1000   0.54173198   -6.2586101            0   -5.4462153   -1.9007466    4738.2137 
+    1050   0.54629742   -6.2657526            0   -5.4465113    -1.945821    4738.2137 
+    1100   0.55427881   -6.2781733            0    -5.446963   -2.0021027    4738.2137 
+    1150   0.54730654    -6.267257            0   -5.4465025   -1.9420678    4738.2137 
+    1200    0.5388281   -6.2547963            0   -5.4467562    -1.890178    4738.2137 
+    1250   0.54848768   -6.2694237            0   -5.4468979   -1.9636797    4738.2137 
+    1300   0.54134321   -6.2590728            0    -5.447261    -1.917027    4738.2137 
+    1350   0.53564389   -6.2501521            0   -5.4468871   -1.8642306    4738.2137 
+    1400   0.53726925   -6.2518379            0   -5.4461355   -1.8544028    4738.2137 
+    1450   0.54525929   -6.2632653            0   -5.4455808   -1.9072158    4738.2137 
+    1500   0.54223341   -6.2591056            0   -5.4459588   -1.8866983    4738.2137 
+Loop time of 3.07108 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 70333.514 tau/day, 162.809 timesteps/s
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.77463    | 1.3897     | 2.1328     |  51.3 | 45.25
+Neigh   | 0.13416    | 0.45546    | 0.80534    |  46.9 | 14.83
+Comm    | 0.17763    | 1.2036     | 2.1448     |  83.6 | 39.19
+Output  | 0.00039482 | 0.00067067 | 0.0013118  |   0.0 |  0.02
+Modify  | 0.0058403  | 0.010695   | 0.015841   |   4.5 |  0.35
+Other   |            | 0.01099    |            |       |  0.36
+
+Nlocal:    1000 ave 1955 max 199 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    8729 ave 10472 max 7399 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    150494 ave 251670 max 54664 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 601974
+Ave neighs/atom = 150.494
+Neighbor list builds = 51
+Dangerous builds = 0
+run             500
+Per MPI rank memory allocation (min/avg/max) = 4.136 | 4.393 | 4.673 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+    1500   0.54223341   -6.2591056            0   -5.4459588   -1.8866983    4738.2137 
+    1550   0.55327047   -6.2750129            0   -5.4453147   -1.9506601    4738.2137 
+    1600   0.54419056   -6.2612631            0   -5.4451813   -1.8559469    4738.2137 
+    1650   0.54710007   -6.2661977            0   -5.4457528   -1.8882828    4738.2137 
+    1700   0.53665429    -6.250492            0   -5.4457118   -1.8067907    4738.2137 
+    1750   0.54864943   -6.2681198            0   -5.4453514   -1.8662924    4738.2137 
+    1800   0.54477002   -6.2615118            0   -5.4445611    -1.835304    4738.2137 
+    1850   0.54143129   -6.2555621            0   -5.4436182   -1.8005839    4738.2137 
+    1900   0.53994573    -6.254175            0   -5.4444588   -1.7770422    4738.2137 
+    1950   0.54665379   -6.2640981            0   -5.4443224   -1.7946205    4738.2137 
+    2000   0.54548501   -6.2623919            0   -5.4443689   -1.8063177    4738.2137 
+Loop time of 3.48709 on 4 procs for 500 steps with 4000 atoms
+
+Performance: 61942.848 tau/day, 143.386 timesteps/s
+96.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.42099    | 1.3571     | 2.3564     |  80.4 | 38.92
+Neigh   | 0.083965   | 0.4942     | 0.96204    |  58.6 | 14.17
+Comm    | 0.25895    | 1.6131     | 2.9631     | 106.2 | 46.26
+Output  | 0.00042915 | 0.00068706 | 0.0012567  |   0.0 |  0.02
+Modify  | 0.0051193  | 0.010964   | 0.017898   |   5.5 |  0.31
+Other   |            | 0.01109    |            |       |  0.32
+
+Nlocal:    1000 ave 2036 max 127 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    8722.75 ave 10448 max 7456 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    151642 ave 269558 max 35372 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 606566
+Ave neighs/atom = 151.642
+Neighbor list builds = 56
+Dangerous builds = 0
+Total wall time: 0:00:12
diff --git a/examples/balance/log.5Oct16.balance.bond.fast.g++.4 b/examples/balance/log.5Oct16.balance.bond.fast.g++.4
deleted file mode 100644
index 17df4227b4..0000000000
--- a/examples/balance/log.5Oct16.balance.bond.fast.g++.4
+++ /dev/null
@@ -1,225 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	bond
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box bond/types 1 extra/bond/per/atom 6
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-bond_style      harmonic
-bond_coeff      1 10.0 1.2
-
-# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
-
-special_bonds   lj/coul 0 1 1
-  0 = max # of 1-2 neighbors
-  1 = max # of special neighbors
-create_bonds    all all 1 1.0 1.5
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Added 1014 bonds, new total = 1014
-  6 = max # of 1-2 neighbors
-  6 = max # of special neighbors
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-comm_modify     cutoff 10.0   # because bonds stretch a long ways
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom (c_1%10)+1
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 10
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 4.49479 Mbytes
-Step Temp E_pair Press f_10[3] f_10 
-       0    25.701528   -2.2032569    3.1039469    3.2354571    1.0526316 
-     100    27.623422    -6.228166    2.6542136    1.2631579    1.0083102 
-     200     33.35302   -15.746749    3.2018248    1.2963989    1.0193906 
-     300     39.17734     -24.1557    4.9116986    1.2963989    1.0193906 
-     400    41.660701   -27.615203    8.6214679    1.3518006    1.0083102 
-     500    37.154928   -24.096947    3.2656178    1.3296399    1.0193906 
-     600     35.05989   -21.524279    2.3728488    1.3296399    1.0083102 
-     700    36.705654   -21.984526    3.2984899    1.3296399    1.0083102 
-     800    39.631254   -25.783472    4.1595658    1.3961219    1.0083102 
-     900    38.122407   -24.836728    5.3619155    1.3628809    1.0083102 
-    1000    38.369965   -25.098561    4.5613077    1.3074792    1.0083102 
-    1100    36.448264   -25.295817    4.0134469    1.1966759    1.0193906 
-    1200    33.216313   -21.813423      4.48954    1.1634349    1.0304709 
-    1300    30.361077   -20.323335    4.8079549    1.0637119    1.0083102 
-    1400    29.368132   -18.532543    3.8449914    1.1191136    1.0083102 
-    1500    27.699395   -15.990271    2.1565226    1.1523546    1.0304709 
-    1600    25.304973   -14.626675   0.91025038    1.1301939    1.0083102 
-    1700    26.335273   -14.499134    1.2878263    1.1855956    1.0083102 
-    1800    25.755278   -13.121269   0.78425366    1.1745152    1.0193906 
-    1900    25.454743   -13.903724  -0.16644734    1.1080332    1.0083102 
-    2000     25.54829   -13.271068    1.9214248    1.0969529    1.0083102 
-    2100    26.663083   -13.423796    1.9699997    1.1080332    1.0083102 
-    2200    27.707332   -13.759474    1.5528121    1.1412742    1.0304709 
-    2300    26.649636   -14.246313   0.91466777    1.1412742    1.0193906 
-    2400     25.92802    -13.16271    1.0298936    1.1301939    1.0193906 
-    2500    24.992275   -12.299161    1.3078979    1.1301939    1.0083102 
-    2600    26.235185   -13.363142    2.0756764    1.2188366    1.0083102 
-    2700    27.235116    -15.57943    2.1120604    1.1745152    1.0083102 
-    2800    25.313585   -14.352196    2.1442169    1.0637119    1.0083102 
-    2900    23.472278   -13.686216   0.69404738    1.0637119    1.0193906 
-    3000     21.02552   -11.646464   0.56287643    1.0747922    1.0083102 
-    3100    20.746946   -10.721207  -0.67351842    1.0858726    1.0193906 
-    3200    20.330655   -10.307715  -0.30221601    1.0637119    1.0083102 
-    3300     22.84995   -11.104879 0.0039310975    1.1191136    1.0083102 
-    3400     23.23878   -11.827018   0.80792932    1.1301939    1.0193906 
-    3500    25.262491   -12.191616   0.83249221    1.0747922    1.0193906 
-    3600     25.08542    -13.10456    1.3164581    1.0969529    1.0193906 
-    3700    22.649046   -11.300822   0.20123604    1.0526316    1.0193906 
-    3800    20.516849   -9.7738907  -0.45160364    1.0637119    1.0083102 
-    3900    20.227823   -9.8156456   -1.4386994    1.0637119    1.0083102 
-    4000    21.511004   -9.6074826   0.83933362    1.1080332    1.0083102 
-    4100    24.569081   -12.671563   0.60105671    1.0858726    1.0193906 
-    4200    24.739215   -11.654269   0.66172409    1.0969529    1.0083102 
-    4300    22.433043   -10.921392    1.2813391    1.1634349    1.0083102 
-    4400    22.520504    -10.59901   0.10799908    1.0193906    1.0083102 
-    4500    21.799185   -9.5801426  0.057062661    1.1191136    1.0193906 
-    4600    22.537171   -9.9647087  -0.70915155    1.1412742    1.0083102 
-    4700    22.380783   -10.974234  -0.73703011    1.0858726    1.0083102 
-    4800    23.991602   -11.171402    1.3314176    1.0415512    1.0193906 
-    4900    23.077116   -12.281132   0.73818416    1.0858726    1.0083102 
-    5000    23.180253   -11.702364   0.84176858    1.1080332    1.0193906 
-    5100    21.079712   -11.204743   0.50038687    1.0747922    1.0083102 
-    5200    21.348945   -10.802581  -0.28651467    1.1634349    1.0193906 
-    5300    21.332913   -10.352697   0.46738209    1.0858726    1.0193906 
-    5400    22.283885   -10.635637  -0.31446485    1.0415512    1.0083102 
-    5500    21.404737   -9.7733531   0.61106958    1.0858726    1.0193906 
-    5600    23.013417   -10.291315    1.0562031    1.0969529    1.0083102 
-    5700    22.087964   -10.931365  0.071180576    1.0415512    1.0193906 
-    5800    24.011278   -11.080032    1.3901123    1.0637119    1.0193906 
-    5900    22.320482   -10.616071   0.57726663    1.1412742    1.0193906 
-    6000    23.348377   -12.116776   0.59306932    1.1191136    1.0193906 
-    6100     22.20822   -11.545749  0.035299394    1.0747922    1.0193906 
-    6200    22.810467   -10.598645    0.3296656    1.0415512    1.0083102 
-    6300    21.398957   -10.058479   0.66795602    1.0415512    1.0193906 
-    6400    21.945005   -10.358622   -1.0094405    1.0415512    1.0083102 
-    6500    22.906408   -10.767788    1.0948374    1.0858726    1.0083102 
-    6600    23.326617   -11.264481   0.82773039    1.0747922    1.0083102 
-    6700    22.491386    -10.27014  0.043938534    1.0526316    1.0193906 
-    6800    22.294374   -10.664685  0.048726237    1.1191136    1.0083102 
-    6900    22.221286   -10.697394    1.0354647    1.0415512    1.0193906 
-    7000    21.693738   -10.009277   0.64426437    1.0858726    1.0083102 
-    7100    22.775615   -11.372061  0.069159076    1.1191136    1.0193906 
-    7200    22.274683   -11.583382  -0.35907789    1.0858726    1.0193906 
-    7300    21.410706   -11.005479  -0.66394825    1.1080332    1.0083102 
-    7400    21.910735   -9.9354265   0.78899083    1.0526316    1.0083102 
-    7500    21.526738   -9.7787506  -0.38232161    1.0415512    1.0083102 
-    7600    21.833898   -10.289457  0.058939882    1.0747922    1.0193906 
-    7700    21.606736   -9.6807332   0.50127515    1.0526316    1.0083102 
-    7800    22.294657   -10.790285    0.8685065    1.0637119    1.0083102 
-    7900    23.269713   -11.375434   0.84634431    1.0969529    1.0304709 
-    8000    22.865151   -10.960251    1.0270422    1.0526316    1.0304709 
-    8100    21.656008   -10.504825    1.2228537    1.0304709    1.0193906 
-    8200    24.494122   -12.282009   0.16316531    1.0526316    1.0193906 
-    8300    22.974267   -11.287149 -0.035076799    1.0747922    1.0193906 
-    8400    21.052237   -11.243181 -0.099450689    1.0747922    1.0193906 
-    8500    22.661383   -11.090107  -0.22913242    1.0969529    1.0193906 
-    8600    21.403272   -9.5267458  -0.28047198    1.0637119    1.0193906 
-    8700    22.786699   -10.403836   0.40752047    1.0415512    1.0193906 
-    8800    24.504694   -10.706052    1.1870205    1.0969529    1.0193906 
-    8900     23.22256   -11.182967   0.64166445    1.0747922    1.0304709 
-    9000    23.734203   -10.422277    1.3143506    1.1191136    1.0304709 
-    9100    23.517258   -11.247418  -0.13540081    1.0193906    1.0193906 
-    9200    23.128204   -9.9181617    1.0928284    1.1412742    1.0083102 
-    9300    23.281107   -10.523942  0.011923998    1.0969529    1.0193906 
-    9400    21.800282   -10.359413  -0.62145559    1.1412742    1.0193906 
-    9500    24.910955   -11.786562    1.6227559    1.1301939    1.0193906 
-    9600    24.331432   -11.802048   0.62882542    1.1191136    1.0083102 
-    9700    22.340782   -10.531555   0.29842716    1.0415512    1.0193906 
-    9800    22.371239   -10.384104   0.34253854    1.0415512    1.0083102 
-    9900    22.289367   -9.9488634   0.29499176    1.1412742    1.0083102 
-   10000    22.518865   -10.279548  -0.48356734    1.1745152    1.0083102 
-Loop time of 0.879172 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 4913715.115 tau/day, 11374.341 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.11586    | 0.13009    | 0.14055    |   2.7 | 14.80
-Bond    | 0.054003   | 0.058475   | 0.063238   |   1.8 |  6.65
-Neigh   | 0.2865     | 0.29554    | 0.3049     |   1.2 | 33.62
-Comm    | 0.20988    | 0.24193    | 0.27748    |   4.9 | 27.52
-Output  | 0.0021532  | 0.0023131  | 0.00266    |   0.4 |  0.26
-Modify  | 0.043945   | 0.045592   | 0.047122   |   0.6 |  5.19
-Other   |            | 0.1052     |            |       | 11.97
-
-Nlocal:    90.25 ave 91 max 90 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    250.25 ave 257 max 247 min
-Histogram: 1 1 1 0 0 0 0 0 0 1
-Neighs:    624.75 ave 739 max 519 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-
-Total # of neighbors = 2499
-Ave neighs/atom = 6.92244
-Ave special neighs/atom = 5.61773
-Neighbor list builds = 4881
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/balance/log.5Oct16.balance.g++.4 b/examples/balance/log.5Oct16.balance.g++.4
deleted file mode 100644
index 692666c3f8..0000000000
--- a/examples/balance/log.5Oct16.balance.g++.4
+++ /dev/null
@@ -1,202 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d circle of particles inside a box with LJ walls
-
-variable        b index 0
-
-variable	x index 50
-variable	y index 20
-variable	d index 20
-variable	v index 5
-variable	w index 2
-
-units		lj
-dimension       2
-atom_style	atomic
-boundary        f f p
-
-lattice		hex 0.85
-Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
-region		box block 0 $x 0 $y -0.5 0.5
-region		box block 0 50 0 $y -0.5 0.5
-region		box block 0 50 0 20 -0.5 0.5
-create_box	1 box
-Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
-  2 by 2 by 1 MPI processor grid
-region		circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
-region		circle sphere 11 6.7735026918962581988 0.0 10
-create_atoms	1 region circle
-Created 361 atoms
-mass		1 1.0
-
-velocity	all create 0.5 87287 loop geom
-velocity        all set $v $w 0 sum yes
-velocity        all set 5 $w 0 sum yes
-velocity        all set 5 2 0 sum yes
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 10.0 1.0 2.5
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 all nve
-
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
-fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
-fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
-
-comm_style      tiled
-fix             10 all balance 50 0.9 rcb
-
-#compute         1 all property/atom proc
-#variable        p atom c_1%10
-#dump            2 all custom 50 tmp.dump id v_p x y z
-
-#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
-#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
-#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}
-
-thermo_style    custom step temp epair press f_10[3] f_10
-thermo          100
-
-run		10000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 42 29 1
-Memory usage per processor = 2.48839 Mbytes
-Step Temp E_pair Press f_10[3] f_10 
-       0    25.701528   -29.143179   -1.2407285    3.2354571    1.0526316 
-     100    26.269576   -29.713313    7.9052334    1.2742382    1.0304709 
-     200    26.368336   -29.809962    1.6412462    1.2520776    1.0083102 
-     300    26.479082   -29.920083    2.3678653    1.2299169    1.0193906 
-     400    26.522239   -29.965537    6.6787858    1.1855956    1.0083102 
-     500    25.725591   -29.168034   0.67065285    1.2520776    1.0083102 
-     600    26.247693   -29.692706    7.9887712    1.3074792    1.0083102 
-     700    26.237368   -29.676926    1.5987214    1.2409972    1.0083102 
-     800    25.889643   -29.431589    4.6160859    1.2631579    1.0083102 
-     900    23.635295   -27.372963     9.029962    1.1634349    1.0083102 
-    1000    22.571904    -25.87422    1.8936085    1.1301939    1.0193906 
-    1100    17.493795   -21.447274     9.502619    1.0858726    1.0193906 
-    1200    17.214458   -20.726965    6.3578918    1.0304709    1.0193906 
-    1300     16.42404   -19.757268    3.9028429    1.1191136    1.0083102 
-    1400    15.012286   -18.095045    1.7699868    1.0858726    1.0193906 
-    1500    13.853156   -16.929243    1.0730365    1.0858726    1.0193906 
-    1600    13.655251   -16.659753    2.1723498    1.0747922    1.0083102 
-    1700    12.675328   -15.550697    1.8710911    1.0415512    1.0193906 
-    1800    12.657349   -15.825827    1.9350712    1.0193906    1.0193906 
-    1900    12.857141      -15.773    1.7624119    1.0193906    1.0304709 
-    2000    11.856547   -14.727128    1.7186493    1.1080332    1.0083102 
-    2100    12.113322   -14.953592    1.4400251    1.0415512    1.0193906 
-    2200    11.545208   -14.363826    1.1597272    1.0969529    1.0083102 
-    2300    11.433966   -14.302533    1.5537689    1.0969529    1.0083102 
-    2400    11.577739   -14.385288    1.3175128    1.0526316    1.0193906 
-    2500    11.308903   -14.130976       1.0372    1.0304709    1.0193906 
-    2600     11.03881   -13.846505     1.498497    1.0304709    1.0083102 
-    2700     10.70089   -13.790867    1.4450907    1.0637119    1.0083102 
-    2800    10.805792   -13.563219    1.2192081    1.0415512    1.0083102 
-    2900    10.421157   -13.168851     1.402862    1.0304709    1.0083102 
-    3000    10.400588   -13.097548    1.0337744    1.0526316    1.0083102 
-    3100    10.358923   -13.069844   0.90449608    1.0637119    1.0304709 
-    3200    10.006549   -12.712754    1.2690601    1.0415512    1.0083102 
-    3300    9.6601046   -12.398878    0.9892202    1.0193906    1.0083102 
-    3400    9.8691691   -12.644347    1.0763164    1.0526316    1.0193906 
-    3500    9.4257858   -12.095325    1.3422009    1.0747922    1.0193906 
-    3600    9.8117461   -12.559789    1.0175443    1.0415512    1.0083102 
-    3700    9.1821286   -11.849911    1.4515013    1.0415512    1.0083102 
-    3800    9.3099882   -12.081373   0.90072272    1.0193906    1.0193906 
-    3900     9.478143   -12.141401    1.0850242    1.0193906    1.0083102 
-    4000    9.2104886   -11.866265   0.69822096    1.0304709    1.0083102 
-    4100    8.8886161    -11.56296   0.89116764    1.0083102    1.0083102 
-    4200    8.7477884   -11.435867     1.155131    1.0415512    1.0083102 
-    4300    8.8404671   -11.475073   0.73376033    1.0193906    1.0083102 
-    4400    9.0720052   -11.722172    1.1153459    1.0193906    1.0193906 
-    4500    8.4943391    -11.10353   0.98158121    1.0304709    1.0193906 
-    4600    8.6208392    -11.25783   0.52722218    1.0304709    1.0304709 
-    4700     8.355727   -10.974506    0.9215792    1.0526316    1.0083102 
-    4800    7.9464294   -10.531082   0.96217105    1.0193906    1.0193906 
-    4900    8.1538037    -10.74077   0.93322839    1.0526316    1.0083102 
-    5000    8.0560766   -10.668117   0.89914093    1.0083102    1.0083102 
-    5100    7.8109289   -10.391977   0.89999269    1.0637119    1.0083102 
-    5200    7.5452618   -10.199853   0.85038647    1.0415512    1.0083102 
-    5300    7.5551774   -10.134568   0.48669864    1.0193906    1.0193906 
-    5400    7.5427574   -10.109261   0.51382249    1.0304709    1.0083102 
-    5500    7.3322385   -9.8794018   0.39341727    1.0304709    1.0193906 
-    5600    7.1576966   -9.7228317   0.49695339    1.0637119    1.0193906 
-    5700    6.9753083   -9.5665538   0.63845281    1.0637119    1.0193906 
-    5800    7.2002518   -9.7545436    0.8869362    1.0304709    1.0083102 
-    5900    6.7877615   -9.4201982     1.150461    1.0415512    1.0083102 
-    6000    7.2316113   -9.7609318   0.56956179    1.0083102    1.0083102 
-    6100    6.8517997   -9.3662525   0.69127091    1.0083102    1.0193906 
-    6200    6.7332571   -9.2601934   0.64092541    1.0747922    1.0193906 
-    6300    7.2653962    -9.812989    1.0089331    1.0415512    1.0193906 
-    6400    6.9924469   -9.5198187   0.50623927    1.0193906    1.0083102 
-    6500    6.7976268   -9.3171977   0.37708413    1.0304709    1.0193906 
-    6600    7.1400261   -9.6453688   0.51672188    1.0415512    1.0193906 
-    6700    7.0874791   -9.6159675   0.23431446    1.0193906    1.0083102 
-    6800    7.0934248   -9.6288017   0.73112796    1.0083102    1.0193906 
-    6900    7.0402806   -9.6881643   0.65441466    1.0193906    1.0193906 
-    7000    6.6077988   -9.1981347   0.81515889    1.0193906    1.0083102 
-    7100    6.6804693   -9.1892523   0.46231433    1.0193906    1.0083102 
-    7200    6.7050761   -9.2536735   0.68422675    1.0083102    1.0083102 
-    7300    6.6980524   -9.2116982   0.77722939    1.0083102    1.0193906 
-    7400    6.9237141   -9.4504319   0.50584321    1.0083102    1.0193906 
-    7500    6.7457236   -9.2517367   0.41774845    1.0193906    1.0083102 
-    7600     6.140572   -8.6271314   0.47012282    1.0193906    1.0193906 
-    7700    6.3154289   -8.8060017   0.30256453    1.0193906    1.0083102 
-    7800    6.4817555   -9.0034539   0.48964815    1.0193906    1.0193906 
-    7900    6.5509105    -9.046808   0.26620539    1.0304709    1.0083102 
-    8000    6.1907919   -8.7009493   0.36431296    1.0193906    1.0083102 
-    8100    6.6773106   -9.1825184   0.63034715    1.0193906    1.0083102 
-    8200    6.3651832    -8.865283   0.41221098    1.0193906    1.0193906 
-    8300    6.5319342   -9.0474918   0.50861431    1.0193906    1.0193906 
-    8400    6.0026097   -8.4829924   0.61261898    1.0304709    1.0193906 
-    8500     6.264053   -8.7484184   0.22150916    1.0193906    1.0193906 
-    8600    6.4822013   -8.9786803   0.79519176    1.0415512    1.0083102 
-    8700    6.1133663   -8.5901382   0.66131133    1.0193906    1.0193906 
-    8800    5.7750595   -8.2366077   0.54475083    1.0415512    1.0193906 
-    8900    5.7948059   -8.2720683   0.66374336    1.0083102    1.0083102 
-    9000    6.0180401   -8.4602116   0.35964058    1.0193906    1.0083102 
-    9100    5.6468037   -8.1226322   0.33562506    1.0083102    1.0083102 
-    9200    6.0286609   -8.4948458   0.81948932    1.0083102    1.0083102 
-    9300    5.3272121   -7.7564142   0.59727196    1.0193906    1.0083102 
-    9400    5.3686107   -7.8108198   0.49158335    1.0193906    1.0083102 
-    9500    5.5578127   -7.9767984   0.54325782    1.0083102    1.0083102 
-    9600    5.3535292   -7.7952435   0.51871219    1.0083102    1.0083102 
-    9700    5.2229146   -7.6572219   0.82526944    1.0193906    1.0193906 
-    9800    5.5316834   -7.9694409  -0.06268606    1.0193906    1.0083102 
-    9900    5.3195142   -7.7834343   0.98223661    1.0083102    1.0083102 
-   10000    5.4133458   -7.8543365   0.23338829    1.0304709    1.0083102 
-Loop time of 0.41562 on 4 procs for 10000 steps with 361 atoms
-
-Performance: 10394107.789 tau/day, 24060.435 timesteps/s
-98.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.061998   | 0.074455   | 0.095533   |   4.7 | 17.91
-Neigh   | 0.065831   | 0.070617   | 0.081226   |   2.4 | 16.99
-Comm    | 0.11365    | 0.14064    | 0.16052    |   5.3 | 33.84
-Output  | 0.0021498  | 0.0023028  | 0.0026829  |   0.5 |  0.55
-Modify  | 0.040329   | 0.04214    | 0.043329   |   0.5 | 10.14
-Other   |            | 0.08546    |            |       | 20.56
-
-Nlocal:    90.25 ave 91 max 90 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    22 ave 25 max 18 min
-Histogram: 1 0 0 0 1 0 0 0 1 1
-Neighs:    252.75 ave 342 max 132 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
-
-Total # of neighbors = 1011
-Ave neighs/atom = 2.80055
-Neighbor list builds = 3495
-Dangerous builds = 0
-Total wall time: 0:00:00

From 2ed90c166977933da8f95b32bfa7911e5ff19d70 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 14:46:47 -0500
Subject: [PATCH 205/273] update log files for body examples

---
 examples/body/data.squares                    |   0
 examples/body/in.squares                      |   0
 examples/body/in.wall2d                       |   0
 ...ct16.body.g++.1 => log.27Nov18.body.g++.1} |  36 +--
 ...ct16.body.g++.4 => log.27Nov18.body.g++.4} |  34 +--
 ...dy.cubes.g++.1 => log.27Nov18.cubes.g++.1} |  27 ++-
 ...dy.cubes.g++.4 => log.27Nov18.cubes.g++.4} |  25 +-
 examples/body/log.27Nov18.pour3d.g++.1        |  74 ++++++
 examples/body/log.27Nov18.pour3d.g++.4        |  74 ++++++
 examples/body/log.27Nov18.squares.g++.1       | 222 +++++++++++++++++
 examples/body/log.27Nov18.squares.g++.4       | 222 +++++++++++++++++
 examples/body/log.27Nov18.wall2d.g++.1        | 224 ++++++++++++++++++
 examples/body/log.27Nov18.wall2d.g++.4        | 224 ++++++++++++++++++
 examples/body/log.9Jul18.body.pour3d.g++.1    | 138 -----------
 examples/body/log.9Jul18.body.squares.g++.1   | 221 -----------------
 examples/body/log.9Jul18.body.squares.g++.4   | 221 -----------------
 examples/body/log.9Jul18.body.wall2d.g++.1    | 223 -----------------
 examples/body/log.9Jul18.body.wall2d.g++.4    | 223 -----------------
 18 files changed, 1108 insertions(+), 1080 deletions(-)
 mode change 100755 => 100644 examples/body/data.squares
 mode change 100755 => 100644 examples/body/in.squares
 mode change 100755 => 100644 examples/body/in.wall2d
 rename examples/body/{log.5Oct16.body.g++.1 => log.27Nov18.body.g++.1} (90%)
 rename examples/body/{log.5Oct16.body.g++.4 => log.27Nov18.body.g++.4} (90%)
 rename examples/body/{log.9Jul18.body.cubes.g++.1 => log.27Nov18.cubes.g++.1} (82%)
 rename examples/body/{log.9Jul18.body.cubes.g++.4 => log.27Nov18.cubes.g++.4} (84%)
 create mode 100644 examples/body/log.27Nov18.pour3d.g++.1
 create mode 100644 examples/body/log.27Nov18.pour3d.g++.4
 create mode 100644 examples/body/log.27Nov18.squares.g++.1
 create mode 100644 examples/body/log.27Nov18.squares.g++.4
 create mode 100644 examples/body/log.27Nov18.wall2d.g++.1
 create mode 100644 examples/body/log.27Nov18.wall2d.g++.4
 delete mode 100644 examples/body/log.9Jul18.body.pour3d.g++.1
 delete mode 100644 examples/body/log.9Jul18.body.squares.g++.1
 delete mode 100644 examples/body/log.9Jul18.body.squares.g++.4
 delete mode 100644 examples/body/log.9Jul18.body.wall2d.g++.1
 delete mode 100644 examples/body/log.9Jul18.body.wall2d.g++.4

diff --git a/examples/body/data.squares b/examples/body/data.squares
old mode 100755
new mode 100644
diff --git a/examples/body/in.squares b/examples/body/in.squares
old mode 100755
new mode 100644
diff --git a/examples/body/in.wall2d b/examples/body/in.wall2d
old mode 100755
new mode 100644
diff --git a/examples/body/log.5Oct16.body.g++.1 b/examples/body/log.27Nov18.body.g++.1
similarity index 90%
rename from examples/body/log.5Oct16.body.g++.1
rename to examples/body/log.27Nov18.body.g++.1
index e7b7b381c3..adb2c5dd6f 100644
--- a/examples/body/log.5Oct16.body.g++.1
+++ b/examples/body/log.27Nov18.body.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d polygon nparticle bodies
 
 units		lj
@@ -14,7 +15,7 @@ read_data       data.body
 
 velocity	all create 1.44 87287 loop geom
 
-pair_style	body 5.0
+pair_style	body/nparticle 5.0
 pair_coeff	* * 1.0 1.0
 
 neighbor	0.5 bin
@@ -33,13 +34,18 @@ fix		2 all enforce2d
 thermo          100
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.5
   ghost atom cutoff = 5.5
-  binsize = 2.75 -> bins = 12 12 1
-Memory usage per processor = 4.44944 Mbytes
+  binsize = 2.75, bins = 12 12 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/nparticle, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.772 | 4.772 | 4.772 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44  -0.63799525            0   0.78760475  -0.15028724 
      100     1.642337   -1.0003869            0   0.62552682   0.16140818 
@@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press
     9800    1.6713187   -1.6842507            0 -0.029645137   0.17982115 
     9900    1.7707351   -1.6638268            0  0.089200949    0.2983883 
    10000    1.6466807    -1.592436            0  0.037777866   0.12761693 
-Loop time of 2.33651 on 1 procs for 10000 steps with 100 atoms
+Loop time of 1.76365 on 1 procs for 10000 steps with 100 atoms
 
-Performance: 1848909.758 tau/day, 4279.884 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 2449465.017 tau/day, 5670.058 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.1308     | 2.1308     | 2.1308     |   0.0 | 91.20
-Neigh   | 0.011168   | 0.011168   | 0.011168   |   0.0 |  0.48
-Comm    | 0.02469    | 0.02469    | 0.02469    |   0.0 |  1.06
-Output  | 0.00063729 | 0.00063729 | 0.00063729 |   0.0 |  0.03
-Modify  | 0.15896    | 0.15896    | 0.15896    |   0.0 |  6.80
-Other   |            | 0.01025    |            |       |  0.44
+Pair    | 1.5533     | 1.5533     | 1.5533     |   0.0 | 88.08
+Neigh   | 0.01155    | 0.01155    | 0.01155    |   0.0 |  0.65
+Comm    | 0.042146   | 0.042146   | 0.042146   |   0.0 |  2.39
+Output  | 0.00089574 | 0.00089574 | 0.00089574 |   0.0 |  0.05
+Modify  | 0.14124    | 0.14124    | 0.14124    |   0.0 |  8.01
+Other   |            | 0.01448    |            |       |  0.82
 
 Nlocal:    100 ave 100 max 100 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -168,4 +174,4 @@ Total # of neighbors = 467
 Ave neighs/atom = 4.67
 Neighbor list builds = 468
 Dangerous builds = 0
-Total wall time: 0:00:02
+Total wall time: 0:00:01
diff --git a/examples/body/log.5Oct16.body.g++.4 b/examples/body/log.27Nov18.body.g++.4
similarity index 90%
rename from examples/body/log.5Oct16.body.g++.4
rename to examples/body/log.27Nov18.body.g++.4
index 2a2e17ccba..24ed0a5436 100644
--- a/examples/body/log.5Oct16.body.g++.4
+++ b/examples/body/log.27Nov18.body.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d polygon nparticle bodies
 
 units		lj
@@ -14,7 +15,7 @@ read_data       data.body
 
 velocity	all create 1.44 87287 loop geom
 
-pair_style	body 5.0
+pair_style	body/nparticle 5.0
 pair_coeff	* * 1.0 1.0
 
 neighbor	0.5 bin
@@ -33,13 +34,18 @@ fix		2 all enforce2d
 thermo          100
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.5
   ghost atom cutoff = 5.5
-  binsize = 2.75 -> bins = 12 12 1
-Memory usage per processor = 4.43864 Mbytes
+  binsize = 2.75, bins = 12 12 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/nparticle, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.759 | 4.759 | 4.759 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44  -0.63799525            0   0.78760475  -0.15028724 
      100     1.642337   -1.0003869            0   0.62552682   0.16140818 
@@ -142,20 +148,20 @@ Step Temp E_pair E_mol TotEng Press
     9800    1.7799071   -1.7889616            0 -0.026853542    0.3169291 
     9900    1.5838158    -1.718909            0  -0.15093133   0.46050618 
    10000    1.6100625   -1.7018091            0  -0.10784725   0.10312591 
-Loop time of 0.849795 on 4 procs for 10000 steps with 100 atoms
+Loop time of 0.715445 on 4 procs for 10000 steps with 100 atoms
 
-Performance: 5083579.790 tau/day, 11767.546 timesteps/s
-99.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 6038199.147 tau/day, 13977.313 timesteps/s
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.47067    | 0.53757    | 0.61119    |   7.9 | 63.26
-Neigh   | 0.0030298  | 0.0032511  | 0.0035295  |   0.3 |  0.38
-Comm    | 0.1592     | 0.23416    | 0.30247    |  12.4 | 27.56
-Output  | 0.0015244  | 0.0016521  | 0.0018895  |   0.4 |  0.19
-Modify  | 0.039954   | 0.0415     | 0.044199   |   0.8 |  4.88
-Other   |            | 0.03166    |            |       |  3.73
+Pair    | 0.35395    | 0.40307    | 0.45588    |   5.9 | 56.34
+Neigh   | 0.0033705  | 0.0036112  | 0.0039394  |   0.4 |  0.50
+Comm    | 0.17564    | 0.22399    | 0.26912    |   7.8 | 31.31
+Output  | 0.0014601  | 0.0024824  | 0.0054784  |   3.5 |  0.35
+Modify  | 0.038037   | 0.039219   | 0.04163    |   0.7 |  5.48
+Other   |            | 0.04308    |            |       |  6.02
 
 Nlocal:    25 ave 28 max 23 min
 Histogram: 1 0 1 0 1 0 0 0 0 1
diff --git a/examples/body/log.9Jul18.body.cubes.g++.1 b/examples/body/log.27Nov18.cubes.g++.1
similarity index 82%
rename from examples/body/log.9Jul18.body.cubes.g++.1
rename to examples/body/log.27Nov18.cubes.g++.1
index c9a799c0b5..588f95f69d 100644
--- a/examples/body/log.9Jul18.body.cubes.g++.1
+++ b/examples/body/log.27Nov18.cubes.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (29 Jun 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d rounded cubes
 
 variable    r     index 3
@@ -23,7 +24,7 @@ replicate   3 3 3
   orthogonal box = (0 0 0) to (18 18 18)
   1 by 1 by 1 MPI processor grid
   54 atoms
-  Time spent = 0.000217915 secs
+  Time spent = 0.000426769 secs
 
 velocity    all create 1.2 187287 dist gaussian mom yes rot yes
 
@@ -82,7 +83,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.953 | 4.953 | 4.953 Mbytes
 Step KinEng PotEng TotEng c_p2 c_1_temp 
        0    1.7666667            0    1.7666667   0.01090535   0.59439252 
     1000    3.1462962   0.17392649    3.3202227   0.02361912    1.1654694 
@@ -95,20 +96,20 @@ Step KinEng PotEng TotEng c_p2 c_1_temp
     8000    3.0101226   0.28825968    3.2983823  0.027273454    1.2138056 
     9000    3.0164253    0.1901733    3.2065986  0.033228915    1.3095914 
    10000    2.3780401   0.34082434    2.7188644  0.031838531    1.0208679 
-Loop time of 38.5686 on 1 procs for 10000 steps with 54 atoms
+Loop time of 51.5779 on 1 procs for 10000 steps with 54 atoms
 
-Performance: 22401.653 tau/day, 259.278 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 16751.376 tau/day, 193.882 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 38.426     | 38.426     | 38.426     |   0.0 | 99.63
-Neigh   | 0.0043154  | 0.0043154  | 0.0043154  |   0.0 |  0.01
-Comm    | 0.047616   | 0.047616   | 0.047616   |   0.0 |  0.12
-Output  | 0.00017595 | 0.00017595 | 0.00017595 |   0.0 |  0.00
-Modify  | 0.082948   | 0.082948   | 0.082948   |   0.0 |  0.22
-Other   |            | 0.007761   |            |       |  0.02
+Pair    | 51.377     | 51.377     | 51.377     |   0.0 | 99.61
+Neigh   | 0.0063686  | 0.0063686  | 0.0063686  |   0.0 |  0.01
+Comm    | 0.072127   | 0.072127   | 0.072127   |   0.0 |  0.14
+Output  | 0.0002768  | 0.0002768  | 0.0002768  |   0.0 |  0.00
+Modify  | 0.10849    | 0.10849    | 0.10849    |   0.0 |  0.21
+Other   |            | 0.01404    |            |       |  0.03
 
 Nlocal:    54 ave 54 max 54 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -122,4 +123,4 @@ Ave neighs/atom = 1.85185
 Neighbor list builds = 268
 Dangerous builds = 0
 
-Total wall time: 0:00:38
+Total wall time: 0:00:51
diff --git a/examples/body/log.9Jul18.body.cubes.g++.4 b/examples/body/log.27Nov18.cubes.g++.4
similarity index 84%
rename from examples/body/log.9Jul18.body.cubes.g++.4
rename to examples/body/log.27Nov18.cubes.g++.4
index e2407e9725..f10a4c8a0a 100644
--- a/examples/body/log.9Jul18.body.cubes.g++.4
+++ b/examples/body/log.27Nov18.cubes.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (29 Jun 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d rounded cubes
 
 variable    r     index 3
@@ -23,7 +24,7 @@ replicate   3 3 3
   orthogonal box = (0 0 0) to (18 18 18)
   1 by 2 by 2 MPI processor grid
   54 atoms
-  Time spent = 0.00103807 secs
+  Time spent = 0.000776052 secs
 
 velocity    all create 1.2 187287 dist gaussian mom yes rot yes
 
@@ -95,20 +96,20 @@ Step KinEng PotEng TotEng c_p2 c_1_temp
     8000    3.0101226   0.28825968    3.2983823  0.027273454    1.2138056 
     9000    3.0164253    0.1901733    3.2065986  0.033228915    1.3095914 
    10000    2.3780401   0.34082434    2.7188644  0.031838531    1.0208679 
-Loop time of 20.5306 on 4 procs for 10000 steps with 54 atoms
+Loop time of 25.5798 on 4 procs for 10000 steps with 54 atoms
 
-Performance: 42083.509 tau/day, 487.078 timesteps/s
-100.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 33776.718 tau/day, 390.934 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 7.5288     | 10.878     | 19.952     | 159.0 | 52.98
-Neigh   | 0.0014424  | 0.0016552  | 0.0021195  |   0.7 |  0.01
-Comm    | 0.50623    | 9.5805     | 12.93      | 169.4 | 46.66
-Output  | 0.00011921 | 0.00014341 | 0.00021386 |   0.0 |  0.00
-Modify  | 0.044663   | 0.047684   | 0.05382    |   1.6 |  0.23
-Other   |            | 0.023      |            |       |  0.11
+Pair    | 9.256      | 13.423     | 24.653     | 177.1 | 52.47
+Neigh   | 0.0021949  | 0.0024942  | 0.0031152  |   0.7 |  0.01
+Comm    | 0.73678    | 11.948     | 16.096     | 187.4 | 46.71
+Output  | 0.00023246 | 0.00041932 | 0.0009768  |   0.0 |  0.00
+Modify  | 0.12505    | 0.15661    | 0.18165    |   6.0 |  0.61
+Other   |            | 0.04968    |            |       |  0.19
 
 Nlocal:    13.5 ave 17 max 9 min
 Histogram: 1 0 0 1 0 0 0 0 1 1
@@ -122,4 +123,4 @@ Ave neighs/atom = 1.85185
 Neighbor list builds = 268
 Dangerous builds = 0
 
-Total wall time: 0:00:20
+Total wall time: 0:00:25
diff --git a/examples/body/log.27Nov18.pour3d.g++.1 b/examples/body/log.27Nov18.pour3d.g++.1
new file mode 100644
index 0000000000..10a4999d14
--- /dev/null
+++ b/examples/body/log.27Nov18.pour3d.g++.1
@@ -0,0 +1,74 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# pouring 3d rounded polyhedron bodies
+
+variable    steps index 6000
+
+units       lj
+boundary    p p fm
+comm_modify vel yes
+
+atom_style  body rounded/polyhedron 1 8
+atom_modify map array
+
+region		reg block 0 50 0 50 0 50 units box
+create_box	4 reg
+Created orthogonal box = (0 0 0) to (50 50 50)
+  1 by 1 by 1 MPI processor grid
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 5
+variable c_n        equal 20
+variable c_t        equal 5
+variable mu         equal 0
+variable A_ua       equal 1
+
+pair_style body/rounded/polyhedron ${c_n} ${c_t} ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 ${c_t} ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 1 ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 1 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 5
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+fix          1 all nve/body
+fix          2 all gravity 1.0 spherical 0.0 -180.0
+
+molecule     object molecule.cube molecule.tetra toff 1              molecule.rod3d toff 2 molecule.point3d toff 3
+Read molecule object:
+  1 atoms with max type 1
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 2
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 3
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 4
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+
+region       slab block 5 45 5 45 25 35 units box
+fix          ins all pour 500 0 4767548 vol 0.4 10 region slab mol object              molfrac 0.25 0.25 0.25 0.25
+ERROR: Unknown fix style pour (src/modify.cpp:898)
+Last command: fix          ins all pour 500 0 4767548 vol 0.4 10 region slab mol object              molfrac 0.25 0.25 0.25 0.25
diff --git a/examples/body/log.27Nov18.pour3d.g++.4 b/examples/body/log.27Nov18.pour3d.g++.4
new file mode 100644
index 0000000000..eb65f99bc2
--- /dev/null
+++ b/examples/body/log.27Nov18.pour3d.g++.4
@@ -0,0 +1,74 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# pouring 3d rounded polyhedron bodies
+
+variable    steps index 6000
+
+units       lj
+boundary    p p fm
+comm_modify vel yes
+
+atom_style  body rounded/polyhedron 1 8
+atom_modify map array
+
+region		reg block 0 50 0 50 0 50 units box
+create_box	4 reg
+Created orthogonal box = (0 0 0) to (50 50 50)
+  1 by 2 by 2 MPI processor grid
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 5
+variable c_n        equal 20
+variable c_t        equal 5
+variable mu         equal 0
+variable A_ua       equal 1
+
+pair_style body/rounded/polyhedron ${c_n} ${c_t} ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 ${c_t} ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 ${mu} ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 ${A_ua} ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 1 ${cut_inner}
+pair_style body/rounded/polyhedron 20 5 0 1 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 5
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+fix          1 all nve/body
+fix          2 all gravity 1.0 spherical 0.0 -180.0
+
+molecule     object molecule.cube molecule.tetra toff 1              molecule.rod3d toff 2 molecule.point3d toff 3
+Read molecule object:
+  1 atoms with max type 1
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 2
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 3
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+Read molecule object:
+  1 atoms with max type 4
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
+
+region       slab block 5 45 5 45 25 35 units box
+fix          ins all pour 500 0 4767548 vol 0.4 10 region slab mol object              molfrac 0.25 0.25 0.25 0.25
+ERROR: Unknown fix style pour (src/modify.cpp:898)
+Last command: fix          ins all pour 500 0 4767548 vol 0.4 10 region slab mol object              molfrac 0.25 0.25 0.25 0.25
diff --git a/examples/body/log.27Nov18.squares.g++.1 b/examples/body/log.27Nov18.squares.g++.1
new file mode 100644
index 0000000000..cc334b416c
--- /dev/null
+++ b/examples/body/log.27Nov18.squares.g++.1
@@ -0,0 +1,222 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d rounded polygon bodies
+
+variable    r     index 4
+variable    steps index 100000
+variable    T     index 0.5
+variable    P     index 0.1
+variable    seed  index 980411
+
+units       lj
+dimension   2
+
+atom_style  body rounded/polygon 1 6
+atom_modify map array
+read_data   data.squares
+  orthogonal box = (0 0 -0.5) to (12 12 0.5)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2 atoms
+  2 bodies
+
+replicate   $r $r 1
+replicate   4 $r 1
+replicate   4 4 1
+  orthogonal box = (0 0 -0.5) to (48 48 0.5)
+  1 by 1 by 1 MPI processor grid
+  32 atoms
+  Time spent = 0.000279665 secs
+
+velocity    all create $T ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 980411 dist gaussian mom yes rot yes
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 2
+variable c_n        equal 1
+variable c_t        equal 1
+variable mu         equal 0.1
+variable delta_ua   equal 0.5
+
+pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 0.5 ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 0.5 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 2
+
+comm_modify vel yes
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+#fix         1 all nve/body
+#fix         1 all nvt/body temp $T $T 1.0
+fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 0.1 1.0 couple xy fixedpoint 0 0 0
+
+fix          2 all enforce2d
+
+#compute      1 all body/local id 1 2 3
+#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
+
+thermo_style custom step ke pe etotal press
+thermo       1000
+
+#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
+#dump_modify  2 pad 6
+
+run          ${steps}
+run          100000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.15685
+  ghost atom cutoff = 6.15685
+  binsize = 3.07843, bins = 16 16 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/rounded/polygon, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.781 | 4.781 | 4.781 Mbytes
+Step KinEng PotEng TotEng Press 
+       0     0.484375         0.25     0.734375 0.0067274306 
+    1000   0.38428256 0.0014168922   0.38569945 0.0020468171 
+    2000   0.41372193  0.015263236   0.42898517 0.0029343462 
+    3000   0.54844547  0.014870378   0.56331585  0.001978353 
+    4000   0.73816048  0.031668204   0.76982869 0.0025939718 
+    5000   0.84536165  0.011504649    0.8568663 0.0037990517 
+    6000   0.73776478   0.14445932    0.8822241 0.0086538113 
+    7000   0.52022565  0.069507637   0.58973329 0.0072098694 
+    8000   0.72653213   0.12783368   0.85436581  0.023907183 
+    9000   0.87685727    0.1239819    1.0008392 0.0064590959 
+   10000    0.7250918  0.097243508   0.82233531 0.0012448267 
+   11000   0.62302234   0.05597557   0.67899791 0.00080239872 
+   12000   0.57159363   0.18199602   0.75358965   0.01033626 
+   13000    0.7505295  0.071545266   0.82207477  0.011480236 
+   14000   0.84703598   0.15914379    1.0061798  0.032814039 
+   15000   0.41905013  0.090552572    0.5096027  0.015717153 
+   16000   0.41805189  0.042916881   0.46096877  0.020702707 
+   17000   0.59966233   0.05285043   0.65251275  0.016526024 
+   18000   0.54282285   0.20835047   0.75117332  0.036414059 
+   19000     0.777922  0.034754101    0.8126761  0.036467537 
+   20000   0.54703924   0.14633506    0.6933743  0.012917248 
+   21000   0.49337931    0.1858754   0.67925471  0.037890735 
+   22000   0.64916623   0.19281344   0.84197967  0.011996773 
+   23000   0.66958738   0.20459682    0.8741842  0.023639466 
+   24000   0.63729755    0.1111959   0.74849345  0.025049919 
+   25000   0.60094316   0.13375799   0.73470115  0.035286376 
+   26000   0.35419589   0.22049451    0.5746904 0.0024215291 
+   27000   0.33789786   0.18494942   0.52284728 0.0066457643 
+   28000   0.32376056   0.13151726   0.45527782  0.010773856 
+   29000   0.36198203   0.11044834   0.47243037  0.063012638 
+   30000   0.22624436   0.19690087   0.42314523  0.037422734 
+   31000   0.32284312  0.059623656   0.38246677    0.0287682 
+   32000    0.4457193  0.042396136   0.48811544  0.022025252 
+   33000   0.61078662  0.059447221   0.67023384  0.030335089 
+   34000   0.63157762  0.062056279    0.6936339  0.044624352 
+   35000   0.69577644  0.086216204   0.78199264    0.0319995 
+   36000   0.76814336  0.062105963   0.83024933  0.044316891 
+   37000   0.58641664  0.095034548   0.68145119   0.03234133 
+   38000   0.48772813   0.12911854   0.61684667  0.038732146 
+   39000   0.74957742   0.09823432   0.84781174  0.053181162 
+   40000   0.57881374    0.2932491   0.87206284  0.065740126 
+   41000    0.4415176   0.22899179   0.67050939  0.026159841 
+   42000    0.5260339    0.2048105    0.7308444  0.046294432 
+   43000   0.33493572   0.32500572   0.65994144  -0.01250241 
+   44000   0.46467243   0.07907132   0.54374375   0.13386238 
+   45000   0.48135518    0.2618908   0.74324598 -0.016767159 
+   46000   0.27223209   0.24562643   0.51785852  0.052118439 
+   47000   0.26402739    0.1838767   0.44790409 -0.0015878764 
+   48000   0.10229166   0.25519169   0.35748335 -0.033927088 
+   49000   0.24313495   0.16578185   0.40891679   0.12414926 
+   50000   0.27400066   0.27688032   0.55088098   0.10421157 
+   51000   0.43081855   0.18111733   0.61193587   0.16373371 
+   52000   0.81969298  0.060995894   0.88068887  0.057285357 
+   53000   0.99936159  0.029137886    1.0284995   0.19425015 
+   54000   0.69750047  0.038079774   0.73558024 -0.089236384 
+   55000   0.54823746  0.056369886   0.60460734 -0.021320579 
+   56000    0.6752322  0.050322917   0.72555512   0.25303548 
+   57000   0.90328009  0.061107142   0.96438723   -0.1962713 
+   58000   0.81463148  0.050387847   0.86501933   0.35952157 
+   59000   0.61636455  0.064910223   0.68127478  -0.27208497 
+   60000   0.62573918  0.052264617   0.67800379    0.4493407 
+   61000   0.81065726  0.071269668   0.88192693  -0.34643283 
+   62000   0.86420318  0.052799365   0.91700254   0.48308047 
+   63000   0.67848508  0.069087342   0.74757242  -0.31814526 
+   64000   0.61430417  0.052109373   0.66641354   0.38336646 
+   65000   0.75782937  0.063488206   0.82131757  -0.19113322 
+   66000   0.88735857  0.051779306   0.93913787   0.29410996 
+   67000   0.70684373  0.061786313   0.76863005  -0.16503578 
+   68000   0.58571951  0.052402151   0.63812166   0.30173228 
+   69000   0.64997491  0.064435462   0.71441037   -0.1920633 
+   70000   0.75071821  0.053416991    0.8041352    0.3846747 
+   71000    0.8124718   0.06877986   0.88125166  -0.26852566 
+   72000   0.71352066   0.05358784    0.7671085   0.41321806 
+   73000   0.55151827  0.066470642   0.61798891   -0.2211738 
+   74000   0.65473635  0.061946814   0.71668316   0.29536873 
+   75000   0.88704613  0.059476353   0.94652248   -0.0312656 
+   76000   0.76899803  0.057351665    0.8263497  0.017885214 
+   77000   0.65149455   0.05407174   0.70556629   0.25192449 
+   78000   0.68614394  0.074251169   0.76039511  -0.19369404 
+   79000   0.97451567   0.06262739    1.0371431    0.4217182 
+   80000   0.88207775  0.070157004   0.95223476  -0.27318477 
+   81000   0.69294455  0.062623957   0.75556851   0.40150141 
+   82000   0.70748016  0.073924331   0.78140449  -0.17128794 
+   83000   0.78180774  0.063513978   0.84532172   0.22033652 
+   84000   0.80170993  0.065812223   0.86752216  0.083202913 
+   85000   0.64788122  0.070348079    0.7182293 -0.066913668 
+   86000   0.56575431  0.064865112   0.63061942   0.33905786 
+   87000   0.78205358   0.07983702    0.8618906  -0.22844912 
+   88000   0.87426443  0.065703482   0.93996791     0.448573 
+   89000   0.73269893  0.079827385   0.81252632  -0.24183162 
+   90000   0.66703106  0.065630146   0.73266121   0.35410109 
+   91000   0.73107154   0.07402702   0.80509856 -0.085492997 
+   92000     1.043635  0.067156523    1.1107915   0.14311135 
+   93000   0.86063344  0.065607238   0.92624068   0.20750649 
+   94000   0.68304235  0.075962239   0.75900459  -0.14594625 
+   95000    0.7069191  0.067125732   0.77404483   0.39459759 
+   96000   0.79860046  0.090957588   0.88955805  -0.24202125 
+   97000   0.81366777  0.071387081   0.88505485   0.32217266 
+   98000   0.61885746  0.041524228   0.66038169   0.31635364 
+   99000   0.57007759  0.055438456   0.62551604  -0.21172902 
+  100000   0.80462394  0.045542313   0.85016626  0.099207503 
+Loop time of 6.34495 on 1 procs for 100000 steps with 32 atoms
+
+Performance: 1361713.788 tau/day, 15760.576 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.0158     | 5.0158     | 5.0158     |   0.0 | 79.05
+Neigh   | 0.0072868  | 0.0072868  | 0.0072868  |   0.0 |  0.11
+Comm    | 0.18669    | 0.18669    | 0.18669    |   0.0 |  2.94
+Output  | 0.00098681 | 0.00098681 | 0.00098681 |   0.0 |  0.02
+Modify  | 1.0417     | 1.0417     | 1.0417     |   0.0 | 16.42
+Other   |            | 0.09245    |            |       |  1.46
+
+Nlocal:    32 ave 32 max 32 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    35 ave 35 max 35 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    61 ave 61 max 61 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 61
+Ave neighs/atom = 1.90625
+Neighbor list builds = 1545
+Dangerous builds = 0
+Total wall time: 0:00:06
diff --git a/examples/body/log.27Nov18.squares.g++.4 b/examples/body/log.27Nov18.squares.g++.4
new file mode 100644
index 0000000000..62c6206677
--- /dev/null
+++ b/examples/body/log.27Nov18.squares.g++.4
@@ -0,0 +1,222 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d rounded polygon bodies
+
+variable    r     index 4
+variable    steps index 100000
+variable    T     index 0.5
+variable    P     index 0.1
+variable    seed  index 980411
+
+units       lj
+dimension   2
+
+atom_style  body rounded/polygon 1 6
+atom_modify map array
+read_data   data.squares
+  orthogonal box = (0 0 -0.5) to (12 12 0.5)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  2 atoms
+  2 bodies
+
+replicate   $r $r 1
+replicate   4 $r 1
+replicate   4 4 1
+  orthogonal box = (0 0 -0.5) to (48 48 0.5)
+  2 by 2 by 1 MPI processor grid
+  32 atoms
+  Time spent = 0.000400782 secs
+
+velocity    all create $T ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 980411 dist gaussian mom yes rot yes
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 2
+variable c_n        equal 1
+variable c_t        equal 1
+variable mu         equal 0.1
+variable delta_ua   equal 0.5
+
+pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 0.5 ${cut_inner}
+pair_style body/rounded/polygon 1 1 0.1 0.5 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 2
+
+comm_modify vel yes
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+#fix         1 all nve/body
+#fix         1 all nvt/body temp $T $T 1.0
+fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 0.1 1.0 couple xy fixedpoint 0 0 0
+
+fix          2 all enforce2d
+
+#compute      1 all body/local id 1 2 3
+#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
+
+thermo_style custom step ke pe etotal press
+thermo       1000
+
+#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
+#dump_modify  2 pad 6
+
+run          ${steps}
+run          100000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.15685
+  ghost atom cutoff = 6.15685
+  binsize = 3.07843, bins = 16 16 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/rounded/polygon, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.774 | 4.774 | 4.774 Mbytes
+Step KinEng PotEng TotEng Press 
+       0     0.484375         0.25     0.734375 0.0067274306 
+    1000   0.38428256 0.0014168922   0.38569945 0.0020468171 
+    2000   0.41372193  0.015263236   0.42898517 0.0029343462 
+    3000   0.54844547  0.014870378   0.56331585  0.001978353 
+    4000   0.73816048  0.031668204   0.76982869 0.0025939718 
+    5000   0.84536165  0.011504649    0.8568663 0.0037990517 
+    6000   0.73776478   0.14445932    0.8822241 0.0086538113 
+    7000   0.52022565  0.069507637   0.58973329 0.0072098694 
+    8000   0.72653213   0.12783367   0.85436581  0.023907185 
+    9000   0.87685728   0.12398193    1.0008392 0.0064591005 
+   10000   0.72509641  0.097241969   0.82233837 0.0012418726 
+   11000   0.62314955  0.056042914   0.67919247 0.0018880786 
+   12000   0.57157436   0.18187429   0.75344865 0.0096135623 
+   13000    0.7489742   0.08262775   0.83160195  0.009183917 
+   14000   0.78835138   0.18761048   0.97596186  0.023684357 
+   15000   0.40408761  0.079431327   0.48351893  0.025285348 
+   16000    0.4071013   0.13207058   0.53917188   0.02015488 
+   17000   0.48417067   0.16699781   0.65116848  0.059188189 
+   18000   0.60038567   0.18317457   0.78356024 -0.046456387 
+   19000   0.73796958  0.064271521    0.8022411  0.090257204 
+   20000   0.62508659   0.14486336   0.76994994   0.04948543 
+   21000    0.5596837   0.10018831   0.65987201  0.044961962 
+   22000   0.30731517    0.1386103   0.44592547  0.015096596 
+   23000   0.34371843    0.1486761   0.49239453  0.026100892 
+   24000   0.33484204   0.25428479   0.58912683   0.01974393 
+   25000   0.48714744   0.32743616    0.8145836  0.037925893 
+   26000   0.33255994   0.29851422   0.63107417  0.049419529 
+   27000   0.21735889   0.18816203   0.40552093  0.050622152 
+   28000   0.31911317   0.12559898   0.44471215 -0.0036236361 
+   29000   0.53280161  0.055185441   0.58798705  0.083856225 
+   30000   0.52916941   0.28697284   0.81614225  0.055873213 
+   31000   0.47861645   0.21932568   0.69794214   0.02762301 
+   32000   0.46786314  0.041856438   0.50971958  0.029923804 
+   33000   0.69944716  0.039356744    0.7388039  0.028174645 
+   34000   0.39964317    0.1027175   0.50236068  0.039495865 
+   35000   0.70199237   0.10421859   0.80621095  0.015943417 
+   36000   0.45053533  0.078626602   0.52916193 0.0073950287 
+   37000   0.41587918  0.056551665   0.47243084  0.034091318 
+   38000   0.58663473  0.039228671    0.6258634  0.033093641 
+   39000   0.72480658   0.14792564   0.87273222  0.030903741 
+   40000   0.51163285   0.13445292   0.64608577  -0.03114559 
+   41000   0.56273761   0.16720374   0.72994135  0.027968528 
+   42000   0.61850184   0.10584389   0.72434573 -0.036301799 
+   43000   0.60039772   0.11984289   0.72024062  0.080894236 
+   44000   0.57499839  0.068211092   0.64320948  0.049726122 
+   45000   0.69937239   0.16287141    0.8622438  0.044921114 
+   46000   0.23303785    0.2391726   0.47221045  0.021668935 
+   47000   0.27051781   0.10690378   0.37742159   0.11963476 
+   48000     0.408895  0.079919688   0.48881469  0.087484004 
+   49000   0.74363181  0.040819422   0.78445123  0.011937456 
+   50000   0.84482316   0.10205256   0.94687572  0.064133262 
+   51000   0.84923574  0.089882984   0.93911872  0.062696388 
+   52000   0.66278324    0.0331554   0.69593864  0.035150337 
+   53000   0.64737251  0.039608076   0.68698058  0.057687461 
+   54000   0.68931435  0.042661403   0.73197576  0.069664795 
+   55000   0.84523308   0.10293275   0.94816583  0.047343755 
+   56000   0.80033937    0.1534797   0.95381907  0.070206074 
+   57000    0.6214799    0.1174575    0.7389374  0.078530452 
+   58000   0.64228495  0.088089896   0.73037485  0.060245994 
+   59000   0.89376363  0.065171887   0.95893552  0.071658895 
+   60000   0.90162992  0.016564761   0.91819468  0.089245946 
+   61000   0.72439995 0.0076508835   0.73205083  0.031430213 
+   62000   0.71590702 0.0046728326   0.72057986   0.10153514 
+   63000   0.74491219 0.0046757926   0.74958798  0.077145851 
+   64000   0.77173614  0.008265632   0.78000178 -0.049932265 
+   65000   0.72789092 0.0053605745   0.73325149   0.27060389 
+   66000   0.63001101  0.013871945   0.64388296  -0.17766692 
+   67000   0.65887071 0.0069105692   0.66578128   0.31632918 
+   68000   0.89042862 0.0026334652   0.89306209 -0.050495873 
+   69000   0.83442374 0.0059232957   0.84034703  -0.21871692 
+   70000   0.65149642  0.004885383   0.65638181   0.50428108 
+   71000   0.66888808   0.01125057   0.68013865  -0.29575772 
+   72000   0.74941609 0.0026616299   0.75207772   0.34800716 
+   73000    0.7898844 0.0048982026    0.7947826 -0.096872644 
+   74000   0.68823538 0.0021467794   0.69038216   0.12272852 
+   75000    0.5238808 0.0046112795   0.52849208   0.25760316 
+   76000   0.65512889  0.014567969   0.66969686  -0.24622674 
+   77000   0.82292373 0.0092471048   0.83217083    0.4002304 
+   78000   0.76305221   0.01101937   0.77407158  -0.10704945 
+   79000   0.66279814 0.0090486405   0.67184678  0.037466134 
+   80000   0.65808885  0.010000569   0.66808942   0.31742291 
+   81000   0.91357798  0.046226814   0.95980479  -0.20945693 
+   82000   0.87611859 -0.016794871   0.85932372   0.31759733 
+   83000   0.66285455 -0.017921021   0.64493353   0.27065273 
+   84000   0.67460715 -0.0076174891   0.66698966 -0.024772659 
+   85000   0.77786135 0.0014316505     0.779293  -0.21635327 
+   86000   0.83246393  0.087489797   0.91995372  -0.13431455 
+   87000   0.62935573  0.045088823   0.67444455  0.037766395 
+   88000   0.55264538 -0.024625272   0.52802011   0.18121213 
+   89000   0.74171392 -0.012629926     0.729084  -0.27666424 
+   90000   0.82542165  -0.02296567   0.80245598  -0.30497174 
+   91000   0.72958657 -0.026275093   0.70331147  -0.27624518 
+   92000    0.6319558  0.022568297   0.65452409  -0.33539318 
+   93000   0.66685301  0.021889807   0.68874282  -0.39890762 
+   94000   0.91243243 0.0078218509   0.92025428  -0.27213648 
+   95000   0.81125179 -0.0096756295   0.80157616 -0.099802335 
+   96000   0.63354907 -0.018329423   0.61521965   0.18199604 
+   97000   0.66812347 -0.016650228   0.65147324   0.49878257 
+   98000   0.81490013 -0.0049164866   0.80998365  -0.13473106 
+   99000   0.82131147 0.0043198846   0.82563136   -0.3083957 
+  100000   0.50880983 -0.010467027    0.4983428  0.060606332 
+Loop time of 4.3169 on 4 procs for 100000 steps with 32 atoms
+
+Performance: 2001435.573 tau/day, 23164.764 timesteps/s
+95.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2078     | 1.3972     | 1.6653     |  15.1 | 32.36
+Neigh   | 0.0030954  | 0.003284   | 0.0034814  |   0.3 |  0.08
+Comm    | 1.074      | 1.3595     | 1.6003     |  16.2 | 31.49
+Output  | 0.001703   | 0.0030067  | 0.0068843  |   4.1 |  0.07
+Modify  | 1.2071     | 1.2647     | 1.3062     |   3.6 | 29.30
+Other   |            | 0.2893     |            |       |  6.70
+
+Nlocal:    8 ave 9 max 6 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    17.75 ave 20 max 16 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+Neighs:    14 ave 18 max 7 min
+Histogram: 1 0 0 0 0 0 0 1 1 1
+
+Total # of neighbors = 56
+Ave neighs/atom = 1.75
+Neighbor list builds = 1566
+Dangerous builds = 0
+Total wall time: 0:00:04
diff --git a/examples/body/log.27Nov18.wall2d.g++.1 b/examples/body/log.27Nov18.wall2d.g++.1
new file mode 100644
index 0000000000..1987280bee
--- /dev/null
+++ b/examples/body/log.27Nov18.wall2d.g++.1
@@ -0,0 +1,224 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d rounded polygon bodies
+
+variable    r     index 4
+variable    steps index 100000
+variable    T     index 0.5
+variable    P     index 0.1
+variable    seed  index 980411
+
+units       lj
+dimension   2
+
+atom_style  body rounded/polygon 1 6
+atom_modify map array
+read_data   data.squares
+  orthogonal box = (0 0 -0.5) to (12 12 0.5)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2 atoms
+  2 bodies
+
+replicate   $r $r 1
+replicate   4 $r 1
+replicate   4 4 1
+  orthogonal box = (0 0 -0.5) to (48 48 0.5)
+  1 by 1 by 1 MPI processor grid
+  32 atoms
+  Time spent = 0.000318766 secs
+
+velocity    all create $T ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 980411 dist gaussian mom yes rot yes
+
+change_box  all boundary p f p
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 2
+variable c_n        equal 0.1
+variable c_t        equal 0.1
+variable mu         equal 0.1
+variable delta_ua   equal 0.5
+
+pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 2
+
+comm_modify vel yes
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+#fix         1 all nve/body
+#fix         1 all nvt/body temp $T $T 1.0
+fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0 fixedpoint 0 0 0
+
+fix          2 all enforce2d
+fix          3 all wall/body/polygon 2000 50 50 yplane 0.0 48.0
+
+#compute      1 all body/local id 1 2 3
+#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
+
+thermo_style custom step ke pe etotal press
+thermo       1000
+
+#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
+#dump_modify  2 pad 6
+
+run          ${steps}
+run          100000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.15685
+  ghost atom cutoff = 6.15685
+  binsize = 3.07843, bins = 16 16 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/rounded/polygon, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.771 | 4.771 | 4.771 Mbytes
+Step KinEng PotEng TotEng Press 
+       0     0.484375         0.25     0.734375 0.0067274306 
+    1000   0.51467204 0.00099202506   0.51566407  0.013452386 
+    2000   0.55674899 0.0040762275   0.56082522 0.0034529066 
+    3000    0.7546177   0.02259362   0.77721132  0.003650781 
+    4000   0.72710218   0.10284108   0.82994326 0.0059629371 
+    5000    0.5771012  0.069052145   0.64615335 0.00053937622 
+    6000   0.53848154  0.041891239   0.58037277 0.0018693312 
+    7000   0.61777556  0.033379829   0.65115538 0.0027584418 
+    8000   0.47427227  0.059558934    0.5338312  0.017087187 
+    9000   0.46822364  0.064382578   0.53260622  0.023258465 
+   10000   0.46511051  0.027799371   0.49290988  0.015319493 
+   11000   0.58686703  0.088016891   0.67488392 0.0088428936 
+   12000   0.49962603   0.09879099   0.59841702 0.00074311497 
+   13000   0.53160049  0.069625775   0.60122626  0.017019775 
+   14000   0.49574902  0.041214164   0.53696318 0.0060355978 
+   15000   0.56620415   0.13621516   0.70241931  0.045583297 
+   16000   0.40942564   0.11469877   0.52412441  0.029905784 
+   17000     0.608066  0.096938921   0.70500493  0.018509814 
+   18000   0.45622168  0.057018077   0.51323975 0.0034035281 
+   19000   0.48763322  0.057832224   0.54546545 0.0022972169 
+   20000   0.41577025   0.14480819   0.56057844  0.023882542 
+   21000   0.58565738    0.1601676   0.74582498   0.01702799 
+   22000   0.60430354   0.16740706    0.7717106 -0.0047632836 
+   23000   0.45659601   0.13740896   0.59400497    0.0191143 
+   24000   0.42741367   0.25490516   0.68231884  0.051459175 
+   25000   0.40851048  0.077823072   0.48633355  0.024392284 
+   26000   0.53392894   0.14504323   0.67897217  0.028964572 
+   27000   0.39775205   0.13101153   0.52876358 0.0080564916 
+   28000   0.63138106   0.17706612   0.80844718  0.017594524 
+   29000   0.57897788   0.26855503   0.84753292  0.019310624 
+   30000   0.37401002    0.2274666   0.60147663 0.0044804008 
+   31000   0.60924323   0.23142663   0.84066986  0.088271242 
+   32000   0.60310397   0.35719837   0.96030234 0.0096762289 
+   33000   0.47468105   0.17727177   0.65195282 0.0078486602 
+   34000   0.42270829   0.20131235   0.62402064  0.090216203 
+   35000   0.49578606    0.1697981   0.66558416  0.079099134 
+   36000   0.50744538   0.29600416   0.80344954  0.018819487 
+   37000   0.66728184   0.28166655   0.94894838  -0.01679437 
+   38000   0.38972905   0.25798163   0.64771068  0.040442456 
+   39000   0.38292839   0.21774389   0.60067228  0.016754932 
+   40000   0.61770336   0.34202184    0.9597252   0.10986262 
+   41000   0.42252651   0.13424708    0.5567736  0.040987711 
+   42000   0.67513868   0.29515562    0.9702943 0.0013757417 
+   43000   0.36768915   0.20349753   0.57118668  0.031443504 
+   44000   0.49371025  0.095615653    0.5893259  0.032289477 
+   45000   0.42144079   0.28894639   0.71038718  0.040302569 
+   46000   0.36360136   0.33117431   0.69477567  0.010881881 
+   47000    0.4206309   0.19557595   0.61620685  0.051137535 
+   48000    0.4131465   0.37027912   0.78342561   0.11903042 
+   49000     0.544703   0.38013565   0.92483865  0.054939742 
+   50000   0.47394272   0.32384493   0.79778764  0.088363602 
+   51000   0.55377533   0.38103395   0.93480927  0.097981664 
+   52000   0.60648433   0.30877364   0.91525797  0.088877781 
+   53000   0.62933509   0.33187159   0.96120668   0.10275954 
+   54000   0.55077522   0.39050008   0.94127529  0.066721412 
+   55000   0.41646397   0.34545572   0.76191969  0.011056796 
+   56000   0.44244954   0.39274744   0.83519698  0.039963853 
+   57000   0.41963092   0.33483982   0.75447073  0.032555938 
+   58000   0.37941475   0.36905323   0.74846798  0.043952263 
+   59000   0.53008564   0.32843795   0.85852359  0.080787301 
+   60000   0.43408908   0.19840268   0.63249176   0.06421165 
+   61000   0.56287814   0.31500577   0.87788391   0.12031895 
+   62000    0.5185192   0.18275672   0.70127592 -0.0086212356 
+   63000   0.57275413   0.45147395    1.0242281  0.054617465 
+   64000   0.28322907   0.33687722   0.62010629   0.07268947 
+   65000   0.40230876   0.37989067   0.78219943 -0.029604066 
+   66000   0.58601209   0.52721274    1.1132248 -0.00037054404 
+   67000   0.52669356   0.44276199   0.96945554   0.18969356 
+   68000   0.41566831   0.47320489    0.8888732  0.040635264 
+   69000   0.52140574    0.4261935   0.94759923  0.016566201 
+   70000   0.42034133   0.55867009   0.97901142  0.047465899 
+   71000   0.48720036   0.43749264     0.924693   0.15984789 
+   72000    0.5244238   0.55854139    1.0829652   0.10155994 
+   73000   0.69990219   0.57313852    1.2730407   0.11108648 
+   74000   0.38274347   0.23359664   0.61634011  0.027968087 
+   75000   0.47493369   0.49472607   0.96965976   0.10961568 
+   76000   0.57064727   0.37996383    0.9506111  0.034746271 
+   77000   0.50401727   0.34437588   0.84839315  0.015116686 
+   78000   0.59504118   0.44154772    1.0365889  0.059341875 
+   79000    0.4920801   0.58935767    1.0814378   0.12139906 
+   80000   0.56992818   0.38916606   0.95909424  0.073618074 
+   81000   0.38446945   0.77314417    1.1576136   0.12173381 
+   82000   0.48734531   0.56198203    1.0493273    0.1080115 
+   83000    0.5516933   0.56743096    1.1191243   0.13936805 
+   84000   0.53336893   0.62914863    1.1625176 0.0084970895 
+   85000   0.46456977   0.77446084    1.2390306   0.18024688 
+   86000   0.58067599   0.53109608    1.1117721  0.012492021 
+   87000   0.55096446   0.61715622    1.1681207   0.13264723 
+   88000   0.56548774   0.74463701    1.3101247   0.14491188 
+   89000   0.52492634   0.58482194    1.1097483   0.21155245 
+   90000   0.64973565   0.85514474    1.5048804  0.036911953 
+   91000   0.55367722   0.74046971    1.2941469   0.23918851 
+   92000   0.44863249   0.56773761    1.0163701 0.00042860088 
+   93000   0.64728356   0.66594086    1.3132244 0.0022850006 
+   94000   0.65255497   0.82136644    1.4739214   0.10037643 
+   95000   0.62266654   0.82642147     1.449088   0.11964602 
+   96000   0.50656004   0.83312844    1.3396885  0.078491084 
+   97000   0.47126712   0.70469684     1.175964   0.12956056 
+   98000   0.48661103    1.0121726    1.4987837  0.043537851 
+   99000   0.48379797    0.9520931    1.4358911  0.082047522 
+  100000   0.54266361    1.0959698    1.6386334  -0.13092175 
+Loop time of 3.8532 on 1 procs for 100000 steps with 32 atoms
+
+Performance: 2242290.202 tau/day, 25952.433 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.3917     | 2.3917     | 2.3917     |   0.0 | 62.07
+Neigh   | 0.012386   | 0.012386   | 0.012386   |   0.0 |  0.32
+Comm    | 0.11307    | 0.11307    | 0.11307    |   0.0 |  2.93
+Output  | 0.0010369  | 0.0010369  | 0.0010369  |   0.0 |  0.03
+Modify  | 1.246      | 1.246      | 1.246      |   0.0 | 32.34
+Other   |            | 0.08895    |            |       |  2.31
+
+Nlocal:    32 ave 32 max 32 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    21 ave 21 max 21 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    55 ave 55 max 55 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 55
+Ave neighs/atom = 1.71875
+Neighbor list builds = 2886
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/body/log.27Nov18.wall2d.g++.4 b/examples/body/log.27Nov18.wall2d.g++.4
new file mode 100644
index 0000000000..d9a27cb1e4
--- /dev/null
+++ b/examples/body/log.27Nov18.wall2d.g++.4
@@ -0,0 +1,224 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d rounded polygon bodies
+
+variable    r     index 4
+variable    steps index 100000
+variable    T     index 0.5
+variable    P     index 0.1
+variable    seed  index 980411
+
+units       lj
+dimension   2
+
+atom_style  body rounded/polygon 1 6
+atom_modify map array
+read_data   data.squares
+  orthogonal box = (0 0 -0.5) to (12 12 0.5)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  2 atoms
+  2 bodies
+
+replicate   $r $r 1
+replicate   4 $r 1
+replicate   4 4 1
+  orthogonal box = (0 0 -0.5) to (48 48 0.5)
+  2 by 2 by 1 MPI processor grid
+  32 atoms
+  Time spent = 0.000329733 secs
+
+velocity    all create $T ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
+velocity    all create 0.5 980411 dist gaussian mom yes rot yes
+
+change_box  all boundary p f p
+
+variable cut_inner  equal 0.5
+variable k_n        equal 100
+variable k_na       equal 2
+variable c_n        equal 0.1
+variable c_t        equal 0.1
+variable mu         equal 0.1
+variable delta_ua   equal 0.5
+
+pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 ${mu} ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 ${delta_ua} ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 ${cut_inner}
+pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 0.5
+pair_coeff * * ${k_n} ${k_na}
+pair_coeff * * 100 ${k_na}
+pair_coeff * * 100 2
+
+comm_modify vel yes
+
+neighbor     0.5 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep     0.001
+
+#fix         1 all nve/body
+#fix         1 all nvt/body temp $T $T 1.0
+fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
+fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0 fixedpoint 0 0 0
+
+fix          2 all enforce2d
+fix          3 all wall/body/polygon 2000 50 50 yplane 0.0 48.0
+
+#compute      1 all body/local id 1 2 3
+#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
+
+thermo_style custom step ke pe etotal press
+thermo       1000
+
+#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
+#dump_modify  2 pad 6
+
+run          ${steps}
+run          100000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 6.15685
+  ghost atom cutoff = 6.15685
+  binsize = 3.07843, bins = 16 16 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair body/rounded/polygon, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.773 | 4.773 | 4.773 Mbytes
+Step KinEng PotEng TotEng Press 
+       0     0.484375         0.25     0.734375 0.0067274306 
+    1000   0.51467204 0.00099202506   0.51566407  0.013452386 
+    2000   0.55674899 0.0040762275   0.56082522 0.0034529066 
+    3000    0.7546177   0.02259362   0.77721132  0.003650781 
+    4000   0.72710218   0.10284108   0.82994326 0.0059629371 
+    5000   0.57710119  0.069052154   0.64615335 0.00053937664 
+    6000   0.53848104  0.041891152   0.58037219 0.0018693259 
+    7000   0.61777485  0.033380825   0.65115568 0.0027584782 
+    8000   0.47427732  0.059553658   0.53383098  0.017087698 
+    9000   0.46820943  0.064379697   0.53258913   0.02325702 
+   10000   0.46605511   0.02332689     0.489382  0.013699209 
+   11000   0.57547516  0.090133398   0.66560855 0.0083913962 
+   12000     0.465348  0.084853345   0.55020135  0.006231552 
+   13000   0.55340889   0.07116165   0.62457054  0.030622563 
+   14000   0.58866362  0.052281859   0.64094548 0.0079106838 
+   15000   0.51757672   0.12255618    0.6401329  0.014005369 
+   16000   0.42696011  0.086987541   0.51394765 -0.0017128649 
+   17000   0.37612579   0.13054778   0.50667357 0.0046284992 
+   18000   0.47659682   0.14670523   0.62330205   0.02206928 
+   19000   0.47897909   0.15540332   0.63438241   0.02544138 
+   20000   0.59377323   0.15357757    0.7473508  0.030262926 
+   21000   0.52781204   0.22074491   0.74855695 -0.0022170167 
+   22000   0.44843285   0.12779345    0.5762263 0.0097268482 
+   23000   0.60400735   0.18098124   0.78498858   0.05778325 
+   24000   0.58254338    0.1570243   0.73956769  0.022530491 
+   25000   0.60524318   0.23660272    0.8418459  0.062530421 
+   26000   0.45892702   0.34294121   0.80186823  0.038657393 
+   27000   0.58418023   0.19551937    0.7796996 -0.0055396645 
+   28000   0.45655369   0.26718934   0.72374303  0.006593108 
+   29000   0.50277299    0.1747088   0.67748179  0.016059369 
+   30000   0.38640717    0.1631573   0.54956447  0.036055723 
+   31000   0.46944541   0.22076826   0.69021367  0.014334038 
+   32000   0.53862858   0.26867594   0.80730452  0.057406282 
+   33000   0.45666352   0.21796554   0.67462906  0.056555205 
+   34000   0.51644038   0.21866786   0.73510824     0.015713 
+   35000   0.50489584    0.1596236   0.66451945  0.040400644 
+   36000   0.41723489   0.16227853   0.57951342   0.02863261 
+   37000     0.481638   0.28830624   0.76994424  0.038381986 
+   38000    0.6036094   0.33479287   0.93840227 0.0032059452 
+   39000   0.47822122   0.18876355   0.66698476  0.029252649 
+   40000   0.54949607   0.35011086   0.89960693  0.093909148 
+   41000   0.54876522   0.27501735   0.82378257 -0.0084167014 
+   42000   0.67801592   0.18102522   0.85904114 -0.0058395209 
+   43000   0.54342066   0.34322081   0.88664146   0.12263806 
+   44000   0.46672513   0.29749157   0.76421671  0.051073701 
+   45000    0.4679867   0.25820875   0.72619545  0.069790993 
+   46000   0.59598501   0.22285276   0.81883777  0.050578807 
+   47000   0.48858341   0.29811577   0.78669917  0.080971431 
+   48000   0.41238073   0.29362937    0.7060101  0.031893588 
+   49000   0.61516435   0.33082609   0.94599044 -0.010710982 
+   50000   0.57576635   0.37137185   0.94713819  0.062160249 
+   51000   0.54614001   0.36960628   0.91574629 -0.0083424769 
+   52000   0.42232354   0.25214442   0.67446796  0.028666126 
+   53000   0.43025129   0.24479385   0.67504514  0.030342054 
+   54000   0.54614922   0.29602426   0.84217348  0.083070642 
+   55000   0.60719748    0.3577285   0.96492598  0.053799744 
+   56000   0.47073149   0.31070429   0.78143579  0.083895368 
+   57000   0.56861582   0.33249784   0.90111366  0.032324233 
+   58000   0.75061035   0.33313728    1.0837476  0.031039937 
+   59000   0.59473893   0.48870773    1.0834467  0.039503585 
+   60000   0.55252481   0.38350562   0.93603043 0.0027643882 
+   61000   0.45010855   0.43945065    0.8895592  0.028168222 
+   62000   0.63942467   0.53372899    1.1731537   0.13790959 
+   63000   0.69407873   0.37980402    1.0738828  0.035919608 
+   64000   0.54898275   0.39910419   0.94808693 0.0015016851 
+   65000   0.58229838   0.42300361     1.005302  0.089787193 
+   66000   0.53443537    0.5597136     1.094149 -0.015781756 
+   67000   0.59212426   0.56172146    1.1538457  0.030464683 
+   68000   0.68164926   0.48724393    1.1688932  0.071465948 
+   69000   0.59721737   0.49476309    1.0919805   0.07575647 
+   70000   0.52314551   0.31950477   0.84265028   0.11206672 
+   71000   0.53230509   0.53846575    1.0707708 0.0047204701 
+   72000   0.71341933    0.4924749    1.2058942     0.116568 
+   73000   0.70498496   0.54121008     1.246195   0.11210249 
+   74000   0.54188682   0.61729607    1.1591829  0.044083048 
+   75000   0.44073609   0.42072284   0.86145893 -0.041508511 
+   76000   0.51225567   0.36848317   0.88073884 -0.028636748 
+   77000    0.6517329    0.5503086    1.2020415  0.049605026 
+   78000   0.60053898   0.52760266    1.1281416  0.094361256 
+   79000   0.51560788   0.46563043   0.98123832  -0.03336136 
+   80000   0.53357884   0.60743981    1.1410186  0.027259883 
+   81000    0.6256228   0.40412923     1.029752  0.083274981 
+   82000    0.6903519   0.69599412     1.386346     0.168747 
+   83000   0.62621394   0.50082841    1.1270424   0.12294403 
+   84000    0.5682146   0.73827702    1.3064916  0.085884707 
+   85000   0.48179077   0.73669563    1.2184864  0.065002035 
+   86000   0.61101399   0.80673836    1.4177523  0.037555163 
+   87000   0.52278725   0.71608722    1.2388745  0.020943688 
+   88000   0.53318823   0.50916748    1.0423557  -0.01946691 
+   89000   0.56428713   0.56042234    1.1247095  0.040998134 
+   90000   0.58720508   0.66023073    1.2474358  0.040313529 
+   91000   0.61509407   0.86254343    1.4776375   0.15215034 
+   92000    0.5640475   0.57694543    1.1409929   0.10238679 
+   93000   0.60586378   0.67978456    1.2856483 -0.043948113 
+   94000   0.75406595   0.74795347    1.5020194  0.015341415 
+   95000    0.4974314   0.60192267    1.0993541 -0.018173218 
+   96000   0.50048302   0.82845218    1.3289352  0.045394283 
+   97000   0.65335222    0.6470855    1.3004377  0.011624967 
+   98000   0.65693072   0.45222133     1.109152   0.13763684 
+   99000   0.60573344   0.50284289    1.1085763   0.12853674 
+  100000   0.50677068   0.58143063    1.0882013   0.11351254 
+Loop time of 3.24642 on 4 procs for 100000 steps with 32 atoms
+
+Performance: 2661396.711 tau/day, 30803.203 timesteps/s
+94.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.64148    | 0.70244    | 0.76391    |   6.5 | 21.64
+Neigh   | 0.0049012  | 0.0050417  | 0.0052478  |   0.2 |  0.16
+Comm    | 0.79447    | 0.88412    | 0.97443    |   8.1 | 27.23
+Output  | 0.001776   | 0.0031438  | 0.0072262  |   4.2 |  0.10
+Modify  | 1.325      | 1.3684     | 1.4049     |   2.4 | 42.15
+Other   |            | 0.2833     |            |       |  8.73
+
+Nlocal:    8 ave 9 max 7 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    14 ave 15 max 13 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Neighs:    13.25 ave 16 max 11 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 53
+Ave neighs/atom = 1.65625
+Neighbor list builds = 2654
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/body/log.9Jul18.body.pour3d.g++.1 b/examples/body/log.9Jul18.body.pour3d.g++.1
deleted file mode 100644
index 213dd2e18f..0000000000
--- a/examples/body/log.9Jul18.body.pour3d.g++.1
+++ /dev/null
@@ -1,138 +0,0 @@
-LAMMPS (29 Jun 2018)
-# pouring 3d rounded polyhedron bodies
-
-variable    steps index 6000
-
-units       lj
-boundary    p p fm
-comm_modify vel yes
-
-atom_style  body rounded/polyhedron 1 8
-atom_modify map array
-
-region		reg block 0 50 0 50 0 50 units box
-create_box	4 reg
-Created orthogonal box = (0 0 0) to (50 50 50)
-  1 by 1 by 1 MPI processor grid
-
-variable cut_inner  equal 0.5
-variable k_n        equal 100
-variable k_na       equal 5
-variable c_n        equal 20
-variable c_t        equal 5
-variable mu         equal 0
-variable A_ua       equal 1
-
-pair_style body/rounded/polyhedron ${c_n} ${c_t} ${mu} ${A_ua} ${cut_inner}
-pair_style body/rounded/polyhedron 20 ${c_t} ${mu} ${A_ua} ${cut_inner}
-pair_style body/rounded/polyhedron 20 5 ${mu} ${A_ua} ${cut_inner}
-pair_style body/rounded/polyhedron 20 5 0 ${A_ua} ${cut_inner}
-pair_style body/rounded/polyhedron 20 5 0 1 ${cut_inner}
-pair_style body/rounded/polyhedron 20 5 0 1 0.5
-pair_coeff * * ${k_n} ${k_na}
-pair_coeff * * 100 ${k_na}
-pair_coeff * * 100 5
-
-neighbor     0.5 bin
-neigh_modify every 1 delay 0 check yes
-
-timestep     0.001
-
-fix          1 all nve/body
-fix          2 all gravity 1.0 spherical 0.0 -180.0
-
-molecule     object molecule.cube molecule.tetra toff 1              molecule.rod3d toff 2 molecule.point3d toff 3
-Read molecule object:
-  1 atoms with max type 1
-  0 bonds with max type 0
-  0 angles with max type 0
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-Read molecule object:
-  1 atoms with max type 2
-  0 bonds with max type 0
-  0 angles with max type 0
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-Read molecule object:
-  1 atoms with max type 3
-  0 bonds with max type 0
-  0 angles with max type 0
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-Read molecule object:
-  1 atoms with max type 4
-  0 bonds with max type 0
-  0 angles with max type 0
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-
-region       slab block 5 45 5 45 25 35 units box
-fix          ins all pour 500 0 4767548 vol 0.4 10 region slab mol object              molfrac 0.25 0.25 0.25 0.25
-Particle insertion: 134 every 4472 steps, 500 by step 13417
-
-fix          4 all wall/body/polyhedron 2000 50 50 zplane 0.0 NULL
-
-#compute      1 all body/local type 1 2 3
-#dump         1 all local 1000 dump.polyhedron index c_1[1] c_1[2] c_1[3] c_1[4]
-#dump         10 all custom 1000 tmp.dump id type x y z radius
-
-thermo_style custom step atoms ke pe etotal press
-
-thermo       1000
-
-#dump	     2 all image 500 image.*.jpg type type #	     zoom 1.5 adiam 1.5 body type 0 0 view 75 15
-#dump_modify  2 pad 6
-
-run	     ${steps}
-run	     6000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 5
-  ghost atom cutoff = 5
-  binsize = 2.5, bins = 20 20 20
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair body/rounded/polyhedron, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 0.5065 | 0.5065 | 0.5065 Mbytes
-Step Atoms KinEng PotEng TotEng Press 
-       0        0           -0            0            0            0 
-    1000      134           -0 0.00083010524 0.00083010524 -2.1515152e-06 
-    2000      134           -0 -0.00069962476 -0.00069962476 -1.4170663e-08 
-    3000      134           -0 -0.00069962687 -0.00069962687 -4.1478181e-11 
-    4000      134           -0 -0.00069962687 -0.00069962687 -1.2141026e-13 
-    5000      268           -0  0.014969705  0.014969705 3.0797164e-05 
-    6000      268           -0  0.042467887  0.042467887 0.00056148005 
-Loop time of 0.634737 on 1 procs for 6000 steps with 268 atoms
-
-Performance: 816716.196 tau/day, 9452.734 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.41391    | 0.41391    | 0.41391    |   0.0 | 65.21
-Neigh   | 0.010547   | 0.010547   | 0.010547   |   0.0 |  1.66
-Comm    | 0.0030921  | 0.0030921  | 0.0030921  |   0.0 |  0.49
-Output  | 0.00011492 | 0.00011492 | 0.00011492 |   0.0 |  0.02
-Modify  | 0.19736    | 0.19736    | 0.19736    |   0.0 | 31.09
-Other   |            | 0.009719   |            |       |  1.53
-
-Nlocal:    268 ave 268 max 268 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    3 ave 3 max 3 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    68 ave 68 max 68 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 68
-Ave neighs/atom = 0.253731
-Neighbor list builds = 168
-Dangerous builds = 0
-
-
-Total wall time: 0:00:00
diff --git a/examples/body/log.9Jul18.body.squares.g++.1 b/examples/body/log.9Jul18.body.squares.g++.1
deleted file mode 100644
index 7b539797bd..0000000000
--- a/examples/body/log.9Jul18.body.squares.g++.1
+++ /dev/null
@@ -1,221 +0,0 @@
-LAMMPS (29 Jun 2018)
-# 2d rounded polygon bodies
-
-variable    r     index 4
-variable    steps index 100000
-variable    T     index 0.5
-variable    P     index 0.1
-variable    seed  index 980411
-
-units       lj
-dimension   2
-
-atom_style  body rounded/polygon 1 6
-atom_modify map array
-read_data   data.squares
-  orthogonal box = (0 0 -0.5) to (12 12 0.5)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  2 atoms
-  2 bodies
-
-replicate   $r $r 1
-replicate   4 $r 1
-replicate   4 4 1
-  orthogonal box = (0 0 -0.5) to (48 48 0.5)
-  1 by 1 by 1 MPI processor grid
-  32 atoms
-  Time spent = 0.00020504 secs
-
-velocity    all create $T ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 980411 dist gaussian mom yes rot yes
-
-variable cut_inner  equal 0.5
-variable k_n        equal 100
-variable k_na       equal 2
-variable c_n        equal 1
-variable c_t        equal 1
-variable mu         equal 0.1
-variable delta_ua   equal 0.5
-
-pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 0.5 ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 0.5 0.5
-pair_coeff * * ${k_n} ${k_na}
-pair_coeff * * 100 ${k_na}
-pair_coeff * * 100 2
-
-comm_modify vel yes
-
-neighbor     0.5 bin
-neigh_modify every 1 delay 0 check yes
-
-timestep     0.001
-
-#fix         1 all nve/body
-#fix         1 all nvt/body temp $T $T 1.0
-fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 0.1 1.0 couple xy fixedpoint 0 0 0
-
-fix          2 all enforce2d
-
-#compute      1 all body/local id 1 2 3
-#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
-
-thermo_style custom step ke pe etotal press
-thermo       1000
-
-#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
-#dump_modify  2 pad 6
-
-run          ${steps}
-run          100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.15685
-  ghost atom cutoff = 6.15685
-  binsize = 3.07843, bins = 16 16 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair body/rounded/polygon, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.781 | 4.781 | 4.781 Mbytes
-Step KinEng PotEng TotEng Press 
-       0     0.484375         0.25     0.734375 0.0067274306 
-    1000   0.39423376 0.0017918048   0.39602557 0.0021941612 
-    2000   0.42284177   0.01346585   0.43630762 0.0029377883 
-    3000   0.58154405  0.011321689   0.59286574  0.003667871 
-    4000   0.73518304  0.034603175   0.76978621 0.0018689207 
-    5000   0.84367476  0.025292163   0.86896692 0.0089161373 
-    6000   0.70803236 0.0085631016   0.71659546 0.0045552895 
-    7000   0.56206452   0.10453031   0.66659483  0.010255161 
-    8000   0.64538994  0.088817673   0.73420761 0.0037633655 
-    9000   0.90540819  0.063696004   0.96910419 0.0077673359 
-   10000   0.68632042  0.093265016   0.77958544 0.0057864838 
-   11000   0.59118074  0.025654748   0.61683549  0.012518759 
-   12000   0.67522767  0.038176401   0.71340407   0.01741153 
-   13000    0.7644843   0.10429844   0.86878274  0.013161339 
-   14000   0.56152694  0.067836655   0.62936359  0.016852121 
-   15000   0.41895506  0.019513348   0.43846841  0.015225695 
-   16000   0.55799421    0.1564559   0.71445011  0.011703561 
-   17000   0.59391964  0.034450221   0.62836986  0.026215002 
-   18000   0.75911858  0.030885726    0.7900043  0.018396366 
-   19000   0.64417995   0.12110912   0.76528907  0.010247952 
-   20000   0.57751435   0.16965651   0.74717086  0.023392323 
-   21000    0.7613368   0.13405354   0.89539034  0.021498982 
-   22000   0.57676692   0.18011879   0.75688571  0.024469161 
-   23000   0.54043723   0.11842026   0.65885749  0.019799067 
-   24000   0.62276061  0.038967924   0.66172853  0.019080086 
-   25000   0.53157536   0.11651937   0.64809473  0.017019298 
-   26000   0.72213293  0.039012448   0.76114538  0.015434904 
-   27000   0.62157832   0.13697494   0.75855326  0.028711011 
-   28000   0.41323738   0.16301101   0.57624839  0.041792632 
-   29000   0.45774328   0.17569066   0.63343394  0.019975231 
-   30000   0.78901796  0.099791386   0.88880934  0.024116947 
-   31000   0.85205397   0.11977547   0.97182945  0.026667489 
-   32000   0.37137095    0.1232622   0.49463315 0.00087637364 
-   33000   0.26860871   0.26056381   0.52917252  0.036110517 
-   34000    0.3018636   0.21336905   0.51523265  0.040315549 
-   35000   0.39915129   0.28245957   0.68161085  0.034876856 
-   36000   0.25761236    0.2352705   0.49288286  0.022772767 
-   37000    0.1071233   0.31692858   0.42405188  0.017994666 
-   38000  0.083729577   0.28473145   0.36846103 -0.0045370431 
-   39000  0.070355565   0.26682083   0.33717639  0.017921556 
-   40000  0.075894079   0.20077896   0.27667304  0.014873186 
-   41000   0.05891028   0.15989064   0.21880092  0.025547873 
-   42000    0.1225107   0.16583605   0.28834675  0.038842785 
-   43000   0.17049189   0.14323991    0.3137318  0.029550161 
-   44000   0.26823939   0.15208257   0.42032196  0.028113612 
-   45000   0.10172203    0.1729706   0.27469264 -0.013769913 
-   46000   0.14841355   0.19085074   0.33926429 -0.00073741985 
-   47000   0.27654927   0.19097937   0.46752864   0.04021431 
-   48000   0.53432331  0.080769923   0.61509323  0.029932845 
-   49000   0.69111634   0.13064951   0.82176585  0.028985406 
-   50000   0.24520806   0.18317453   0.42838258   0.05179746 
-   51000   0.23541368   0.14281364   0.37822732  0.071884238 
-   52000   0.25464996  0.095730242    0.3503802  0.034488204 
-   53000   0.53677633    0.1058745   0.64265084  0.059932498 
-   54000   0.32970921   0.27979128   0.60950049  0.062869716 
-   55000   0.49094054  0.096735015   0.58767556   0.04728005 
-   56000   0.54398249    0.2216472   0.76562969  0.056712022 
-   57000   0.60869068    0.2338422   0.84253288  0.077143302 
-   58000   0.72175509   0.18687368   0.90862877  0.019357656 
-   59000   0.79442757  0.092502981   0.88693055  0.066882632 
-   60000    0.6810555  0.077699385   0.75875488  0.095975173 
-   61000   0.63178834   0.05071143   0.68249977  0.043586668 
-   62000   0.76589344  0.044615704   0.81050914  0.085718411 
-   63000   0.84815889  0.030527848   0.87868674  0.053072795 
-   64000    0.7309043  0.051938637   0.78284294  0.058887766 
-   65000   0.62498816  0.034474465   0.65946262  0.068446407 
-   66000   0.69817494  0.068546004   0.76672094  0.062634433 
-   67000   0.86444275  0.010184259   0.87462701  0.073635055 
-   68000   0.77820319 0.0079319524   0.78613515  0.090330925 
-   69000   0.56938919 0.0092629332   0.57865213  0.061838729 
-   70000   0.61870712  0.010047381    0.6287545  0.066501338 
-   71000   0.71651803 0.0088366199   0.72535465  0.079136316 
-   72000   0.76278925  0.008828151   0.77161741  0.063672771 
-   73000   0.75447428 0.0083985526   0.76287283  0.078256913 
-   74000   0.66185251 0.0091910052   0.67104351  0.069840511 
-   75000   0.58458829 0.0097671568   0.59435544  0.076123422 
-   76000    0.7487564    0.0100022    0.7587586  0.076171741 
-   77000   0.89505465  0.009250681   0.90430533  0.074921699 
-   78000   0.73738164 0.0092029279   0.74658457  0.078835344 
-   79000   0.65735281  0.010099528   0.66745233  0.077940627 
-   80000   0.70247542  0.010306464   0.71278189  0.079560093 
-   81000   0.74839505  0.010199092   0.75859415  0.080835104 
-   82000   0.75193767  0.010274058   0.76221173  0.081086684 
-   83000   0.71392598  0.010495573   0.72442156  0.082746145 
-   84000   0.58498928  0.011027388   0.59601667   0.08356465 
-   85000   0.59022869  0.011729474   0.60195817  0.084519397 
-   86000   0.81753578  0.011208964   0.82874475  0.085490261 
-   87000   0.83480682  0.010542579    0.8453494  0.086268527 
-   88000   0.67322538  0.011170734   0.68439611   0.08751623 
-   89000   0.62637389  0.012033316    0.6384072  0.088548094 
-   90000   0.92828557  0.011750388   0.94003596  0.089199823 
-   91000   0.96072564  0.010324509   0.97105015  0.090204803 
-   92000   0.72105071  0.011484152   0.73253486   0.09140819 
-   93000   0.65762527  0.012558219   0.67018349  0.092453474 
-   94000   0.73991591   0.01261909     0.752535  0.093373477 
-   95000   0.91791653  0.011980455   0.92989699  0.094182136 
-   96000   0.76562561  0.011807085    0.7774327  0.095323684 
-   97000   0.57292104  0.013610205   0.58653124  0.096505977 
-   98000   0.68141076  0.013863204   0.69527396  0.097380069 
-   99000   0.82390969  0.013002341   0.83691203  0.098235926 
-  100000   0.77639728  0.012989342   0.78938662  0.099274147 
-Loop time of 3.88899 on 1 procs for 100000 steps with 32 atoms
-
-Performance: 2221655.884 tau/day, 25713.610 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.056      | 3.056      | 3.056      |   0.0 | 78.58
-Neigh   | 0.0051048  | 0.0051048  | 0.0051048  |   0.0 |  0.13
-Comm    | 0.091444   | 0.091444   | 0.091444   |   0.0 |  2.35
-Output  | 0.0011995  | 0.0011995  | 0.0011995  |   0.0 |  0.03
-Modify  | 0.69909    | 0.69909    | 0.69909    |   0.0 | 17.98
-Other   |            | 0.03616    |            |       |  0.93
-
-Nlocal:    32 ave 32 max 32 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    21 ave 21 max 21 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    57 ave 57 max 57 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 57
-Ave neighs/atom = 1.78125
-Neighbor list builds = 1445
-Dangerous builds = 0
-Total wall time: 0:00:03
diff --git a/examples/body/log.9Jul18.body.squares.g++.4 b/examples/body/log.9Jul18.body.squares.g++.4
deleted file mode 100644
index 56d7734b7b..0000000000
--- a/examples/body/log.9Jul18.body.squares.g++.4
+++ /dev/null
@@ -1,221 +0,0 @@
-LAMMPS (29 Jun 2018)
-# 2d rounded polygon bodies
-
-variable    r     index 4
-variable    steps index 100000
-variable    T     index 0.5
-variable    P     index 0.1
-variable    seed  index 980411
-
-units       lj
-dimension   2
-
-atom_style  body rounded/polygon 1 6
-atom_modify map array
-read_data   data.squares
-  orthogonal box = (0 0 -0.5) to (12 12 0.5)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  2 atoms
-  2 bodies
-
-replicate   $r $r 1
-replicate   4 $r 1
-replicate   4 4 1
-  orthogonal box = (0 0 -0.5) to (48 48 0.5)
-  2 by 2 by 1 MPI processor grid
-  32 atoms
-  Time spent = 0.000324011 secs
-
-velocity    all create $T ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 980411 dist gaussian mom yes rot yes
-
-variable cut_inner  equal 0.5
-variable k_n        equal 100
-variable k_na       equal 2
-variable c_n        equal 1
-variable c_t        equal 1
-variable mu         equal 0.1
-variable delta_ua   equal 0.5
-
-pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 0.5 ${cut_inner}
-pair_style body/rounded/polygon 1 1 0.1 0.5 0.5
-pair_coeff * * ${k_n} ${k_na}
-pair_coeff * * 100 ${k_na}
-pair_coeff * * 100 2
-
-comm_modify vel yes
-
-neighbor     0.5 bin
-neigh_modify every 1 delay 0 check yes
-
-timestep     0.001
-
-#fix         1 all nve/body
-#fix         1 all nvt/body temp $T $T 1.0
-fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 $P 1.0 couple xy fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0              y 0.001 0.1 1.0 couple xy fixedpoint 0 0 0
-
-fix          2 all enforce2d
-
-#compute      1 all body/local id 1 2 3
-#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
-
-thermo_style custom step ke pe etotal press
-thermo       1000
-
-#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
-#dump_modify  2 pad 6
-
-run          ${steps}
-run          100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.15685
-  ghost atom cutoff = 6.15685
-  binsize = 3.07843, bins = 16 16 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair body/rounded/polygon, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.774 | 4.774 | 4.774 Mbytes
-Step KinEng PotEng TotEng Press 
-       0     0.484375         0.25     0.734375 0.0067274306 
-    1000   0.39423376 0.0017918048   0.39602557 0.0021941612 
-    2000   0.42284177   0.01346585   0.43630762 0.0029377883 
-    3000   0.58154405  0.011321689   0.59286574  0.003667871 
-    4000   0.73518304  0.034603175   0.76978621 0.0018689207 
-    5000   0.84367476  0.025292163   0.86896692 0.0089161373 
-    6000   0.70803236 0.0085631016   0.71659546 0.0045552895 
-    7000   0.56206452   0.10453031   0.66659483  0.010255161 
-    8000   0.64538994  0.088817673   0.73420761 0.0037633655 
-    9000   0.90540819  0.063696004   0.96910419 0.0077673359 
-   10000   0.68632042  0.093265016   0.77958544 0.0057864837 
-   11000   0.59118074  0.025654748   0.61683549  0.012518759 
-   12000   0.67522767  0.038176401   0.71340407   0.01741153 
-   13000    0.7644843   0.10429844   0.86878274  0.013161339 
-   14000   0.56152694  0.067836656    0.6293636  0.016852113 
-   15000   0.41895505  0.019513353   0.43846841  0.015225696 
-   16000   0.55799443   0.15645637    0.7144508  0.011703646 
-   17000   0.59385248   0.03451986   0.62837234  0.025482966 
-   18000   0.75902169  0.031103586   0.79012527  0.018263354 
-   19000   0.64266826   0.12535314   0.76802141  0.014884119 
-   20000   0.57836261   0.16581188   0.74417449  0.024667165 
-   21000   0.78281936   0.11877527   0.90159464 -0.0090089213 
-   22000    0.5312006   0.13300874   0.66420934  0.025797278 
-   23000   0.56458861  0.084369128   0.64895774  0.024630917 
-   24000   0.65126875   0.06122992   0.71249867  0.034377198 
-   25000   0.55173441   0.15694886   0.70868327  0.021634086 
-   26000   0.59121615   0.17071182   0.76192797  0.024758366 
-   27000    0.6394843   0.17442949   0.81391378  0.034919937 
-   28000   0.31144221   0.41243036   0.72387256  0.074115225 
-   29000   0.13516917    0.3075419   0.44271107  0.023861298 
-   30000   0.14094934   0.24407203   0.38502137  0.037030438 
-   31000   0.26313749  0.087395422   0.35053291  0.042347005 
-   32000   0.51602457  0.063012079   0.57903664  0.018550299 
-   33000   0.55628829     0.200213   0.75650129  0.026507686 
-   34000   0.97399408  0.082504517    1.0564986  0.037889878 
-   35000   0.64710533   0.17662002   0.82372535  0.058295508 
-   36000   0.45769083   0.08241194   0.54010277  0.014957415 
-   37000   0.72850105  0.053874061   0.78237512  0.037194593 
-   38000   0.44177995   0.28939498   0.73117493  0.045194029 
-   39000   0.46828451  0.077630686   0.54591519  0.089849009 
-   40000   0.46786451  0.092828423   0.56069294  0.028042052 
-   41000   0.71861856  0.097085715   0.81570427  0.036473296 
-   42000   0.74121021   0.10553127   0.84674148  0.054058843 
-   43000   0.62945489   0.12770673   0.75716161  0.047267994 
-   44000   0.49900638  0.085150056   0.58415644  0.054798793 
-   45000   0.70199572  0.063415877    0.7654116  0.038363546 
-   46000   0.49513142   0.10649384   0.60162526  0.059392561 
-   47000    0.3858898  0.079458749   0.46534855  0.051825764 
-   48000   0.62585854  0.028585902   0.65444444  0.054074424 
-   49000   0.65934482   0.51865062    1.1779954 -0.035272836 
-   50000    0.5420438  0.082056756   0.62410056  0.031187494 
-   51000   0.36685223   0.14224019   0.50909241  0.073790397 
-   52000   0.19044627   0.15368389   0.34413016  0.059034266 
-   53000   0.26847678  0.075693324    0.3441701  0.032276915 
-   54000    0.3593711   0.19034549   0.54971659  0.070827883 
-   55000   0.21659198    0.1929074   0.40949939  0.035916364 
-   56000   0.28242715   0.12313241   0.40555956  0.062083926 
-   57000   0.34067475   0.14711992   0.48779467  0.059321458 
-   58000    0.4842796   0.16143425   0.64571385  0.059048247 
-   59000   0.84438871  0.076546849   0.92093556  0.048046901 
-   60000   0.92794849  0.054331626   0.98228012  0.058392272 
-   61000    0.6916736  0.076168342   0.76784194  0.058654987 
-   62000   0.63317965  0.094506389   0.72768604  0.061044719 
-   63000   0.63317266  0.038785593   0.67195825  0.097236147 
-   64000   0.81696668     0.121811   0.93877769  0.064935373 
-   65000   0.82644758   0.25188344     1.078331  0.093352359 
-   66000   0.64975019   0.17930857   0.82905876  0.058805254 
-   67000   0.63487678   0.16877059   0.80364737  0.070254696 
-   68000   0.79140717   0.11631004    0.9077172  0.064646394 
-   69000   0.85687272  0.057835331   0.91470805  0.071057291 
-   70000   0.67785976  0.040686768   0.71854653  0.074687222 
-   71000   0.60594577  0.032193155   0.63813893  0.069349268 
-   72000   0.77586745  0.024068533   0.79993598  0.083394193 
-   73000   0.88877625  0.025746326   0.91452258  0.081511105 
-   74000   0.73507888  0.036574786   0.77165367  0.075360233 
-   75000   0.68787782  0.042098622   0.72997644  0.068651098 
-   76000   0.72515745   0.04360868   0.76876613  0.069594624 
-   77000   0.77580944  0.041826702   0.81763614  0.071937144 
-   78000   0.76640394  0.039285046   0.80568899  0.074274921 
-   79000   0.62504309  0.039593585   0.66463667  0.076443295 
-   80000   0.60001642  0.043468215   0.64348464  0.094547719 
-   81000   0.82175037  0.045608873   0.86735924  0.080186295 
-   82000   0.85783276  0.042692576   0.90052534  0.081576548 
-   83000   0.71367707  0.042172193   0.75584926   0.08256625 
-   84000   0.68532406  0.044724759   0.73004882  0.083672013 
-   85000   0.72576789  0.046982462   0.77275035  0.084789331 
-   86000   0.75597701   0.04765086   0.80362787  0.085758056 
-   87000   0.74190598  0.047629096   0.78953507  0.086679976 
-   88000   0.60967704  0.049906172   0.65958321  0.085526191 
-   89000   0.54490288  0.054768238   0.59967112  0.090604027 
-   90000   0.75398341  0.057153453   0.81113686  0.091900858 
-   91000   0.84577472  0.052753512   0.89852823  0.091913909 
-   92000    0.7176235  0.050677427   0.76830093  0.092032507 
-   93000   0.61699446  0.054097013   0.67109147  0.092071275 
-   94000   0.76330752  0.057398618   0.82070614  0.092435043 
-   95000   0.98754458  0.053801311    1.0413459  0.093526707 
-   96000    0.7405897  0.052135628   0.79272533  0.095011929 
-   97000   0.65587599  0.057011962   0.71288795  0.096692123 
-   98000   0.72345634  0.060700171   0.78415651  0.097510345 
-   99000   0.88283624  0.061795247   0.94463149   0.09799633 
-  100000   0.86303812  0.058912988   0.92195111   0.09892993 
-Loop time of 2.80074 on 4 procs for 100000 steps with 32 atoms
-
-Performance: 3084895.573 tau/day, 35704.810 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.81169    | 0.89466    | 0.97669    |   8.4 | 31.94
-Neigh   | 0.0017524  | 0.0018129  | 0.0018773  |   0.1 |  0.06
-Comm    | 0.91307    | 0.99193    | 1.0691     |   7.3 | 35.42
-Output  | 0.00076914 | 0.00093722 | 0.0013936  |   0.0 |  0.03
-Modify  | 0.75335    | 0.75779    | 0.76346    |   0.4 | 27.06
-Other   |            | 0.1536     |            |       |  5.48
-
-Nlocal:    8 ave 10 max 4 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-Nghost:    17.25 ave 19 max 15 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    13.5 ave 21 max 5 min
-Histogram: 1 0 0 0 1 0 1 0 0 1
-
-Total # of neighbors = 54
-Ave neighs/atom = 1.6875
-Neighbor list builds = 1443
-Dangerous builds = 0
-Total wall time: 0:00:02
diff --git a/examples/body/log.9Jul18.body.wall2d.g++.1 b/examples/body/log.9Jul18.body.wall2d.g++.1
deleted file mode 100644
index f22c366380..0000000000
--- a/examples/body/log.9Jul18.body.wall2d.g++.1
+++ /dev/null
@@ -1,223 +0,0 @@
-LAMMPS (29 Jun 2018)
-# 2d rounded polygon bodies
-
-variable    r     index 4
-variable    steps index 100000
-variable    T     index 0.5
-variable    P     index 0.1
-variable    seed  index 980411
-
-units       lj
-dimension   2
-
-atom_style  body rounded/polygon 1 6
-atom_modify map array
-read_data   data.squares
-  orthogonal box = (0 0 -0.5) to (12 12 0.5)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  2 atoms
-  2 bodies
-
-replicate   $r $r 1
-replicate   4 $r 1
-replicate   4 4 1
-  orthogonal box = (0 0 -0.5) to (48 48 0.5)
-  1 by 1 by 1 MPI processor grid
-  32 atoms
-  Time spent = 0.00029707 secs
-
-velocity    all create $T ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 980411 dist gaussian mom yes rot yes
-
-change_box  all boundary p f p
-
-variable cut_inner  equal 0.5
-variable k_n        equal 100
-variable k_na       equal 2
-variable c_n        equal 0.1
-variable c_t        equal 0.1
-variable mu         equal 0.1
-variable delta_ua   equal 0.5
-
-pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 0.5
-pair_coeff * * ${k_n} ${k_na}
-pair_coeff * * 100 ${k_na}
-pair_coeff * * 100 2
-
-comm_modify vel yes
-
-neighbor     0.5 bin
-neigh_modify every 1 delay 0 check yes
-
-timestep     0.001
-
-#fix         1 all nve/body
-#fix         1 all nvt/body temp $T $T 1.0
-fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0 fixedpoint 0 0 0
-
-fix          2 all enforce2d
-fix          3 all wall/body/polygon 2000 50 50 yplane 0.0 48.0
-
-#compute      1 all body/local id 1 2 3
-#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
-
-thermo_style custom step ke pe etotal press
-thermo       1000
-
-#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
-#dump_modify  2 pad 6
-
-run          ${steps}
-run          100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.15685
-  ghost atom cutoff = 6.15685
-  binsize = 3.07843, bins = 16 16 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair body/rounded/polygon, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.771 | 4.771 | 4.771 Mbytes
-Step KinEng PotEng TotEng Press 
-       0     0.484375         0.25     0.734375 0.0067274306 
-    1000   0.49241101 0.0031318767   0.49554289  0.017768281 
-    2000   0.56118632 0.0026068888   0.56379321  0.003410416 
-    3000   0.75565115  0.025578366   0.78122951 0.0071862988 
-    4000   0.72298647  0.093150646   0.81613712  0.003190158 
-    5000   0.51684166  0.049164868   0.56600653 0.0096960168 
-    6000   0.56627905  0.048132853    0.6144119  0.020733586 
-    7000   0.58122129  0.018223718   0.59944501 0.0038160759 
-    8000   0.64297977  0.025934821   0.66891459 0.0041091784 
-    9000   0.41748404 0.0077890042   0.42527305 0.0039270065 
-   10000   0.35738377  0.078487805   0.43587158 3.9079782e-05 
-   11000   0.41529308   0.13619284   0.55148592 -0.0067482285 
-   12000   0.43274718  0.071315497   0.50406268  0.007006378 
-   13000    0.4748331  0.069904647   0.54473775 0.0010384372 
-   14000    0.6287791   0.12721033   0.75598943 0.0047792448 
-   15000    0.4692413   0.12344005   0.59268136  0.018033616 
-   16000   0.43157074   0.14306789   0.57463862  0.042356676 
-   17000   0.53085999   0.22126296   0.75212294  0.027509646 
-   18000   0.52688968   0.13225282    0.6591425 0.0021558013 
-   19000   0.55032328   0.12513047   0.67545375  0.025036251 
-   20000   0.48465097    0.1431055   0.62775647  0.017193781 
-   21000   0.53166734   0.21928574   0.75095307  0.011564317 
-   22000   0.62177353   0.09296159   0.71473512  0.017660922 
-   23000    0.6972939   0.12434123   0.82163514  0.024432327 
-   24000   0.42767372   0.22152311   0.64919684 -0.013712449 
-   25000    0.4816037   0.19272865   0.67433236  0.052386055 
-   26000   0.72642579   0.19697046   0.92339625  0.020407694 
-   27000   0.39649144   0.15058326    0.5470747  0.023705766 
-   28000   0.44896324   0.18500106    0.6339643 -0.0089410286 
-   29000    0.5565759   0.11085772   0.66743362  0.048437166 
-   30000   0.58173584   0.21773281   0.79946865 0.0057357773 
-   31000   0.49199415   0.23601982   0.72801397  0.046744152 
-   32000   0.55665496   0.20542161   0.76207658 -0.0038756805 
-   33000   0.62730739   0.24460524   0.87191263  0.045330682 
-   34000   0.58107044   0.16395278   0.74502322 -0.0049496051 
-   35000   0.56838849   0.21842922   0.78681771 0.0062086036 
-   36000   0.45910273   0.28464172   0.74374445 -0.011700747 
-   37000   0.37092037   0.27646862     0.647389  0.022305679 
-   38000    0.7278047   0.30674438    1.0345491   0.07698342 
-   39000    0.5132923   0.27395066   0.78724295  0.026898634 
-   40000   0.62348649   0.24424644   0.86773293  0.039403899 
-   41000    0.3658401   0.15512326   0.52096337  0.022559003 
-   42000    0.4912253   0.35712978   0.84835508 -0.010336341 
-   43000   0.70225957   0.36314638    1.0654059  0.004148866 
-   44000   0.56958157   0.25488927   0.82447084  0.067537066 
-   45000   0.45854352   0.30149439   0.76003791 -0.017002401 
-   46000   0.62787247   0.34567995   0.97355242   0.11894801 
-   47000   0.61348914   0.29378625   0.90727539  0.067873976 
-   48000   0.71301829   0.34135284    1.0543711  0.021077736 
-   49000   0.53520804   0.30593196   0.84113999 0.0059257647 
-   50000   0.44966403   0.35370793   0.80337195 0.0020395669 
-   51000    0.5236113   0.32296924   0.84658054 -0.051011506 
-   52000   0.53905573     0.351771   0.89082672  0.013720106 
-   53000   0.55978158   0.41293947   0.97272106  0.068558589 
-   54000   0.52170459    0.2718066    0.7935112 0.0093138985 
-   55000   0.61078876   0.43353897    1.0443277  0.045377392 
-   56000   0.51300655   0.33182278   0.84482933 -0.018418487 
-   57000   0.54882822   0.38380093   0.93262915   0.10249946 
-   58000   0.72106212   0.45361279    1.1746749  0.030313481 
-   59000   0.55871447   0.63823029    1.1969448  0.019079703 
-   60000   0.49395192   0.58283102    1.0767829    0.0179349 
-   61000   0.45991079   0.62540573    1.0853165  0.074398804 
-   62000    0.4655788   0.60862262    1.0742014   0.11472976 
-   63000   0.55634524   0.63069255    1.1870378 -0.0025676135 
-   64000   0.57688903   0.45435264    1.0312417 0.0083813852 
-   65000   0.57168922   0.42217005   0.99385927  0.044931269 
-   66000    0.6206044   0.46727538    1.0878798  0.019686229 
-   67000   0.61037155   0.41840109    1.0287726    0.0195109 
-   68000   0.63848598   0.41305347    1.0515395  0.072940144 
-   69000   0.49244916    0.3834095   0.87585866   0.07963677 
-   70000   0.41847062   0.51907975   0.93755037   0.18447904 
-   71000   0.45198986   0.52973709   0.98172695  0.078419371 
-   72000   0.47064262   0.37808165   0.84872427 -0.00046308054 
-   73000    0.6690143   0.37549359    1.0445079  0.061208432 
-   74000   0.60444955   0.33779636   0.94224592 -0.068840321 
-   75000   0.61762382    0.3916421    1.0092659   0.16253292 
-   76000   0.63657961   0.50277989    1.1393595  0.013857508 
-   77000   0.52524028   0.43597896   0.96121924  -0.03296482 
-   78000   0.43803533   0.33172284   0.76975817  0.078763029 
-   79000   0.67156089   0.55272177    1.2242827  0.080822223 
-   80000   0.68678238   0.46061627    1.1473987 0.0027036992 
-   81000   0.64956678   0.44959229    1.0991591   0.11201483 
-   82000   0.51060477   0.43508342    0.9456882  0.028000608 
-   83000   0.59550548   0.69026083    1.2857663 -0.0015809004 
-   84000   0.64222145   0.38768816    1.0299096  0.014153173 
-   85000    0.7661229   0.43445261    1.2005755  0.048034534 
-   86000   0.60025257   0.53027929    1.1305319 0.0056865157 
-   87000   0.46220939   0.47470035   0.93690974  0.075311946 
-   88000   0.54123847   0.62899839    1.1702369   0.13260162 
-   89000   0.61212272    0.6114241    1.2235468  0.033284822 
-   90000   0.63924773    0.6916249    1.3308726  0.045088296 
-   91000   0.49316865   0.51037033     1.003539  0.023203598 
-   92000   0.57572123   0.43496319    1.0106844     0.297092 
-   93000   0.65187559   0.56815972    1.2200353    0.1538215 
-   94000   0.64107331   0.58948521    1.2305585  0.031117778 
-   95000   0.64584158    0.6364688    1.2823104  0.096154676 
-   96000   0.60509093     0.601487    1.2065779   0.03457172 
-   97000   0.68837218   0.77974186     1.468114   0.17801164 
-   98000   0.62725266   0.64137144    1.2686241   0.17449001 
-   99000   0.46861221   0.67000291    1.1386151    0.2429588 
-  100000    0.5879119    0.7140612    1.3019731  0.064634257 
-Loop time of 2.50594 on 1 procs for 100000 steps with 32 atoms
-
-Performance: 3447804.126 tau/day, 39905.140 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.5639     | 1.5639     | 1.5639     |   0.0 | 62.41
-Neigh   | 0.0086911  | 0.0086911  | 0.0086911  |   0.0 |  0.35
-Comm    | 0.058926   | 0.058926   | 0.058926   |   0.0 |  2.35
-Output  | 0.0012379  | 0.0012379  | 0.0012379  |   0.0 |  0.05
-Modify  | 0.83537    | 0.83537    | 0.83537    |   0.0 | 33.34
-Other   |            | 0.03781    |            |       |  1.51
-
-Nlocal:    32 ave 32 max 32 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    20 ave 20 max 20 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    57 ave 57 max 57 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 57
-Ave neighs/atom = 1.78125
-Neighbor list builds = 2705
-Dangerous builds = 0
-Total wall time: 0:00:02
diff --git a/examples/body/log.9Jul18.body.wall2d.g++.4 b/examples/body/log.9Jul18.body.wall2d.g++.4
deleted file mode 100644
index 7239fd4dcd..0000000000
--- a/examples/body/log.9Jul18.body.wall2d.g++.4
+++ /dev/null
@@ -1,223 +0,0 @@
-LAMMPS (29 Jun 2018)
-# 2d rounded polygon bodies
-
-variable    r     index 4
-variable    steps index 100000
-variable    T     index 0.5
-variable    P     index 0.1
-variable    seed  index 980411
-
-units       lj
-dimension   2
-
-atom_style  body rounded/polygon 1 6
-atom_modify map array
-read_data   data.squares
-  orthogonal box = (0 0 -0.5) to (12 12 0.5)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  2 atoms
-  2 bodies
-
-replicate   $r $r 1
-replicate   4 $r 1
-replicate   4 4 1
-  orthogonal box = (0 0 -0.5) to (48 48 0.5)
-  2 by 2 by 1 MPI processor grid
-  32 atoms
-  Time spent = 0.000386 secs
-
-velocity    all create $T ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 ${seed} dist gaussian mom yes rot yes
-velocity    all create 0.5 980411 dist gaussian mom yes rot yes
-
-change_box  all boundary p f p
-
-variable cut_inner  equal 0.5
-variable k_n        equal 100
-variable k_na       equal 2
-variable c_n        equal 0.1
-variable c_t        equal 0.1
-variable mu         equal 0.1
-variable delta_ua   equal 0.5
-
-pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 ${c_t} ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 ${mu} ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 ${delta_ua} ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 ${cut_inner}
-pair_style body/rounded/polygon 0.1 0.1 0.1 0.5 0.5
-pair_coeff * * ${k_n} ${k_na}
-pair_coeff * * 100 ${k_na}
-pair_coeff * * 100 2
-
-comm_modify vel yes
-
-neighbor     0.5 bin
-neigh_modify every 1 delay 0 check yes
-
-timestep     0.001
-
-#fix         1 all nve/body
-#fix         1 all nvt/body temp $T $T 1.0
-fix          1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 $T 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 $P 1.0 fixedpoint 0 0 0
-fix          1 all npt/body temp 0.5 0.5 1.0 x 0.001 0.1 1.0 fixedpoint 0 0 0
-
-fix          2 all enforce2d
-fix          3 all wall/body/polygon 2000 50 50 yplane 0.0 48.0
-
-#compute      1 all body/local id 1 2 3
-#dump         1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
-
-thermo_style custom step ke pe etotal press
-thermo       1000
-
-#dump	     2 all image 10000 image.*.jpg type type zoom 2.0 #             adiam 1.5 body type 0 0
-#dump_modify  2 pad 6
-
-run          ${steps}
-run          100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 6.15685
-  ghost atom cutoff = 6.15685
-  binsize = 3.07843, bins = 16 16 1
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair body/rounded/polygon, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/2d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.773 | 4.773 | 4.773 Mbytes
-Step KinEng PotEng TotEng Press 
-       0     0.484375         0.25     0.734375 0.0067274306 
-    1000   0.49241101 0.0031318767   0.49554289  0.017768281 
-    2000   0.56118632 0.0026068888   0.56379321  0.003410416 
-    3000   0.75565115  0.025578366   0.78122951 0.0071862988 
-    4000   0.72298647  0.093150646   0.81613712  0.003190158 
-    5000   0.51684166  0.049164868   0.56600653 0.0096960168 
-    6000   0.56627905  0.048132853    0.6144119  0.020733586 
-    7000   0.58122129  0.018223718   0.59944501 0.0038160759 
-    8000   0.64297977  0.025934821   0.66891459 0.0041091784 
-    9000   0.41748404 0.0077890042   0.42527305 0.0039270065 
-   10000   0.35738377  0.078487805   0.43587158 3.9079865e-05 
-   11000   0.41529307   0.13619284   0.55148591 -0.0067482285 
-   12000   0.43274718  0.071315527   0.50406271  0.007006369 
-   13000    0.4748324  0.069905666   0.54473807 0.0010385254 
-   14000   0.62603727  0.098905625    0.7249429 0.0048876764 
-   15000   0.44512086   0.10415235   0.54927321   0.01902062 
-   16000   0.47460177   0.18053316   0.65513493  0.045013976 
-   17000   0.52742676   0.10110706   0.62853382  0.013615471 
-   18000   0.46111734  0.096118795   0.55723613 0.0073676834 
-   19000   0.59668439   0.13652292   0.73320731  0.029403553 
-   20000   0.46840192   0.11611719   0.58451911 -0.00034412499 
-   21000   0.53550533  0.096457461    0.6319628 0.0019785732 
-   22000   0.46599715   0.13206373   0.59806087  0.031970672 
-   23000   0.49280776   0.20404726   0.69685501   0.03657433 
-   24000   0.60901688   0.18255214   0.79156902  0.044955017 
-   25000   0.47345185   0.13671357   0.61016542  0.020313539 
-   26000   0.47653832   0.12448225   0.60102057   0.01878099 
-   27000   0.50008212   0.24740634   0.74748845  0.021862639 
-   28000   0.41627204    0.2519463   0.66821834  0.054683701 
-   29000   0.55608273   0.23100212   0.78708485 -0.0043318497 
-   30000   0.53884537    0.3001584   0.83900377 -0.012838186 
-   31000   0.53036238    0.2300328   0.76039518 -0.0061688449 
-   32000   0.42666792   0.20536256   0.63203048  0.045305282 
-   33000   0.62908185    0.1652033   0.79428515 0.0072777588 
-   34000   0.47028154     0.388736   0.85901754   0.04332288 
-   35000   0.54602322    0.2775624   0.82358562   0.02898206 
-   36000   0.59860544   0.21824655   0.81685199 0.0025936194 
-   37000   0.62467827   0.11983499   0.74451326  0.050052743 
-   38000   0.72594229   0.36584781    1.0917901   0.04280621 
-   39000   0.51129656   0.23859043   0.74988699  0.050817447 
-   40000   0.53263836   0.24212889   0.77476725  0.036245922 
-   41000   0.50288088   0.36668283   0.86956371  0.018381415 
-   42000   0.46653688   0.21974887   0.68628574  0.012661062 
-   43000   0.61738785   0.32131037   0.93869821  0.012709433 
-   44000   0.56603903   0.26515554   0.83119457   0.03315102 
-   45000   0.56231638   0.32111693   0.88343331   0.06079756 
-   46000    0.7096208    0.2570131   0.96663391  0.048770468 
-   47000     0.588755    0.1880748    0.7768298  0.035962604 
-   48000   0.56296339   0.25783519   0.82079858  0.053019928 
-   49000     0.419885   0.42328618   0.84317118  0.038105269 
-   50000   0.63073351   0.41426285    1.0449964 0.0015271048 
-   51000   0.59357935     0.184222   0.77780136  0.015996218 
-   52000   0.60608471   0.36247533   0.96856003   0.10984665 
-   53000    0.5227842   0.27686739   0.79965159   0.02761699 
-   54000   0.39435923   0.34197355   0.73633278  0.061183263 
-   55000   0.46748455   0.34230903   0.80979358  0.077441382 
-   56000   0.59819827   0.29212061   0.89031889  0.043772353 
-   57000   0.61682559   0.32788566   0.94471124   0.03992069 
-   58000   0.52702478   0.24891506   0.77593984  0.058480883 
-   59000   0.66925719    0.4109031    1.0801603  0.072434423 
-   60000   0.66807714   0.39233068    1.0604078  0.082370324 
-   61000    0.5724275   0.43308567    1.0055132 0.0072945426 
-   62000   0.49433556   0.38453743   0.87887299 0.0036097443 
-   63000   0.57575143   0.54067119    1.1164226  0.073339638 
-   64000   0.68045383   0.38246533    1.0629192  0.025314593 
-   65000   0.59843527   0.42928622    1.0277215 -0.030096445 
-   66000   0.60274797   0.50186417    1.1046121  0.069797184 
-   67000   0.47450407   0.52689807    1.0014021  0.008758012 
-   68000    0.5514135   0.64113187    1.1925454  0.093863314 
-   69000   0.52008074   0.45749565   0.97757639 -0.066061381 
-   70000   0.69042662   0.50416006    1.1945867  0.014128617 
-   71000   0.63925854   0.35153425    0.9907928  -0.01134957 
-   72000   0.52088835   0.47626986   0.99715821   0.10198133 
-   73000   0.46333852    0.5515537    1.0148922 0.00060582772 
-   74000   0.53481418   0.50409531    1.0389095   0.00919451 
-   75000   0.67182749   0.50380162    1.1756291  0.043301985 
-   76000   0.70492289    0.4112122    1.1161351   0.14880484 
-   77000   0.59781817   0.50197661    1.0997948 -0.057111711 
-   78000   0.51677429    0.4348232   0.95159749 -0.0074619446 
-   79000   0.50663297   0.55000424    1.0566372 0.0052071216 
-   80000   0.59392006   0.48394003    1.0778601 -0.018990234 
-   81000   0.66323593   0.40358336    1.0668193  -0.02961345 
-   82000   0.61596979   0.49177944    1.1077492    0.1314853 
-   83000   0.63917554   0.61656584    1.2557414   0.11908351 
-   84000   0.49305291   0.46161646   0.95466937  0.033558488 
-   85000   0.52552044   0.54250555     1.068026   0.13015174 
-   86000   0.55140914   0.38924725   0.94065638  0.047412499 
-   87000   0.60952504   0.52603688    1.1355619  0.039230066 
-   88000   0.50119735     0.547539    1.0487364  0.019659933 
-   89000   0.40331401   0.50331134   0.90662535 -0.056906034 
-   90000   0.47067839   0.51306911    0.9837475   0.11918166 
-   91000   0.45564995   0.38693455    0.8425845   0.12040045 
-   92000   0.64163032   0.34232532   0.98395564 0.0057051641 
-   93000   0.70375593   0.53646186    1.2402178   0.16044241 
-   94000   0.53378112   0.51971406    1.0534952   0.11389004 
-   95000   0.47055342   0.50396004   0.97451346  0.079424215 
-   96000   0.59543473   0.40204536   0.99748009  0.096813093 
-   97000   0.64821917   0.50051728    1.1487365  0.054071312 
-   98000   0.55723937    0.4945909    1.0518303  0.047316424 
-   99000   0.56044424   0.50773312    1.0681774    0.0149959 
-  100000   0.68254229   0.32704484    1.0095871 0.0069212661 
-Loop time of 2.20043 on 4 procs for 100000 steps with 32 atoms
-
-Performance: 3926501.701 tau/day, 45445.622 timesteps/s
-100.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.41008    | 0.41366    | 0.41719    |   0.4 | 18.80
-Neigh   | 0.0027823  | 0.0030481  | 0.0034747  |   0.5 |  0.14
-Comm    | 0.74581    | 0.7675     | 0.78684    |   2.0 | 34.88
-Output  | 0.00082111 | 0.0010884  | 0.0016899  |   1.1 |  0.05
-Modify  | 0.83828    | 0.85329    | 0.86656    |   1.4 | 38.78
-Other   |            | 0.1618     |            |       |  7.36
-
-Nlocal:    8 ave 9 max 7 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Nghost:    12.75 ave 14 max 12 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    11 ave 19 max 5 min
-Histogram: 1 0 0 2 0 0 0 0 0 1
-
-Total # of neighbors = 44
-Ave neighs/atom = 1.375
-Neighbor list builds = 2663
-Dangerous builds = 0
-Total wall time: 0:00:02

From d0a83e9e1275c512bdae6b2f61670cb26a7029d1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 14:51:19 -0500
Subject: [PATCH 206/273] update cmap example logfiles

---
 examples/cmap/log.11Apr17.cmap.g++.1 | 205 --------------------------
 examples/cmap/log.11Apr17.cmap.g++.4 | 205 --------------------------
 examples/cmap/log.27Nov18.cmap.g++.1 | 207 +++++++++++++++++++++++++++
 examples/cmap/log.27Nov18.cmap.g++.4 | 207 +++++++++++++++++++++++++++
 4 files changed, 414 insertions(+), 410 deletions(-)
 delete mode 100644 examples/cmap/log.11Apr17.cmap.g++.1
 delete mode 100644 examples/cmap/log.11Apr17.cmap.g++.4
 create mode 100644 examples/cmap/log.27Nov18.cmap.g++.1
 create mode 100644 examples/cmap/log.27Nov18.cmap.g++.4

diff --git a/examples/cmap/log.11Apr17.cmap.g++.1 b/examples/cmap/log.11Apr17.cmap.g++.1
deleted file mode 100644
index 9b4fc29991..0000000000
--- a/examples/cmap/log.11Apr17.cmap.g++.1
+++ /dev/null
@@ -1,205 +0,0 @@
-LAMMPS (31 Mar 2017)
-# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
-
-units           real
-neigh_modify    delay 2 every 1
-#newton          off
-
-boundary        p p p
-
-atom_style      full
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmmfsw
-improper_style  harmonic
-
-pair_style      lj/charmmfsw/coul/charmmfsh 8 12
-pair_modify     mix arithmetic
-
-fix             cmap all cmap charmm22.cmap
-Reading potential file charmm22.cmap with DATE: 2016-09-26
-fix_modify      cmap energy yes
-
-read_data       gagg.data fix cmap crossterm CMAP
-  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  34 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  12 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  33 bonds
-  reading angles ...
-  57 angles
-  reading dihedrals ...
-  75 dihedrals
-  reading impropers ...
-  7 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  13 = max # of 1-4 neighbors
-  16 = max # of special neighbors
-
-special_bonds   charmm
-fix             1 all nve
-
-#fix             1 all nvt temp 300 300 100.0
-#fix             2 all shake 1e-9 500 0 m 1.0
-
-velocity        all create 0.0 12345678 dist uniform
-
-thermo          1000
-thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
-timestep        2.0
-
-run             100000
-Neighbor list info ...
-  update every 1 steps, delay 2 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 12 12 12
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/charmmfsw/coul/charmmfsh, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 14.96 | 14.96 | 14.96 Mbytes
-Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
-       0    16.287573  -0.85933785    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
-    1000    18.816462  -0.84379243   0.78931817    2.7554247    4.4371421   -2.7762038   0.12697656 
-    2000    18.091571    -1.045888   0.72306589    3.0951524    4.6725102   -2.3580092   0.22712496 
-    3000    17.835596   -1.2171641   0.72666403    2.6696491    5.4373798   -2.0737041  0.075101693 
-    4000    16.211232  -0.42713611   0.99472642    3.8961462    5.2009895   -2.5626866   0.17356243 
-    5000     17.72183  -0.57081189   0.90733068    3.4376382    4.5457582   -2.3727543   0.12354518 
-    6000    18.753977   -1.5772499   0.81468321    2.9236782    4.6033216   -2.3380859   0.12835782 
-    7000    18.186024  -0.84205608   0.58996182    3.0329585    4.7221473   -2.5733243   0.10047631 
-    8000    18.214306   -1.1360938   0.72597611    3.7493028    4.7319958   -2.8957969    0.2006046 
-    9000    17.248408  -0.48641993   0.90266229    2.9721743    4.7651056   -2.1473354    0.1302043 
-   10000    17.760655   -1.2968444   0.92384663    3.7007455    4.7378947   -2.2147779   0.06940579 
-   11000    17.633929  -0.57368413   0.84872849    3.4277114     4.285393    -2.236944   0.17204973 
-   12000    18.305835   -1.0675148   0.75879532    2.8853173     4.685027    -2.409087  0.087538866 
-   13000    17.391558   -0.9975291   0.66671947    3.8065638    5.2285578   -2.4198822   0.06253594 
-   14000    17.483387  -0.67727643   0.91966477    3.7317031    4.7770445   -2.6080027   0.11487095 
-   15000    18.131749   -1.1918751    1.0025684    3.1238131     4.789742   -2.2546745   0.13782813 
-   16000    16.972343  -0.43926531   0.60644597    3.7551592    4.8658618   -2.2627659   0.12353145 
-   17000    18.080785   -1.2073565    0.7867072    3.5671106      4.43754   -2.5092904   0.17429146 
-   18000    17.474576  -0.97836065    0.8678524    3.7961537    4.3409032   -1.8922572     0.134048 
-   19000    17.000911   -1.2286864   0.83615834    3.9322908    4.9319492   -2.3281576  0.056689619 
-   20000    17.043286   -0.8506561   0.80966589    3.5087339    4.8603878   -2.3365263  0.096794824 
-   21000    17.314495   -1.1430889   0.95363892    4.2446032    4.2756745   -2.1829483   0.17119518 
-   22000    18.954881    -0.998673   0.58688334      2.71536    4.6634319   -2.6862804   0.20328442 
-   23000    17.160427  -0.97803282   0.86894041    4.0897736    4.3146238   -2.1962289  0.075339092 
-   24000    17.602026   -1.0833323   0.94888776    3.7341878    4.3084335   -2.1640414  0.081493681 
-   25000    17.845584   -1.3432612   0.93497086    3.8911043     4.468032   -2.3475883  0.093204333 
-   26000    17.833261   -1.1020534   0.77931087    3.7628141     4.512381   -2.3134761   0.15568465 
-   27000     17.68607   -1.3222026    1.1985872    3.5817624    4.6360755   -2.3492774   0.08427906 
-   28000    18.326649   -1.2669291   0.74809075    3.2624429    4.4698564   -2.3679076   0.14677293 
-   29000    17.720933   -1.0773886   0.83099482    3.7652834    4.6584594   -2.8255303   0.23092596 
-   30000    18.201999   -1.0168706    1.0637455     3.453095    4.3738593   -2.8063214   0.18658217 
-   31000    17.823502   -1.2685768   0.84805585    3.8600661    4.2195821   -2.1169716   0.12517101 
-   32000    16.883133  -0.62062648   0.84434922    3.5042683    5.1264906   -2.2674699  0.030138165 
-   33000    17.805715    -1.679553    1.2430372     4.314677    4.2523894   -2.3008321   0.18591872 
-   34000    16.723767  -0.54189072    1.1282827    3.8542159    4.3026559   -2.2186336   0.05392425 
-   35000    17.976909  -0.72092075    0.5876319    2.9726396    5.0881439    -2.491692   0.17356291 
-   36000    18.782492    -1.514246   0.63237955    3.2777164    4.6077164    -2.502574  0.082537318 
-   37000    17.247716   -0.6344626   0.79885976     3.452491    4.7618281   -2.3902444   0.11450271 
-   38000    17.996494   -1.6712877    1.0111769    4.1689136      4.46963   -2.4076725   0.11875756 
-   39000    17.586857  -0.74508086   0.95970486    3.7395038    4.6011357   -2.9854953   0.30143284 
-   40000    17.494879  -0.30772446   0.72047991    3.2604877    4.7283734   -2.3812495   0.16399034 
-   41000    15.855772  -0.49642605   0.82496448    4.5139653      4.76884    -2.214141   0.10899661 
-   42000    17.898568   -1.3078863    1.1505144    4.0429873    4.3889581   -2.8696559   0.23336417 
-   43000    19.014372   -1.6325979    1.1553166    3.5660772    4.4047997   -2.9302044   0.13672127 
-   44000    18.250782  -0.97211613   0.72714301    3.2258362    4.7257298   -2.5533613   0.11968073 
-   45000    17.335174   0.24746331    1.0415866    3.3220992    4.5251095   -3.0415216   0.24453084 
-   46000     17.72846   -0.9541418   0.88153841    3.7893452    4.5251883   -2.4003613  0.051809816 
-   47000    18.226762  -0.67057787   0.84352989    3.0609522    4.5449078   -2.4694254  0.073703949 
-   48000    17.838074  -0.88768441    1.3812262    3.5890492    4.5827868   -3.0137515   0.21417113 
-   49000    17.973733  -0.75118705   0.69667886    3.3989025    4.7058886   -2.8243945   0.26665792 
-   50000    17.461583  -0.65040016   0.68943524    2.9374743    5.6971777   -2.4438011    0.1697603 
-   51000     16.79766 -0.010684434   0.89795555     3.959039      4.56763   -2.5101098   0.15048853 
-   52000    17.566543   -0.7262764   0.74354418    3.3423185    4.8426523   -2.4187649   0.16908776 
-   53000    17.964274   -0.9270914     1.065952    3.0397181    4.4682262   -2.2179503   0.07873406 
-   54000    17.941256   -0.5807578   0.76516121    3.7262371    4.6975126    -3.179899   0.24433708 
-   55000    17.079478  -0.48559832   0.95364453    3.0414645    5.2811414   -2.7064882   0.30102814 
-   56000    17.632179  -0.75403299   0.97577942    3.3672363    4.4851336   -2.3683659  0.051117638 
-   57000     16.17128  -0.44699325   0.76341543     4.267716    5.0881056   -2.4122329   0.16671692 
-   58000    16.899276  -0.76481024    1.0400825     3.973493    4.8823309   -2.4270284  0.048716383 
-   59000    18.145412  -0.84968335   0.71698306    3.2024358    4.6115739   -2.2520353   0.19466966 
-   60000    17.578258   -1.0067331   0.72822527    3.5375208    4.9110255   -2.2319607   0.11922362 
-   61000    17.434762   -1.0244393   0.90593099    3.8446915    4.8571191   -2.6228357   0.23259208 
-   62000    17.580489   -1.1135917   0.79577432    3.7043524    4.6058114    -2.351492  0.042904152 
-   63000    18.207335   -1.1512268   0.82684507    3.4114738     4.351069   -2.1878441  0.082922105 
-   64000    18.333083   -1.1182287   0.74058959    3.6905164    4.3226172   -2.7110393   0.14721704 
-   65000    16.271579   -0.7122151    1.0200168    4.6983643    4.3681131    -2.194921   0.12831024 
-   66000    17.316444   -0.5729385   0.85254108    3.5769963    4.5526705   -2.3321328  0.040452643 
-   67000     17.19011   -0.8814312    1.1381258    3.8605789    4.4183813    -2.299607  0.091527355 
-   68000    18.223367    -1.362189   0.74472056     3.259165     4.486512   -2.2181134  0.048952796 
-   69000    17.646348  -0.91647162   0.73990335    3.9313692    5.2663097   -3.3816778   0.27769877 
-   70000    18.173493   -1.3107718   0.96484426     3.219728    4.5045124   -2.3349534  0.082327407 
-   71000      17.0627  -0.58509083   0.85964129    3.8490884     4.437895   -2.1673348   0.24151404 
-   72000    17.809764  -0.35128902   0.65479258    3.3945008    4.6160508   -2.5486166   0.10829531 
-   73000     18.27769   -1.0739758   0.80890957    3.6070901    4.6256762   -2.4576547  0.080025736 
-   74000    18.109437   -1.0691837   0.66679323    3.5923203    4.4825716   -2.5048169   0.21372319 
-   75000    17.914569   -1.3500765    1.2993494     3.362421    4.4160377   -2.1278163   0.19397641 
-   76000    16.563928  -0.16539261    1.0067302    3.5742755    4.8581915   -2.1362429  0.059822408 
-   77000    18.130477  -0.38361279   0.43406954    3.4725995    4.7005855   -2.8836242   0.11958174 
-   78000    16.746204   -1.1732959    0.7455507    3.6296638    5.6344113    -2.459208   0.16099803 
-   79000    18.243999   -1.5850155    1.0108545    3.4727867    4.3367411    -2.316686  0.070480814 
-   80000    16.960715  -0.84100929   0.91604996     3.862215     4.780949   -2.3711596  0.073916605 
-   81000    17.697722   -1.1126605     0.952804    3.7114455    4.4216316   -2.2770085  0.091372066 
-   82000    17.835901   -1.3091474   0.71867629    3.8168122    5.0150205   -2.4730634  0.062592852 
-   83000    19.168418    -1.476938   0.75592316    3.2304519    4.3946471   -2.2991395   0.13083324 
-   84000    17.945778   -1.5223622    1.0859941    3.4334011    5.0286682   -2.7550892    0.2476269 
-   85000    17.950251  -0.85843846   0.86888218    3.3101287    4.5511879   -2.3640013   0.12080834 
-   86000    17.480699  -0.97493649   0.85049761    3.4973085    4.6344922    -2.343121    0.2009677 
-   87000    17.980244    -1.114983   0.88796989    3.4113329    4.3535853   -2.2535412   0.14494917 
-   88000    18.023866    -1.226683   0.62339706    3.7649269    4.5923973   -2.3923523   0.10464375 
-   89000    16.362829    -0.311462    1.0265375    4.0101723    4.4184777   -2.0314129  0.056570704 
-   90000    17.533149  -0.41526788    1.0362029    3.4247412    4.2734431   -2.4776658   0.16960663 
-   91000    17.719099   -1.1956801    1.0069945    3.2380672    4.8982805   -2.2154906   0.12950936 
-   92000    17.762654    -1.170027   0.95814525    3.5217717    4.5405343   -2.5983677   0.15037754 
-   93000    17.393958  -0.45641026    0.6579069    3.6002204    4.5942053   -2.5559641   0.12026544 
-   94000      16.8182  -0.92962066   0.86801362    4.2914398     4.659848   -2.5251987   0.18000415 
-   95000    17.642086   -0.7994896    0.7003756    3.8036697    4.5252487   -2.4166307   0.15686517 
-   96000    18.114292   -1.5102104    1.2635908    3.2764427    5.0659496   -2.2777806  0.054309645 
-   97000    18.575765   -1.6015311   0.69500699    3.1649317    4.9945742   -2.4012125  0.067373724 
-   98000    16.578893  -0.78030229   0.91524222    4.4429655    4.4622392   -2.4052655   0.15355705 
-   99000     17.26063  -0.57832833    0.7098846    3.9000046    4.5576484   -2.5333026   0.25517222 
-  100000    18.377235  -0.89109577   0.68988617    2.8751751    4.4115591   -2.3560731   0.12185212 
-Loop time of 2.96043 on 1 procs for 100000 steps with 34 atoms
-
-Performance: 5836.990 ns/day, 0.004 hours/ns, 33778.875 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.074      | 1.074      | 1.074      |   0.0 | 36.28
-Bond    | 1.6497     | 1.6497     | 1.6497     |   0.0 | 55.72
-Neigh   | 0.007576   | 0.007576   | 0.007576   |   0.0 |  0.26
-Comm    | 0.012847   | 0.012847   | 0.012847   |   0.0 |  0.43
-Output  | 0.0010746  | 0.0010746  | 0.0010746  |   0.0 |  0.04
-Modify  | 0.16485    | 0.16485    | 0.16485    |   0.0 |  5.57
-Other   |            | 0.05037    |            |       |  1.70
-
-Nlocal:    34 ave 34 max 34 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    395 ave 395 max 395 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 395
-Ave neighs/atom = 11.6176
-Ave special neighs/atom = 9.52941
-Neighbor list builds = 253
-Dangerous builds = 0
-Total wall time: 0:00:02
diff --git a/examples/cmap/log.11Apr17.cmap.g++.4 b/examples/cmap/log.11Apr17.cmap.g++.4
deleted file mode 100644
index ec471d5a7e..0000000000
--- a/examples/cmap/log.11Apr17.cmap.g++.4
+++ /dev/null
@@ -1,205 +0,0 @@
-LAMMPS (31 Mar 2017)
-# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
-
-units           real
-neigh_modify    delay 2 every 1
-#newton          off
-
-boundary        p p p
-
-atom_style      full
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmmfsw
-improper_style  harmonic
-
-pair_style      lj/charmmfsw/coul/charmmfsh 8 12
-pair_modify     mix arithmetic
-
-fix             cmap all cmap charmm22.cmap
-Reading potential file charmm22.cmap with DATE: 2016-09-26
-fix_modify      cmap energy yes
-
-read_data       gagg.data fix cmap crossterm CMAP
-  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  34 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  12 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  33 bonds
-  reading angles ...
-  57 angles
-  reading dihedrals ...
-  75 dihedrals
-  reading impropers ...
-  7 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  13 = max # of 1-4 neighbors
-  16 = max # of special neighbors
-
-special_bonds   charmm
-fix             1 all nve
-
-#fix             1 all nvt temp 300 300 100.0
-#fix             2 all shake 1e-9 500 0 m 1.0
-
-velocity        all create 0.0 12345678 dist uniform
-
-thermo          1000
-thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
-timestep        2.0
-
-run             100000
-Neighbor list info ...
-  update every 1 steps, delay 2 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 12 12 12
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/charmmfsw/coul/charmmfsh, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 14.94 | 15.57 | 16.2 Mbytes
-Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
-       0    16.287573  -0.85933785    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
-    1000    18.816462  -0.84379243   0.78931817    2.7554247    4.4371421   -2.7762038   0.12697656 
-    2000    18.091571    -1.045888   0.72306589    3.0951524    4.6725102   -2.3580092   0.22712496 
-    3000    17.835596   -1.2171641   0.72666403    2.6696491    5.4373798   -2.0737041  0.075101693 
-    4000    16.211232  -0.42713611   0.99472642    3.8961462    5.2009895   -2.5626866   0.17356243 
-    5000     17.72183  -0.57081189   0.90733068    3.4376382    4.5457582   -2.3727543   0.12354518 
-    6000    18.753977   -1.5772499   0.81468321    2.9236782    4.6033216   -2.3380859   0.12835782 
-    7000    18.186024  -0.84205609   0.58996181    3.0329584    4.7221473   -2.5733244   0.10047631 
-    8000    18.214306   -1.1360934   0.72597583    3.7493032    4.7319959   -2.8957975   0.20060467 
-    9000    17.248415  -0.48642024   0.90266262    2.9721744    4.7651003   -2.1473349   0.13020438 
-   10000    17.760663   -1.2968458   0.92384687    3.7007432    4.7378917   -2.2147799   0.06940514 
-   11000     17.63395  -0.57366075   0.84871737    3.4276851    4.2853865   -2.2369491   0.17205075 
-   12000    18.305713   -1.0672299   0.75876262    2.8852171    4.6850229   -2.4090072  0.087568888 
-   13000    17.383367  -0.99678627   0.66712651    3.8060954     5.233865   -2.4180629  0.062014239 
-   14000    17.510901  -0.68723297   0.92448551    3.7550867    4.7321218   -2.6059088   0.11504409 
-   15000    18.080165     -1.13316   0.99982253      3.09947    4.8171402   -2.2713372   0.14580371 
-   16000    17.383245   -0.4535296   0.57826268    3.6453593    4.6541138   -2.2434512   0.13285609 
-   17000    17.111153   -0.3414839   0.73667584    3.7485311    4.6262965   -2.6166049   0.12635815 
-   18000    16.862046   -1.3592061    1.2371142    4.4878937    4.2937117   -2.2112584  0.066145125 
-   19000    18.313891    -1.654238   0.90644101    3.3934089     4.550735   -2.1862171  0.081267736 
-   20000    19.083561   -1.3081747   0.56257812    2.7633848    4.6211438   -2.5196707   0.13763071 
-   21000     18.23741    -1.051353   0.64408722    3.1735565    4.6912533   -2.2491947  0.099394904 
-   22000    17.914515  -0.89769621   0.61793801    3.1224992    4.8683543    -2.282475   0.14524537 
-   23000    16.756122  -0.98277883    1.2554905    3.7916115    4.7301443   -2.3094994   0.10226772 
-   24000    16.109857  -0.54593177   0.86934462    4.4293574     4.926985   -2.2652264   0.11414331 
-   25000    18.590559    -1.497327    1.1898361    2.9134403    4.7854107   -2.4437918  0.067416154 
-   26000    18.493391   -1.0533797    0.4889578    3.6563013    4.6171721   -2.3240835   0.11607829 
-   27000    18.646522   -1.1229601   0.67956815    2.7937638    4.8991207   -2.4068997   0.10109147 
-   28000    18.545103   -1.7237438   0.72488022    3.8041665    4.6459974   -2.4339333   0.21943258 
-   29000    17.840505   -1.0909667   0.88133248    3.3698456    5.0311644   -2.5116617   0.08102693 
-   30000    17.649527  -0.65409177   0.86781692      3.24112    4.9903073   -2.6234925   0.14799777 
-   31000    18.156812  -0.77476556   0.83192789    2.9620784    4.9160635   -2.8571635   0.22283201 
-   32000    18.251583   -1.3384075    0.8059007    3.2588176    4.4365328   -2.1875071  0.087883637 
-   33000    17.702785  -0.88311587   0.98573641    3.4645713    4.2650091   -2.0909158   0.14233004 
-   34000    17.123413   -1.4873429    1.0419563    4.2628178    4.6318762   -2.2292095     0.105354 
-   35000    18.162061   -1.0136007   0.82436129    3.6365024    4.5801677   -2.6856989   0.28648222 
-   36000     17.65618    -1.094718    0.8872444    3.5075241    4.6382423   -2.3895134   0.18116961 
-   37000    17.336475   -1.0657995   0.98869254    3.9252927    4.4383632   -2.2048244   0.22285949 
-   38000    17.369467  -0.97623132    0.6712095    4.1349304     4.597754   -2.4088341   0.14608514 
-   39000    18.170206   -1.2344285   0.77546195    3.6451049    4.7482287   -2.9895286   0.25768859 
-   40000    16.210866  -0.81407781   0.99246271    4.2676233    5.0253763   -2.2929865   0.13348624 
-   41000    17.641798   -1.0868157   0.80119513    3.4302526     5.280872   -2.4025406   0.22747391 
-   42000    18.349848    -1.613759    1.1497004    3.7800682    4.3237683   -2.8676401    0.2120425 
-   43000    19.130245    -1.196778   0.71845659    2.9325758    4.3684415    -2.433424   0.12240982 
-   44000    18.061321   -1.2410101    1.0329373    3.0751569    4.7138313   -2.2880904  0.075814461 
-   45000    18.162713   -1.4414622     1.009159    4.2298758     4.589593   -2.8502298   0.21606844 
-   46000    18.591574  -0.99730412    1.0955215    3.3965004     4.359466   -3.1049731   0.17322629 
-   47000    18.380259   -1.2717381   0.72291269    3.3958016    4.6099628   -2.4605065   0.19825185 
-   48000    18.130478   -1.5051279    1.2087492    3.2488529    4.6690881   -2.2518174   0.05633061 
-   49000    16.419912  -0.89320635   0.98926144    4.0388252    4.9919488   -2.1699511   0.15646479 
-   50000    16.453196   -1.0433497     0.778346    4.6078069    4.7320614   -2.3760788   0.17161976 
-   51000    18.245221  -0.89550444    0.9310446    3.0758194    4.3944595   -2.3082379   0.19983428 
-   52000    17.839632   -1.0221781   0.76425017    3.3331547    4.5368437   -2.0988773   0.21098435 
-   53000    18.693035   -1.4231915   0.76333082    3.1612761     4.583242   -2.4485762  0.089191206 
-   54000    16.334672  -0.36309884    1.0200365    4.6700448    4.1628702   -2.1713841   0.11431995 
-   55000     17.33842  -0.61522682   0.89847366    3.4970659     4.673495   -2.4743036  0.068004878 
-   56000    17.790294   -1.0150845   0.73697112    3.6000297    4.5988343   -2.4822509   0.11434632 
-   57000    18.913486   -1.0985507    1.0231848    2.7483267    4.4421755    -2.574424    0.1763388 
-   58000    17.586896  -0.98284126   0.96965633    3.3330357    4.5325543   -2.1936869  0.083230915 
-   59000     17.77788   -1.1649953   0.83092298    3.8004148    4.3940176   -2.3136642  0.017207608 
-   60000    17.013042  -0.21728023    1.1688832    3.5374476    4.5462244   -2.4425301   0.15028297 
-   61000    17.236242   -1.1342147    1.0301086     3.685948    4.6842331    -2.328108  0.070210812 
-   62000    17.529852   -1.2961547    1.0323133    3.4474598    5.1435839   -2.4553423  0.060842687 
-   63000    18.754704   -1.1816999   0.51806039     3.140172    4.5832701   -2.2713213   0.06327871 
-   64000     17.54594   -1.3592836    0.9694558    4.1363258    4.3547729   -2.3818433   0.12634448 
-   65000    16.962312  -0.54192775   0.90321315    4.0788618    4.2008255   -2.1376711  0.039504515 
-   66000    18.078619   -1.3552947    1.0716861    3.3285374    4.7229362   -2.3331115   0.21978698 
-   67000    17.132732   -1.4376876   0.91486534    4.4461852    4.6894176   -2.3655045  0.068150385 
-   68000     18.69286   -1.2856207    0.3895394    3.0620063    4.9922992   -2.3459189  0.079879643 
-   69000    18.329552   -1.1545957   0.88632275    3.1741058    4.4562418   -2.7094867   0.25329613 
-   70000    16.681168  -0.94434373    1.2450393    4.5737944    4.4902996   -2.4581775   0.15313095 
-   71000    17.375032   -1.0514442    1.0741595    3.4896146    4.8407713   -2.5302576   0.13640847 
-   72000    17.833013   -0.9047134   0.87067876    3.1658924    4.8825932   -2.4398117    0.2343991 
-   73000    17.421411   -1.2190741   0.73706811       4.2895    4.6464636   -2.3872727   0.19696525 
-   74000    17.383158  -0.34208984   0.71333984    3.2718891    4.2718495   -2.2484281   0.10827022 
-   75000     17.20885   -1.2710479     1.125102    3.8414467    5.3222741    -2.375505   0.12910797 
-   76000    16.811578    -0.545162   0.59076961    3.9118604    4.8031296   -2.2777895  0.063015508 
-   77000    16.679231 -0.080955983    0.7253398    3.4203454    5.0987608    -2.379614   0.12961874 
-   78000    18.164524   -1.3115525   0.92526408    3.5764487    4.3814882   -2.3712488  0.073436724 
-   79000    17.738686   -1.0697859    1.2186866    3.0593848    4.6551053   -2.2505871  0.075340661 
-   80000    16.767483  -0.84777477      1.03128    4.1982958    4.6992227   -2.4146425  0.079774219 
-   81000    16.257265   0.62803774   0.84032194    3.3873471    5.0961071   -2.7219776   0.20467848 
-   82000    18.232082   -1.2129302   0.50746051    3.9207128    4.5073437    -2.599371  0.094522372 
-   83000    16.618985  -0.60917055    0.8825847     3.805497    4.9560959   -2.2194726   0.14852687 
-   84000     17.90762  -0.82336075   0.90504161    3.0324198    4.7444271   -2.5036073   0.15860682 
-   85000    16.699883  -0.50297228   0.83405307    3.8598996    4.7971968   -2.2427788   0.10338668 
-   86000    16.353038 -0.0096880616   0.80705167    4.0865115    4.5364338   -2.4548873  0.098456203 
-   87000    17.887331  -0.75281219    1.0030148    4.0117123    4.3443074   -2.9774392   0.16190152 
-   88000    18.583708   -1.4867053   0.86324814    3.3971237    4.3526221    -2.221239   0.14459352 
-   89000    17.684828    -1.283764    1.0021118    3.5426808    4.9057005   -2.3921967   0.05844702 
-   90000      17.2597  -0.84306489   0.99797936    3.8896866    4.4315457   -2.5662899   0.18270206 
-   91000    16.705581  -0.44704047   0.75239556     3.470805     4.976868   -2.1894571   0.12312848 
-   92000    17.548071   -1.2222664   0.92898812    4.0813773    4.3432647   -2.1631158   0.14071343 
-   93000    17.163675  -0.94994776   0.96876981    3.9137692    4.4388666   -2.1260232   0.13187968 
-   94000    18.842071   -1.2822113   0.58767049    3.1393475    4.5820965   -2.7264682   0.10406266 
-   95000    18.112287   -1.1011381   0.63546648    3.4672667     4.486275   -2.2991936  0.041589685 
-   96000    17.102713   -0.6877313    0.8389032    3.6892719    4.5676004   -2.1905327   0.13507011 
-   97000    16.778253   -1.2902153    1.1588744    4.2820083    4.9537657   -2.4798159   0.35696636 
-   98000     18.34638   -1.2908146     1.185356    3.0739807    4.4575453   -2.3959144   0.22407922 
-   99000    17.995148   -1.3939639    0.7727299    3.8774144    4.4345458   -2.1142776   0.13550099 
-  100000    18.444746   -1.2456693   0.86061526     3.468696    4.5264336   -2.4239851  0.074369539 
-Loop time of 2.52011 on 4 procs for 100000 steps with 34 atoms
-
-Performance: 6856.851 ns/day, 0.004 hours/ns, 39680.850 timesteps/s
-98.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.072506   | 0.28131    | 0.69088    |  46.2 | 11.16
-Bond    | 0.050544   | 0.45307    | 0.9416     |  57.6 | 17.98
-Neigh   | 0.0060885  | 0.0061619  | 0.0062056  |   0.1 |  0.24
-Comm    | 0.44686    | 1.3679     | 2.0111     |  53.5 | 54.28
-Output  | 0.0028057  | 0.0029956  | 0.003264   |   0.3 |  0.12
-Modify  | 0.028202   | 0.095174   | 0.15782    |  19.8 |  3.78
-Other   |            | 0.3135     |            |       | 12.44
-
-Nlocal:    8.5 ave 14 max 2 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Nghost:    25.5 ave 32 max 20 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Neighs:    98.75 ave 242 max 31 min
-Histogram: 2 0 1 0 0 0 0 0 0 1
-
-Total # of neighbors = 395
-Ave neighs/atom = 11.6176
-Ave special neighs/atom = 9.52941
-Neighbor list builds = 246
-Dangerous builds = 0
-Total wall time: 0:00:02
diff --git a/examples/cmap/log.27Nov18.cmap.g++.1 b/examples/cmap/log.27Nov18.cmap.g++.1
new file mode 100644
index 0000000000..c2c90059c4
--- /dev/null
+++ b/examples/cmap/log.27Nov18.cmap.g++.1
@@ -0,0 +1,207 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
+
+units           real
+neigh_modify    delay 2 every 1
+#newton          off
+
+boundary        p p p
+
+atom_style      full
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmmfsw
+improper_style  harmonic
+
+pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+Switching to CHARMM coulomb energy conversion constant (src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp:55)
+pair_modify     mix arithmetic
+
+fix             cmap all cmap charmm22.cmap
+Reading potential file charmm22.cmap with DATE: 2016-09-26
+fix_modify      cmap energy yes
+
+read_data       gagg.data fix cmap crossterm CMAP
+  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  34 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  12 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  33 bonds
+  reading angles ...
+  57 angles
+  reading dihedrals ...
+  75 dihedrals
+  reading impropers ...
+  7 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  13 = max # of 1-4 neighbors
+  16 = max # of special neighbors
+
+special_bonds   charmm
+fix             1 all nve
+
+#fix             1 all nvt temp 300 300 100.0
+#fix             2 all shake 1e-9 500 0 m 1.0
+
+velocity        all create 0.0 12345678 dist uniform
+
+thermo          1000
+thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
+timestep        2.0
+
+run             100000
+Neighbor list info ...
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmmfsw/coul/charmmfsh, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 14.96 | 14.96 | 14.96 Mbytes
+Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
+       0     16.28796  -0.85933785    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
+    1000    18.817034  -0.84376064   0.78927748    2.7554954    4.4369572   -2.7762224   0.12700913 
+    2000    18.091506   -1.0458619   0.72328506    3.0956514    4.6724302   -2.3582544   0.22717594 
+    3000    17.841047   -1.2177066   0.72658478    2.6693344    5.4322049   -2.0735857  0.075472354 
+    4000    16.203768  -0.43010212   0.99813471    3.9020929    5.2015958    -2.562376   0.17393693 
+    5000     17.74278  -0.58387686    0.9095749    3.4440437    4.5474453   -2.3771369   0.12369887 
+    6000     18.84065   -1.5987004   0.81046711    2.9214019    4.5243733   -2.3180496   0.12365723 
+    7000     18.84546  -0.96510756   0.57164583    3.0069325    4.6579161   -2.8966842     0.186473 
+    8000    16.965729  -0.85937109   0.62698075    3.6416157    5.2427548   -2.4812956   0.14018019 
+    9000    16.847152  -0.23916172   0.76630295    3.8009862    4.4066861   -2.2021529    0.1798796 
+   10000    17.553635   -1.2829068    1.1657706    3.9123497    5.0547767   -2.9598952   0.34416632 
+   11000    17.985843   -1.5465483   0.84770758    3.3368358     5.662125   -2.6329553   0.24353243 
+   12000    17.803319   -1.0407393   0.74246545    3.6148795    4.7651004   -2.5084817   0.10619442 
+   13000    18.979266   -1.3899293   0.54141439    2.8249302    4.7550121   -2.5037554   0.11955235 
+   14000    17.009105  -0.79638876   0.94514282    3.8784001    4.5107273   -2.2861709  0.076774568 
+   15000     16.52792 -0.099911028   0.73468109    3.6878436    5.0897919   -2.6694045    0.1846061 
+   16000    18.602333   -1.2207715   0.73683889    3.5724426    4.2967652   -2.1185335   0.14454439 
+   17000    18.548631   -1.4459452   0.87132388    3.1082541    4.4173372   -2.1488103   0.05085499 
+   18000    18.274944   -0.9082365   0.78279222    3.2003259    4.2230915   -2.0279073  0.067678678 
+   19000    18.363395   -1.5446376   0.84278631    3.5192748    4.5827839   -2.3655766   0.16111203 
+   20000     17.92959  -0.78977685   0.83244452    3.3573732    4.5008538   -2.7568218   0.18551385 
+   21000    16.294685  -0.43068016    1.0820062    4.1094083    4.6392086   -2.4608104    0.1504371 
+   22000    17.945194     -1.12622   0.86476498    3.3577152     4.673294   -2.4760964  0.081229709 
+   23000     18.59629   -1.3692394   0.67592321     3.493029    4.5943035    -2.221834   0.13764568 
+   24000    17.636587  -0.46892268   0.59584902    3.2114851    4.7133747   -2.4081857   0.26633414 
+   25000    16.620668  -0.75136289    1.0243884    4.0835198    5.1451753   -2.6824535   0.24777903 
+   26000     18.59225   -1.0967117   0.56177724    3.2556596    4.3523235   -2.4816091    0.1788868 
+   27000    19.188088    -1.871277   0.96616357    3.0120122    4.3122826   -2.2148745   0.10347086 
+   28000    17.912724  -0.90553766    1.1257482    3.2754041    4.2225708   -2.4365707    0.1807316 
+   29000     17.81248   -1.1502128   0.95470623    3.4118416    4.6659831   -2.1613317   0.11462518 
+   30000    17.018989  -0.89064809   0.84950442    4.1712342    4.4636021   -2.3306882   0.15623897 
+   31000    18.547066   -1.5339831   0.89944952    3.3517223    4.7396826   -2.6121868   0.15212539 
+   32000    17.200059   -1.0016932   0.81295912    4.0695758    4.5595904   -2.3605079    0.1387539 
+   33000    17.531814  -0.70849955   0.75743835     3.226091     4.476408   -2.1190694  0.055884538 
+   34000    18.325131   -1.2897672   0.89479605    3.1671187    4.2968993   -1.9697837   0.17312732 
+   35000    18.289817   -1.0149458   0.75194781    3.4275427    4.5914578   -2.3206357   0.12126296 
+   36000    17.111721  -0.59386121   0.84127598    3.5534448    5.0274338     -2.36455  0.090112107 
+   37000    17.748767  -0.91029178   0.77689229    3.8018169    4.7249541   -2.4255194  0.054726961 
+   38000      17.2172  -0.43070288   0.88086005    3.5586613    4.3203841   -2.0587465  0.050764106 
+   39000    18.482481  -0.75351762   0.87677942    2.9007389    4.7178108   -2.6463003   0.25313342 
+   40000    18.465192   -1.4076534   0.92705504    3.3546181    4.4030743   -2.3873054  0.071878288 
+   41000     18.12592   -1.5839327    0.6979962    3.2851401    5.2815413   -2.3054411   0.11390788 
+   42000    18.376705   -1.0077349   0.70647799    2.9499245    4.6421626   -2.3504786   0.17673009 
+   43000    16.929642  -0.72975766   0.90203733    3.7176511    4.7292387   -2.2860424  0.084829761 
+   44000    17.271104  -0.99868378    1.0201679    4.1153184    4.2727269   -2.1172719    0.1029166 
+   45000    18.230889   -1.0093287   0.85777597    2.8550682    4.3913999   -2.0720155  0.073553812 
+   46000    18.241544   -1.7077516   0.95512232    3.8878131    4.3812806   -2.3031674   0.10194331 
+   47000     18.12818  -0.83919194   0.71483948    2.7541388    4.7432398   -2.2644558  0.053413336 
+   48000    17.965762  -0.92946694   0.70540637    3.4567259    4.5010549   -2.3038276   0.15002746 
+   49000    16.815211   0.19052416    1.0076747    3.1045662    4.9638411   -2.3712162    0.1057081 
+   50000    17.193025  -0.89817177    1.2261029    3.7515175    4.4880145   -2.2643247   0.29712734 
+   51000    18.665005  -0.84670757   0.56076732    3.0839868     4.458076   -2.2261738  0.046374416 
+   52000    17.619937  -0.89986585   0.64159147    3.7530936    4.8769799   -2.3791391   0.13429701 
+   53000    16.916466  -0.58872911   0.96495189    3.6755814    4.7419669   -2.3886804   0.20915197 
+   54000    17.199476  -0.88155666   0.64336469     3.927811    4.8019389   -2.2773601   0.18734294 
+   55000    18.158496  -0.81126798   0.68333055    2.9741959    4.4463001   -2.1864535  0.071857857 
+   56000    17.860471      -1.6993    1.2366001    3.7857634    4.7701817   -2.4192649   0.15619688 
+   57000    18.444698  -0.82854071   0.63506471    3.1823771    4.4432216   -2.2987011    0.1407306 
+   58000    18.047238   -1.4404915    1.0095109    3.7328328    4.6385391   -2.1656547  0.068584173 
+   59000    16.990212  -0.81630542   0.73745944    4.2847598    5.1556617   -2.4218952  0.044901478 
+   60000    18.164864  -0.68273809   0.60589655    3.1085907    4.5637459   -2.2379342   0.11464892 
+   61000    17.772457   -1.1890999   0.80411722    3.7218185    4.7750335   -2.4439724   0.11358571 
+   62000    17.192042 -0.095008686   0.71713238    3.2284848    4.9345758   -2.4377098   0.12788027 
+   63000    16.877969  -0.62181425    0.8931036    3.6147379    5.3541158    -2.302381  0.072736635 
+   64000    17.934695   -1.1664658   0.74610888    3.5102215    4.6537266   -2.3495291   0.18818648 
+   65000    17.034947  -0.59670985    0.7590603    3.4896411    5.0725358   -2.3057016  0.067650159 
+   66000    18.259418  -0.57940688   0.55125252    3.2917088    4.4949827   -2.3128319   0.17052154 
+   67000    16.656512   -1.1797815   0.88985636    4.3326457    4.7143632   -2.4187476   0.35820295 
+   68000    18.218359  -0.98502226    0.8053151    2.8694875    4.6774476   -2.2750794  0.027475615 
+   69000    18.591716   -1.2961393   0.85778116    3.4232791    4.3626988   -2.2150059  0.047420611 
+   70000    18.282862   -1.5115081    1.1486318    3.1099158    4.5945816   -2.1742452   0.15701805 
+   71000    17.722244   -1.3606013   0.98913854    3.9050958    4.4617942   -2.1980629   0.16665753 
+   72000    17.578225   -1.0672968    1.1898075    3.3110576    4.6292013   -2.1893929   0.15802869 
+   73000    17.700619   -1.1203382   0.68447774    3.7617044    4.5508307   -2.2031338  0.046795482 
+   74000    18.864586   -1.3377627   0.54243736    3.1047677    4.6094993   -2.2506839    0.0618695 
+   75000    17.252732  -0.75791613   0.79934329    3.6289993    4.8336985   -2.3716023  0.048355835 
+   76000    15.625117  -0.17710917    1.0083339    4.5957493    4.3952808   -2.0145142    0.2165007 
+   77000    18.663599    -1.214034   0.73808593    3.1282966    4.1967921     -2.04274   0.20129707 
+   78000    16.687112  -0.81273153    1.0670946    3.5384094    5.3755076   -2.1922472  0.025711096 
+   79000    18.169502    -1.443215    1.1859821    3.4043489    4.3415317   -2.3447052   0.11854425 
+   80000    18.787124   -1.6654307    1.0501597    3.0298408    4.2077733   -1.9985344   0.26128514 
+   81000    17.807683   -1.3429276   0.83231514    3.8051489     4.659607   -2.3866437   0.20196892 
+   82000    17.331324  -0.78827019   0.95190013    3.7412416    4.3529018    -2.307155  0.073785492 
+   83000    17.597954  -0.36573657   0.84239516    3.1227374    4.5709276   -2.2732398   0.12571923 
+   84000    17.961063   -1.2301714   0.65709128    3.5308724    4.5505295   -2.4116051   0.14784451 
+   85000    18.034924   -1.1445169    1.1114893    3.2704327    4.4570221   -2.3336871  0.084147643 
+   86000     18.35847   -1.0687438   0.71638387    3.2994265    4.7224093   -2.6523985    0.2338977 
+   87000    17.297387  -0.36290631   0.67031988    3.9566445    4.6234059   -2.8008118   0.22786876 
+   88000    17.179923  -0.40756603    1.0448818    3.4777257     4.454146    -2.420876   0.18845717 
+   89000    17.548178   -1.2104623   0.81223923    3.8553959    4.8092953   -2.3606086   0.16057241 
+   90000    18.203445   -1.2476535   0.93776844    3.3519306    4.5880767   -2.3299626   0.13273664 
+   91000    17.577661   -0.9536919   0.98278572    3.6805268     4.269043   -2.2758847   0.16458677 
+   92000    17.249982   -1.2620718    1.2379068     4.077245    4.6893055   -2.3623079  0.080584665 
+   93000    17.263474   -1.1194017   0.56075789    3.9937658    4.9398469    -2.458799    0.1178667 
+   94000    17.794002  -0.94808955   0.82296171    3.4988835     4.723922   -2.4525227  0.093849723 
+   95000    17.380526   -1.3184326    1.2273125      4.01341    4.3749028   -2.1577427   0.12183053 
+   96000    17.421883   -1.0247407   0.98739686    4.1656417    4.5509065   -2.5533884   0.15050166 
+   97000    18.097453  -0.82643049   0.58678318    3.5934164    4.2844244    -2.187686    0.1173314 
+   98000    17.110826   -0.9875292    1.1047966    3.5373119    4.9434687   -2.3951197  0.051018748 
+   99000    17.497671  -0.72505537    1.1343346    3.3335263    4.7133241   -2.3170405   0.18322857 
+  100000    17.502653   -1.2246734   0.85121721     4.132924    4.6912393    -2.605162   0.24425609 
+Loop time of 2.20757 on 1 procs for 100000 steps with 34 atoms
+
+Performance: 7827.606 ns/day, 0.003 hours/ns, 45298.646 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.80344    | 0.80344    | 0.80344    |   0.0 | 36.39
+Bond    | 1.0867     | 1.0867     | 1.0867     |   0.0 | 49.22
+Neigh   | 0.0081377  | 0.0081377  | 0.0081377  |   0.0 |  0.37
+Comm    | 0.017823   | 0.017823   | 0.017823   |   0.0 |  0.81
+Output  | 0.0011017  | 0.0011017  | 0.0011017  |   0.0 |  0.05
+Modify  | 0.21444    | 0.21444    | 0.21444    |   0.0 |  9.71
+Other   |            | 0.07595    |            |       |  3.44
+
+Nlocal:    34 ave 34 max 34 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    395 ave 395 max 395 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 395
+Ave neighs/atom = 11.6176
+Ave special neighs/atom = 9.52941
+Neighbor list builds = 230
+Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/cmap/log.27Nov18.cmap.g++.4 b/examples/cmap/log.27Nov18.cmap.g++.4
new file mode 100644
index 0000000000..63d94b86c8
--- /dev/null
+++ b/examples/cmap/log.27Nov18.cmap.g++.4
@@ -0,0 +1,207 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
+
+units           real
+neigh_modify    delay 2 every 1
+#newton          off
+
+boundary        p p p
+
+atom_style      full
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmmfsw
+improper_style  harmonic
+
+pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+Switching to CHARMM coulomb energy conversion constant (src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp:55)
+pair_modify     mix arithmetic
+
+fix             cmap all cmap charmm22.cmap
+Reading potential file charmm22.cmap with DATE: 2016-09-26
+fix_modify      cmap energy yes
+
+read_data       gagg.data fix cmap crossterm CMAP
+  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  34 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  12 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  33 bonds
+  reading angles ...
+  57 angles
+  reading dihedrals ...
+  75 dihedrals
+  reading impropers ...
+  7 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  13 = max # of 1-4 neighbors
+  16 = max # of special neighbors
+
+special_bonds   charmm
+fix             1 all nve
+
+#fix             1 all nvt temp 300 300 100.0
+#fix             2 all shake 1e-9 500 0 m 1.0
+
+velocity        all create 0.0 12345678 dist uniform
+
+thermo          1000
+thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
+timestep        2.0
+
+run             100000
+Neighbor list info ...
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmmfsw/coul/charmmfsh, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 14.94 | 15.57 | 16.2 Mbytes
+Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
+       0     16.28796  -0.85933785    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
+    1000    18.817034  -0.84376064   0.78927748    2.7554954    4.4369572   -2.7762224   0.12700913 
+    2000    18.091506   -1.0458619   0.72328506    3.0956514    4.6724302   -2.3582544   0.22717594 
+    3000    17.841047   -1.2177066   0.72658478    2.6693344    5.4322049   -2.0735857  0.075472354 
+    4000    16.203768  -0.43010212   0.99813471    3.9020929    5.2015958    -2.562376   0.17393693 
+    5000     17.74278  -0.58387686    0.9095749    3.4440437    4.5474453   -2.3771369   0.12369887 
+    6000     18.84065   -1.5987004   0.81046711    2.9214019    4.5243733   -2.3180496   0.12365723 
+    7000     18.84546  -0.96510756   0.57164583    3.0069325    4.6579161   -2.8966842     0.186473 
+    8000    16.965729  -0.85937109   0.62698075    3.6416157    5.2427548   -2.4812956   0.14018019 
+    9000    16.847152  -0.23916171   0.76630294    3.8009862     4.406686   -2.2021529   0.17987959 
+   10000    17.553634   -1.2829064    1.1657706      3.91235    5.0547763   -2.9598949   0.34416627 
+   11000    17.985844    -1.546548   0.84770734    3.3368355    5.6621242   -2.6329556   0.24353209 
+   12000    17.803315   -1.0407428   0.74246591    3.6148861    4.7651023   -2.5084818   0.10619443 
+   13000    18.979298   -1.3899069   0.54140353     2.824908    4.7549927   -2.5037439    0.1195534 
+   14000    17.009076  -0.79641495   0.94514807    3.8784683    4.5107542   -2.2861686  0.076775119 
+   15000    16.527651  -0.10009622   0.73467885    3.6878968    5.0899041   -2.6692893   0.18460865 
+   16000    18.604151   -1.2210802   0.73655927    3.5718605    4.2964962   -2.1189359   0.14449313 
+   17000    18.546852   -1.4467993   0.87198724    3.1105181    4.4184817   -2.1495741  0.051004484 
+   18000    18.269987  -0.90581341    0.7831269    3.2002375    4.2239607   -2.0289403  0.067912952 
+   19000    18.365165   -1.5425052   0.84132905    3.5171046     4.582444   -2.3624811   0.15993488 
+   20000    17.919207  -0.79257338   0.83410115    3.3693164    4.4968189   -2.7465541    0.1841698 
+   21000    16.278922  -0.44214815    1.0902282    4.1142335    4.6450522   -2.4508096   0.14648872 
+   22000    17.980488   -1.1391025    0.8652074    3.3488636    4.6605505   -2.4768211  0.082465921 
+   23000     18.89971   -1.3694963   0.64862919    3.3841726    4.4302445   -2.2592268   0.13555028 
+   24000    17.161166  -0.55945806   0.69448645    3.4675689    5.0748468   -2.5837022    0.2986302 
+   25000    17.156172  -0.68212797   0.95625815    3.9473369    4.6696376    -2.597154   0.27829376 
+   26000    17.825866  -0.73781842   0.75572313     3.303994    4.6064489   -2.4678257    0.1101394 
+   27000    18.616198   -1.1970872   0.74929218    2.7266748    4.5928796   -2.3031488   0.10452726 
+   28000    17.263879   -1.1343882    1.3560474    3.5869107     4.954875   -2.3468498  0.055318117 
+   29000    18.218484  -0.64810872   0.68572616    3.3763474    4.5347093   -2.5532561  0.044134638 
+   30000    17.213834   -1.1463665   0.81650849    4.5021522    4.5992871     -2.40695   0.04205291 
+   31000      17.8559  -0.99467757   0.71511439    3.5755686    4.9305642   -2.6691079   0.15067927 
+   32000    17.632612   -0.8302854    1.2248328    3.4735959    4.6212801   -2.7231143   0.34288338 
+   33000    17.176657  -0.64567669   0.97026796    3.3935778    4.5587216   -2.2673303   0.14591296 
+   34000    17.928014  -0.78865694   0.54309368     3.508016    4.7763531   -2.4383684   0.18688827 
+   35000    17.961344   -1.3258434   0.79791264    3.6021659    4.7174496   -2.4153924   0.14281974 
+   36000    17.363519  -0.87152419   0.86057615    3.9176779    4.3965038   -2.1041204   0.12738842 
+   37000     16.06135   -1.0007854    1.3152379    4.9256357    4.4181047   -2.2698823   0.20913478 
+   38000    16.980479  -0.95646429   0.81311125    3.9783382    5.1047807   -2.5399437   0.20183215 
+   39000    18.494869  -0.90369184      0.71368    2.9713413    4.7252974   -2.4204755   0.15716213 
+   40000    17.879106  -0.86166372   0.89882312    3.4726397    4.3971385   -2.3460741   0.13021249 
+   41000    18.035763   -1.2809432   0.91931903    3.4005222    4.5201606    -2.411653   0.10482408 
+   42000    17.688254   -1.0984284   0.93541053     3.723003    4.6284132   -2.2978157  0.098932073 
+   43000    17.162211   -1.2347977    1.0781323    4.0892528    4.6269303   -2.3550598   0.05480233 
+   44000    17.368788  -0.62753591   0.95568557    3.2537525    4.6683551    -2.316093   0.17116275 
+   45000     17.28803  -0.76881568   0.92524577    3.6089685    4.3707256   -2.2940853  0.054227805 
+   46000    17.659642   -1.0636933   0.62134856    3.7988149     4.642663   -2.2567824  0.059618876 
+   47000    17.520356  -0.73678104   0.65813025    3.5138815    4.6758778   -2.2989321  0.099899312 
+   48000    16.812802  -0.88677379    0.9634123    3.5723247    5.1067533   -2.3228969    0.1375947 
+   49000    16.689302  -0.84108162   0.97663708    4.5288711    4.2042907   -2.0960932   0.12712083 
+   50000     17.34708  -0.99417589   0.74282621    4.0884892    4.4655725   -2.3445562  0.040137606 
+   51000    18.386747   -1.4258618    0.7415682    3.5702618    4.3472793   -2.3531028  0.076627832 
+   52000     18.62586   -1.3545312    0.8226399    2.8749248    4.6581056   -2.1415891  0.074885964 
+   53000    18.142099   -1.0903937    1.0355955      3.39219    4.3761473   -2.3714216   0.12991324 
+   54000    18.452949   -1.2117507   0.79702906    3.0176388    4.4872416   -2.3195176  0.073698473 
+   55000    17.317369  -0.89629461    0.7135235    4.0285995    4.8471482   -2.3306208  0.067829904 
+   56000    17.331139  -0.70400555   0.92933471    3.1428751    5.1938451   -2.3960347   0.10207963 
+   57000    17.769688  -0.69097945    0.6761737    3.6233451    4.3309071    -2.588033   0.33444943 
+   58000    17.808019  -0.50062525   0.84330344    3.0780006    4.4191107   -2.2626852   0.23176683 
+   59000    16.974427  -0.22275961    1.1171381    3.6002905    4.8457806   -2.4506404  0.086485736 
+   60000    18.426097   -1.1640712   0.89526359    3.0738119    4.3475275   -2.2585607   0.17344541 
+   61000    18.347861   -1.1389796   0.94799071    3.3858595    4.3778565   -2.4264935  0.022565214 
+   62000    17.472407 -0.054270199   0.78119769    3.5192829    4.5922308   -2.7152004  0.077668809 
+   63000    18.451352  -0.99265328   0.65501446    3.1607389    4.4871585   -2.3972756    0.1095194 
+   64000    17.664837   -1.3148668   0.94502551    3.7697825    4.6332111   -2.4479629    0.2841013 
+   65000    17.857844  -0.82183909   0.94533467    3.3987595    4.7509642   -2.9322189   0.15667848 
+   66000    16.809282  -0.11096144   0.79005552    4.2974065     4.667357     -2.85833   0.08678995 
+   67000    18.331716  -0.77668223   0.85848669     2.630497    4.6984372   -2.6328844   0.20335427 
+   68000    17.818595  -0.93709899   0.87885516    3.3973927    4.4542279   -2.2667437   0.18791512 
+   69000    18.115509    -1.440213     1.347904    3.3737104    4.3392351   -2.3748603   0.15273089 
+   70000    17.230663  -0.76722679   0.77580436     3.920298    4.3064374    -2.057197    0.1064338 
+   71000    17.972819  -0.56240735   0.69337989    3.2513062    4.5245288   -2.5597279   0.27216928 
+   72000    18.432872   -1.3313091   0.84535471    3.1727393     4.483952   -2.4128395    0.1378963 
+   73000    17.697723  -0.97837773    1.0529842    3.8074009      4.72378   -2.7174621   0.17825868 
+   74000    18.504521   -1.1231346   0.88277801    3.0479334    4.3481094   -2.2732739  0.086093125 
+   75000    17.934978   -1.4213334    0.9145673    3.8583169    4.5864462   -2.3243695  0.081450732 
+   76000    18.508287  -0.98310739   0.64131006    3.2474703    4.4350548   -2.2768941   0.11216496 
+   77000    16.846831   -1.1997156   0.97525037    4.5115234    4.4822983   -2.2271894   0.15009063 
+   78000    18.298764  -0.89093904     1.151268    2.9546969    4.5531473   -2.6022807   0.17136053 
+   79000    17.440102  -0.84471365   0.79902079    3.7146172    4.5874272   -2.3161711  0.074592893 
+   80000     16.96787  -0.76797183    1.1525337    3.4597685     5.140513   -2.6897182   0.21382322 
+   81000    17.081167   -1.0035883    0.9417994    4.3325391    4.7180405   -2.6083103   0.19511734 
+   82000    16.507622     -1.05195    1.1260094    4.2926577    4.7646789   -2.4006964   0.14462259 
+   83000    17.693074  -0.86921671   0.78469232    3.2635421    4.7625581   -2.1472473  0.089898176 
+   84000    17.485199  -0.63086362   0.84462236    3.7419011    4.3478352   -2.2855255   0.12993625 
+   85000    17.791978   -1.2653364   0.83896065    3.8569475    4.7233956   -2.4464365   0.10326311 
+   86000    17.859089  -0.81401354   0.81139105    3.4899076    4.5074402   -2.3756207   0.13928587 
+   87000    17.922335    -1.381674    1.1201002    4.0246458    4.8013529   -3.0706282   0.14319694 
+   88000    17.891848   -1.1065441   0.95945646    3.8687633    4.2747388   -2.2353028    0.2196999 
+   89000    17.618833  -0.74803168    1.0695045    2.8694377    4.9185961   -2.2867946   0.14163937 
+   90000    18.321207    -1.332528   0.81671672     3.921007    4.2555562   -2.4712797  0.071633057 
+   91000    18.553104   -1.3004122    0.9317915    3.1911912    4.3221185   -2.2542173  0.090485864 
+   92000     17.39548  -0.87272071   0.96671708    3.8750471    4.3904352   -2.5461358    0.1301959 
+   93000    17.706773   -1.0859407   0.96681042    3.5302332    4.5674911   -2.2899428  0.051797638 
+   94000    18.315271   -1.0896814   0.82594056     3.253212    4.6972747   -2.3528794   0.14073237 
+   95000    17.512959   -1.2251671    1.1726435     3.870858    4.2950784   -2.3334602  0.063946067 
+   96000    17.196402    -1.350795    1.0149203    4.5463081      4.46194   -2.2969009  0.057997074 
+   97000    18.119424   -1.1822278    1.0710466    2.9669136    4.5028366   -2.3136825   0.10116804 
+   98000    18.611528   -1.1675308   0.86166718    3.8663186    4.5385301   -3.2887663   0.17772415 
+   99000    17.221377  -0.72476724    1.0463603    3.2816006    4.9591142   -2.6471303   0.23335447 
+  100000    17.500556   -1.0148716    1.2155656    3.5359122    4.5111603   -2.2594507   0.14328565 
+Loop time of 2.16745 on 4 procs for 100000 steps with 34 atoms
+
+Performance: 7972.502 ns/day, 0.003 hours/ns, 46137.167 timesteps/s
+94.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.058708   | 0.22252    | 0.54183    |  40.5 | 10.27
+Bond    | 0.038348   | 0.31503    | 0.66653    |  48.0 | 14.53
+Neigh   | 0.0070002  | 0.007808   | 0.0096803  |   1.2 |  0.36
+Comm    | 0.42884    | 1.1121     | 1.5566     |  42.8 | 51.31
+Output  | 0.002564   | 0.0036213  | 0.0063593  |   2.6 |  0.17
+Modify  | 0.036094   | 0.12956    | 0.22792    |  25.9 |  5.98
+Other   |            | 0.3768     |            |       | 17.38
+
+Nlocal:    8.5 ave 15 max 2 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    25.5 ave 32 max 19 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    98.75 ave 271 max 18 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 395
+Ave neighs/atom = 11.6176
+Ave special neighs/atom = 9.52941
+Neighbor list builds = 236
+Dangerous builds = 0
+Total wall time: 0:00:02

From 852916983a12bf83619ce3011b47146cae9aa68f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 14:53:29 -0500
Subject: [PATCH 207/273] update logs for colloid example

---
 examples/colloid/log.27Nov18.colloid.g++.1 | 153 +++++++++++++++++++++
 examples/colloid/log.27Nov18.colloid.g++.4 | 153 +++++++++++++++++++++
 examples/colloid/log.5Oct16.colloid.g++.1  | 146 --------------------
 examples/colloid/log.5Oct16.colloid.g++.4  | 146 --------------------
 4 files changed, 306 insertions(+), 292 deletions(-)
 create mode 100644 examples/colloid/log.27Nov18.colloid.g++.1
 create mode 100644 examples/colloid/log.27Nov18.colloid.g++.4
 delete mode 100644 examples/colloid/log.5Oct16.colloid.g++.1
 delete mode 100644 examples/colloid/log.5Oct16.colloid.g++.4

diff --git a/examples/colloid/log.27Nov18.colloid.g++.1 b/examples/colloid/log.27Nov18.colloid.g++.1
new file mode 100644
index 0000000000..7eae97eff6
--- /dev/null
+++ b/examples/colloid/log.27Nov18.colloid.g++.1
@@ -0,0 +1,153 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Big colloid particles and small LJ particles
+
+units		lj
+atom_style	sphere
+dimension	2
+
+lattice		sq 0.01
+Lattice spacing in x,y,z = 10 10 10
+region		box block 0 30 0 30 -0.5 0.5
+create_box	2 box
+Created orthogonal box = (0 0 -5) to (300 300 5)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 900 atoms
+  Time spent = 0.000598431 secs
+
+set		group all type/fraction 2 0.96 23984
+  861 settings made for type/fraction
+
+set		type 1 mass 9
+  39 settings made for mass
+set		type 2 mass 1
+  861 settings made for mass
+
+velocity	all create 1.44 87287 loop geom
+
+# multi neighbor and comm for efficiency
+
+neighbor	1 multi
+neigh_modify	delay 0
+comm_modify     mode multi
+
+# colloid potential
+
+pair_style	colloid 12.5
+pair_coeff	1 1  1.0 1.0 5.0 5.0 12.5
+pair_coeff	1 2  5.0 1.0 5.0 0.0 7.0
+pair_coeff	2 2 10.0 1.0 0.0 0.0 2.5
+
+fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
+fix		2 all enforce2d
+
+#dump		1 all atom 1000 dump.colloid
+
+#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
+#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5
+
+#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
+#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5
+
+thermo_style	custom step temp epair etotal press vol
+thermo		1000
+
+timestep	0.005
+
+run		50000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 13.5
+  ghost atom cutoff = 13.5
+  binsize = 1.75, bins = 172 172 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair colloid, perpetual
+      attributes: half, newton on
+      pair build: half/multi/newton
+      stencil: half/multi/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.445 | 4.445 | 4.445 Mbytes
+Step Temp E_pair TotEng Press Volume 
+       0         1.44 -2.2136534e-06    1.4383978  0.014383923        90000 
+    1000    1.9572809 -0.00036743274    1.9547388  0.017982269    98935.161 
+    2000     2.068567 -0.0010518227    2.0652168  0.019466739    96307.439 
+    3000    2.1787472 0.0045846363     2.180911  0.029249545     68560.31 
+    4000    2.1979309 0.0017234058    2.1972121  0.048831814    42699.657 
+    5000    2.1541368 0.0068842503    2.1586276   0.07471981    28571.492 
+    6000    2.1113173 0.0024196693    2.1113911  0.091799816     21611.61 
+    7000    2.0788416 0.0060975475    2.0826293   0.11638141    17868.699 
+    8000    2.0587325  0.011431711    2.0678767     0.136977    15515.134 
+    9000    2.0608274 0.00084150047    2.0593791    0.1448357    13890.944 
+   10000    2.0446145  0.016230031    2.0585728   0.17785946    12557.927 
+   11000    2.0481772  0.008961682    2.0548631    0.1925805    11482.879 
+   12000    2.0536702 0.0065675004    2.0579558   0.19987216    10543.356 
+   13000    2.0483659 0.0071445135    2.0532344   0.22867229     9777.939 
+   14000    2.0334727  0.020440289    2.0516536   0.25700656    9138.0619 
+   15000    2.0221794  0.032212195    2.0521448   0.28477019    8585.7952 
+   16000     2.029058  0.024040298    2.0508438   0.28585812    8095.1269 
+   17000    2.0270567  0.025118634     2.049923   0.30905216    7689.7819 
+   18000    2.0123899  0.037421737    2.0475757    0.3636938    7364.3469 
+   19000     2.019082  0.032220518    2.0490591   0.35887838    7063.0831 
+   20000    2.0383387  0.013928928    2.0500028   0.35029696    6810.6189 
+   21000    2.0113975  0.039874446    2.0490371   0.41652382     6555.842 
+   22000    2.0292399  0.029463117    2.0564483   0.40823941    6292.2335 
+   23000    2.0271279  0.033537888    2.0584134    0.4359853    6051.2547 
+   24000    2.0075928  0.044388917    2.0497511   0.46590892      5890.69 
+   25000    2.0345451  0.017490239    2.0497748   0.44508598    5798.4911 
+   26000    1.9933171  0.070984054    2.0620863   0.53325353     5618.279 
+   27000    2.0437208  0.022615819    2.0640658   0.50130607    5440.3246 
+   28000    2.0101461  0.054907742    2.0628204   0.55318766    5304.6714 
+   29000    2.0231122  0.043194685    2.0640589   0.54438745    5197.9144 
+   30000    2.0036611  0.062982451    2.0644173    0.5791539    5071.4318 
+   31000    2.0118619  0.055674047    2.0653006   0.63370324    4956.3038 
+   32000    2.0291738  0.035314054    2.0622333   0.59475403    4852.8359 
+   33000    1.9954345  0.075707165    2.0689245    0.6809065    4761.5146 
+   34000    2.0141897   0.04990827    2.0618599   0.61183102    4681.1535 
+   35000    2.0002914  0.072549616    2.0706185   0.78205667    4595.2138 
+   36000    2.0048956  0.065248982     2.067917   0.74763198    4502.7759 
+   37000    2.0229016  0.049698006     2.070352    0.6949933    4422.5382 
+   38000    2.0291924  0.048408539    2.0753463   0.67746901    4353.6336 
+   39000    2.0057251  0.071071345    2.0745679     0.781985    4293.9239 
+   40000    2.0314588  0.052600075    2.0818017   0.71759858    4247.5894 
+   41000    2.0229153  0.059717009    2.0803846   0.73068778    4179.9404 
+   42000     2.003508  0.080215578    2.0814975   0.81505369    4124.3279 
+   43000    2.0034351  0.079898162    2.0811072   0.81862672    4075.4928 
+   44000    2.0151423  0.074554369    2.0874576   0.84679645    4014.0973 
+   45000    2.0210784  0.073589668    2.0924224   0.82507573    3960.3663 
+   46000    2.0192162  0.069599489    2.0865721   0.87813695     3915.513 
+   47000     2.019728  0.071103706    2.0885875   0.90918917    3864.3408 
+   48000    2.0138563  0.073940136    2.0855588   0.86312211    3819.3487 
+   49000    2.0257679  0.066368453    2.0898855   0.99155677    3794.5614 
+   50000    2.0054884  0.089153801    2.0924139   0.99114819    3770.4528 
+Loop time of 9.13278 on 1 procs for 50000 steps with 900 atoms
+
+Performance: 2365106.031 tau/day, 5474.782 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.0125     | 4.0125     | 4.0125     |   0.0 | 43.93
+Neigh   | 1.4242     | 1.4242     | 1.4242     |   0.0 | 15.59
+Comm    | 0.45633    | 0.45633    | 0.45633    |   0.0 |  5.00
+Output  | 0.00083971 | 0.00083971 | 0.00083971 |   0.0 |  0.01
+Modify  | 2.8978     | 2.8978     | 2.8978     |   0.0 | 31.73
+Other   |            | 0.3412     |            |       |  3.74
+
+Nlocal:    900 ave 900 max 900 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    571 ave 571 max 571 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5952 ave 5952 max 5952 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 5952
+Ave neighs/atom = 6.61333
+Neighbor list builds = 3099
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:09
diff --git a/examples/colloid/log.27Nov18.colloid.g++.4 b/examples/colloid/log.27Nov18.colloid.g++.4
new file mode 100644
index 0000000000..af1e412ae9
--- /dev/null
+++ b/examples/colloid/log.27Nov18.colloid.g++.4
@@ -0,0 +1,153 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Big colloid particles and small LJ particles
+
+units		lj
+atom_style	sphere
+dimension	2
+
+lattice		sq 0.01
+Lattice spacing in x,y,z = 10 10 10
+region		box block 0 30 0 30 -0.5 0.5
+create_box	2 box
+Created orthogonal box = (0 0 -5) to (300 300 5)
+  2 by 2 by 1 MPI processor grid
+create_atoms	1 box
+Created 900 atoms
+  Time spent = 0.000492334 secs
+
+set		group all type/fraction 2 0.96 23984
+  861 settings made for type/fraction
+
+set		type 1 mass 9
+  39 settings made for mass
+set		type 2 mass 1
+  861 settings made for mass
+
+velocity	all create 1.44 87287 loop geom
+
+# multi neighbor and comm for efficiency
+
+neighbor	1 multi
+neigh_modify	delay 0
+comm_modify     mode multi
+
+# colloid potential
+
+pair_style	colloid 12.5
+pair_coeff	1 1  1.0 1.0 5.0 5.0 12.5
+pair_coeff	1 2  5.0 1.0 5.0 0.0 7.0
+pair_coeff	2 2 10.0 1.0 0.0 0.0 2.5
+
+fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
+fix		2 all enforce2d
+
+#dump		1 all atom 1000 dump.colloid
+
+#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
+#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5
+
+#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
+#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5
+
+thermo_style	custom step temp epair etotal press vol
+thermo		1000
+
+timestep	0.005
+
+run		50000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 13.5
+  ghost atom cutoff = 13.5
+  binsize = 1.75, bins = 172 172 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair colloid, perpetual
+      attributes: half, newton on
+      pair build: half/multi/newton
+      stencil: half/multi/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.344 | 4.344 | 4.345 Mbytes
+Step Temp E_pair TotEng Press Volume 
+       0         1.44 -2.2136534e-06    1.4383978  0.014383923        90000 
+    1000    1.9572809 -0.00036743274    1.9547388  0.017982269    98935.161 
+    2000     2.068567 -0.0010518227    2.0652168  0.019466739    96307.439 
+    3000    2.1787472 0.0045846363     2.180911  0.029249545     68560.31 
+    4000    2.1979309 0.0017234058    2.1972121  0.048831814    42699.657 
+    5000    2.1541368 0.0068842504    2.1586276   0.07471981    28571.492 
+    6000    2.1113175 0.0024194723    2.1113911  0.091799767     21611.61 
+    7000    2.0788795 0.0060577432    2.0826274   0.11639395    17868.707 
+    8000    2.0537762   0.01651572    2.0680099   0.13601134     15517.28 
+    9000    2.0427394  0.019556597    2.0600262   0.15430942     13881.26 
+   10000     2.050769  0.010396598     2.058887   0.16312819    12594.101 
+   11000    2.0439348  0.018189464    2.0598533    0.2172647     11494.35 
+   12000    2.0493504  0.010908719    2.0579821   0.21333624     10567.11 
+   13000    2.0474606  0.013141328    2.0583269    0.2321885    9768.8239 
+   14000    2.0370325  0.020936303    2.0557055   0.27034432    9105.9607 
+   15000    2.0077835  0.045753549    2.0513062    0.3078643    8580.9799 
+   16000    2.0184593  0.035585101    2.0518017   0.28738263    8120.9005 
+   17000    2.0071721  0.044732393    2.0496743   0.32368949    7762.8875 
+   18000    2.0085194  0.043117932    2.0494056   0.35526658    7442.6597 
+   19000    2.0263547  0.029022667    2.0531258    0.3691966    7124.1683 
+   20000    2.0285624   0.03264145    2.0589499   0.39783282    6810.1273 
+   21000    2.0212924  0.039016129    2.0580626   0.42089074    6535.8717 
+   22000    2.0285415  0.030259995    2.0565475   0.42080619    6301.8013 
+   23000    2.0344885   0.02346797    2.0556959    0.4345206    6100.1797 
+   24000    2.0219939  0.031317084    2.0510643   0.41301645    5921.1948 
+   25000     2.034277  0.023680834    2.0556976   0.47443175    5749.5789 
+   26000    2.0143035  0.051903569     2.063969   0.47278476    5570.3177 
+   27000    2.0091763  0.054826231    2.0617701   0.53731629    5405.5081 
+   28000    2.0306603  0.030512009     2.058916   0.50158605    5292.5739 
+   29000    1.9905878  0.063609393    2.0519854   0.62105081    5217.6324 
+   30000    2.0047307  0.057002418    2.0595056   0.59872107    5125.6009 
+   31000    2.0076871  0.064365243    2.0698216   0.56914126    4971.7382 
+   32000    2.0399769  0.031886115    2.0695964   0.55523269    4850.6347 
+   33000    2.0196607  0.042847913    2.0602646    0.5749789    4770.7458 
+   34000    2.0079696  0.067168038    2.0729066   0.70228842    4704.8088 
+   35000    2.0264945  0.043126775    2.0673696   0.62754917    4625.3307 
+   36000     2.029471  0.050993168    2.0782092   0.65985012    4513.2576 
+   37000    2.0211356  0.053873626    2.0727635   0.75743646    4426.8691 
+   38000    1.9933609   0.08028105    2.0714271     0.729473    4388.5022 
+   39000    2.0046836  0.076855879     2.079312   0.83705993    4291.7229 
+   40000    2.0321953  0.046360451    2.0762978   0.71726696    4229.9223 
+   41000    2.0332458  0.051512927    2.0824996   0.78613181    4157.4167 
+   42000    1.9750553  0.097198273    2.0700591   0.84569229    4123.0833 
+   43000    2.0234742  0.056757566    2.0779835   0.78732804    4096.6281 
+   44000    1.9966481  0.094296711    2.0887263   0.86811037    4021.0355 
+   45000    2.0099144  0.077843813     2.085525   0.87222128    3961.2649 
+   46000    1.9959281  0.090282388    2.0839928   0.90564582    3916.4041 
+   47000    2.0174181  0.067872225    2.0830488   0.86559533    3889.8008 
+   48000    2.0066047  0.094875259    2.0992504   0.99089696    3835.3328 
+   49000    2.0031392  0.094024663    2.0949381    1.0600075    3789.3375 
+   50000    2.0307693  0.059124989    2.0876379   0.85398261    3770.4556 
+Loop time of 4.0156 on 4 procs for 50000 steps with 900 atoms
+
+Performance: 5379021.062 tau/day, 12451.438 timesteps/s
+94.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.8857     | 0.95678    | 0.99748    |   4.6 | 23.83
+Neigh   | 0.34187    | 0.39239    | 0.42858    |   5.1 |  9.77
+Comm    | 0.95431    | 1.0287     | 1.1204     |   6.3 | 25.62
+Output  | 0.0010757  | 0.0037161  | 0.011632   |   7.5 |  0.09
+Modify  | 1.3279     | 1.3522     | 1.3823     |   1.7 | 33.67
+Other   |            | 0.2818     |            |       |  7.02
+
+Nlocal:    225 ave 251 max 186 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+Nghost:    302.75 ave 330 max 288 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Neighs:    1487.5 ave 1689 max 1191 min
+Histogram: 1 0 0 0 0 1 0 0 1 1
+
+Total # of neighbors = 5950
+Ave neighs/atom = 6.61111
+Neighbor list builds = 3097
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:04
diff --git a/examples/colloid/log.5Oct16.colloid.g++.1 b/examples/colloid/log.5Oct16.colloid.g++.1
deleted file mode 100644
index e4c31be124..0000000000
--- a/examples/colloid/log.5Oct16.colloid.g++.1
+++ /dev/null
@@ -1,146 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Big colloid particles and small LJ particles
-
-units		lj
-atom_style	sphere
-dimension	2
-
-lattice		sq 0.01
-Lattice spacing in x,y,z = 10 10 10
-region		box block 0 30 0 30 -0.5 0.5
-create_box	2 box
-Created orthogonal box = (0 0 -5) to (300 300 5)
-  1 by 1 by 1 MPI processor grid
-create_atoms	1 box
-Created 900 atoms
-
-set		group all type/fraction 2 0.96 23984
-  861 settings made for type/fraction
-
-set		type 1 mass 9
-  39 settings made for mass
-set		type 2 mass 1
-  861 settings made for mass
-
-velocity	all create 1.44 87287 loop geom
-
-# multi neighbor and comm for efficiency
-
-neighbor	1 multi
-neigh_modify	delay 0
-comm_modify     mode multi
-
-# colloid potential
-
-pair_style	colloid 12.5
-pair_coeff	1 1  1.0 1.0 5.0 5.0 12.5
-pair_coeff	1 2  5.0 1.0 5.0 0.0 7.0
-pair_coeff	2 2 10.0 1.0 0.0 0.0 2.5
-
-fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
-fix		2 all enforce2d
-
-#dump		1 all atom 1000 dump.colloid
-
-#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
-#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5
-
-#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
-#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5
-
-thermo_style	custom step temp epair etotal press vol
-thermo		1000
-
-timestep	0.005
-
-run		50000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 13.5
-  ghost atom cutoff = 13.5
-  binsize = 1.75 -> bins = 172 172 6
-Memory usage per processor = 3.86192 Mbytes
-Step Temp E_pair TotEng Press Volume 
-       0         1.44 -2.2136534e-06    1.4383978  0.014383923        90000 
-    1000    1.9572355 -0.00037176804     1.954689  0.017979461    98945.011 
-    2000    2.0686234 -0.0010137498    2.0653112   0.01947028    96310.014 
-    3000    2.1785689 0.0049562211    2.1811045  0.029298361     68537.78 
-    4000     2.200053 0.00039100896    2.1979995  0.048071724    42672.579 
-    5000    2.1407629  0.016107912    2.1544922  0.076141728      28576.1 
-    6000    2.1131357 0.00050904012    2.1112969  0.095060602    21598.175 
-    7000    2.0717026  0.013639823    2.0830406   0.11782618    17864.757 
-    8000    2.0557671  0.015637275    2.0691201   0.13461012    15542.602 
-    9000     2.052181  0.011294709    2.0611955   0.15150744    13852.149 
-   10000    2.0531753  0.005995461    2.0568894   0.17005868    12487.961 
-   11000    2.0458212  0.013960278    2.0575083   0.18853479     11391.15 
-   12000    2.0405323   0.01846093     2.056726   0.20856764    10532.913 
-   13000    2.0169788  0.041436672    2.0561744   0.23593917    9743.2413 
-   14000    2.0381291  0.017030208    2.0528947   0.23907374     9093.804 
-   15000    2.0400498  0.010140701    2.0479238   0.27667462    8571.3248 
-   16000    2.0280005  0.024278921    2.0500261   0.31642444    8133.8701 
-   17000    2.0330813  0.018237365    2.0490597   0.30128788    7764.8228 
-   18000    2.0239878   0.02723825    2.0489771   0.30818234     7455.765 
-   19000    2.0213402  0.035515393    2.0546096   0.39654991    7096.9286 
-   20000     2.024466  0.032163441    2.0543801   0.37550172    6782.3498 
-   21000     2.033932  0.017240839    2.0489129   0.39674508    6520.0345 
-   22000    2.0204921  0.033630164    2.0518773   0.41617948    6306.7194 
-   23000    2.0103922  0.046109389    2.0542679   0.44503939    6108.8439 
-   24000    2.0063543  0.049507774    2.0536328    0.4949354    5923.2093 
-   25000    1.9953872  0.066107231    2.0592773    0.5424389    5746.6695 
-   26000    2.0416248  0.020853398    2.0602097   0.46642685    5593.8186 
-   27000    2.0280574  0.037040684    2.0628447   0.49730884     5433.376 
-   28000    2.0039648  0.055918617    2.0576568   0.56893257    5281.5584 
-   29000    2.0042398  0.056161548    2.0581744   0.55361133    5164.0991 
-   30000     2.031788  0.030776854    2.0603073   0.58478846    5056.2821 
-   31000    2.0220647  0.044025601    2.0638435   0.60571441    4939.9798 
-   32000    2.0115578    0.0548283     2.064151   0.62749615    4859.2601 
-   33000    1.9905768  0.071616735    2.0599817   0.64066244    4787.7818 
-   34000    2.0209823  0.052197269    2.0709341   0.68260584    4705.5825 
-   35000     1.995165  0.078611977    2.0715601   0.69333031    4599.9346 
-   36000     1.994471  0.079545726    2.0718006    0.7510532    4523.7494 
-   37000    1.9939754  0.083417982    2.0751779   0.73746747    4449.8485 
-   38000    1.9808613  0.098188975    2.0768493   0.89305039    4362.0588 
-   39000    2.0056223  0.070537588    2.0739314   0.75049166     4320.201 
-   40000    2.0490165  0.033488307    2.0802281   0.71809099    4259.8017 
-   41000    2.0170375  0.066555481    2.0813519   0.80145545     4165.276 
-   42000     2.034609  0.050123688     2.082472    0.7318767    4099.5342 
-   43000     2.027217  0.053657298    2.0786218   0.79779536    4050.1962 
-   44000    2.0107551   0.07427185    2.0827928   0.88949517    4022.2995 
-   45000     2.035579  0.054511708     2.087829   0.85058092    3982.0592 
-   46000    1.9855666    0.1079948    2.0913552   0.96268676     3937.279 
-   47000    1.9938397  0.095380271    2.0870046   0.94036115    3882.9266 
-   48000    2.0056151  0.087885527    2.0912722   0.94935203    3824.2309 
-   49000    2.0079615  0.089440768    2.0951712   0.97596247    3781.8079 
-   50000    1.9875181   0.10628651    2.0915963    1.1315334    3749.1501 
-Loop time of 8.34943 on 1 procs for 50000 steps with 900 atoms
-
-Performance: 2587004.175 tau/day, 5988.436 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.9819     | 3.9819     | 3.9819     |   0.0 | 47.69
-Neigh   | 1.3743     | 1.3743     | 1.3743     |   0.0 | 16.46
-Comm    | 0.31324    | 0.31324    | 0.31324    |   0.0 |  3.75
-Output  | 0.00052619 | 0.00052619 | 0.00052619 |   0.0 |  0.01
-Modify  | 2.3748     | 2.3748     | 2.3748     |   0.0 | 28.44
-Other   |            | 0.3047     |            |       |  3.65
-
-Nlocal:    900 ave 900 max 900 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    548 ave 548 max 548 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    6073 ave 6073 max 6073 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 6073
-Ave neighs/atom = 6.74778
-Neighbor list builds = 3122
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:08
diff --git a/examples/colloid/log.5Oct16.colloid.g++.4 b/examples/colloid/log.5Oct16.colloid.g++.4
deleted file mode 100644
index d3ce819286..0000000000
--- a/examples/colloid/log.5Oct16.colloid.g++.4
+++ /dev/null
@@ -1,146 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Big colloid particles and small LJ particles
-
-units		lj
-atom_style	sphere
-dimension	2
-
-lattice		sq 0.01
-Lattice spacing in x,y,z = 10 10 10
-region		box block 0 30 0 30 -0.5 0.5
-create_box	2 box
-Created orthogonal box = (0 0 -5) to (300 300 5)
-  2 by 2 by 1 MPI processor grid
-create_atoms	1 box
-Created 900 atoms
-
-set		group all type/fraction 2 0.96 23984
-  861 settings made for type/fraction
-
-set		type 1 mass 9
-  39 settings made for mass
-set		type 2 mass 1
-  861 settings made for mass
-
-velocity	all create 1.44 87287 loop geom
-
-# multi neighbor and comm for efficiency
-
-neighbor	1 multi
-neigh_modify	delay 0
-comm_modify     mode multi
-
-# colloid potential
-
-pair_style	colloid 12.5
-pair_coeff	1 1  1.0 1.0 5.0 5.0 12.5
-pair_coeff	1 2  5.0 1.0 5.0 0.0 7.0
-pair_coeff	2 2 10.0 1.0 0.0 0.0 2.5
-
-fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
-fix		2 all enforce2d
-
-#dump		1 all atom 1000 dump.colloid
-
-#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
-#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5
-
-#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
-#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5
-
-thermo_style	custom step temp epair etotal press vol
-thermo		1000
-
-timestep	0.005
-
-run		50000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 13.5
-  ghost atom cutoff = 13.5
-  binsize = 1.75 -> bins = 172 172 6
-Memory usage per processor = 3.76692 Mbytes
-Step Temp E_pair TotEng Press Volume 
-       0         1.44 -2.2136534e-06    1.4383978  0.014383923        90000 
-    1000    1.9572355 -0.00037176804     1.954689  0.017979461    98945.011 
-    2000    2.0686234 -0.0010137498    2.0653112   0.01947028    96310.014 
-    3000    2.1785689 0.0049562211    2.1811045  0.029298361     68537.78 
-    4000     2.200053 0.00039100896    2.1979995  0.048071724    42672.579 
-    5000    2.1407629  0.016107891    2.1544922  0.076141723      28576.1 
-    6000    2.1131348 0.00051000844    2.1112968  0.095061489    21598.174 
-    7000    2.0735911  0.011894403    2.0831815   0.11729552    17864.933 
-    8000    2.0619661 0.0060168177    2.0656919    0.1295732    15547.781 
-    9000    2.0595354 0.0024157411    2.0596627   0.14657861    13836.694 
-   10000    2.0425447  0.018278949    2.0585541    0.1740235    12474.354 
-   11000    2.0460068  0.012079252    2.0558127   0.19227728    11392.874 
-   12000    2.0372027  0.019110617    2.0540498   0.21648482    10523.896 
-   13000    2.0416804  0.015790699    2.0552026   0.24604625    9785.1314 
-   14000    2.0466943 0.0064454505    2.0508656   0.22777839    9165.8411 
-   15000    2.0436536  0.015576669    2.0569595   0.28266826    8582.5053 
-   16000    2.0335541   0.01998798    2.0512825    0.2894612    8114.5044 
-   17000    2.0109406  0.039132968    2.0478392   0.34665262    7758.9312 
-   18000     2.016964  0.038362354    2.0530852   0.37108874    7399.6774 
-   19000    2.0399584  0.012731426    2.0504232   0.32979629    7081.8066 
-   20000    2.0260154  0.027880228    2.0516445   0.36371005    6812.6037 
-   21000    2.0321966  0.023814364     2.053753   0.36376888    6556.4552 
-   22000    1.9850947  0.072749763    2.0556388   0.52542507    6293.5003 
-   23000    2.0360536   0.02395391    2.0577452   0.42540507    6061.6557 
-   24000    2.0237181  0.032711377    2.0541809   0.43998497    5883.2886 
-   25000    2.0145711  0.042376354    2.0547091   0.54706192    5715.4423 
-   26000      2.00533  0.049986982    2.0530888   0.55453953    5564.0132 
-   27000    2.0266398  0.035044901    2.0594329   0.51842026    5431.0259 
-   28000    2.0321757  0.029913711    2.0598314   0.49663872    5305.2909 
-   29000    1.9964359  0.066498777    2.0607164   0.56461185    5174.9947 
-   30000     1.982908  0.082624709    2.0633294   0.65815484    5046.1903 
-   31000    2.0141773  0.049027808    2.0609671   0.58512256    4980.1474 
-   32000    1.9938427  0.076695158    2.0683225   0.64309333    4844.0907 
-   33000     2.012869  0.054851302    2.0654838   0.63073652    4749.9868 
-   34000    1.9867827  0.083467738    2.0680429    0.7840696    4656.3038 
-   35000    2.0013706  0.067630614    2.0667775   0.72991936    4566.7052 
-   36000    2.0106349  0.063148106     2.071549   0.73927159    4495.7351 
-   37000    2.0245299  0.053399546      2.07568    0.7189467     4423.018 
-   38000    2.0133929  0.062427506    2.0735833   0.74002573    4351.9277 
-   39000    1.9874796  0.088021324    2.0732926   0.79349127    4293.1815 
-   40000    2.0240342  0.057908137    2.0796935   0.75182186    4235.9306 
-   41000    1.9973584  0.077969812    2.0731089   0.83868109    4218.8397 
-   42000    2.0034131  0.079826384    2.0810134   0.78010078    4179.2254 
-   43000    2.0438594  0.047617472    2.0892059   0.77402823    4089.0577 
-   44000     2.021871  0.066506327    2.0861308   0.82593265    3999.9932 
-   45000    2.0052391   0.07876379    2.0817748   0.84100298    3958.8163 
-   46000    2.0163501  0.073621087    2.0877308    0.8621767    3920.4982 
-   47000     2.020619  0.067706551    2.0860804   0.92651509     3885.827 
-   48000    2.0168306  0.082111421    2.0967011    0.9214563    3829.1155 
-   49000    2.0007804  0.098241181    2.0967985   0.93140657    3755.3901 
-   50000    2.0213773  0.071280328    2.0904116    0.9408025    3734.5105 
-Loop time of 3.66837 on 4 procs for 50000 steps with 900 atoms
-
-Performance: 5888181.024 tau/day, 13630.049 timesteps/s
-98.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.0038     | 1.0256     | 1.0441     |   1.4 | 27.96
-Neigh   | 0.33784    | 0.35406    | 0.36994    |   2.1 |  9.65
-Comm    | 0.82073    | 0.85742    | 0.88285    |   2.5 | 23.37
-Output  | 0.00096369 | 0.0010209  | 0.0011663  |   0.3 |  0.03
-Modify  | 1.178      | 1.1807     | 1.1825     |   0.1 | 32.19
-Other   |            | 0.2496     |            |       |  6.80
-
-Nlocal:    225 ave 234 max 208 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-Nghost:    305.25 ave 313 max 299 min
-Histogram: 1 0 0 1 1 0 0 0 0 1
-Neighs:    1501.75 ave 1627 max 1408 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
-
-Total # of neighbors = 6007
-Ave neighs/atom = 6.67444
-Neighbor list builds = 3071
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03

From ab924e4f1dfa88037d8fe8a393b99852023549f8 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 15:36:16 -0500
Subject: [PATCH 208/273] update log files for comb examples

---
 examples/comb/ffield.comb                     |  99 +---
 examples/comb/ffield.comb3                    | 524 +-----------------
 ...omb.Cu.g++.1 => log.27Nov18.comb.Cu.g++.1} |  31 +-
 ...omb.Cu.g++.4 => log.27Nov18.comb.Cu.g++.4} |  31 +-
 ....1 => log.27Nov18.comb.Cu2O.elastic.g++.1} | 158 +++---
 ....4 => log.27Nov18.comb.Cu2O.elastic.g++.4} | 156 +++---
 ...HfO2.g++.1 => log.27Nov18.comb.HfO2.g++.1} |  98 ++--
 ...HfO2.g++.4 => log.27Nov18.comb.HfO2.g++.4} |  96 ++--
 ...++.1 => log.27Nov18.comb.Si.elastic.g++.1} | 132 ++---
 ...++.4 => log.27Nov18.comb.Si.elastic.g++.4} | 130 ++---
 ...omb.Si.g++.1 => log.27Nov18.comb.Si.g++.1} |  31 +-
 ...omb.Si.g++.4 => log.27Nov18.comb.Si.g++.4} |  31 +-
 ...16.comb3.g++.1 => log.27Nov18.comb3.g++.1} |  34 +-
 ...16.comb3.g++.4 => log.27Nov18.comb3.g++.4} |  32 +-
 14 files changed, 486 insertions(+), 1097 deletions(-)
 mode change 100644 => 120000 examples/comb/ffield.comb
 mode change 100644 => 120000 examples/comb/ffield.comb3
 rename examples/comb/{log.5Oct16.comb.Cu.g++.1 => log.27Nov18.comb.Cu.g++.1} (80%)
 rename examples/comb/{log.5Oct16.comb.Cu.g++.4 => log.27Nov18.comb.Cu.g++.4} (80%)
 rename examples/comb/{log.5Oct16.comb.Cu2O.elastic.g++.1 => log.27Nov18.comb.Cu2O.elastic.g++.1} (81%)
 rename examples/comb/{log.5Oct16.comb.Cu2O.elastic.g++.4 => log.27Nov18.comb.Cu2O.elastic.g++.4} (81%)
 rename examples/comb/{log.5Oct16.comb.HfO2.g++.1 => log.27Nov18.comb.HfO2.g++.1} (76%)
 rename examples/comb/{log.5Oct16.comb.HfO2.g++.4 => log.27Nov18.comb.HfO2.g++.4} (76%)
 rename examples/comb/{log.5Oct16.comb.Si.elastic.g++.1 => log.27Nov18.comb.Si.elastic.g++.1} (80%)
 rename examples/comb/{log.5Oct16.comb.Si.elastic.g++.4 => log.27Nov18.comb.Si.elastic.g++.4} (79%)
 rename examples/comb/{log.5Oct16.comb.Si.g++.1 => log.27Nov18.comb.Si.g++.1} (80%)
 rename examples/comb/{log.5Oct16.comb.Si.g++.4 => log.27Nov18.comb.Si.g++.4} (80%)
 rename examples/comb/{log.5Oct16.comb3.g++.1 => log.27Nov18.comb3.g++.1} (77%)
 rename examples/comb/{log.5Oct16.comb3.g++.4 => log.27Nov18.comb3.g++.4} (79%)

diff --git a/examples/comb/ffield.comb b/examples/comb/ffield.comb
deleted file mode 100644
index 2e685a9ed4..0000000000
--- a/examples/comb/ffield.comb
+++ /dev/null
@@ -1,98 +0,0 @@
-# DATE: 2011-02-22 DATE: 2010-12-17 CONTRIBUTOR: Tzu-Ray Shan, tnshan@sandia.gov  CITATION: Shan, Devine, Sinnott and Phillpot, Phys Rev B, 81, 125328 (2010)
-# COMB parameters for various elements (Si, Cu, Hf, Ti, O) and mixtures (their oxides and alloys)
-# Edited by Tzu-Ray Shan from MSE, Univ. FL in Apr 2010
-#
-# Elements currently available: Si, Cu, Hf, Ti
-# Oxides   currently available: Si-O, Cu-O, Hf-O, Ti-O
-# Other interactions available: Cu-Ti, Cu-Si, Si-Hf
-#
-# Si parameter set from (JG Yu, SB Sinnott, SR Phillpot, Phys. Rev. B 75 085311 2007)
-# 		   ,and (TR Shan, BD Devine, SR Phillpot, SB Sinnott, to be sub to Phys. Rev. B)
-# O  parameter set from (TR Shan, BD Devine, SB Sinnott, SR Phillpot, Phys. Rev. B 81 125328 2010)
-# Cu parameter set from (BD Devine, TR Shan, SB Sinnott, SR Phillpot, to be sub to Phys. Rev. B)
-# Hf parameter set from (TR Shan, BD Devine, SB Sinnott, SR Phillpot, Phys. Rev. B 81 125328 2010)
-# Ti parameter set from (TR Shan, SR Phillpot, SB Sinnott, in preparation)
-#
-# Multiple entries can be added to this file, LAMMPS reads the ones it needs
-# Only M-O are added in the potential table, using mixing rules to generate desired alloy (A-B) parameters
-# 8  entries for a desired A-B type: AAA, BBB, AAB, ABA, ABB, BAA, BBA, BBA
-# 27 entries for a system containing three elements A, B and C
-# These entries are in LAMMPS "metal" units
-#
-Hf Hf Hf 1 0 1 0 1.011011 0.046511 0.959614 0.959614 55.9421 55.9421 3.85 0.20 2.069563 2.069563 707.53 707.53 0 0 0.008 0 0 0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 0.26152 -0.25918 0 3.139520d0 0 0.009410d0 0 0.679131 -3.92875 -3.92875 4.83958 4.83958 12  0
-Ti Ti Ti 1 0 1 0 1.255016 0.089078 1.226342 1.226342 99.3916 99.3916 3.43 0.05 2.082408 2.082408 546.386 546.386 0 0 0.0084 0 0 0 1 1 1 1 -4 4 2.508854 -2.511416 -4 4 2.508854 -2.511416 0 2.46820415900968 0 0.151351003255176 0 0.873685 0.392632 0.392632 1.78349 1.78349 12  0
-O O O 1 6.6 1 -0.229 1 2 2.68 2.68 260.893 260.893 2.8 0.2 5.36 5.36 3326.69 3326.69 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -1.8349 5.5046 0.00148 -0.00112 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.922011 0.971086 0.971086 12  0
-Cu Cu Cu 1 0 1 0 1 0.140835 1.681711 1.681711 146.987 146.987 3.0 0.05 2.794608 2.794608 952.693 952.693 0.077 0.0095 0 0 0 0 1 1 1 1 -6 2 0.1677645 -0.161007 -6 2 0.1677645 -0.161007 0 5.946437 0 0 0 0.454784 0.72571 0.72571 0.274649 0.274649 12  0
-Si Si Si 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.7322 471.18 471.18 2.90 0.10 2.4799 2.4799 1830.8 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 1.651725 -1.658949 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -0.499378 2.999911 2.999911 12  0
-Zr Zr Zr 1 0 1 0 1 0 0.929 0.929 39.9454 39.9454 3.8 0.31 1.857 1.857 382.6 382.6 0 0 0 0 0 0 1 1 1 1 -4 4 1.64 -1.5 -4 4 1.64 -1.5 0 3.139520d0 0 0.009410d0 0 0.679131 -3.92875 -3.92875 4.83958 4.83958 12  0
-U U U 1 0 1 0 4.346966 0.77617 0.832 0.832 162.6 162.6 3.9 0.15 1.835 1.835 795.6 795.6 0 0 0 0 0 0 1 1 1 1 -4 4 2 -2 -4 4 2 -2 0 3.139520d0 0 0.009410d0 0 0.679131 -3.92875 -3.92875 4.83958 4.83958 12  0
-#                                               
-Si O O 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 2.68 471.18 260.893 2.80 0.25 2.4799 5.36 1830.8 3326.69 0 0 0 109.47 0.3122 0 1 1 1 1 -4 4 1.651725 -1.658949 -1.8349 5.5046 0.00148 -0.00112 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.922011 2.999911 0.971086 12 0
-O Si Si 1 6.6 1 -0.229 1 2 2.68 1.7322 260.893 471.18 2.80 0.25 5.36 2.4799 3326.69 1830.8 0 0 0 143.73 2.6 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 1.651725 -1.658949 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -0.499378 0.971086 2.999911 12 0
-Si O Si 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 2.68 471.18 260.893 2.80 0.25 2.4799 5.36 1830.8 3326.69 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -1.8349 5.5046 0.00148 -0.00112 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.922011 2.999911 0.971086 12 0
-O Si O 1 6.6 1 -0.229 1 2 2.68 1.7322 260.893 471.18 3.20 0.25 5.36 2.4799 3326.69 1830.8 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 1.651725 -1.658949 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -0.499378 0.971086 2.999911 12 0
-Si Si O 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.7322 471.18 471.18 2.80 0.25 2.4799 2.4799 1830.8 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 1.651725 -1.658949 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -0.499378 2.999911 2.999911 12 0
-O O Si 1 6.6 1 -0.229 1 2 2.68 2.68 260.893 260.893 2.80 0.25 5.36 5.36 3326.69 3326.69 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -1.8349 5.5046 0.00148 -0.00112 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.922011 0.971086 0.971086 12 0
-#
-Si Cu Cu 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.681711 471.18 146.987 3.05 0.15 2.4799 2.794608 1830.8 952.693 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -7 1 0.1677645 -0.161007 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 0.72571 2.999911 0.274649 12   0
-Cu Si Si 1 0 1 0 1 0.140835 1.681711 1.7322 146.987 471.18 3.05 0.15 2.794608 2.4799 952.693 1830.8 0 0 0 0 0 0 1 1 1 1 -7 1 0.1677645 -0.161007 -4 4 1.651725 -1.658949 0 5.946437 0 0 0 0.454784 0.72571 -0.499378 0.274649 2.999911 12   0
-Si Cu Si 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.681711 471.18 146.987 3.05 0.15 2.4799 2.794608 1830.8 952.693 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -7 1 0.1677645 -0.161007 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 0.72571 2.999911 0.274649 12   0
-Cu Si Cu 1 0 1 0 1 0.140835 1.681711 1.7322 146.987 471.18 3.05 0.15 2.794608 2.4799 952.693 1830.8 0 0 0 0 0 0 1 1 1 1 -7 1 0.1677645 -0.161007 -4 4 1.651725 -1.658949 0 5.946437 0 0 0 0.454784 0.72571 -0.499378 0.274649 2.999911 12   0
-Si Si Cu 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.7322 471.18 471.18 2.90 0.10 2.4799 2.4799 1830.8 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 1.651725 -1.658949 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -0.499378 2.999911 2.999911 12   0
-Cu Cu Si 1 0 1 0 1 0.140835 1.681711 1.681711 146.987 146.987 3.25 0.10 2.794608 2.794608 952.693 952.693 0 0 0 0 0 0 1 1 1 1 -7 1 0.1677645 -0.161007 -7 1 0.1677645 -0.161007 0 5.946437 0 0 0 0.454784 0.72571 0.72571 0.274649 0.274649 12   0
-#                                                
-Si O Cu 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 2.68 471.18 260.893 2.80 0.25 2.4799 5.36 1830.8 3326.69 0 0 0 0 0 0 1.276957 0.452693 1.032042 1.354486 -4 4 1.651725 -1.658949 -1.8349 5.5046 0.00148 -0.00112 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.922011 2.999911 0.971086 12   0
-Cu O Si 1 0 1 0 1 0.140835 1.681711 2.68 146.987 260.893 2.55 0.10 2.794608 5.36 952.693 3326.69 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -7 1 0.1677645 -0.161007 -1.8349 5.5046 0.00148 -0.00112 0 5.946437 0 0 0 0.454784 0.72571 -3.922011 0.274649 0.971086 12  0
-Si Cu O 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.681711 471.18 146.987 3.05 0.15 2.4799 2.794608 1830.8 952.693 0 0 0 0 0 0 1.276957 0.452693 1.032042 1.354486 -4 4 1.651725 -1.658949 -7 1 0.1677645 -0.161007 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 0.72571 2.999911 0.274649 12   0
-Cu Si O 1 0 1 0 1 0.140835 1.681711 1.7322 146.987 471.18 3.05 0.15 2.794608 2.4799 952.693 1830.8 0 0 0 0 0 0 1.0 1.0 1.0 1.0 -7 1 0.1677645 -0.161007 -4 4 1.651725 -1.658949 0 5.946437 0 0 0 0.454784 0.72571 -0.499378 0.274649 2.999911 12   0
-O Si Cu 1 6.6 1 -0.229 1 2 2.68 1.7322 260.893 471.18 2.80 0.25 5.36 2.4799 3326.69 1830.8 0 0 0 0 0 0  1.0 1.0 1.0 1.0 -1.8349 5.5046 0.00148 -0.00112 -4 4 1.651725 -1.658949 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -0.499378 0.971086 2.999911 12   0
-O Cu Si 1 6.6 1 -0.229 1 2 2.68 1.681711 260.893 146.987 2.55 0.10 5.36 2.794608 3326.69 952.693 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -1.8349 5.5046 0.00148 -0.00112 -7 1 0.1677645 -0.161007 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.72571 0.971086 0.274649 12  0
-#
-Cu O O 1 0 1 0 1 0.140835 1.681711 2.68 146.987 260.893 2.80 0.15 2.794608 5.36 952.693 3326.69 0 0 0 180.0 2.518789 0 0.100000 1.097775 0.584713 1.666072 -6 2 0.1677645 -0.161007 -1.8349 5.5046 0.00148 -0.00112 0 5.946437 0 0 0 0.454784 0.72571 -3.922011 0.274649 0.971086 12  0
-O Cu Cu 1 6.6 1 -0.229 1 2 2.68 1.681711 260.893 146.987 2.80 0.15 5.36 2.794608 3326.69 952.693 0 0 0 109.47 0.007858 0 0.100000 1.097775 0.584713 1.666072 -1.8349 5.5046 0.00148 -0.00112 -6 2 0.1677645 -0.161007 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.72571 0.971086 0.274649 12  0
-Cu O Cu 1 0 1 0 1 0.140835 1.681711 2.68 146.987 260.893 2.80 0.15 2.794608 5.36 952.693 3326.69 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -6 2 0.1677645 -0.161007 -1.8349 5.5046 0.00148 -0.00112 0 5.946437 0 0 0 0.454784 0.72571 -3.922011 0.274649 0.971086 12  0
-O Cu O 1 6.6 1 -0.229 1 2 2.68 1.681711 260.893 146.987 2.80 0.15 5.36 2.794608 3326.69 952.693 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -1.8349 5.5046 0.00148 -0.00112 -6 2 0.1677645 -0.161007 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.72571 0.971086 0.274649 12  0
-Cu Cu O 1 0 1 0 1 0.140835 1.681711 1.681711 146.987 146.987 3.30 0.15 2.794608 2.794608 952.693 952.693 0 0 0 0 0 0 1 1 1 1 -6 2 0.1677645 -0.161007 -6 2 0.1677645 -0.161007 0 5.946437 0 0 0 0.454784 0.72571 0.72571 0.274649 0.274649 12  0
-O O Cu 1 6.6 1 -0.229 1 2 2.68 2.68 260.893 260.893 2.80 0.20 5.36 5.36 3326.69 3326.69 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -1.8349 5.5046 0.00148 -0.00112 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.922011 0.971086 0.971086 12  0
-#
-Si Hf Hf 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 0.959614 471.18 55.9421 3.26 0.15 2.4799 2.069563 1830.8 707.53 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 0.26152 -0.25918 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.92875 2.999911 4.83958 12 0
-Hf Si Si 1 0 1 0 1.011011 0.046511 0.959614 1.7322 55.9421 471.18 3.26 0.15 2.069563 2.4799 707.53 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 1.651725 -1.658949 0 3.13952 0 0.00941 0 0.719131 -3.92875 -0.499378 4.83958 2.999911 12 0
-Si Hf Si 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 0.959614 471.18 55.9421 3.26 0.15 2.4799 2.069563 1830.8 707.53 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 0.26152 -0.25918 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.92875 2.999911 4.83958 12 0
-Hf Si Hf 1 0 1 0 1.011011 0.046511 0.959614 1.7322 55.9421 471.18 3.26 0.15 2.069563 2.4799 707.53 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 1.651725 -1.658949 0 3.13952 0 0.00941 0 0.719131 -3.92875 -0.499378 4.83958 2.999911 12 0
-Si Si Hf 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 1.7322 471.18 471.18 3.26 0.15 2.4799 2.4799 1830.8 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 1.651725 -1.658949 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -0.499378 2.999911 2.999911 12 0
-Hf Hf Si 1 0 1 0 1.011011 0.046511 0.959614 0.959614 55.9421 55.9421 3.26 0.15 2.069563 2.069563 707.53 707.53 0 0 0 0 0 0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 0.26152 -0.25918 0 3.13952 0 0.00941 0 0.719131 -3.92875 -3.92875 4.83958 4.83958 12 0
-#
-Si O Hf 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 2.68 471.18 260.893 3.196 0.21 2.4799 5.36 1830.8 3326.69 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -1.8349 5.5046 0.00148 -0.00112 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.922011 2.999911 0.971086 12 0
-Hf O Si 1 0 1 0 1.011011 0.046511 0.959614 2.68 55.9421 260.893 3.196 0.21 2.069563 5.36 707.53 3326.69 0 0 0 0 0 0.28 1 1 1 1 -4 4 0.26152 -0.25918 -1.8349 5.5046 0.00148 -0.00112 0 3.13952 0 0.00941 0 0.719131 -3.92875 -3.922011 4.83958 0.971086 12  0.32
-Si Hf O 3 100390 16.218 -0.59826 0.78734 1.0999E-06 1.7322 0.959614 471.18 55.9421 3.26 0.15 2.4799 2.069563 1830.8 707.53 0 0 0 0 0 0 1 1 1 1 -4 4 1.651725 -1.658949 -4 4 0.26152 -0.25918 0 3.625144859 0 0.087067714 0 0.772871 -0.499378 -3.92875 2.999911 4.83958 12 0
-Hf Si O 1 0 1 0 1.011011 0.046511 0.959614 1.7322 55.9421 471.18 3.26 0.15 2.069563 2.4799 707.53 1830.8 0 0 0 0 0 0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 1.651725 -1.658949 0 3.13952 0 0.00941 0 0.719131 -3.92875 -0.499378 4.83958 2.999911 12 0
-O Si Hf 1 6.6 1 -0.229 1 2 2.68 1.7322 260.893 471.18 3.196 0.21 5.36 2.4799 3326.69 1830.8 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 1.651725 -1.658949 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -0.499378 0.971086 2.999911 12 0
-O Hf Si 1 6.6 1 -0.229 1 2 2.68 0.959614 260.893 55.9421 3.196 0.21 5.36 2.069563 3326.69 707.53 0 0 0 0 0 0.28 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 0.26152 -0.25918 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.92875 0.971086 4.83958 12 0.30
-#
-Hf O O 1 0 1 0 1.011011 0.046511 0.959614 2.68 55.9421 260.893 3.30 0.075 2.069563 5.36 707.53 3326.69 0 0 0 0 0 0.28 1 1 1 1 -4 4 0.26152 -0.25918 -1.8349 5.5046 0.00148 -0.00112 0 3.13952 0 0.00941 0 0.679131 -3.92875 -3.922011 4.83958 0.971086 12  0.32
-O Hf Hf 1 6.6 1 -0.229 1 2 2.68 0.959614 260.893 55.9421 3.30 0.075 5.36 2.069563 3326.69 707.53 0 0 0 0 0 0.28 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 0.26152 -0.25918 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.92875 0.971086 4.83958 12  0.32
-Hf O Hf 1 0 1 0 1.011011 0.046511 0.959614 2.68 55.9421 260.893 3.30 0.075 2.069563 5.36 707.53 3326.69 0 0 0 0 0 0.28 1 1 1 1 -4 4 0.26152 -0.25918 -1.8349 5.5046 0.00148 -0.00112 0 3.13952 0 0.00941 0 0.679131 -3.92875 -3.922011 4.83958 0.971086 12  0.32
-O Hf O 1 6.6 1 -0.229 1 2 2.68 0.959614 260.893 55.9421 3.30 0.075 5.36 2.069563 3326.69 707.53 0 0 0 0 0 0.28 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -4 4 0.26152 -0.25918 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.92875 0.971086 4.83958 12  0.32
-Hf Hf O 1 0 1 0 1.011011 0.046511 0.959614 0.959614 55.9421 55.9421 3.30 0.075 2.069563 2.069563 707.53 707.53 0 0 0 0 0 0.0 1 1 1 1 -4 4 0.26152 -0.25918 -4 4 0.26152 -0.25918 0 3.13952 0 0.00941 0 0.679131 -3.92875 -3.92875 4.83958 4.83958 12  0.0
-O O Hf 1 6.6 1 -0.229 1 2 2.68 2.68 260.893 260.893 2.80 0.10 5.36 5.36 3326.69 3326.69 0 0 0 0 0 0.0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -1.8349 5.5046 0.00148 -0.00112 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.922011 0.971086 0.971086 12  0.0
-#
-Ti O O 1 0 1 0 1.255016 0.089078 1.226342 2.68 99.3916 260.893 3.25 0.10 2.082408 5.36 546.386 3326.69 0 0 0 90 0.403105 8.45  0.088406 0.969934 0.296577 1.326746 -4 4 2.508854 -2.511416 -1.8349 5.5046 0.00148 -0.00112 0 1.943430774 0 0.254695274 0 0.873685 0.392632 -3.922011 1.78349 0.971086 12  0
-O Ti Ti 1 6.6 1 -0.229 1 2 2.68 1.226342 260.893 99.3916 3.25 0.10 5.36 2.082408 3326.69 546.386 0 0 0 130.54 0.202777 8.45  0.088406 0.969934 0.296577 1.326746 -1.8349 5.5046 0.00148 -0.00112 -4 4 2.508854 -2.511416 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.392632 0.971086 1.78349 12  0
-Ti O Ti 1 0 1 0 1.255016 0.089078 1.226342 2.68 99.3916 260.893 3.25 0.10 2.082408 5.36 546.386 3326.69 0 0 0 0 0 8.45  0.088406 0.969934 0.296577 1.326746 -4 4 2.508854 -2.511416 -1.8349 5.5046 0.00148 -0.00112 0 1.943430774 0 0.254695274 0 0.873685 0.392632 -3.922011 1.78349 0.971086 12  0
-O Ti O 1 6.6 1 -0.229 1 2 2.68 1.226342 260.893 99.3916 3.25 0.10 5.36 2.082408 3326.69 546.386 0 0 0 0 0 8.45  0.088406 0.969934 0.296577 1.326746 -1.8349 5.5046 0.00148 -0.00112 -4 4 2.508854 -2.511416 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.392632 0.971086 1.78349 12  0
-Ti Ti O 1 0 1 0 1.255016 0.089078 1.226342 1.226342 99.3916 99.3916 3.43 0.05 2.082408 2.082408 546.386 546.386 0 0 0 0 0 0 1 1 1 1 -4 4 2.508854 -2.511416 -4 4 2.508854 -2.511416 0 1.943430774 0 0.254695274 0 0.873685 0.392632 0.392632 1.78349 1.78349 12  0
-O O Ti 1 6.6 1 -0.229 1 2 2.68 2.68 260.893 260.893 2.80 0.10 5.36 5.36 3326.69 3326.69 0 0 0 0 0 0 1 1 1 1 -1.8349 5.5046 0.00148 -0.00112 -1.8349 5.5046 0.00148 -0.00112 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 -3.922011 0.971086 0.971086 12  0
-#
-Ti Cu Cu 1 0 1 0 1.255016 0.089078 1.226342 1.681711 99.3916 146.987 4.45 0.10 2.082408 2.794608 546.386 952.693 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -4 4 2.508854 -2.511416 -7.2 0.8 0.1677645 -0.161007 0 1.943430774 0 0.254695274 0 0.873685 0.392632 0.72571 1.78349 0.274649 12 0
-Cu Ti Ti 1 0 1 0 1 0.140835 1.681711 1.226342 146.987 99.3916 4.45 0.10 2.794608 2.082408 952.693 546.386 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -7.2 0.8 0.1677645 -0.161007 -4 4 2.508854 -2.511416 0 5.946437 0 0 0 0.454784 0.72571 0.392632 0.274649 1.78349 12 0
-Ti Cu Ti 1 0 1 0 1.255016 0.089078 1.226342 1.681711 99.3916 146.987 4.45 0.10 2.082408 2.794608 546.386 952.693 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -4 4 2.508854 -2.511416 -7.2 0.8 0.1677645 -0.161007 0 1.943430774 0 0.254695274 0 0.873685 0.392632 0.72571 1.78349 0.274649 12 0
-Cu Ti Cu 1 0 1 0 1 0.140835 1.681711 1.226342 146.987 99.3916 4.45 0.10 2.794608 2.082408 952.693 546.386 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -7.2 0.8 0.1677645 -0.161007 -4 4 2.508854 -2.511416 0 5.946437 0 0 0 0.454784 0.72571 0.392632 0.274649 1.78349 12 0
-Ti Ti Cu 1 0 1 0 1.255016 0.089078 1.226342 1.226342 99.3916 99.3916 3.41 0.15 2.082408 2.082408 546.386 546.386 0 0 0 0 0 0 1 1 1 1 -4 4 2.508854 -2.511416 -4 4 2.508854 -2.511416 0 1.943430774 0 0.254695274 0 0.873685 0.392632 0.392632 1.78349 1.78349 12 0
-Cu Cu Ti 1 0 1 0 1 0.140835 1.681711 1.681711 146.987 146.987 3.25 0.10 2.794608 2.794608 952.693 952.693 0 0 0 0 0 0 1 1 1 1 -7.2 0.8 0.1677645 -0.161007 -7.2 0.8 0.1677645 -0.161007 0 5.946437 0 0 0 0.454784 0.72571 0.72571 0.274649 0.274649 12 0
-#                                                
-Ti O Cu 1 0 1 0 1.255016 0.089078 1.226342 2.68 99.3916 260.893 3.25 0.10 2.082408 5.36 546.386 3326.69 0 0 0 0 0 8.45 0.088406 0.969934 0.296577 1.326746 -4 4 2.508854 -2.511416 -1.8349 5.5046 0.00148 -0.00112 0 1.943430774 0 0.254695274 0 0.873685 0.392632 -3.922011 1.78349 0.971086 12 0
-Cu O Ti 1 0 1 0 1 0.140835 1.681711 2.68 146.987 260.893 2.55 0.10 2.794608 5.36 952.693 3326.69 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -7.2 0.8 0.1677645 -0.161007 -1.8349 5.5046 0.00148 -0.00112 0 5.946437 0 0 0 0.454784 0.72571 -3.922011 0.274649 0.971086 12  0
-Ti Cu O 1 0 1 0 1.255016 0.089078 1.226342 1.681711 99.3916 146.987 4.45 0.10 2.082408 2.794608 546.386 952.693 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -4 4 2.508854 -2.511416 -7.2 0.8 0.1677645 -0.161007 0 1.943430774 0 0.254695274 0 0.873685 0.392632 0.72571 1.78349 0.274649 12 0
-Cu Ti O 1 0 1 0 1 0.140835 1.681711 1.226342 146.987 99.3916 4.45 0.10 2.794608 2.082408 952.693 546.386 0 0 0 0 0 0 0.098179  1.662238  0.104821 10.000363 -7.2 0.8 0.1677645 -0.161007 -4 4 2.508854 -2.511416 0 5.946437 0 0 0 0.454784 0.72571 0.392632 0.274649 1.78349 12 0
-O Ti Cu 1 6.6 1 -0.229 1 2 2.68 1.226342 260.893 99.3916 3.25 0.10 5.36 2.082408 3326.69 546.386 0 0 0 0 0 0.00 0.088406 0.969934 0.296577 1.326746 -1.8349 5.5046 0.00148 -0.00112 -4 4 2.508854 -2.511416 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.392632 0.971086 1.78349 12 0
-O Cu Ti 1 6.6 1 -0.229 1 2 2.68 1.681711 260.893 146.987 2.55 0.10 5.36 2.794608 3326.69 952.693 0 0 0 0 0 0 0.100000 1.097775 0.584713 1.666072 -1.8349 5.5046 0.00148 -0.00112 -7.2 0.8 0.1677645 -0.161007 5.63441383 7.689598017 4.51426991 1.330079082 0 2.243072 -3.922011 0.72571 0.971086 0.274649 12  0
diff --git a/examples/comb/ffield.comb b/examples/comb/ffield.comb
new file mode 120000
index 0000000000..09ef443f91
--- /dev/null
+++ b/examples/comb/ffield.comb
@@ -0,0 +1 @@
+../../potentials/ffield.comb
\ No newline at end of file
diff --git a/examples/comb/ffield.comb3 b/examples/comb/ffield.comb3
deleted file mode 100644
index 3c69fe9a2b..0000000000
--- a/examples/comb/ffield.comb3
+++ /dev/null
@@ -1,523 +0,0 @@
- # DATE: 2014-02-01 DATE: 2013-11-04 CONTRIBUTOR: Tzu-Ray Shan, tnshan@sandia.gov CITATION: Liang, Shan, Cheng, Devine, Noordhoek, Li, Lu, Phillpot and  Sinnott, Mater Sci Eng Rep, 74, 255-279 (2013)
- #   ffield.comb3 file for LAMMPS/COMB3, converted from COMB3 code parameters O  Cu N  C  H  Ti Zn Zr
- #   Converted on:  2014-01-30
- #   
- #  Please cite the following publication for the use of LAMMPS-COMB3. 
- #  Tao Liang, Tzu-Ray Shan, Yu-Ting Cheng, Bryce D. Devine, Mark Noordhoek, Yangzhong Li, Zhize Lu, Simon R. Phillpot,and  Susan B. Sinnott, "Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials", Materials Science and Engineering: Reports, 74 (2013) 255-279. 
- #  List of Changes since 2013-Sep:
- # 1) CH4 has been changed.
- # 2) Include ZrO2 force fields
- # 3) Change correction terms from Legendre   polynomials and bond bending to 6th order polynomials.
- #   
-O  O  O   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  Cu  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  N   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  C   3  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  H   3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  Ti  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  Zn  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  O  Zr  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1966411E+01  0.2521788E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3258854E+01  0.6881635E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5295119E+01  0.4956339E+04  0.3258854E+01  0.2600000E+01  0.2000000E+00  0.1417783E+02  0.1600164E+02  0.1257097E+01 -0.5652039E+01 -0.2046884E+00  0.1826597E+01  0.8565567E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.1823933E+00  0.9323800E-02 -0.1534590E-01  0.1691170E-01 -0.1317600E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Cu Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2435700E+00  0.8576372E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2253174E+01  0.2450000E+01  0.1500000E+00  0.2251128E-02  0.1783032E-02  0.1816425E-01  0.3013329E-02  0.2789347E-02  0.4218284E-02  0.7035424E-03  0.3486652E-01 -0.1232266E-01  0.1965112E-01 -0.2119645E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  O   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  Cu  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  N   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.1575000E-03  0.3750000E-04 -0.4190000E-03 -0.5357000E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  C   3  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  H   3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  Ti  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  Zn  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  N  Zr  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.1608740E-02  0.1000000E-02  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.2889513E+01  0.2250000E+01  0.1500000E+00  0.9974699E+01  0.2683124E+02  0.5129581E+01 -0.1687901E+02  0.1929454E+01  0.2064311E+00  0.2644439E+00 -0.2525391E-03 -0.3838929E-03 -0.8530755E-04 -0.2072918E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  C  O   3  1  3  0  1  1  0  0  1  0.0000000E+00  0.3950000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.8969574E-01  0.1694354E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.4729859E-02  0.1750000E+01  0.1500000E+00  0.9882114E-01  0.1756465E-01 -0.2570172E-01 -0.1543155E+01 -0.9607860E-03 -0.7667515E+00  0.2371642E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  C  Cu  3  1  2  0  1  1  0  0  1  0.0000000E+00  0.3950000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.8969574E-01  0.1694354E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.4729859E-02  0.1750000E+01  0.1500000E+00  0.9882114E-01  0.1756465E-01 -0.2570172E-01 -0.1543155E+01 -0.9607860E-03 -0.7667515E+00  0.2371642E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1401642E+01 -0.2773900E-01 -0.3006750E+00  0.3683200E-02 -0.1136480E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  C  N   3  1  3  0  1  1  0  0  1  0.0000000E+00  0.3950000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.8969574E-01  0.1694354E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.4729859E-02  0.1750000E+01  0.1500000E+00  0.9882114E-01  0.1756465E-01 -0.2570172E-01 -0.1543155E+01 -0.9607860E-03 -0.7667515E+00  0.2371642E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  C  C   3  1  1  0  1  1  0  0  1  0.0000000E+00  0.3950000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.8969574E-01  0.1694354E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.4729859E-02  0.1750000E+01  0.1500000E+00  0.9882114E-01  0.1756465E-01 -0.2570172E-01 -0.1543155E+01 -0.9607860E-03 -0.7667515E+00  0.2371642E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-O  H  Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2198296E+01  0.4749058E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2043225E+01  0.9434805E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3043947E+01  0.1634356E+03  0.2043225E+01  0.1650000E+01  0.1500000E+00  0.1491702E+01  0.4463727E+01  0.5355258E+01  0.2997975E+01  0.1203065E+01  0.2486002E+00  0.2085342E-01 -0.4874351E-01  0.6218981E-01  0.2217044E-01  0.6755488E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Ti Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.2557314E+01  0.3000000E+01  0.2000000E+00  0.1507608E+00  0.1577119E+00 -0.1090460E-01  0.9747670E-01  0.6867960E-01 -0.1901485E+00  0.1307987E+00 -0.2052220E-01 -0.2807440E-01  0.6452240E-01 -0.2657330E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zn Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01  0.2381800E+00  0.3970778E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1072713E+01  0.2800000E+01  0.2000001E+00 -0.3040657E-01  0.2652378E+00 -0.1582586E+00 -0.4621471E+00  0.9702852E+00  0.8742132E+00  0.5556172E+00  0.1379238E-01  0.1333006E+00  0.1067606E+00  0.1178399E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-O  Zr Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.4956339E+04  0.6881635E+03  0.5295119E+01  0.3258854E+01  0.1000000E+01 -0.2000000E+01  0.6000000E+01  0.7664409E-02 -0.1213951E+01 -0.2000000E+01  0.6000000E+01  0.6599630E+01  0.5955097E+01  0.7604334E+00  0.9388015E-02  0.1371794E+01 -0.3053592E+01  0.4378990E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3056900E+00 -0.1539170E+01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.4694136E+01  0.2900000E+01  0.1999999E+00  0.2725394E+02  0.2296021E+02  0.1245935E+02 -0.1753586E+02  0.5192187E+01 -0.1653414E+01  0.1298779E+01  0.1225438E+00 -0.4639774E+01 -0.2839011E+00  0.4639774E+01 -0.2061724E+00  0.6113230E-01  0.2061476E+01  0.3501339E+00 -0.3704719E+01 -0.6328295E+00  0.1819703E+01  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02 -0.1261294E+01  0.1861535E+00 -0.1392390E-01 -0.9679700E-02  0.5166700E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu O  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01 -0.2288704E+00  0.5307763E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2092751E+01  0.9347170E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2353223E+01  0.1336466E+04  0.2229919E+01  0.2450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00 -0.1082528E-01  0.9698014E-02 -0.4508018E-01  0.2173814E-01  0.1557732E+00 -0.9365586E-02  0.1494216E+00 -0.9015916E-02 -0.9550571E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu O   2  2  3  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu Cu  2  2  2  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4356100E-01  0.0000000E+00  0.4919500E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu N   2  2  3  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu C   2  2  1  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu H   2  2  2  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu Ti  2  2  2  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu Zn  2  2  2  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Cu Zr  2  2  2  0  0  0  0  4  1  0.1000000E-01  0.3450000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1467089E+01  0.1028261E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2712035E+01  0.7123527E+03  0.1467089E+01  0.3350000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu N  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  O   2  1  3  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02 -0.1098346E+00  0.4752372E+00 -0.8442600E-02  0.8754500E-02  0.3760100E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  Cu  2  1  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  N   2  1  3  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  C   2  1  1  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  H   2  1  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  Ti  2  1  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  Zn  2  1  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu C  Zr  2  1  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3345035E-02  0.1000000E-01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.3178819E+00  0.2650000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.9062441E+00 -0.9880102E-03  0.5560993E-02 -0.8710045E-01 -0.7891008E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  O   2  2  3  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  Cu  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  N   2  2  3  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  C   2  2  1  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  H   2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  Ti  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  Zn  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu H  Zr  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3034638E+00  0.1016911E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.8454920E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Ti Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zn Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2474687E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Cu Zr Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7123527E+03  0.1028261E+03  0.2712035E+01  0.1467089E+01  0.1000000E+01 -0.2000000E+01  0.2000000E+01  0.3490214E+00 -0.1339472E+00 -0.2000000E+01  0.2000000E+01  0.3652316E+01  0.3213926E+01  0.7478102E+00  0.1172919E+00  0.1397263E+01  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3051574E+00  0.4677531E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2310550E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  O   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  Cu  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  N   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  C   3  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  H   3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  Ti  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  Zn  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  O  Zr  3  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.2068698E+00  0.2696627E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4703396E+01  0.3251258E+03  0.4798425E+01  0.3778823E+03  0.2951760E+01  0.3111556E+03  0.6118996E+01  0.7859391E+04  0.4700678E+00  0.2250000E+01  0.1500000E+00  0.4957188E-03 -0.2765761E-03  0.1006819E+01  0.9564232E+00  0.2767543E+00  0.3123805E+00  0.2343152E+00  0.4471950E-04  0.6936042E-03 -0.1032065E-03  0.4032635E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Cu Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2602819E+01  0.4649418E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3965036E+01  0.2335175E+04  0.2602819E+01  0.2683537E+01  0.1537150E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  N  O   3  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3738549E+01  0.2102296E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.5218037E+01  0.7654973E+04  0.3738549E+01  0.2150000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-N  C  Zn  3  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2942366E+01  0.1068239E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3956221E+01  0.2620968E+04  0.2942366E+01  0.1994335E+01  0.1504261E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  C  Zr  3  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2942366E+01  0.1068239E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3956221E+01  0.2620968E+04  0.2942366E+01  0.1994335E+01  0.1504261E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  H  Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1242126E+01  0.9436434E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5143069E+00  0.1950000E+01  0.1500000E+00  0.1508833E+00 -0.3508835E+00  0.1879419E+01 -0.6135678E-01  0.1018086E-01  0.1773759E+00  0.3381936E-01 -0.8757369E-03  0.4295447E-03 -0.4655969E-03 -0.6389393E-03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Ti Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.5066036E+01  0.2800000E+01  0.2000000E+00  0.0000000E+00  0.2300000E-04  0.1728730E-01  0.4126639E+00  0.2633349E+00 -0.1032680E+00  0.2487740E-01 -0.5651670E-01 -0.3633110E-01  0.7137000E-02  0.6461960E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zn Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr O   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr Cu  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr N   3  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr C   3  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr H   3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr Ti  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr Zn  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-N  Zr Zr  3  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.7654973E+04  0.2102296E+04  0.5218037E+01  0.3738549E+01  0.1000000E+01 -0.3000000E+01  0.5000000E+01  0.1969380E+00 -0.6887839E+00 -0.3000000E+01  0.5000000E+01  0.6209731E+01  0.9292255E+01 -0.1254466E+01  0.2863502E+00  0.1438711E+01  0.1048322E+01  0.3911805E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.5167863E+00 -0.5521364E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.0000000E+00  0.0000000E+00  0.8126646E+00  0.1724015E+01  0.6985961E+00  0.2838323E+00  0.1691325E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  O   1  3  3  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  Cu  1  3  2  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1927749E+01  0.4492100E-02  0.7269000E-03 -0.1982700E-02  0.3811860E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  N   1  3  3  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  C   1  3  1  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  H   1  3  2  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  Ti  1  3  2  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  Zn  1  3  2  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  O  Zr  1  3  2  0  2  2  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.2210059E+00  0.1105030E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.5384622E+00  0.1027172E+02  0.6728805E+00  0.5247337E+01  0.7520943E+00  0.8011457E+01  0.7713576E+01  0.4546971E+04  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.2502470E+01  0.6121492E-02  0.4192692E-01 -0.2181554E-02  0.6907540E+01  0.5222031E+01  0.2132357E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu O   1  2  3  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01 -0.4855090E+00  0.3652260E-01 -0.9130700E-02 -0.1658200E-02  0.2825080E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu Cu  1  2  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu N   1  2  3  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu C   1  2  1  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu H   1  2  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu Ti  1  2  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu Zn  1  2  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Cu Zr  1  2  2  0  0  0  0  2  1  0.1128090E-01  0.3425000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01 -0.1166463E+00  0.5832316E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3178819E+00  0.6046844E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4030754E+01  0.7480554E+03  0.0000000E+00  0.2650000E+01  0.1500000E+00 -0.2404352E+00 -0.2745729E+00  0.3905948E+00  0.5023326E+00  0.1194375E+00  0.1717656E+00  0.1214693E+00 -0.1153438E-02 -0.1318113E-02 -0.1081672E-02  0.7362141E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  N  O   1  3  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2942366E+01  0.1068239E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3956221E+01  0.2620968E+04  0.0000000E+00  0.1994335E+01  0.1504261E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  N  Cu  1  3  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2942366E+01  0.1068239E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3956221E+01  0.2620968E+04  0.0000000E+00  0.1994335E+01  0.1504261E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-C  C  Cu  1  1  2  1  3  3  1  1  1  0.1272586E-01  0.3400000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4794940E+01  0.1321954E+05  0.1496616E+01  0.3181490E+02  0.1508583E+01  0.2818426E+02  0.4965431E+01  0.1705446E+05  0.0000000E+00  0.1850000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  C  N   1  1  3  1  3  3  1  1  1  0.1272586E-01  0.3400000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4794940E+01  0.1321954E+05  0.1496616E+01  0.3181490E+02  0.1508583E+01  0.2818426E+02  0.4965431E+01  0.1705446E+05  0.0000000E+00  0.1850000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-C  C  Ti  1  1  2  1  3  3  1  1  1  0.1272586E-01  0.3400000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4794940E+01  0.1321954E+05  0.1496616E+01  0.3181490E+02  0.1508583E+01  0.2818426E+02  0.4965431E+01  0.1705446E+05  0.0000000E+00  0.1850000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  C  Zn  1  1  2  1  3  3  1  1  1  0.1272586E-01  0.3400000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4794940E+01  0.1321954E+05  0.1496616E+01  0.3181490E+02  0.1508583E+01  0.2818426E+02  0.4965431E+01  0.1705446E+05  0.0000000E+00  0.1850000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  C  Zr  1  1  2  1  3  3  1  1  1  0.1272586E-01  0.3400000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4794940E+01  0.1321954E+05  0.1496616E+01  0.3181490E+02  0.1508583E+01  0.2818426E+02  0.4965431E+01  0.1705446E+05  0.0000000E+00  0.1850000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  O   1  2  3  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  Cu  1  2  2  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  N   1  2  3  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  C   1  2  1  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  H   1  2  2  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  Ti  1  2  2  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  Zn  1  2  2  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  H  Zr  1  2  2  2  4  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.1232245E+01  0.9390230E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.0000000E+00  0.1750000E+01  0.1500000E+00 -0.1555865E+00 -0.1104684E-01  0.2070231E+00 -0.2066751E-01  0.1739971E+00  0.4435496E+00 -0.4620521E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti O   1  2  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti Cu  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti N   1  2  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti C   1  2  1  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti H   1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti Ti  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti Zn  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Ti Zr  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.0000000E+00  0.2719221E+01  0.1443428E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn O   1  2  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn Cu  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn N   1  2  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn C   1  2  1  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn H   1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn Ti  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn Zn  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zn Zr  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.0000000E+00  0.2543722E+01  0.1395593E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zr O   1  2  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1840783E+01  0.6151236E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2570545E+01  0.1860857E+04  0.0000000E+00  0.2790000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-C  Zr H   1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1840783E+01  0.6151236E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2570545E+01  0.1860857E+04  0.0000000E+00  0.2790000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zr Ti  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1840783E+01  0.6151236E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2570545E+01  0.1860857E+04  0.0000000E+00  0.2790000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-C  Zr Zn  1  2  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.8973872E+03  0.5428043E+03  0.2694404E+01  0.2146183E+01  0.1000000E+01 -0.4000000E+01  0.4000000E+01  0.3059601E+00 -0.1186725E+00 -0.4000000E+01  0.4000000E+01  0.5372531E+01  0.5914404E+01  0.3946687E+00  0.3059477E-01  0.1112389E+01  0.8166928E+00  0.2681866E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.8065243E+00  0.2346083E-01  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1840783E+01  0.6151236E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2570545E+01  0.1860857E+04  0.0000000E+00  0.2790000E+01  0.1500000E+00  0.4672280E+00  0.8021770E+00 -0.1693873E+00 -0.7132275E+00 -0.8606539E-01  0.3610864E+00  0.2482604E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-H  O  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2043225E+01  0.9434805E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3043947E+01  0.1634356E+03  0.2043225E+01  0.1650000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  O  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2043225E+01  0.9434805E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3043947E+01  0.1634356E+03  0.2043225E+01  0.1650000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  O  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2043225E+01  0.9434805E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3043947E+01  0.1634356E+03  0.2043225E+01  0.1650000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  O  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2043225E+01  0.9434805E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3043947E+01  0.1634356E+03  0.2043225E+01  0.1650000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu O   2  2  3  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu Cu  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu N   2  2  3  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu C   2  2  1  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu H   2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu Ti  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu Zn  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Cu Zr  2  2  2  0  0  0  0  2  1  0.7190967E-02  0.3130000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.9027938E+00  0.1628007E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3444484E+01  0.2208881E+03  0.9027938E+00  0.2150000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  N  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1077726E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5436308E+00  0.1950000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  N  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1077726E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5436308E+00  0.1950000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  N  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1077726E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1134424E+01  0.3847649E+01  0.1026156E+01  0.4294827E+01  0.9793743E+00  0.3877552E+01  0.7588333E+01  0.1407592E+04  0.5436308E+00  0.1950000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-H  C  Zn  2  1  2  0  0  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.3251163E+00  0.1750000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  C  Zr  2  1  2  0  0  0  0  1  1  0.8112054E-02  0.3105000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.4187692E+00  0.5977828E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.6260171E+01  0.2731344E+03  0.3251163E+00  0.1750000E+01  0.1500000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  O   2  2  3  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  Cu  2  2  2  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  N   2  2  3  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  C   2  2  1  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2172531E+00 -0.4345062E+00  0.2172531E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  H   2  2  2  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  Ti  2  2  2  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  Zn  2  2  2  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  H  Zr  2  2  2  0  0  0  0  1  1  0.5171000E-02  0.2810000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1948353E+01  0.3572707E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.4216932E+01  0.8906987E+02  0.1948353E+01  0.1300000E+01  0.2000000E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Ti Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zn Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01 -0.1000000E-02  0.1000000E-02  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00 -0.6979045E+00 -0.2515194E+00  0.1477481E+01  0.2298515E+00 -0.9541016E+00  0.3823360E+00  0.6759455E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zr O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01  0.1005881E+01  0.9799900E-01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.4498000E-03  0.2800000E+01  0.2000001E+00  0.4379410E+00  0.9582117E+00  0.1036535E+00 -0.7001700E+00  0.2999763E+00  0.1651448E+00  0.1011453E+00 -0.1624493E+00  0.4351683E+01 -0.2971600E-02 -0.4351683E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-H  Zr Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.8906987E+02  0.3572707E+02  0.4216932E+01  0.1948353E+01  0.1000000E+01 -0.5366516E+00  0.1000000E+01  0.5000000E-02 -0.5000000E-02 -0.5000000E+00  0.5000000E+00  0.5359305E+01  0.8240603E+01  0.0000000E+00  0.0000000E+00  0.2000000E+01  0.1005881E+01  0.9799900E-01  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01  0.1000000E+01  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.4498000E-03  0.2800000E+01  0.2000001E+00  0.4379410E+00  0.9582117E+00  0.1036535E+00 -0.7001700E+00  0.2999763E+00  0.1651448E+00  0.1011453E+00 -0.1624493E+00  0.4351683E+01 -0.2971600E-02 -0.4351683E+01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-Ti O  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.7912737E+00  0.3000000E+01  0.2000000E+00  0.4997810E-01  0.1546093E+00  0.4452330E-01  0.1693955E+00  0.1796268E+00 -0.2398841E+00  0.1848422E+00 -0.3457300E-02 -0.2265040E-01  0.1666560E-01 -0.3002200E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti O  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.7912737E+00  0.3000000E+01  0.2000000E+00  0.4997810E-01  0.1546093E+00  0.4452330E-01  0.1693955E+00  0.1796268E+00 -0.2398841E+00  0.1848422E+00 -0.3457300E-02 -0.2265040E-01  0.1666560E-01 -0.3002200E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-Ti O  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.7912737E+00  0.3000000E+01  0.2000000E+00  0.4997810E-01  0.1546093E+00  0.4452330E-01  0.1693955E+00  0.1796268E+00 -0.2398841E+00  0.1848422E+00 -0.3457300E-02 -0.2265040E-01  0.1666560E-01 -0.3002200E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti O  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.7912737E+00  0.3000000E+01  0.2000000E+00  0.4997810E-01  0.1546093E+00  0.4452330E-01  0.1693955E+00  0.1796268E+00 -0.2398841E+00  0.1848422E+00 -0.3457300E-02 -0.2265040E-01  0.1666560E-01 -0.3002200E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti O  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2129506E+01  0.2125257E+03  0.2142030E+01  0.1834730E+03  0.2030774E+01  0.1819432E+03  0.2868830E+01  0.1556206E+04  0.7912737E+00  0.3000000E+01  0.2000000E+00  0.4997810E-01  0.1546093E+00  0.4452330E-01  0.1693955E+00  0.1796268E+00 -0.2398841E+00  0.1848422E+00 -0.3457300E-02 -0.2265040E-01  0.1666560E-01 -0.3002200E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Cu Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1322960E+01  0.1097041E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2424023E+01  0.6066238E+03  0.1322960E+01  0.3660422E+01  0.1277175E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti N  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.2453223E+01  0.1048055E+03  0.1766886E+01  0.1359923E+03  0.2439896E+01  0.3011201E+02  0.3178150E+01  0.1661766E+04  0.2297286E+01  0.2800000E+01  0.2000000E+00  0.2600000E-05  0.2240000E-04 -0.1131598E+00  0.3359560E-01  0.2616125E+00  0.2691128E+00  0.2251859E+00 -0.3203870E-01 -0.8235410E-01  0.2447850E-01 -0.7318660E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  O   2  1  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  Cu  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  N   2  1  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  C   2  1  1  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  H   2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  Ti  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  Zn  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti C  Zr  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1662507E+01  0.2520535E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2415207E+01  0.6808662E+03  0.1662507E+01  0.2719221E+01  0.1443428E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti H  Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1563592E+01  0.6466508E+02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3176471E+01  0.2145049E+03  0.1563592E+01  0.2275575E+01  0.2043439E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.4356100E-01  0.0000000E+00  0.4919500E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Ti Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1178831E+01  0.1170421E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2136010E+01  0.5165873E+03  0.1178831E+01  0.4000000E+01  0.1000000E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zn Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Ti Zr Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5165873E+03  0.1170421E+03  0.2136010E+01  0.1178831E+01  0.5660482E+00 -0.4000000E+01  0.4000000E+01  0.5000000E-02 -0.5000020E-01 -0.4000000E+01  0.4000000E+01  0.3095768E+01  0.4230280E+01 -0.1039759E+01  0.3574280E+00  0.7243519E+00  0.3656345E+00  0.7648498E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.3350000E+00  0.3022933E+01  0.0000000E+00  0.3000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5504001E-01 -0.6554936E-01 -0.1304334E+00  0.9305440E-01  0.2266737E+00  0.1466059E+00  0.7718281E-01 -0.1231823E-01  0.1750793E+00  0.6608536E-01 -0.7610935E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn O  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.2592011E+01  0.1898343E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1986354E+01  0.4237569E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2842371E+01  0.1369285E+04  0.1549384E+01  0.2800000E+01  0.2000001E+00  0.2288437E-01 -0.9920014E-02  0.1147701E-01 -0.1995657E-01  0.3955190E-01 -0.1381147E-01  0.4348548E-01 -0.1052353E-01  0.1368662E-01  0.1795660E-01  0.1337706E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Cu Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3090363E+00  0.9266199E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1900813E+01  0.4166952E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774643E+01  0.1318299E+04  0.1900813E+01  0.3450000E+01  0.1500000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2275729E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  Ti  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  Zn  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn N  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.3051554E+01  0.1839526E+04  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3928305E+01  0.4525937E+04  0.3051554E+01  0.2742590E+01  0.1349090E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  O   2  1  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  Cu  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  N   2  1  3  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  C   2  1  1  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  H   2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  Ti  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  Zn  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn C  Zr  2  1  2  0  0  0  0  0  1  0.0000000E+00  0.3950000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2370800E+01  0.6135085E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3034762E+01  0.1858657E+04  0.2370800E+01  0.2543722E+01  0.1395593E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn H  Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2728951E+01  0.1190255E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3725902E+01  0.5775554E+03  0.2728951E+01  0.2450000E+01  0.1500001E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Ti Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1771695E+01  0.4340405E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2387291E+01  0.1175732E+04  0.1771695E+01  0.3741651E+01  0.1002231E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02 -0.6320000E-04  0.0000000E+00  0.1327400E-02  0.0000000E+00 -0.3982300E-02  0.0000000E+00  0.2920300E-02  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zn Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2352653E+01  0.4948113E+03  0.2330411E+01  0.5107761E+03  0.2288269E+01  0.5300215E+03  0.2626286E+01  0.2842165E+04  0.2364559E+01  0.3500000E+01  0.9999990E-01  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774000E-02  0.2783000E-02  0.1013400E-02 -0.2212800E-02  0.1191400E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-Zn Zr Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zn Zr Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.2675921E+04  0.1609601E+04  0.2638572E+01  0.2364559E+01  0.6267391E+00 -0.4000000E+01  0.4000000E+01  0.5296103E+00 -0.5004044E+00 -0.4000000E+01  0.4000000E+01  0.3389925E+01  0.8162758E+01 -0.3381140E+01  0.9216813E+00  0.6734390E+00  0.3398138E+00  0.6702070E+00  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2221666E+00  0.6200000E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2774033E-02  0.2783002E-02  0.1013396E-02 -0.2212792E-02  0.1191381E-02  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr O  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.2106498E+01  0.4591872E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.2460319E+01  0.2900000E+01  0.1999999E+00  0.5639262E+00  0.9034689E+00 -0.6173013E+00 -0.1188079E+01  0.7078418E+00  0.2547006E+00  0.1393767E+00 -0.2532790E-01  0.5551324E+00 -0.2268834E+01 -0.5551324E+00  0.1739881E+00  0.6254329E+00 -0.1630934E+00 -0.3571056E+01 -0.5984732E+00  0.3540135E+01  0.4969000E-03  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr O  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.2106498E+01  0.4591872E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.2460319E+01  0.2900000E+01  0.1999999E+00  0.5639262E+00  0.9034689E+00 -0.6173013E+00 -0.1188079E+01  0.7078418E+00  0.2547006E+00  0.1393767E+00 -0.2532790E-01  0.5551324E+00 -0.2268834E+01 -0.5551324E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr O  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.2106498E+01  0.4591872E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.2460319E+01  0.2900000E+01  0.1999999E+00  0.5639262E+00  0.9034689E+00 -0.6173013E+00 -0.1188079E+01  0.7078418E+00  0.2547006E+00  0.1393767E+00 -0.2532790E-01  0.5551324E+00 -0.2268834E+01 -0.5551324E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr O  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.2106498E+01  0.4591872E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.2460319E+01  0.2900000E+01  0.1999999E+00  0.5639262E+00  0.9034689E+00 -0.6173013E+00 -0.1188079E+01  0.7078418E+00  0.2547006E+00  0.1393767E+00 -0.2532790E-01  0.5551324E+00 -0.2268834E+01 -0.5551324E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-Zr O  Zr  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.2106498E+01  0.4591872E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1347245E+01  0.1273479E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3598641E+01  0.4490868E+04  0.2460319E+01  0.2900000E+01  0.1999999E+00  0.5639262E+00  0.9034689E+00 -0.6173013E+00 -0.1188079E+01  0.7078418E+00  0.2547006E+00  0.1393767E+00 -0.2532790E-01  0.5551324E+00 -0.2268834E+01 -0.5551324E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Cu Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3975000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1264685E+01  0.1080820E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2266721E+01  0.5995921E+03  0.1769288E+01  0.3577135E+01  0.1269172E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr N  O   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr N  Cu  2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr N  N   2  3  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr N  C   2  3  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr N  H   2  3  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.2400415E+01  0.4887068E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.3519722E+01  0.1965532E+04  0.2905018E+01  0.2865151E+01  0.1375146E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
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-Zr H  Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.4712600E-02  0.2093370E-01 -0.7103100E-02 -0.3243851E+00 -0.2322519E+00  0.4052940E+00  0.3087387E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr H  Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.3655000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01  0.2037481E+00  0.3441370E+00  0.2500000E+00  0.2500000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1510666E+01  0.1549729E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2029568E+01  0.2697819E+03  0.3073955E+01  0.2800000E+01  0.2000001E+00  0.3429514E+00  0.6663283E+00  0.1049756E+00 -0.4112560E+00  0.6595730E-01  0.2261460E+00  0.2079405E+00 -0.2629300E-02  0.3765639E+00 -0.4999754E+01 -0.3765639E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Ti Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1120556E+01  0.1153115E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1978709E+01  0.5105993E+03  0.1625159E+01  0.3908963E+01  0.1000265E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zn Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1713420E+01  0.4276226E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.2229990E+01  0.1162104E+04  0.2218023E+01  0.3656498E+01  0.1000958E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr O   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr Cu  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr N   2  2  3  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr C   2  2  1  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr H   2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr Ti  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr Zn  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
-Zr Zr Zr  2  2  2  0  0  0  0  0  1  0.0000000E+00  0.4500000E+01  0.5046808E+03  0.1136065E+03  0.1821408E+01  0.1062282E+01  0.1000000E+01 -0.2000000E+01  0.4000000E+01  0.1999880E+01 -0.1040199E+00 -0.2000000E+01  0.4000000E+01  0.3302770E+01  0.2957410E+01  0.1331500E+00  0.3161000E-01  0.1831535E+01 -0.1791861E+01  0.1228965E+01  0.5000000E+00  0.5000000E+00  0.1100000E+02  0.2000000E+00  0.3871027E+00  0.0000000E+00  0.1000000E+01  0.5000000E+00  0.1062282E+01  0.1136065E+03  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1821408E+01  0.5046808E+03  0.2071488E+01  0.3820000E+01  0.1000000E+00  0.5764650E+00  0.6403220E+00  0.4243000E-02  0.5968300E-01  0.4370760E+00  0.5652700E-01  0.7202000E-02 -0.5879890E-02  0.1010734E+01 -0.6194480E-02 -0.9101515E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.0000000E+00  0.1000000E+01  0.0000000E+00  0.1000000E+01
diff --git a/examples/comb/ffield.comb3 b/examples/comb/ffield.comb3
new file mode 120000
index 0000000000..5adce311f5
--- /dev/null
+++ b/examples/comb/ffield.comb3
@@ -0,0 +1 @@
+../../potentials/ffield.comb3
\ No newline at end of file
diff --git a/examples/comb/log.5Oct16.comb.Cu.g++.1 b/examples/comb/log.27Nov18.comb.Cu.g++.1
similarity index 80%
rename from examples/comb/log.5Oct16.comb.Cu.g++.1
rename to examples/comb/log.27Nov18.comb.Cu.g++.1
index 0c419fa142..d5a334a1b5 100644
--- a/examples/comb/log.5Oct16.comb.Cu.g++.1
+++ b/examples/comb/log.27Nov18.comb.Cu.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Cu crystal, structure created by LAMMPS, qeq off
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (14.46 14.46 14.46)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 256 atoms
+  Time spent = 0.000869274 secs
 mass		1 63.54
 
 pair_style	comb
@@ -42,13 +44,18 @@ thermo	  	1
 
 run  		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 1 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 3 3 3
-Memory usage per processor = 6.4805 Mbytes
+  binsize = 6.25, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.469 | 7.469 | 7.469 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
        0         10.1   -3.5063151   -3.5076155   -3.5076155            0    27.496055    3023.4645        14.46        14.46        14.46            0 
        1    10.099643   -3.5063151   -3.5076155   -3.5076155            0    27.512983    3023.4645        14.46        14.46        14.46            0 
@@ -61,20 +68,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz
        8    10.077179   -3.5063151   -3.5076126   -3.5076126            0    28.578403    3023.4645        14.46        14.46        14.46            0 
        9    10.071123   -3.5063151   -3.5076118   -3.5076118            0    28.865545    3023.4645        14.46        14.46        14.46            0 
       10     10.06436   -3.5063151   -3.5076109   -3.5076109            0    29.186292    3023.4645        14.46        14.46        14.46            0 
-Loop time of 0.244011 on 1 procs for 10 steps with 256 atoms
+Loop time of 0.169334 on 1 procs for 10 steps with 256 atoms
 
-Performance: 0.708 ns/day, 33.890 hours/ns, 40.982 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.020 ns/day, 23.519 hours/ns, 59.055 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.24357    | 0.24357    | 0.24357    |   0.0 | 99.82
+Pair    | 0.16875    | 0.16875    | 0.16875    |   0.0 | 99.65
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00023103 | 0.00023103 | 0.00023103 |   0.0 |  0.09
-Output  | 0.00011086 | 0.00011086 | 0.00011086 |   0.0 |  0.05
-Modify  | 4.7445e-05 | 4.7445e-05 | 4.7445e-05 |   0.0 |  0.02
-Other   |            | 5.651e-05  |            |       |  0.02
+Comm    | 0.00034857 | 0.00034857 | 0.00034857 |   0.0 |  0.21
+Output  | 0.0001359  | 0.0001359  | 0.0001359  |   0.0 |  0.08
+Modify  | 4.1485e-05 | 4.1485e-05 | 4.1485e-05 |   0.0 |  0.02
+Other   |            | 5.889e-05  |            |       |  0.03
 
 Nlocal:    256 ave 256 max 256 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/comb/log.5Oct16.comb.Cu.g++.4 b/examples/comb/log.27Nov18.comb.Cu.g++.4
similarity index 80%
rename from examples/comb/log.5Oct16.comb.Cu.g++.4
rename to examples/comb/log.27Nov18.comb.Cu.g++.4
index d9b3aed9b0..bd37372709 100644
--- a/examples/comb/log.5Oct16.comb.Cu.g++.4
+++ b/examples/comb/log.27Nov18.comb.Cu.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Cu crystal, structure created by LAMMPS, qeq off
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (14.46 14.46 14.46)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 256 atoms
+  Time spent = 0.000329494 secs
 mass		1 63.54
 
 pair_style	comb
@@ -42,13 +44,18 @@ thermo	  	1
 
 run  		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 1 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 3 3 3
-Memory usage per processor = 6.35565 Mbytes
+  binsize = 6.25, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.951 | 6.951 | 6.951 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
        0         10.1   -3.5063151   -3.5076155   -3.5076155            0    27.496055    3023.4645        14.46        14.46        14.46            0 
        1    10.099638   -3.5063151   -3.5076155   -3.5076155            0    27.513531    3023.4645        14.46        14.46        14.46            0 
@@ -61,20 +68,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz
        8    10.076864   -3.5063151   -3.5076125   -3.5076125            0    28.613454    3023.4645        14.46        14.46        14.46            0 
        9    10.070725   -3.5063151   -3.5076118   -3.5076118            0    28.909893    3023.4645        14.46        14.46        14.46            0 
       10    10.063868   -3.5063151   -3.5076109   -3.5076109            0    29.241022    3023.4645        14.46        14.46        14.46            0 
-Loop time of 0.0643001 on 4 procs for 10 steps with 256 atoms
+Loop time of 0.0479479 on 4 procs for 10 steps with 256 atoms
 
-Performance: 2.687 ns/day, 8.931 hours/ns, 155.521 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.604 ns/day, 6.659 hours/ns, 208.560 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.062855   | 0.063074   | 0.063304   |   0.1 | 98.09
+Pair    | 0.043196   | 0.044313   | 0.045375   |   0.4 | 92.42
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00061822 | 0.00085837 | 0.0010862  |   0.6 |  1.33
-Output  | 0.00021434 | 0.00023013 | 0.00025868 |   0.1 |  0.36
-Modify  | 1.4782e-05 | 1.6153e-05 | 1.7405e-05 |   0.0 |  0.03
-Other   |            | 0.0001218  |            |       |  0.19
+Comm    | 0.0020213  | 0.0028703  | 0.0042944  |   1.7 |  5.99
+Output  | 0.00023198 | 0.00052303 | 0.00077415 |   0.0 |  1.09
+Modify  | 1.4782e-05 | 1.657e-05  | 1.812e-05  |   0.0 |  0.03
+Other   |            | 0.0002254  |            |       |  0.47
 
 Nlocal:    64 ave 64 max 64 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.1 b/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1
similarity index 81%
rename from examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.1
rename to examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1
index 0a1d16e25f..3c44febf60 100644
--- a/examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.1
+++ b/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Cu2O crystal, qeq on, minimizes, then calculates elastic constants
 
 units		metal
@@ -44,31 +45,36 @@ fix   	 	2 all qeq/comb 1 0.0001
 
 run		2
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.39852 Mbytes
+  binsize = 6.25, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.865 | 9.865 | 9.865 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
        0            1   -2.9288959   -2.9290251  -0.23839068   -2.6906344   0.79666672   -1.5933334        25.62        25.62        25.62    16816.568 
        1    1.0007128   -3.0464056   -3.0465348   0.40404394   -3.4505788   0.79666635   -1.5933327        25.62        25.62        25.62    16816.568 
        2    1.0028587   -3.0464056   -3.0465351   0.40404056   -3.4505757   0.79666516   -1.5933303        25.62        25.62        25.62    16816.568 
-Loop time of 0.661607 on 1 procs for 2 steps with 1296 atoms
+Loop time of 0.598454 on 1 procs for 2 steps with 1296 atoms
 
-Performance: 0.052 ns/day, 459.449 hours/ns, 3.023 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.058 ns/day, 415.593 hours/ns, 3.342 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.26068    | 0.26068    | 0.26068    |   0.0 | 39.40
+Pair    | 0.17797    | 0.17797    | 0.17797    |   0.0 | 29.74
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00010204 | 0.00010204 | 0.00010204 |   0.0 |  0.02
-Output  | 5.4836e-05 | 5.4836e-05 | 5.4836e-05 |   0.0 |  0.01
-Modify  | 0.40072    | 0.40072    | 0.40072    |   0.0 | 60.57
-Other   |            | 4.601e-05  |            |       |  0.01
+Comm    | 0.00016093 | 0.00016093 | 0.00016093 |   0.0 |  0.03
+Output  | 9.1314e-05 | 9.1314e-05 | 9.1314e-05 |   0.0 |  0.02
+Modify  | 0.42019    | 0.42019    | 0.42019    |   0.0 | 70.21
+Other   |            | 3.576e-05  |            |       |  0.01
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -87,15 +93,8 @@ Dangerous builds not checked
 unfix   	1
 fix		1 all box/relax aniso 0.0 vmax 0.001
 minimize	1.0e-14  1.0e-20  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 8.27781 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 11.74 | 11.74 | 11.74 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
        2    1.0028587   -3.0464056   -3.0465351   0.40403069   -3.4505658   0.79666516   -1.5933303        25.62        25.62        25.62    16816.568 
        3    1.0028587   -3.0917245    -3.091854   0.36260063   -3.4544547   0.79642968   -1.5928594     25.59438     25.59438     25.59438    16766.169 
@@ -122,9 +121,9 @@ Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume
       24    1.0028587    -3.966498   -3.9666275   -0.4616679   -3.5049596   0.79285787   -1.5857157     25.05636     25.05636     25.05636    15730.913 
       25    1.0028587   -3.9686392   -3.9687687  -0.46014255   -3.5086261   0.79286937   -1.5857387    25.034573    25.034573    25.034573    15689.914 
       26    1.0028587   -3.9686392   -3.9687687  -0.46018211   -3.5085866   0.79286471   -1.5857294    25.034573    25.034573    25.034573    15689.914 
-Loop time of 29.3376 on 1 procs for 24 steps with 1296 atoms
+Loop time of 28.4763 on 1 procs for 24 steps with 1296 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -138,12 +137,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 7.5417     | 7.5417     | 7.5417     |   0.0 | 25.71
-Neigh   | 0.071155   | 0.071155   | 0.071155   |   0.0 |  0.24
-Comm    | 0.0031855  | 0.0031855  | 0.0031855  |   0.0 |  0.01
-Output  | 0.00070429 | 0.00070429 | 0.00070429 |   0.0 |  0.00
-Modify  | 21.709     | 21.709     | 21.709     |   0.0 | 74.00
-Other   |            | 0.01167    |            |       |  0.04
+Pair    | 5.1932     | 5.1932     | 5.1932     |   0.0 | 18.24
+Neigh   | 0.078665   | 0.078665   | 0.078665   |   0.0 |  0.28
+Comm    | 0.0045877  | 0.0045877  | 0.0045877  |   0.0 |  0.02
+Output  | 0.0010743  | 0.0010743  | 0.0010743  |   0.0 |  0.00
+Modify  | 23.184     | 23.184     | 23.184     |   0.0 | 81.42
+Other   |            | 0.0143     |            |       |  0.05
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -163,31 +162,24 @@ min_modify	dmax 0.2 line quadratic
 unfix		1
 fix   		1 all nve
 run		1
-Neighbor list info ...
-  1 neighbor list requests
-  update every 20 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.65281 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.12 | 10.12 | 10.12 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
       26    1.0028587   -3.9686392   -3.9687687  -0.46018211   -3.5085866   0.79286471   -1.5857294    25.034573    25.034573    25.034573    15689.914 
       27   0.98924824   -3.9686392   -3.9687669  -0.46018036   -3.5085866   0.79286575   -1.5857315    25.034573    25.034573    25.034573    15689.914 
-Loop time of 0.273439 on 1 procs for 1 steps with 1296 atoms
+Loop time of 0.236144 on 1 procs for 1 steps with 1296 atoms
 
-Performance: 0.063 ns/day, 379.776 hours/ns, 3.657 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.073 ns/day, 327.978 hours/ns, 4.235 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.14151    | 0.14151    | 0.14151    |   0.0 | 51.75
+Pair    | 0.097929   | 0.097929   | 0.097929   |   0.0 | 41.47
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 4.8876e-05 | 4.8876e-05 | 4.8876e-05 |   0.0 |  0.02
-Output  | 2.3127e-05 | 2.3127e-05 | 2.3127e-05 |   0.0 |  0.01
-Modify  | 0.13185    | 0.13185    | 0.13185    |   0.0 | 48.22
-Other   |            | 1.192e-05  |            |       |  0.00
+Comm    | 6.8903e-05 | 6.8903e-05 | 6.8903e-05 |   0.0 |  0.03
+Output  | 4.673e-05  | 4.673e-05  | 4.673e-05  |   0.0 |  0.02
+Modify  | 0.13809    | 0.13809    | 0.13809    |   0.0 | 58.48
+Other   |            | 1.216e-05  |            |       |  0.01
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -216,9 +208,9 @@ fix  		2 all deform 1 x scale 1.0001 remap x
 compute   	perfx all stress/atom NULL pair
 compute   	fx all reduce sum 		c_perfx[1] c_perfx[2] c_perfx[3] 		c_perfx[4] c_perfx[5] c_perfx[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
 run		10
-Memory usage per processor = 7.02781 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.49 | 10.49 | 10.49 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6] 
       27    25.034573    25.034573    25.034573            0            0            0 -1.0598299e+08 -1.0598276e+08 -1.0598269e+08   -126504.69   -147668.13   -107881.81 
       28    25.034823    25.034573    25.034573            0            0            0 -1.0598299e+08 -1.0598276e+08 -1.0598269e+08   -126504.69   -147668.13   -107881.81 
@@ -231,20 +223,20 @@ Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
       35    25.036576    25.034573    25.034573            0            0            0     26482035    -39227675    -39227600   -126479.96   -147632.87   -107857.27 
       36    25.036826    25.034573    25.034573            0            0            0     45406330    -29692031    -29691956   -126476.43   -147627.84   -107853.76 
       37    25.037076    25.034573    25.034573            0            0            0     64330788    -20156596    -20156520    -126472.9    -147622.8   -107850.25 
-Loop time of 1.55219 on 1 procs for 10 steps with 1296 atoms
+Loop time of 1.09542 on 1 procs for 10 steps with 1296 atoms
 
-Performance: 0.111 ns/day, 215.582 hours/ns, 6.443 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.158 ns/day, 152.141 hours/ns, 9.129 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5493     | 1.5493     | 1.5493     |   0.0 | 99.81
+Pair    | 1.0913     | 1.0913     | 1.0913     |   0.0 | 99.62
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00050259 | 0.00050259 | 0.00050259 |   0.0 |  0.03
-Output  | 0.0021405  | 0.0021405  | 0.0021405  |   0.0 |  0.14
-Modify  | 0.00018573 | 0.00018573 | 0.00018573 |   0.0 |  0.01
-Other   |            | 0.0001054  |            |       |  0.01
+Comm    | 0.00068784 | 0.00068784 | 0.00068784 |   0.0 |  0.06
+Output  | 0.0030589  | 0.0030589  | 0.0030589  |   0.0 |  0.28
+Modify  | 0.0003252  | 0.0003252  | 0.0003252  |   0.0 |  0.03
+Other   |            | 8.798e-05  |            |       |  0.01
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -267,7 +259,7 @@ compute   	perfz all stress/atom NULL pair
 compute   	fz all reduce sum 		c_perfz[1] c_perfz[2] c_perfz[3] 		c_perfz[4] c_perfz[5] c_perfz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
 run		10
-Memory usage per processor = 7.77781 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 11.24 | 11.24 | 11.24 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6] 
       37    25.037076    25.034573    25.034573            0            0            0     83255401    -10621373    -10621296   -126469.36   -147617.76   -107846.74 
       38    25.037076    25.034573    25.034823            0            0            0     83255401    -10621373    -10621296   -126469.36   -147617.76   -107846.74 
@@ -280,20 +272,20 @@ Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
       45    25.037076    25.034573    25.036576            0            0            0 1.5000248e+08     56152550 1.2183572e+08   -126437.47   -147579.98   -107829.23 
       46    25.037076    25.034573    25.036826            0            0            0 1.5953685e+08     65690906 1.4075876e+08   -126432.91   -147574.58   -107826.72 
       47    25.037076    25.034573    25.037076            0            0            0  1.69071e+08     75229058 1.5968192e+08   -126428.35   -147569.18   -107824.22 
-Loop time of 1.55291 on 1 procs for 10 steps with 1296 atoms
+Loop time of 1.09885 on 1 procs for 10 steps with 1296 atoms
 
-Performance: 0.111 ns/day, 215.682 hours/ns, 6.440 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.157 ns/day, 152.618 hours/ns, 9.100 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5499     | 1.5499     | 1.5499     |   0.0 | 99.81
+Pair    | 1.0947     | 1.0947     | 1.0947     |   0.0 | 99.62
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00050187 | 0.00050187 | 0.00050187 |   0.0 |  0.03
-Output  | 0.0021739  | 0.0021739  | 0.0021739  |   0.0 |  0.14
-Modify  | 0.00018835 | 0.00018835 | 0.00018835 |   0.0 |  0.01
-Other   |            | 0.0001068  |            |       |  0.01
+Comm    | 0.00070024 | 0.00070024 | 0.00070024 |   0.0 |  0.06
+Output  | 0.0030808  | 0.0030808  | 0.0030808  |   0.0 |  0.28
+Modify  | 0.00032425 | 0.00032425 | 0.00032425 |   0.0 |  0.03
+Other   |            | 8.869e-05  |            |       |  0.01
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -316,7 +308,7 @@ compute   	perfyz all stress/atom NULL pair
 compute   	fyz all reduce sum 		c_perfyz[1] c_perfyz[2] c_perfyz[3] 		c_perfyz[4] c_perfyz[5] c_perfyz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
 run		10
-Memory usage per processor = 8.54308 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 12.01 | 12.01 | 12.01 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6] 
       47    25.037076    25.034573    25.037076            0            0            0 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.79   -107821.72 
       48    25.037076    25.034573    25.037076            0            0 5.0074153e-07 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.79   -107821.72 
@@ -329,20 +321,20 @@ Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
       55    25.037076    25.034573    25.037076            0            0 4.0059322e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.75    25114.443 
       56    25.037076    25.034573    25.037076            0            0 4.5066738e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.74    44105.323 
       57    25.037076    25.034573    25.037076            0            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.74    63096.203 
-Loop time of 1.55278 on 1 procs for 10 steps with 1296 atoms
+Loop time of 1.09597 on 1 procs for 10 steps with 1296 atoms
 
-Performance: 0.111 ns/day, 215.664 hours/ns, 6.440 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.158 ns/day, 152.219 hours/ns, 9.124 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5499     | 1.5499     | 1.5499     |   0.0 | 99.81
+Pair    | 1.0917     | 1.0917     | 1.0917     |   0.0 | 99.61
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00050759 | 0.00050759 | 0.00050759 |   0.0 |  0.03
-Output  | 0.0021291  | 0.0021291  | 0.0021291  |   0.0 |  0.14
-Modify  | 0.00018358 | 0.00018358 | 0.00018358 |   0.0 |  0.01
-Other   |            | 0.0001001  |            |       |  0.01
+Comm    | 0.00068474 | 0.00068474 | 0.00068474 |   0.0 |  0.06
+Output  | 0.0030637  | 0.0030637  | 0.0030637  |   0.0 |  0.28
+Modify  | 0.00032473 | 0.00032473 | 0.00032473 |   0.0 |  0.03
+Other   |            | 0.0001802  |            |       |  0.02
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -365,7 +357,7 @@ compute   	perfxy all stress/atom NULL pair
 compute   	fxy all reduce sum 		c_perfxy[1] c_perfxy[2] c_perfxy[3] 		c_perfxy[4] c_perfxy[5] c_perfxy[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
 run		10
-Memory usage per processor = 9.29308 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 12.76 | 12.76 | 12.76 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6] 
       57    25.037076    25.034573    25.037076            0            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.73    82087.083 
       58    25.037076    25.034573    25.037076 5.0069146e-07            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.73    82087.083 
@@ -378,20 +370,20 @@ Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
       65    25.037076    25.034573    25.037076 4.0055317e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    6499.2334   -147563.69    82087.109 
       66    25.037076    25.034573    25.037076 4.5062231e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    25488.236   -147563.69    82087.113 
       67    25.037076    25.034573    25.037076 5.0069146e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    44477.239   -147563.68    82087.116 
-Loop time of 1.55248 on 1 procs for 10 steps with 1296 atoms
+Loop time of 1.09696 on 1 procs for 10 steps with 1296 atoms
 
-Performance: 0.111 ns/day, 215.622 hours/ns, 6.441 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.158 ns/day, 152.356 hours/ns, 9.116 timesteps/s
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5495     | 1.5495     | 1.5495     |   0.0 | 99.81
+Pair    | 1.0927     | 1.0927     | 1.0927     |   0.0 | 99.61
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00049877 | 0.00049877 | 0.00049877 |   0.0 |  0.03
-Output  | 0.0021408  | 0.0021408  | 0.0021408  |   0.0 |  0.14
-Modify  | 0.00018549 | 0.00018549 | 0.00018549 |   0.0 |  0.01
-Other   |            | 0.0001054  |            |       |  0.01
+Comm    | 0.0007906  | 0.0007906  | 0.0007906  |   0.0 |  0.07
+Output  | 0.0030892  | 0.0030892  | 0.0030892  |   0.0 |  0.28
+Modify  | 0.00032568 | 0.00032568 | 0.00032568 |   0.0 |  0.03
+Other   |            | 8.726e-05  |            |       |  0.01
 
 Nlocal:    1296 ave 1296 max 1296 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -406,4 +398,4 @@ Total # of neighbors = 862272
 Ave neighs/atom = 665.333
 Neighbor list builds = 0
 Dangerous builds not checked
-Total wall time: 0:00:43
+Total wall time: 0:00:40
diff --git a/examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.4 b/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4
similarity index 81%
rename from examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.4
rename to examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4
index 453a7e0e6c..30c4e79a9e 100644
--- a/examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.4
+++ b/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Cu2O crystal, qeq on, minimizes, then calculates elastic constants
 
 units		metal
@@ -44,31 +45,36 @@ fix   	 	2 all qeq/comb 1 0.0001
 
 run		2
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.28094 Mbytes
+  binsize = 6.25, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.411 | 7.411 | 7.411 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
        0            1   -2.9288959   -2.9290251  -0.23839068   -2.6906344   0.79666672   -1.5933334        25.62        25.62        25.62    16816.568 
        1    1.0007128   -3.0464056   -3.0465348   0.40404394   -3.4505788   0.79666635   -1.5933327        25.62        25.62        25.62    16816.568 
        2    1.0028587   -3.0464056   -3.0465351   0.40404056   -3.4505757   0.79666516   -1.5933303        25.62        25.62        25.62    16816.568 
-Loop time of 0.168944 on 4 procs for 2 steps with 1296 atoms
+Loop time of 0.198435 on 4 procs for 2 steps with 1296 atoms
 
-Performance: 0.205 ns/day, 117.322 hours/ns, 11.838 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.174 ns/day, 137.802 hours/ns, 10.079 timesteps/s
+92.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.064867   | 0.065282   | 0.065606   |   0.1 | 38.64
+Pair    | 0.043778   | 0.049896   | 0.064625   |   3.9 | 25.14
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00026083 | 0.00059474 | 0.001004   |   1.1 |  0.35
-Output  | 7.1049e-05 | 7.3791e-05 | 8.1062e-05 |   0.0 |  0.04
-Modify  | 0.10295    | 0.10296    | 0.10297    |   0.0 | 60.94
-Other   |            | 3.177e-05  |            |       |  0.02
+Comm    | 0.0020771  | 0.016784   | 0.022921   |   6.6 |  8.46
+Output  | 7.4863e-05 | 0.00012481 | 0.00026703 |   0.0 |  0.06
+Modify  | 0.13153    | 0.13154    | 0.13155    |   0.0 | 66.29
+Other   |            | 8.988e-05  |            |       |  0.05
 
 Nlocal:    324 ave 324 max 324 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -87,15 +93,8 @@ Dangerous builds not checked
 unfix   	1
 fix		1 all box/relax aniso 0.0 vmax 0.001
 minimize	1.0e-14  1.0e-20  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 8.15594 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 9.286 | 9.286 | 9.286 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
        2    1.0028587   -3.0464056   -3.0465351   0.40403069   -3.4505658   0.79666516   -1.5933303        25.62        25.62        25.62    16816.568 
        3    1.0028587   -3.0917245    -3.091854   0.36260063   -3.4544547   0.79642968   -1.5928594     25.59438     25.59438     25.59438    16766.169 
@@ -122,9 +121,9 @@ Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume
       24    1.0028587    -3.966498   -3.9666275   -0.4616679   -3.5049596   0.79285787   -1.5857157     25.05636     25.05636     25.05636    15730.913 
       25    1.0028587   -3.9686392   -3.9687687  -0.46014255   -3.5086261   0.79286937   -1.5857387    25.034573    25.034573    25.034573    15689.914 
       26    1.0028587   -3.9686392   -3.9687687  -0.46018211   -3.5085866   0.79286471   -1.5857294    25.034573    25.034573    25.034573    15689.914 
-Loop time of 7.60393 on 4 procs for 24 steps with 1296 atoms
+Loop time of 7.68847 on 4 procs for 24 steps with 1296 atoms
 
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -138,12 +137,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.8378     | 1.8844     | 1.9098     |   2.1 | 24.78
-Neigh   | 0.017217   | 0.01784    | 0.018236   |   0.3 |  0.23
-Comm    | 0.011872   | 0.03777    | 0.08501    |  14.8 |  0.50
-Output  | 0.00087929 | 0.00090992 | 0.00099182 |   0.2 |  0.01
-Modify  | 5.6557     | 5.6558     | 5.6559     |   0.0 | 74.38
-Other   |            | 0.007261   |            |       |  0.10
+Pair    | 1.2491     | 1.3017     | 1.3281     |   2.7 | 16.93
+Neigh   | 0.019151   | 0.019765   | 0.020248   |   0.3 |  0.26
+Comm    | 0.037999   | 0.064493   | 0.11782    |  12.3 |  0.84
+Output  | 0.0011022  | 0.0016249  | 0.0031886  |   2.2 |  0.02
+Modify  | 6.2904     | 6.2905     | 6.2907     |   0.0 | 81.82
+Other   |            | 0.01031    |            |       |  0.13
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -163,31 +162,24 @@ min_modify	dmax 0.2 line quadratic
 unfix		1
 fix   		1 all nve
 run		1
-Neighbor list info ...
-  1 neighbor list requests
-  update every 20 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.53094 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.661 | 7.661 | 7.661 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul c_q1 c_q2 Lx Ly Lz Volume 
       26    1.0028587   -3.9686392   -3.9687687  -0.46018211   -3.5085866   0.79286471   -1.5857294    25.034573    25.034573    25.034573    15689.914 
       27   0.98924824   -3.9686392   -3.9687669  -0.46018036   -3.5085866   0.79286575   -1.5857315    25.034573    25.034573    25.034573    15689.914 
-Loop time of 0.0698364 on 4 procs for 1 steps with 1296 atoms
+Loop time of 0.0626205 on 4 procs for 1 steps with 1296 atoms
 
-Performance: 0.247 ns/day, 96.995 hours/ns, 14.319 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.276 ns/day, 86.973 hours/ns, 15.969 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.034876   | 0.035652   | 0.036197   |   0.3 | 51.05
+Pair    | 0.024917   | 0.025476   | 0.025981   |   0.2 | 40.68
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00012708 | 0.00067472 | 0.0014517  |   2.0 |  0.97
-Output  | 3.5048e-05 | 3.6299e-05 | 3.9101e-05 |   0.0 |  0.05
-Modify  | 0.033457   | 0.033461   | 0.033464   |   0.0 | 47.91
-Other   |            | 1.24e-05   |            |       |  0.02
+Comm    | 9.3937e-05 | 0.00060064 | 0.0011597  |   0.0 |  0.96
+Output  | 4.5061e-05 | 6.8903e-05 | 0.00013781 |   0.0 |  0.11
+Modify  | 0.036391   | 0.036391   | 0.036393   |   0.0 | 58.11
+Other   |            | 8.357e-05  |            |       |  0.13
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -216,9 +208,9 @@ fix  		2 all deform 1 x scale 1.0001 remap x
 compute   	perfx all stress/atom NULL pair
 compute   	fx all reduce sum 		c_perfx[1] c_perfx[2] c_perfx[3] 		c_perfx[4] c_perfx[5] c_perfx[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
 run		10
-Memory usage per processor = 6.90594 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.036 | 8.036 | 8.036 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6] 
       27    25.034573    25.034573    25.034573            0            0            0 -1.0598299e+08 -1.0598276e+08 -1.0598269e+08   -126504.69   -147668.13   -107881.81 
       28    25.034823    25.034573    25.034573            0            0            0 -1.0598299e+08 -1.0598276e+08 -1.0598269e+08   -126504.69   -147668.13   -107881.81 
@@ -231,20 +223,20 @@ Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
       35    25.036576    25.034573    25.034573            0            0            0     26482035    -39227675    -39227600   -126479.96   -147632.87   -107857.27 
       36    25.036826    25.034573    25.034573            0            0            0     45406330    -29692031    -29691956   -126476.43   -147627.84   -107853.76 
       37    25.037076    25.034573    25.034573            0            0            0     64330788    -20156596    -20156520    -126472.9    -147622.8   -107850.25 
-Loop time of 0.395692 on 4 procs for 10 steps with 1296 atoms
+Loop time of 0.296792 on 4 procs for 10 steps with 1296 atoms
 
-Performance: 0.437 ns/day, 54.957 hours/ns, 25.272 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.582 ns/day, 41.221 hours/ns, 33.694 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.37577    | 0.38538    | 0.39123    |   1.0 | 97.39
+Pair    | 0.26413    | 0.27686    | 0.29205    |   2.0 | 93.28
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0016012  | 0.0074702  | 0.017095   |   7.0 |  1.89
-Output  | 0.0026791  | 0.0027133  | 0.0027606  |   0.1 |  0.69
-Modify  | 5.6028e-05 | 5.8174e-05 | 6.1035e-05 |   0.0 |  0.01
-Other   |            | 7.373e-05  |            |       |  0.02
+Comm    | 0.00092983 | 0.016655   | 0.029568   |   8.3 |  5.61
+Output  | 0.0028515  | 0.003047   | 0.0036252  |   0.6 |  1.03
+Modify  | 0.00010395 | 0.00011069 | 0.00011992 |   0.0 |  0.04
+Other   |            | 0.0001195  |            |       |  0.04
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -267,7 +259,7 @@ compute   	perfz all stress/atom NULL pair
 compute   	fz all reduce sum 		c_perfz[1] c_perfz[2] c_perfz[3] 		c_perfz[4] c_perfz[5] c_perfz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
 run		10
-Memory usage per processor = 7.65594 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.786 | 8.786 | 8.786 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6] 
       37    25.037076    25.034573    25.034573            0            0            0     83255401    -10621373    -10621296   -126469.36   -147617.76   -107846.74 
       38    25.037076    25.034573    25.034823            0            0            0     83255401    -10621373    -10621296   -126469.36   -147617.76   -107846.74 
@@ -280,20 +272,20 @@ Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
       45    25.037076    25.034573    25.036576            0            0            0 1.5000248e+08     56152550 1.2183572e+08   -126437.47   -147579.98   -107829.23 
       46    25.037076    25.034573    25.036826            0            0            0 1.5953685e+08     65690906 1.4075876e+08   -126432.91   -147574.58   -107826.72 
       47    25.037076    25.034573    25.037076            0            0            0  1.69071e+08     75229058 1.5968192e+08   -126428.35   -147569.18   -107824.22 
-Loop time of 0.395265 on 4 procs for 10 steps with 1296 atoms
+Loop time of 0.298517 on 4 procs for 10 steps with 1296 atoms
 
-Performance: 0.437 ns/day, 54.898 hours/ns, 25.300 timesteps/s
-100.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.579 ns/day, 41.461 hours/ns, 33.499 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.37558    | 0.38392    | 0.39002    |   1.0 | 97.13
+Pair    | 0.26417    | 0.27784    | 0.29233    |   1.9 | 93.07
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0023744  | 0.0084905  | 0.016869   |   6.7 |  2.15
-Output  | 0.0026851  | 0.0027224  | 0.0027671  |   0.1 |  0.69
-Modify  | 5.3167e-05 | 5.6148e-05 | 5.8651e-05 |   0.0 |  0.01
-Other   |            | 7.594e-05  |            |       |  0.02
+Comm    | 0.0020907  | 0.017109   | 0.030962   |   7.9 |  5.73
+Output  | 0.0031412  | 0.003336   | 0.003916   |   0.6 |  1.12
+Modify  | 0.00010443 | 0.00010878 | 0.00011301 |   0.0 |  0.04
+Other   |            | 0.0001191  |            |       |  0.04
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -316,7 +308,7 @@ compute   	perfyz all stress/atom NULL pair
 compute   	fyz all reduce sum 		c_perfyz[1] c_perfyz[2] c_perfyz[3] 		c_perfyz[4] c_perfyz[5] c_perfyz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
 run		10
-Memory usage per processor = 8.42123 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 9.552 | 9.552 | 9.552 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6] 
       47    25.037076    25.034573    25.037076            0            0            0 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.79   -107821.72 
       48    25.037076    25.034573    25.037076            0            0 5.0074153e-07 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.79   -107821.72 
@@ -329,20 +321,20 @@ Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
       55    25.037076    25.034573    25.037076            0            0 4.0059322e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.75    25114.443 
       56    25.037076    25.034573    25.037076            0            0 4.5066738e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.74    44105.323 
       57    25.037076    25.034573    25.037076            0            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.74    63096.203 
-Loop time of 0.395982 on 4 procs for 10 steps with 1296 atoms
+Loop time of 0.313155 on 4 procs for 10 steps with 1296 atoms
 
-Performance: 0.436 ns/day, 54.997 hours/ns, 25.254 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.552 ns/day, 43.494 hours/ns, 31.933 timesteps/s
+95.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.37606    | 0.38505    | 0.39068    |   1.0 | 97.24
+Pair    | 0.26394    | 0.28147    | 0.29254    |   2.1 | 89.88
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0021853  | 0.0078424  | 0.016867   |   6.7 |  1.98
-Output  | 0.0029173  | 0.0029593  | 0.0030072  |   0.1 |  0.75
-Modify  | 5.3167e-05 | 5.4538e-05 | 5.722e-05  |   0.0 |  0.01
-Other   |            | 7.403e-05  |            |       |  0.02
+Comm    | 0.01504    | 0.027947   | 0.046101   |   7.0 |  8.92
+Output  | 0.0028515  | 0.0034934  | 0.0053933  |   1.9 |  1.12
+Modify  | 0.0001061  | 0.00010973 | 0.00011516 |   0.0 |  0.04
+Other   |            | 0.0001362  |            |       |  0.04
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -365,7 +357,7 @@ compute   	perfxy all stress/atom NULL pair
 compute   	fxy all reduce sum 		c_perfxy[1] c_perfxy[2] c_perfxy[3] 		c_perfxy[4] c_perfxy[5] c_perfxy[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
 run		10
-Memory usage per processor = 9.17123 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.3 | 10.3 | 10.3 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6] 
       57    25.037076    25.034573    25.037076            0            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.73    82087.083 
       58    25.037076    25.034573    25.037076 5.0069146e-07            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08   -126423.79   -147563.73    82087.083 
@@ -378,20 +370,20 @@ Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
       65    25.037076    25.034573    25.037076 4.0055317e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    6499.2334   -147563.69    82087.109 
       66    25.037076    25.034573    25.037076 4.5062231e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    25488.236   -147563.69    82087.113 
       67    25.037076    25.034573    25.037076 5.0069146e-06            0 5.0074153e-06 1.7860489e+08     84767004 1.7860521e+08    44477.239   -147563.68    82087.116 
-Loop time of 0.393499 on 4 procs for 10 steps with 1296 atoms
+Loop time of 0.298849 on 4 procs for 10 steps with 1296 atoms
 
-Performance: 0.439 ns/day, 54.653 hours/ns, 25.413 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.578 ns/day, 41.507 hours/ns, 33.462 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.37563    | 0.38304    | 0.38942    |   1.0 | 97.34
+Pair    | 0.26403    | 0.27705    | 0.29235    |   2.0 | 92.71
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0013115  | 0.0077351  | 0.015176   |   6.8 |  1.97
-Output  | 0.002558   | 0.0025953  | 0.0026426  |   0.1 |  0.66
-Modify  | 5.1975e-05 | 5.4598e-05 | 5.8174e-05 |   0.0 |  0.01
-Other   |            | 7.737e-05  |            |       |  0.02
+Comm    | 0.00092888 | 0.017273   | 0.030558   |   8.4 |  5.78
+Output  | 0.0032196  | 0.0042848  | 0.0053816  |   1.2 |  1.43
+Modify  | 0.00010204 | 0.00010765 | 0.0001123  |   0.0 |  0.04
+Other   |            | 0.0001339  |            |       |  0.04
 
 Nlocal:    324 ave 328 max 318 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
diff --git a/examples/comb/log.5Oct16.comb.HfO2.g++.1 b/examples/comb/log.27Nov18.comb.HfO2.g++.1
similarity index 76%
rename from examples/comb/log.5Oct16.comb.HfO2.g++.1
rename to examples/comb/log.27Nov18.comb.HfO2.g++.1
index 2db94329dd..2844a91523 100644
--- a/examples/comb/log.5Oct16.comb.HfO2.g++.1
+++ b/examples/comb/log.27Nov18.comb.HfO2.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 units		metal
 atom_style	charge
 dimension       3
@@ -39,30 +40,35 @@ fix		1 all nvt temp 300.0 300.0 0.1
 thermo      	1
 run    		1
 Neighbor list info ...
-  1 neighbor list requests
   update every 10 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.5933 Mbytes
+  binsize = 6.25, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 10.84 | 10.84 | 10.84 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        0            0   -9.3995049   -9.3995049     5.256221   -14.655726    60985.254    17627.802       25.642       25.957      26.4845     -4.46691          3.6         -1.8 
        1  0.039315732   -9.3995035   -9.3995086    5.2562201   -14.655729    60983.797    17627.802       25.642       25.957      26.4845     -4.46691          3.6         -1.8 
-Loop time of 0.165626 on 1 procs for 1 steps with 1500 atoms
+Loop time of 0.128487 on 1 procs for 1 steps with 1500 atoms
 
-Performance: 0.104 ns/day, 230.036 hours/ns, 6.038 timesteps/s
-100.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.134 ns/day, 178.455 hours/ns, 7.783 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.16548    | 0.16548    | 0.16548    |   0.0 | 99.91
+Pair    | 0.12826    | 0.12826    | 0.12826    |   0.0 | 99.82
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 6.8188e-05 | 6.8188e-05 | 6.8188e-05 |   0.0 |  0.04
-Output  | 2.8133e-05 | 2.8133e-05 | 2.8133e-05 |   0.0 |  0.02
-Modify  | 3.5763e-05 | 3.5763e-05 | 3.5763e-05 |   0.0 |  0.02
-Other   |            | 1.597e-05  |            |       |  0.01
+Comm    | 9.5367e-05 | 9.5367e-05 | 9.5367e-05 |   0.0 |  0.07
+Output  | 4.8399e-05 | 4.8399e-05 | 4.8399e-05 |   0.0 |  0.04
+Modify  | 7.1526e-05 | 7.1526e-05 | 7.1526e-05 |   0.0 |  0.06
+Other   |            | 1.192e-05  |            |       |  0.01
 
 Nlocal:    1500 ave 1500 max 1500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -79,7 +85,7 @@ Neighbor list builds = 0
 Dangerous builds = 0
 fix  		2 all qeq/comb 1 0.003 file fq.out
 run    		5
-Memory usage per processor = 7.2183 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 11.47 | 11.47 | 11.47 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        1  0.039315732   -9.3995035   -9.3995086    5.2562201   -14.655729    60983.797    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        2   0.13734003   -10.041396   -10.041413    2.7214902   -12.762903   -130794.11    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
@@ -87,20 +93,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2
        4   0.44445358   -10.041379   -10.041436    2.7214924   -12.762929   -130808.63    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        5   0.66458606   -10.041367   -10.041453    2.7214941   -12.762947   -130818.84    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        6   0.92875014   -10.041353   -10.041473     2.721496   -12.762969      -130831    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
-Loop time of 1.12494 on 1 procs for 5 steps with 1500 atoms
+Loop time of 0.95807 on 1 procs for 5 steps with 1500 atoms
 
-Performance: 0.077 ns/day, 312.485 hours/ns, 4.445 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.090 ns/day, 266.130 hours/ns, 5.219 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.82774    | 0.82774    | 0.82774    |   0.0 | 73.58
+Pair    | 0.64289    | 0.64289    | 0.64289    |   0.0 | 67.10
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00032425 | 0.00032425 | 0.00032425 |   0.0 |  0.03
-Output  | 0.00013924 | 0.00013924 | 0.00013924 |   0.0 |  0.01
-Modify  | 0.29665    | 0.29665    | 0.29665    |   0.0 | 26.37
-Other   |            | 8.941e-05  |            |       |  0.01
+Comm    | 0.00040817 | 0.00040817 | 0.00040817 |   0.0 |  0.04
+Output  | 0.00024867 | 0.00024867 | 0.00024867 |   0.0 |  0.03
+Modify  | 0.31447    | 0.31447    | 0.31447    |   0.0 | 32.82
+Other   |            | 5.698e-05  |            |       |  0.01
 
 Nlocal:    1500 ave 1500 max 1500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -123,21 +129,14 @@ fix		1 all box/relax aniso 0.0 vmax 0.0002
 
 #minimize	1.0e-12  1.0e-18  1000  10000
 minimize	1.0e-4  1.0e-6  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 8.3433 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 12.59 | 12.59 | 12.59 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        6   0.92875014   -10.041353   -10.041473     2.721496   -12.762969      -130831    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        7   0.92875014   -10.041833   -10.041953    2.7196698   -12.761623   -130754.01    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
-Loop time of 0.628066 on 1 procs for 1 steps with 1500 atoms
+Loop time of 0.57271 on 1 procs for 1 steps with 1500 atoms
 
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -151,12 +150,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.33072    | 0.33072    | 0.33072    |   0.0 | 52.66
+Pair    | 0.25711    | 0.25711    | 0.25711    |   0.0 | 44.89
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00013089 | 0.00013089 | 0.00013089 |   0.0 |  0.02
+Comm    | 0.00016379 | 0.00016379 | 0.00016379 |   0.0 |  0.03
 Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0.29688    | 0.29688    | 0.29688    |   0.0 | 47.27
-Other   |            | 0.0003412  |            |       |  0.05
+Modify  | 0.31493    | 0.31493    | 0.31493    |   0.0 | 54.99
+Other   |            | 0.0005131  |            |       |  0.09
 
 Nlocal:    1500 ave 1500 max 1500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -184,14 +183,7 @@ min_modify	dmax 0.005 line quadratic
 
 velocity	all create 300.1 2398378
 run  		10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 10 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 7.2183 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 11.47 | 11.47 | 11.47 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        7        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
        8        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
@@ -204,20 +196,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2
       15        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
       16        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
       17        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
-Loop time of 2.25256 on 1 procs for 10 steps with 1500 atoms
+Loop time of 1.93286 on 1 procs for 10 steps with 1500 atoms
 
-Performance: 0.077 ns/day, 312.855 hours/ns, 4.439 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.089 ns/day, 268.453 hours/ns, 5.174 timesteps/s
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.6582     | 1.6582     | 1.6582     |   0.0 | 73.62
+Pair    | 1.2975     | 1.2975     | 1.2975     |   0.0 | 67.13
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00064015 | 0.00064015 | 0.00064015 |   0.0 |  0.03
-Output  | 0.00028682 | 0.00028682 | 0.00028682 |   0.0 |  0.01
-Modify  | 0.59326    | 0.59326    | 0.59326    |   0.0 | 26.34
-Other   |            | 0.0001378  |            |       |  0.01
+Comm    | 0.00082493 | 0.00082493 | 0.00082493 |   0.0 |  0.04
+Output  | 0.00050569 | 0.00050569 | 0.00050569 |   0.0 |  0.03
+Modify  | 0.63389    | 0.63389    | 0.63389    |   0.0 | 32.80
+Other   |            | 0.0001204  |            |       |  0.01
 
 Nlocal:    1500 ave 1500 max 1500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -232,4 +224,4 @@ Total # of neighbors = 1037500
 Ave neighs/atom = 691.667
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:10
+Total wall time: 0:00:09
diff --git a/examples/comb/log.5Oct16.comb.HfO2.g++.4 b/examples/comb/log.27Nov18.comb.HfO2.g++.4
similarity index 76%
rename from examples/comb/log.5Oct16.comb.HfO2.g++.4
rename to examples/comb/log.27Nov18.comb.HfO2.g++.4
index 370982c81e..07f8f00521 100644
--- a/examples/comb/log.5Oct16.comb.HfO2.g++.4
+++ b/examples/comb/log.27Nov18.comb.HfO2.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 units		metal
 atom_style	charge
 dimension       3
@@ -39,30 +40,35 @@ fix		1 all nvt temp 300.0 300.0 0.1
 thermo      	1
 run    		1
 Neighbor list info ...
-  1 neighbor list requests
   update every 10 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 6.45428 Mbytes
+  binsize = 6.25, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.595 | 7.595 | 7.596 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        0            0   -9.3995049   -9.3995049     5.256221   -14.655726    60985.254    17627.802       25.642       25.957      26.4845     -4.46691          3.6         -1.8 
        1  0.039315732   -9.3995035   -9.3995086    5.2562201   -14.655729    60983.797    17627.802       25.642       25.957      26.4845     -4.46691          3.6         -1.8 
-Loop time of 0.0431705 on 4 procs for 1 steps with 1500 atoms
+Loop time of 0.0343346 on 4 procs for 1 steps with 1500 atoms
 
-Performance: 0.400 ns/day, 59.959 hours/ns, 23.164 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.503 ns/day, 47.687 hours/ns, 29.125 timesteps/s
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.041113   | 0.041747   | 0.04291    |   0.3 | 96.70
+Pair    | 0.032358   | 0.033033   | 0.034117   |   0.4 | 96.21
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00016999 | 0.0013372  | 0.001966   |   1.9 |  3.10
-Output  | 4.2915e-05 | 4.4703e-05 | 4.7922e-05 |   0.0 |  0.10
-Modify  | 1.502e-05  | 2.3365e-05 | 2.9087e-05 |   0.1 |  0.05
-Other   |            | 1.83e-05   |            |       |  0.04
+Comm    | 0.00012684 | 0.0012044  | 0.0018878  |   2.0 |  3.51
+Output  | 4.3392e-05 | 4.6432e-05 | 5.1737e-05 |   0.0 |  0.14
+Modify  | 2.1935e-05 | 2.3842e-05 | 2.5511e-05 |   0.0 |  0.07
+Other   |            | 2.718e-05  |            |       |  0.08
 
 Nlocal:    375 ave 375 max 375 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -79,7 +85,7 @@ Neighbor list builds = 0
 Dangerous builds = 0
 fix  		2 all qeq/comb 1 0.003 file fq.out
 run    		5
-Memory usage per processor = 7.07928 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.22 | 8.22 | 8.221 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        1  0.039315732   -9.3995035   -9.3995086    5.2562201   -14.655729    60983.797    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        2   0.13734003   -10.041396   -10.041413    2.7214902   -12.762903   -130794.11    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
@@ -87,20 +93,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2
        4   0.44445358   -10.041379   -10.041436    2.7214924   -12.762929   -130808.63    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        5   0.66458606   -10.041367   -10.041453    2.7214941   -12.762947   -130818.84    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        6   0.92875014   -10.041353   -10.041473     2.721496   -12.762969      -130831    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
-Loop time of 0.282798 on 4 procs for 5 steps with 1500 atoms
+Loop time of 0.264002 on 4 procs for 5 steps with 1500 atoms
 
-Performance: 0.306 ns/day, 78.555 hours/ns, 17.680 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.327 ns/day, 73.334 hours/ns, 18.939 timesteps/s
+96.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.20467    | 0.20595    | 0.20674    |   0.2 | 72.83
+Pair    | 0.16374    | 0.17099    | 0.17738    |   1.2 | 64.77
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0016997  | 0.0024779  | 0.003768   |   1.7 |  0.88
-Output  | 0.00022483 | 0.00023055 | 0.00024247 |   0.0 |  0.08
-Modify  | 0.074072   | 0.074082   | 0.074091   |   0.0 | 26.20
-Other   |            | 5.567e-05  |            |       |  0.02
+Comm    | 0.0030768  | 0.0093628  | 0.016711   |   5.1 |  3.55
+Output  | 0.00022531 | 0.00034034 | 0.00068116 |   0.0 |  0.13
+Modify  | 0.083183   | 0.083188   | 0.083197   |   0.0 | 31.51
+Other   |            | 0.0001165  |            |       |  0.04
 
 Nlocal:    375 ave 375 max 375 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -123,21 +129,14 @@ fix		1 all box/relax aniso 0.0 vmax 0.0002
 
 #minimize	1.0e-12  1.0e-18  1000  10000
 minimize	1.0e-4  1.0e-6  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 8.20428 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 9.345 | 9.345 | 9.346 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        6   0.92875014   -10.041353   -10.041473     2.721496   -12.762969      -130831    17627.802       25.642       25.957      26.4845     -4.46691    3.3579959    -1.678998 
        7   0.92875014   -10.041833   -10.041953    2.7196698   -12.761623   -130754.01    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
-Loop time of 0.159283 on 4 procs for 1 steps with 1500 atoms
+Loop time of 0.15331 on 4 procs for 1 steps with 1500 atoms
 
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -151,12 +150,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.082013   | 0.082956   | 0.083975   |   0.3 | 52.08
+Pair    | 0.065077   | 0.066851   | 0.06825    |   0.5 | 43.61
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0003221  | 0.0013521  | 0.0022871  |   2.2 |  0.85
+Comm    | 0.0013995  | 0.0027977  | 0.0045724  |   2.4 |  1.82
 Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0.074703   | 0.074712   | 0.074719   |   0.0 | 46.91
-Other   |            | 0.000263   |            |       |  0.17
+Modify  | 0.083279   | 0.083284   | 0.083293   |   0.0 | 54.32
+Other   |            | 0.0003769  |            |       |  0.25
 
 Nlocal:    375 ave 375 max 375 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -184,14 +183,7 @@ min_modify	dmax 0.005 line quadratic
 
 velocity	all create 300.1 2398378
 run  		10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 10 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 5 5 5
-Memory usage per processor = 7.07928 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.22 | 8.22 | 8.221 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2 
        7        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
        8        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
@@ -204,20 +196,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz c_q1 c_q2
       15        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
       16        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
       17        300.1   -10.003188   -10.041953    2.7196698   -12.761623      -127240    17619.854    25.636872    25.952628    26.482314   -4.4665414    3.3577845   -1.6788923 
-Loop time of 0.572819 on 4 procs for 10 steps with 1500 atoms
+Loop time of 0.555816 on 4 procs for 10 steps with 1500 atoms
 
-Performance: 0.302 ns/day, 79.558 hours/ns, 17.458 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.311 ns/day, 77.197 hours/ns, 17.992 timesteps/s
+92.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.41014    | 0.41529    | 0.42112    |   0.6 | 72.50
+Pair    | 0.33358    | 0.35381    | 0.36898    |   2.2 | 63.66
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0017653  | 0.0076357  | 0.012777   |   4.8 |  1.33
-Output  | 0.00045943 | 0.00046003 | 0.00046039 |   0.0 |  0.08
-Modify  | 0.1493     | 0.14933    | 0.14935    |   0.0 | 26.07
-Other   |            | 0.0001076  |            |       |  0.02
+Comm    | 0.005245   | 0.02059    | 0.041362   |   9.1 |  3.70
+Output  | 0.00058889 | 0.00082082 | 0.0015032  |   0.0 |  0.15
+Modify  | 0.1798     | 0.18018    | 0.18053    |   0.1 | 32.42
+Other   |            | 0.0004114  |            |       |  0.07
 
 Nlocal:    375 ave 375 max 375 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/comb/log.5Oct16.comb.Si.elastic.g++.1 b/examples/comb/log.27Nov18.comb.Si.elastic.g++.1
similarity index 80%
rename from examples/comb/log.5Oct16.comb.Si.elastic.g++.1
rename to examples/comb/log.27Nov18.comb.Si.elastic.g++.1
index 939210b353..47d1f5f03d 100644
--- a/examples/comb/log.5Oct16.comb.Si.elastic.g++.1
+++ b/examples/comb/log.27Nov18.comb.Si.elastic.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Si crystal, qeq off, calculates stress-strain, no out.*.cfg
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 512 atoms
+  Time spent = 0.000361919 secs
 mass		1 29.0
 change_box  	all triclinic
   triclinic box = (0 0 0) to (21.724 21.724 21.724) with tilt (0 0 0)
@@ -34,15 +36,20 @@ thermo_style	custom step temp etotal pe evdwl ecoul 		#lx ly lz vol pxx pyy pzz
 thermo_modify	norm yes
 thermo		1
 minimize	1.0e-14  1.0e-20  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 7.60455 Mbytes
+  binsize = 6.25, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 8.98 | 8.98 | 8.98 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul 
        0            1   -4.6295947   -4.6297237   -4.6297237            0 
        1            1   -4.6295965   -4.6297255   -4.6297255            0 
@@ -50,9 +57,9 @@ Step Temp TotEng PotEng E_vdwl E_coul
        3            1   -4.6295965   -4.6297255   -4.6297255            0 
        4            1   -4.6295965   -4.6297255   -4.6297255            0 
        5            1   -4.6295965   -4.6297255   -4.6297255            0 
-Loop time of 0.201077 on 1 procs for 5 steps with 512 atoms
+Loop time of 0.150557 on 1 procs for 5 steps with 512 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -66,12 +73,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.1996     | 0.1996     | 0.1996     |   0.0 | 99.27
+Pair    | 0.14823    | 0.14823    | 0.14823    |   0.0 | 98.45
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00029564 | 0.00029564 | 0.00029564 |   0.0 |  0.15
-Output  | 2.861e-05  | 2.861e-05  | 2.861e-05  |   0.0 |  0.01
+Comm    | 0.00061703 | 0.00061703 | 0.00061703 |   0.0 |  0.41
+Output  | 6.8903e-05 | 6.8903e-05 | 6.8903e-05 |   0.0 |  0.05
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.001153   |            |       |  0.57
+Other   |            | 0.001645   |            |       |  1.09
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -90,32 +97,25 @@ min_modify	dmax 0.2 line quadratic
 
 unfix		1
 run		1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 20 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 5.97955 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.355 | 7.355 | 7.355 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul 
        5            1   -4.6295965   -4.6297255   -4.6297255            0 
        6            1   -4.6295965   -4.6297255   -4.6297255            0 
-Loop time of 0.018162 on 1 procs for 1 steps with 512 atoms
+Loop time of 0.0137405 on 1 procs for 1 steps with 512 atoms
 
-Performance: 0.951 ns/day, 25.225 hours/ns, 55.060 timesteps/s
-99.1% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.258 ns/day, 19.084 hours/ns, 72.777 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.018118   | 0.018118   | 0.018118   |   0.0 | 99.76
+Pair    | 0.013664   | 0.013664   | 0.013664   |   0.0 | 99.44
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 2.6941e-05 | 2.6941e-05 | 2.6941e-05 |   0.0 |  0.15
-Output  | 8.1062e-06 | 8.1062e-06 | 8.1062e-06 |   0.0 |  0.04
-Modify  | 2.1458e-06 | 2.1458e-06 | 2.1458e-06 |   0.0 |  0.01
-Other   |            | 6.914e-06  |            |       |  0.04
+Comm    | 4.2915e-05 | 4.2915e-05 | 4.2915e-05 |   0.0 |  0.31
+Output  | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 |   0.0 |  0.18
+Modify  | 2.3842e-07 | 2.3842e-07 | 2.3842e-07 |   0.0 |  0.00
+Other   |            | 8.821e-06  |            |       |  0.06
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -140,9 +140,9 @@ fix  		2 all deform 1 x scale 1.0001 remap x
 compute   	perfx all stress/atom NULL pair
 compute   	fx all reduce sum 		c_perfx[1] c_perfx[2] c_perfx[3] 		c_perfx[4] c_perfx[5] c_perfx[6]
 thermo_style	custom step lx ly lz xy xz yz 		c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
 run		10
-Memory usage per processor = 6.72955 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.105 | 8.105 | 8.105 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6] 
        6    21.727916    21.727916    21.727916            0            0            0 -4.5569391e-06 -9.3041736e-06 -3.863262e-06 5.3686749e-06 -1.5078216e-06 5.1674734e-06 
        7    21.728133    21.727916    21.727916            0            0            0 -2.4800435e-06 -9.5067314e-06 -2.1562734e-06 5.5972954e-06 -2.3715124e-06 3.9555507e-06 
@@ -155,20 +155,20 @@ Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
       14    21.729654    21.727916    21.727916            0            0            0    1023414.2    541206.18    541206.18 5.6537455e-06 -1.9222461e-06 4.3649131e-06 
       15    21.729871    21.727916    21.727916            0            0            0    1169613.3    618507.19    618507.19 5.5850663e-06 -2.204341e-06 6.1719985e-06 
       16    21.730089    21.727916    21.727916            0            0            0    1315811.8    695804.66    695804.66 -1.3406996e-05 2.5348334e-06 6.2581356e-06 
-Loop time of 0.199118 on 1 procs for 10 steps with 512 atoms
+Loop time of 0.15253 on 1 procs for 10 steps with 512 atoms
 
-Performance: 0.868 ns/day, 27.655 hours/ns, 50.221 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.133 ns/day, 21.185 hours/ns, 65.561 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.19755    | 0.19755    | 0.19755    |   0.0 | 99.21
+Pair    | 0.15014    | 0.15014    | 0.15014    |   0.0 | 98.44
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00027704 | 0.00027704 | 0.00027704 |   0.0 |  0.14
-Output  | 0.0011551  | 0.0011551  | 0.0011551  |   0.0 |  0.58
-Modify  | 7.8201e-05 | 7.8201e-05 | 7.8201e-05 |   0.0 |  0.04
-Other   |            | 5.865e-05  |            |       |  0.03
+Comm    | 0.00041151 | 0.00041151 | 0.00041151 |   0.0 |  0.27
+Output  | 0.0017772  | 0.0017772  | 0.0017772  |   0.0 |  1.17
+Modify  | 0.00014377 | 0.00014377 | 0.00014377 |   0.0 |  0.09
+Other   |            | 5.341e-05  |            |       |  0.04
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -191,7 +191,7 @@ compute   	perfz all stress/atom NULL pair
 compute   	fz all reduce sum 		c_perfz[1] c_perfz[2] c_perfz[3] 		c_perfz[4] c_perfz[5] c_perfz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
 run		10
-Memory usage per processor = 7.47955 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.855 | 8.855 | 8.855 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6] 
       16    21.730089    21.727916    21.727916            0            0            0    1462009.5    773098.59    773098.59 4.2549849e-06 -8.3746497e-07 7.0310015e-06 
       17    21.730089    21.727916    21.728133            0            0            0    1462009.5    773098.59    773098.59 5.1784721e-06 -2.3038152e-06 5.7172699e-06 
@@ -204,20 +204,20 @@ Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
       24    21.730089    21.727916    21.729654            0            0            0      2003022    1314132.4    1796319.1 2.3497113e-06 -2.3680104e-06 4.7932602e-06 
       25    21.730089    21.727916    21.729871            0            0            0    2080295.4    1391408.8    1942490.6 6.941166e-06 -1.1601937e-06 4.9355658e-06 
       26    21.730089    21.727916    21.730089            0            0            0    2157565.2    1468681.6    2088661.4 5.7633476e-06 -8.4264935e-07 4.0350137e-06 
-Loop time of 0.199616 on 1 procs for 10 steps with 512 atoms
+Loop time of 0.152854 on 1 procs for 10 steps with 512 atoms
 
-Performance: 0.866 ns/day, 27.724 hours/ns, 50.096 timesteps/s
-100.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.130 ns/day, 21.230 hours/ns, 65.422 timesteps/s
+98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.19798    | 0.19798    | 0.19798    |   0.0 | 99.18
+Pair    | 0.15047    | 0.15047    | 0.15047    |   0.0 | 98.44
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00028658 | 0.00028658 | 0.00028658 |   0.0 |  0.14
-Output  | 0.0012088  | 0.0012088  | 0.0012088  |   0.0 |  0.61
-Modify  | 7.987e-05  | 7.987e-05  | 7.987e-05  |   0.0 |  0.04
-Other   |            | 5.698e-05  |            |       |  0.03
+Comm    | 0.00043082 | 0.00043082 | 0.00043082 |   0.0 |  0.28
+Output  | 0.0017312  | 0.0017312  | 0.0017312  |   0.0 |  1.13
+Modify  | 0.00015283 | 0.00015283 | 0.00015283 |   0.0 |  0.10
+Other   |            | 7.296e-05  |            |       |  0.05
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -240,7 +240,7 @@ compute   	perfyz all stress/atom NULL pair
 compute   	fyz all reduce sum 		c_perfyz[1] c_perfyz[2] c_perfyz[3] 		c_perfyz[4] c_perfyz[5] c_perfyz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
 run		10
-Memory usage per processor = 8.24482 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 9.621 | 9.621 | 9.621 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6] 
       26    21.730089    21.727916    21.730089            0            0            0    2234831.5    1545950.9    2234831.5 4.8476018e-06 4.2828413e-07  5.75372e-06 
       27    21.730089    21.727916    21.730089            0            0 4.3460177e-07    2234831.5    1545950.9    2234831.5 5.088922e-06 -2.3012471e-06 5.6950612e-06 
@@ -253,20 +253,20 @@ Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
       34    21.730089    21.727916    21.730089            0            0 3.4768142e-06    2234831.5    1545950.9    2234831.5 4.8447261e-06 -1.9614792e-06    1705.6275 
       35    21.730089    21.727916    21.730089            0            0 3.911416e-06    2234831.5    1545950.9    2234831.5 5.1297449e-06 -2.114135e-06    1949.2885 
       36    21.730089    21.727916    21.730089            0            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 4.5571577e-06 -1.8415232e-06    2192.9496 
-Loop time of 0.199427 on 1 procs for 10 steps with 512 atoms
+Loop time of 0.149663 on 1 procs for 10 steps with 512 atoms
 
-Performance: 0.866 ns/day, 27.698 hours/ns, 50.144 timesteps/s
-100.3% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.155 ns/day, 20.787 hours/ns, 66.817 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.19785    | 0.19785    | 0.19785    |   0.0 | 99.21
+Pair    | 0.14745    | 0.14745    | 0.14745    |   0.0 | 98.52
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00027561 | 0.00027561 | 0.00027561 |   0.0 |  0.14
-Output  | 0.0011613  | 0.0011613  | 0.0011613  |   0.0 |  0.58
-Modify  | 7.6056e-05 | 7.6056e-05 | 7.6056e-05 |   0.0 |  0.04
-Other   |            | 6.199e-05  |            |       |  0.03
+Comm    | 0.00038886 | 0.00038886 | 0.00038886 |   0.0 |  0.26
+Output  | 0.0016539  | 0.0016539  | 0.0016539  |   0.0 |  1.11
+Modify  | 0.00012946 | 0.00012946 | 0.00012946 |   0.0 |  0.09
+Other   |            | 4.387e-05  |            |       |  0.03
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -289,7 +289,7 @@ compute   	perfxy all stress/atom NULL pair
 compute   	fxy all reduce sum 		c_perfxy[1] c_perfxy[2] c_perfxy[3] 		c_perfxy[4] c_perfxy[5] c_perfxy[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
 run		10
-Memory usage per processor = 8.99482 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.37 | 10.37 | 10.37 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6] 
       36    21.730089    21.727916    21.730089            0            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 5.1293854e-06 -1.6748595e-06    2436.6106 
       37    21.730089    21.727916    21.730089 4.3455832e-07            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 5.1236563e-06 -3.3624188e-06    2436.6106 
@@ -302,20 +302,20 @@ Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
       44    21.730089    21.727916    21.730089 3.4764665e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5     1705.531 -0.00091806693    2436.6106 
       45    21.730089    21.727916    21.730089 3.9110248e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5    1949.1783 -0.001049945    2436.6106 
       46    21.730089    21.727916    21.730089 4.3455832e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5    2192.8256 -0.0011787861    2436.6106 
-Loop time of 0.200513 on 1 procs for 10 steps with 512 atoms
+Loop time of 0.150095 on 1 procs for 10 steps with 512 atoms
 
-Performance: 0.862 ns/day, 27.849 hours/ns, 49.872 timesteps/s
-100.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.151 ns/day, 20.847 hours/ns, 66.624 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.19893    | 0.19893    | 0.19893    |   0.0 | 99.21
+Pair    | 0.14786    | 0.14786    | 0.14786    |   0.0 | 98.51
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00027752 | 0.00027752 | 0.00027752 |   0.0 |  0.14
-Output  | 0.0011744  | 0.0011744  | 0.0011744  |   0.0 |  0.59
-Modify  | 7.4387e-05 | 7.4387e-05 | 7.4387e-05 |   0.0 |  0.04
-Other   |            | 6.08e-05   |            |       |  0.03
+Comm    | 0.00038791 | 0.00038791 | 0.00038791 |   0.0 |  0.26
+Output  | 0.0016763  | 0.0016763  | 0.0016763  |   0.0 |  1.12
+Modify  | 0.00012708 | 0.00012708 | 0.00012708 |   0.0 |  0.08
+Other   |            | 4.101e-05  |            |       |  0.03
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -330,4 +330,4 @@ Total # of neighbors = 212992
 Ave neighs/atom = 416
 Neighbor list builds = 0
 Dangerous builds not checked
-Total wall time: 0:00:01
+Total wall time: 0:00:00
diff --git a/examples/comb/log.5Oct16.comb.Si.elastic.g++.4 b/examples/comb/log.27Nov18.comb.Si.elastic.g++.4
similarity index 79%
rename from examples/comb/log.5Oct16.comb.Si.elastic.g++.4
rename to examples/comb/log.27Nov18.comb.Si.elastic.g++.4
index b539f2ec17..96e7a86615 100644
--- a/examples/comb/log.5Oct16.comb.Si.elastic.g++.4
+++ b/examples/comb/log.27Nov18.comb.Si.elastic.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Si crystal, qeq off, calculates stress-strain, no out.*.cfg
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 512 atoms
+  Time spent = 0.000349045 secs
 mass		1 29.0
 change_box  	all triclinic
   triclinic box = (0 0 0) to (21.724 21.724 21.724) with tilt (0 0 0)
@@ -34,23 +36,28 @@ thermo_style	custom step temp etotal pe evdwl ecoul 		#lx ly lz vol pxx pyy pzz
 thermo_modify	norm yes
 thermo		1
 minimize	1.0e-14  1.0e-20  1000  10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 7.52233 Mbytes
+  binsize = 6.25, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 8.115 | 8.117 | 8.119 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul 
        0            1   -4.6295947   -4.6297237   -4.6297237            0 
        1            1   -4.6295965   -4.6297255   -4.6297255            0 
        2            1   -4.6295965   -4.6297255   -4.6297255            0 
        3            1   -4.6295965   -4.6297255   -4.6297255            0 
-Loop time of 0.0423422 on 4 procs for 3 steps with 512 atoms
+Loop time of 0.0321558 on 4 procs for 3 steps with 512 atoms
 
-97.4% CPU use with 4 MPI tasks x no OpenMP threads
+96.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -64,12 +71,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.026049   | 0.03263    | 0.041219   |   3.0 | 77.06
+Pair    | 0.018856   | 0.024412   | 0.030752   |   2.7 | 75.92
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00049615 | 0.0090721  | 0.015641   |   5.7 | 21.43
-Output  | 3.314e-05  | 3.5107e-05 | 4.1008e-05 |   0.1 |  0.08
+Comm    | 0.00067329 | 0.0070035  | 0.012553   |   5.0 | 21.78
+Output  | 2.9802e-05 | 3.8147e-05 | 6.2227e-05 |   0.0 |  0.12
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.0006052  |            |       |  1.43
+Other   |            | 0.0007022  |            |       |  2.18
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
@@ -88,32 +95,25 @@ min_modify	dmax 0.2 line quadratic
 
 unfix		1
 run		1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 20 steps, delay 0 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12.5
-  ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 5.89733 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 6.49 | 6.492 | 6.494 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul 
        3            1   -4.6295965   -4.6297255   -4.6297255            0 
        4            1   -4.6295965   -4.6297255   -4.6297255            0 
-Loop time of 0.00589204 on 4 procs for 1 steps with 512 atoms
+Loop time of 0.00449681 on 4 procs for 1 steps with 512 atoms
 
-Performance: 2.933 ns/day, 8.183 hours/ns, 169.721 timesteps/s
-101.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.843 ns/day, 6.246 hours/ns, 222.380 timesteps/s
+86.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.003751   | 0.0046486  | 0.0057852  |   1.1 | 78.90
+Pair    | 0.0026906  | 0.003392   | 0.0043435  |   1.0 | 75.43
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 7.391e-05  | 0.001206   | 0.0021     |   2.1 | 20.47
-Output  | 1.9073e-05 | 2.0742e-05 | 2.1935e-05 |   0.0 |  0.35
-Modify  | 0          | 7.1526e-07 | 1.9073e-06 |   0.1 |  0.01
-Other   |            | 1.597e-05  |            |       |  0.27
+Comm    | 0.00013089 | 0.0010685  | 0.0017493  |   1.8 | 23.76
+Output  | 1.6212e-05 | 1.9789e-05 | 2.7895e-05 |   0.0 |  0.44
+Modify  | 0          | 2.9802e-07 | 4.7684e-07 |   0.0 |  0.01
+Other   |            | 1.621e-05  |            |       |  0.36
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
@@ -138,9 +138,9 @@ fix  		2 all deform 1 x scale 1.0001 remap x
 compute   	perfx all stress/atom NULL pair
 compute   	fx all reduce sum 		c_perfx[1] c_perfx[2] c_perfx[3] 		c_perfx[4] c_perfx[5] c_perfx[6]
 thermo_style	custom step lx ly lz xy xz yz 		c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
 run		10
-Memory usage per processor = 6.64733 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.24 | 7.242 | 7.244 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6] 
        4    21.727916    21.727916    21.727916            0            0            0  0.036618297  0.036625051  0.036618342 -1.7136998e-07 -3.2302114e-06 -1.7543151e-06 
        5    21.728133    21.727916    21.727916            0            0            0  0.036618988  0.036625612  0.036619564 -1.1309366e-06 -2.412817e-06 -2.6316468e-06 
@@ -153,20 +153,20 @@ Step Lx Ly Lz Xy Xz Yz c_fx[1] c_fx[2] c_fx[3] c_fx[4] c_fx[5] c_fx[6]
       12    21.729654    21.727916    21.727916            0            0            0    1023414.2    541206.21    541206.21 -9.1665744e-07 -1.59238e-06 -7.7617215e-06 
       13    21.729871    21.727916    21.727916            0            0            0    1169613.4    618507.22    618507.22 -1.1565806e-06 -2.0309366e-06 -6.6873647e-06 
       14    21.730089    21.727916    21.727916            0            0            0    1315811.8    695804.69    695804.69 1.8915845e-06 7.7289624e-06 -6.2492306e-06 
-Loop time of 0.0653707 on 4 procs for 10 steps with 512 atoms
+Loop time of 0.0540967 on 4 procs for 10 steps with 512 atoms
 
-Performance: 2.643 ns/day, 9.079 hours/ns, 152.974 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.194 ns/day, 7.513 hours/ns, 184.854 timesteps/s
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.041152   | 0.050811   | 0.063103   |   3.5 | 77.73
+Pair    | 0.03044    | 0.038641   | 0.049502   |   3.5 | 71.43
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00078726 | 0.013075   | 0.02272    |   6.9 | 20.00
-Output  | 0.0013869  | 0.0014045  | 0.0014176  |   0.0 |  2.15
-Modify  | 2.9087e-05 | 3.32e-05   | 3.5048e-05 |   0.0 |  0.05
-Other   |            | 4.774e-05  |            |       |  0.07
+Comm    | 0.0010123  | 0.011967   | 0.020209   |   6.4 | 22.12
+Output  | 0.0033484  | 0.0033884  | 0.0034938  |   0.1 |  6.26
+Modify  | 3.7432e-05 | 4.5538e-05 | 5.2452e-05 |   0.0 |  0.08
+Other   |            | 5.442e-05  |            |       |  0.10
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
@@ -189,7 +189,7 @@ compute   	perfz all stress/atom NULL pair
 compute   	fz all reduce sum 		c_perfz[1] c_perfz[2] c_perfz[3] 		c_perfz[4] c_perfz[5] c_perfz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
 run		10
-Memory usage per processor = 7.39733 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 7.99 | 7.992 | 7.994 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6] 
       14    21.730089    21.727916    21.727916            0            0            0    1462009.6    773098.62    773098.62 -6.2271887e-07 -3.134065e-06 -1.4448086e-06 
       15    21.730089    21.727916    21.728133            0            0            0    1462009.6    773098.62    773098.62 -1.4749588e-06 -2.1972704e-06 -2.7974026e-06 
@@ -202,20 +202,20 @@ Step Lx Ly Lz Xy Xz Yz c_fz[1] c_fz[2] c_fz[3] c_fz[4] c_fz[5] c_fz[6]
       22    21.730089    21.727916    21.729654            0            0            0    2003022.1    1314132.4    1796319.1 -2.1981227e-06 -2.7285159e-06 -2.0486576e-06 
       23    21.730089    21.727916    21.729871            0            0            0    2080295.4    1391408.8    1942490.6 -3.6986662e-06 -2.430512e-06 -2.6914988e-06 
       24    21.730089    21.727916    21.730089            0            0            0    2157565.2    1468681.6    2088661.4 -7.1345705e-06 -2.6113355e-06 -1.261254e-06 
-Loop time of 0.065423 on 4 procs for 10 steps with 512 atoms
+Loop time of 0.0533404 on 4 procs for 10 steps with 512 atoms
 
-Performance: 2.641 ns/day, 9.087 hours/ns, 152.851 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.240 ns/day, 7.408 hours/ns, 187.475 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.041187   | 0.050801   | 0.063128   |   3.5 | 77.65
+Pair    | 0.030974   | 0.038825   | 0.04982    |   3.5 | 72.79
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00077367 | 0.013104   | 0.022709   |   6.9 | 20.03
-Output  | 0.0014305  | 0.0014462  | 0.0014589  |   0.0 |  2.21
-Modify  | 2.0504e-05 | 2.7299e-05 | 3.1233e-05 |   0.1 |  0.04
-Other   |            | 4.494e-05  |            |       |  0.07
+Comm    | 0.0017583  | 0.012849   | 0.020708   |   6.1 | 24.09
+Output  | 0.0015182  | 0.0015638  | 0.0016725  |   0.2 |  2.93
+Modify  | 4.1723e-05 | 4.7386e-05 | 5.3883e-05 |   0.0 |  0.09
+Other   |            | 5.519e-05  |            |       |  0.10
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
@@ -238,7 +238,7 @@ compute   	perfyz all stress/atom NULL pair
 compute   	fyz all reduce sum 		c_perfyz[1] c_perfyz[2] c_perfyz[3] 		c_perfyz[4] c_perfyz[5] c_perfyz[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
 run		10
-Memory usage per processor = 8.16262 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.755 | 8.757 | 8.759 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6] 
       24    21.730089    21.727916    21.730089            0            0            0    2234831.5    1545950.9    2234831.5 -3.9610575e-06 -3.188829e-06 -5.7973926e-07 
       25    21.730089    21.727916    21.730089            0            0 4.3460177e-07    2234831.5    1545950.9    2234831.5 -4.4960939e-06 -2.549801e-06 -1.5603844e-06 
@@ -251,20 +251,20 @@ Step Lx Ly Lz Xy Xz Yz c_fyz[1] c_fyz[2] c_fyz[3] c_fyz[4] c_fyz[5] c_fyz[6]
       32    21.730089    21.727916    21.730089            0            0 3.4768142e-06    2234831.5    1545950.9    2234831.5 -6.62009e-06 -8.621625e-06    1705.6275 
       33    21.730089    21.727916    21.730089            0            0 3.911416e-06    2234831.5    1545950.9    2234831.5 -6.712501e-06 -8.7315457e-06    1949.2885 
       34    21.730089    21.727916    21.730089            0            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 -6.3958831e-06 -7.1670331e-06    2192.9496 
-Loop time of 0.0656388 on 4 procs for 10 steps with 512 atoms
+Loop time of 0.0527849 on 4 procs for 10 steps with 512 atoms
 
-Performance: 2.633 ns/day, 9.116 hours/ns, 152.349 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.274 ns/day, 7.331 hours/ns, 189.448 timesteps/s
+96.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.040685   | 0.050668   | 0.063339   |   3.6 | 77.19
+Pair    | 0.031353   | 0.038631   | 0.04922    |   3.3 | 73.19
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00077748 | 0.013466   | 0.023423   |   7.0 | 20.52
-Output  | 0.0013893  | 0.0014307  | 0.001461   |   0.1 |  2.18
-Modify  | 2.1935e-05 | 2.6524e-05 | 3.0994e-05 |   0.1 |  0.04
-Other   |            | 4.733e-05  |            |       |  0.07
+Comm    | 0.0018575  | 0.012532   | 0.019807   |   5.9 | 23.74
+Output  | 0.0014849  | 0.0015269  | 0.0016224  |   0.1 |  2.89
+Modify  | 3.624e-05  | 4.2975e-05 | 5.0306e-05 |   0.0 |  0.08
+Other   |            | 5.269e-05  |            |       |  0.10
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
@@ -287,7 +287,7 @@ compute   	perfxy all stress/atom NULL pair
 compute   	fxy all reduce sum 		c_perfxy[1] c_perfxy[2] c_perfxy[3] 		c_perfxy[4] c_perfxy[5] c_perfxy[6]
 thermo_style	custom  step lx ly lz xy xz yz 		c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
 run		10
-Memory usage per processor = 8.91262 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 9.505 | 9.507 | 9.509 Mbytes
 Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6] 
       34    21.730089    21.727916    21.730089            0            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 -6.1581426e-06 -1.1350015e-05    2436.6106 
       35    21.730089    21.727916    21.730089 4.3455832e-07            0 4.3460177e-06    2234831.5    1545950.9    2234831.5 -6.7014652e-06 -1.1032048e-05    2436.6106 
@@ -300,20 +300,20 @@ Step Lx Ly Lz Xy Xz Yz c_fxy[1] c_fxy[2] c_fxy[3] c_fxy[4] c_fxy[5] c_fxy[6]
       42    21.730089    21.727916    21.730089 3.4764665e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5     1705.531 -0.00093156087    2436.6106 
       43    21.730089    21.727916    21.730089 3.9110248e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5    1949.1783 -0.0010618138    2436.6106 
       44    21.730089    21.727916    21.730089 4.3455832e-06            0 4.3460177e-06    2234831.5    1545950.9    2234831.5    2192.8256 -0.0011926577    2436.6106 
-Loop time of 0.0657181 on 4 procs for 10 steps with 512 atoms
+Loop time of 0.0532025 on 4 procs for 10 steps with 512 atoms
 
-Performance: 2.629 ns/day, 9.128 hours/ns, 152.165 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3.248 ns/day, 7.389 hours/ns, 187.961 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.040015   | 0.050405   | 0.063468   |   3.7 | 76.70
+Pair    | 0.031092   | 0.039043   | 0.049599   |   3.4 | 73.39
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00079203 | 0.013852   | 0.024224   |   7.1 | 21.08
-Output  | 0.0013652  | 0.001386   | 0.0014119  |   0.1 |  2.11
-Modify  | 2.0981e-05 | 2.5392e-05 | 3.2902e-05 |   0.1 |  0.04
-Other   |            | 4.965e-05  |            |       |  0.08
+Comm    | 0.0009048  | 0.012022   | 0.020445   |   6.4 | 22.60
+Output  | 0.0015302  | 0.0020386  | 0.0026102  |   1.1 |  3.83
+Modify  | 3.8862e-05 | 4.4942e-05 | 5.1498e-05 |   0.0 |  0.08
+Other   |            | 5.406e-05  |            |       |  0.10
 
 Nlocal:    128 ave 164 max 100 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
diff --git a/examples/comb/log.5Oct16.comb.Si.g++.1 b/examples/comb/log.27Nov18.comb.Si.g++.1
similarity index 80%
rename from examples/comb/log.5Oct16.comb.Si.g++.1
rename to examples/comb/log.27Nov18.comb.Si.g++.1
index 517c7ba306..1a37d41a9a 100644
--- a/examples/comb/log.5Oct16.comb.Si.g++.1
+++ b/examples/comb/log.27Nov18.comb.Si.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Si crystal, structure created by LAMMPS, qeq off
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (21.72 21.72 21.72)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 512 atoms
+  Time spent = 0.000380754 secs
 mass		1 29.0
 
 pair_style	comb
@@ -42,13 +44,18 @@ thermo	  	1
 
 run  		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 1 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 6.47955 Mbytes
+  binsize = 6.25, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.855 | 7.855 | 7.855 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
        0         10.1   -4.6284152   -4.6297182   -4.6297182            0    1140.7851    10246.592        21.72        21.72        21.72            0 
        1    10.097843   -4.6284152   -4.6297179   -4.6297179            0    1140.8131    10246.592        21.72        21.72        21.72            0 
@@ -61,20 +68,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz
        8    9.9628496   -4.6284152   -4.6297005   -4.6297005            0    1142.5666    10246.592        21.72        21.72        21.72            0 
        9    9.9267173   -4.6284152   -4.6296958   -4.6296958            0    1143.0353    10246.592        21.72        21.72        21.72            0 
       10    9.8864817   -4.6284152   -4.6296906   -4.6296906            0    1143.5568    10246.592        21.72        21.72        21.72            0 
-Loop time of 0.187379 on 1 procs for 10 steps with 512 atoms
+Loop time of 0.135568 on 1 procs for 10 steps with 512 atoms
 
-Performance: 0.922 ns/day, 26.025 hours/ns, 53.368 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1.275 ns/day, 18.829 hours/ns, 73.764 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.18685    | 0.18685    | 0.18685    |   0.0 | 99.72
+Pair    | 0.13472    | 0.13472    | 0.13472    |   0.0 | 99.37
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00025797 | 0.00025797 | 0.00025797 |   0.0 |  0.14
-Output  | 0.00011826 | 0.00011826 | 0.00011826 |   0.0 |  0.06
-Modify  | 8.297e-05  | 8.297e-05  | 8.297e-05  |   0.0 |  0.04
-Other   |            | 7.2e-05    |            |       |  0.04
+Comm    | 0.00044823 | 0.00044823 | 0.00044823 |   0.0 |  0.33
+Output  | 0.00023055 | 0.00023055 | 0.00023055 |   0.0 |  0.17
+Modify  | 8.7976e-05 | 8.7976e-05 | 8.7976e-05 |   0.0 |  0.06
+Other   |            | 8.512e-05  |            |       |  0.06
 
 Nlocal:    512 ave 512 max 512 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/comb/log.5Oct16.comb.Si.g++.4 b/examples/comb/log.27Nov18.comb.Si.g++.4
similarity index 80%
rename from examples/comb/log.5Oct16.comb.Si.g++.4
rename to examples/comb/log.27Nov18.comb.Si.g++.4
index 0c91786f20..2cbe145f85 100644
--- a/examples/comb/log.5Oct16.comb.Si.g++.4
+++ b/examples/comb/log.27Nov18.comb.Si.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pure Si crystal, structure created by LAMMPS, qeq off
 
 units		metal
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 0) to (21.72 21.72 21.72)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 512 atoms
+  Time spent = 0.000349522 secs
 mass		1 29.0
 
 pair_style	comb
@@ -42,13 +44,18 @@ thermo	  	1
 
 run  		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 1 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12.5
   ghost atom cutoff = 12.5
-  binsize = 6.25 -> bins = 4 4 4
-Memory usage per processor = 6.39352 Mbytes
+  binsize = 6.25, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 6.99 | 6.99 | 6.99 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
        0         10.1   -4.6284152   -4.6297182   -4.6297182            0    1140.7851    10246.592        21.72        21.72        21.72            0 
        1    10.097841   -4.6284152   -4.6297179   -4.6297179            0    1140.8134    10246.592        21.72        21.72        21.72            0 
@@ -61,20 +68,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz
        8    9.9627224   -4.6284152   -4.6297005   -4.6297005            0    1142.5835    10246.592        21.72        21.72        21.72            0 
        9    9.9265602   -4.6284152   -4.6296958   -4.6296958            0    1143.0565    10246.592        21.72        21.72        21.72            0 
       10    9.8862927   -4.6284152   -4.6296906   -4.6296906            0    1143.5829    10246.592        21.72        21.72        21.72            0 
-Loop time of 0.0527902 on 4 procs for 10 steps with 512 atoms
+Loop time of 0.0424338 on 4 procs for 10 steps with 512 atoms
 
-Performance: 3.273 ns/day, 7.332 hours/ns, 189.429 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 4.072 ns/day, 5.894 hours/ns, 235.661 timesteps/s
+93.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.045993   | 0.047917   | 0.051259   |   0.9 | 90.77
+Pair    | 0.034115   | 0.035889   | 0.040149   |   1.3 | 84.58
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0010545  | 0.0044153  | 0.0063219  |   3.0 |  8.36
-Output  | 0.00030351 | 0.00033081 | 0.00036931 |   0.1 |  0.63
-Modify  | 2.3365e-05 | 2.6286e-05 | 2.8372e-05 |   0.0 |  0.05
-Other   |            | 0.0001011  |            |       |  0.19
+Comm    | 0.0015998  | 0.0058764  | 0.0076761  |   3.2 | 13.85
+Output  | 0.00023532 | 0.00029427 | 0.00042939 |   0.0 |  0.69
+Modify  | 2.7418e-05 | 2.9385e-05 | 3.1948e-05 |   0.0 |  0.07
+Other   |            | 0.0003446  |            |       |  0.81
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/comb/log.5Oct16.comb3.g++.1 b/examples/comb/log.27Nov18.comb3.g++.1
similarity index 77%
rename from examples/comb/log.5Oct16.comb3.g++.1
rename to examples/comb/log.27Nov18.comb3.g++.1
index d6342dbf54..10120130d1 100644
--- a/examples/comb/log.5Oct16.comb3.g++.1
+++ b/examples/comb/log.27Nov18.comb3.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Graphene-OH on Cu2O (110) surface
 
 units		metal
@@ -40,18 +41,23 @@ velocity	all create 300.0 2398378
 thermo	  	10
 run  		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 4 6
-Memory usage per processor = 4.95036 Mbytes
+  binsize = 6.5, bins = 4 4 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb3, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 12.04 | 12.04 | 12.04 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz 
        0          300   -4.5167776   -4.5554988   -3.9875717  -0.56792713   -19801.669    17719.012         21.3         24.6      33.8162 
       10    467.10265   -4.5167723   -4.5770615   -4.0093169  -0.56774462    -15438.86    17719.012         21.3         24.6      33.8162 
       20    732.82159   -4.5169309   -4.6115167   -4.0435338  -0.56798291   -12197.607    17719.012         21.3         24.6      33.8162 
-      30    906.42366    -4.517088   -4.6340807   -4.0657272  -0.56835345   -8825.2434    17719.012         21.3         24.6      33.8162 
+      30    906.42367    -4.517088   -4.6340807   -4.0657272  -0.56835345   -8825.2434    17719.012         21.3         24.6      33.8162 
       40    957.57065   -4.5172533   -4.6408475   -4.0717295  -0.56911807   -12551.812    17719.012         21.3         24.6      33.8162 
       50    920.31413    -4.517436   -4.6362215   -4.0660108  -0.57021068   -11911.093    17719.012         21.3         24.6      33.8162 
       60       1003.2   -4.5176403    -4.647124   -4.0757679  -0.57135607    1337.5658    17719.012         21.3         24.6      33.8162 
@@ -59,20 +65,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz
       80    1188.3196    -4.518095   -4.6714721   -4.0978283  -0.57364387    12411.934    17719.012         21.3         24.6      33.8162 
       90    1193.9207   -4.5183329    -4.672433   -4.0976379  -0.57479504    15405.848    17719.012         21.3         24.6      33.8162 
      100     1197.343   -4.5185478   -4.6730896   -4.0971431  -0.57594648    17853.038    17719.012         21.3         24.6      33.8162 
-Loop time of 44.821 on 1 procs for 100 steps with 682 atoms
+Loop time of 32.3303 on 1 procs for 100 steps with 682 atoms
 
-Performance: 0.039 ns/day, 622.513 hours/ns, 2.231 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.053 ns/day, 449.032 hours/ns, 3.093 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 10.702     | 10.702     | 10.702     |   0.0 | 23.88
+Pair    | 8.3833     | 8.3833     | 8.3833     |   0.0 | 25.93
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0028968  | 0.0028968  | 0.0028968  |   0.0 |  0.01
-Output  | 0.00018311 | 0.00018311 | 0.00018311 |   0.0 |  0.00
-Modify  | 34.115     | 34.115     | 34.115     |   0.0 | 76.11
-Other   |            | 0.001503   |            |       |  0.00
+Comm    | 0.003716   | 0.003716   | 0.003716   |   0.0 |  0.01
+Output  | 0.00026011 | 0.00026011 | 0.00026011 |   0.0 |  0.00
+Modify  | 23.942     | 23.942     | 23.942     |   0.0 | 74.05
+Other   |            | 0.001301   |            |       |  0.00
 
 Nlocal:    682 ave 682 max 682 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -87,4 +93,4 @@ Total # of neighbors = 355216
 Ave neighs/atom = 520.845
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:47
+Total wall time: 0:00:34
diff --git a/examples/comb/log.5Oct16.comb3.g++.4 b/examples/comb/log.27Nov18.comb3.g++.4
similarity index 79%
rename from examples/comb/log.5Oct16.comb3.g++.4
rename to examples/comb/log.27Nov18.comb3.g++.4
index 39c032b9c5..2e87771f1f 100644
--- a/examples/comb/log.5Oct16.comb3.g++.4
+++ b/examples/comb/log.27Nov18.comb3.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Graphene-OH on Cu2O (110) surface
 
 units		metal
@@ -40,13 +41,18 @@ velocity	all create 300.0 2398378
 thermo	  	10
 run  		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 4 6
-Memory usage per processor = 4.95436 Mbytes
+  binsize = 6.5, bins = 4 4 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair comb3, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 8.978 | 9.688 | 10.4 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz 
        0          300   -4.5167776   -4.5554988   -3.9875717  -0.56792713   -19801.669    17719.012         21.3         24.6      33.8162 
       10    467.10265   -4.5167723   -4.5770615   -4.0093169  -0.56774462    -15438.86    17719.012         21.3         24.6      33.8162 
@@ -59,20 +65,20 @@ Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz
       80    1188.3196    -4.518095   -4.6714721   -4.0978283  -0.57364387    12411.934    17719.012         21.3         24.6      33.8162 
       90    1193.9207   -4.5183329    -4.672433   -4.0976379  -0.57479504    15405.848    17719.012         21.3         24.6      33.8162 
      100     1197.343   -4.5185478   -4.6730896   -4.0971431  -0.57594648    17853.038    17719.012         21.3         24.6      33.8162 
-Loop time of 20.2521 on 4 procs for 100 steps with 682 atoms
+Loop time of 15.9617 on 4 procs for 100 steps with 682 atoms
 
-Performance: 0.085 ns/day, 281.279 hours/ns, 4.938 timesteps/s
-99.0% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.108 ns/day, 221.691 hours/ns, 6.265 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.1898     | 3.3988     | 4.7081     |  65.6 | 16.78
+Pair    | 2.2602     | 3.3385     | 4.4367     |  57.4 | 20.92
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.013637   | 1.3219     | 2.5298     | 105.1 |  6.53
-Output  | 0.00034475 | 0.00035816 | 0.00038099 |   0.1 |  0.00
-Modify  | 15.528     | 15.528     | 15.529     |   0.0 | 76.68
-Other   |            | 0.002504   |            |       |  0.01
+Comm    | 0.09019    | 1.1876     | 2.265      |  96.2 |  7.44
+Output  | 0.00035334 | 0.0005967  | 0.0013168  |   0.0 |  0.00
+Modify  | 11.432     | 11.432     | 11.432     |   0.0 | 71.62
+Other   |            | 0.002874   |            |       |  0.02
 
 Nlocal:    170.5 ave 245 max 100 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
@@ -87,4 +93,4 @@ Total # of neighbors = 355216
 Ave neighs/atom = 520.845
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:21
+Total wall time: 0:00:16

From 296cab0b092be321983e6b96df20f388a30c89e1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 15:40:14 -0500
Subject: [PATCH 209/273] update log files for controller example

---
 ...ler.g++.1 => log.27Nov18.controller.g++.1} | 53 +++++++++++--------
 ...ler.g++.4 => log.27Nov18.controller.g++.4} | 53 +++++++++++--------
 2 files changed, 60 insertions(+), 46 deletions(-)
 rename examples/controller/{log.5Oct16.controller.g++.1 => log.27Nov18.controller.g++.1} (81%)
 rename examples/controller/{log.5Oct16.controller.g++.4 => log.27Nov18.controller.g++.4} (81%)

diff --git a/examples/controller/log.5Oct16.controller.g++.1 b/examples/controller/log.27Nov18.controller.g++.1
similarity index 81%
rename from examples/controller/log.5Oct16.controller.g++.1
rename to examples/controller/log.27Nov18.controller.g++.1
index 5b30a14007..64b9beda3b 100644
--- a/examples/controller/log.5Oct16.controller.g++.1
+++ b/examples/controller/log.27Nov18.controller.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt, thermostatted by fix controller
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.00062418 secs
 mass		1 1.0
 
 velocity	all create 1.44 87287 loop geom
@@ -32,13 +34,18 @@ fix             tstat all langevin v_tcontrol 0.5 0.5 2938940
 thermo          50
 run		500
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.19271 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44   -6.7733681            0   -4.6139081   -5.0199732 
       50   0.61784238   -5.9328913            0   -5.0063594   -0.8309723 
@@ -51,20 +58,20 @@ Step Temp E_pair E_mol TotEng Press
      400   0.49885979    -6.157314            0   -5.4092114   -2.1544075 
      450   0.50261633   -6.1458076            0   -5.3920716   -2.1080502 
      500   0.51198903   -6.1441158            0   -5.3763242   -2.0677941 
-Loop time of 1.51804 on 1 procs for 500 steps with 4000 atoms
+Loop time of 1.55006 on 1 procs for 500 steps with 4000 atoms
 
-Performance: 142288.277 tau/day, 329.371 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 139349.249 tau/day, 322.568 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.2152     | 1.2152     | 1.2152     |   0.0 | 80.05
-Neigh   | 0.16464    | 0.16464    | 0.16464    |   0.0 | 10.85
-Comm    | 0.022342   | 0.022342   | 0.022342   |   0.0 |  1.47
-Output  | 0.00020981 | 0.00020981 | 0.00020981 |   0.0 |  0.01
-Modify  | 0.10936    | 0.10936    | 0.10936    |   0.0 |  7.20
-Other   |            | 0.006292   |            |       |  0.41
+Pair    | 1.2115     | 1.2115     | 1.2115     |   0.0 | 78.16
+Neigh   | 0.18784    | 0.18784    | 0.18784    |   0.0 | 12.12
+Comm    | 0.027217   | 0.027217   | 0.027217   |   0.0 |  1.76
+Output  | 0.00033712 | 0.00033712 | 0.00033712 |   0.0 |  0.02
+Modify  | 0.1171     | 0.1171     | 0.1171     |   0.0 |  7.55
+Other   |            | 0.006078   |            |       |  0.39
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -90,7 +97,7 @@ fix             10 all controller 100 1.0 0.5 0.0 0.0                 c_thermo_t
 # run with controller
 
 run             2500
-Memory usage per processor = 2.19271 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      500   0.51198903   -6.1441158            0   -5.3763242   -2.0677941 
      550   0.50342035   -6.1446822            0   -5.3897404   -2.0872641 
@@ -143,20 +150,20 @@ Step Temp E_pair E_mol TotEng Press
     2900    1.5287303   -4.8393493            0    -2.546827    5.3276564 
     2950    1.5175567   -4.8779763            0   -2.6022104    5.1592321 
     3000    1.5038518   -4.8714664            0   -2.6162526    5.1494048 
-Loop time of 7.82673 on 1 procs for 2500 steps with 4000 atoms
+Loop time of 7.9877 on 1 procs for 2500 steps with 4000 atoms
 
-Performance: 137988.733 tau/day, 319.418 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 135207.915 tau/day, 312.981 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 6.2774     | 6.2774     | 6.2774     |   0.0 | 80.21
-Neigh   | 0.85491    | 0.85491    | 0.85491    |   0.0 | 10.92
-Comm    | 0.11304    | 0.11304    | 0.11304    |   0.0 |  1.44
-Output  | 0.00090504 | 0.00090504 | 0.00090504 |   0.0 |  0.01
-Modify  | 0.55013    | 0.55013    | 0.55013    |   0.0 |  7.03
-Other   |            | 0.0303     |            |       |  0.39
+Pair    | 6.2628     | 6.2628     | 6.2628     |   0.0 | 78.41
+Neigh   | 0.97669    | 0.97669    | 0.97669    |   0.0 | 12.23
+Comm    | 0.13389    | 0.13389    | 0.13389    |   0.0 |  1.68
+Output  | 0.0015631  | 0.0015631  | 0.0015631  |   0.0 |  0.02
+Modify  | 0.58344    | 0.58344    | 0.58344    |   0.0 |  7.30
+Other   |            | 0.02927    |            |       |  0.37
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/controller/log.5Oct16.controller.g++.4 b/examples/controller/log.27Nov18.controller.g++.4
similarity index 81%
rename from examples/controller/log.5Oct16.controller.g++.4
rename to examples/controller/log.27Nov18.controller.g++.4
index 21e1f58f36..9584c0a8a0 100644
--- a/examples/controller/log.5Oct16.controller.g++.4
+++ b/examples/controller/log.27Nov18.controller.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt, thermostatted by fix controller
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000405788 secs
 mass		1 1.0
 
 velocity	all create 1.44 87287 loop geom
@@ -32,13 +34,18 @@ fix             tstat all langevin v_tcontrol 0.5 0.5 2938940
 thermo          50
 run		500
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.10344 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44   -6.7733681            0   -4.6139081   -5.0199732 
       50   0.61546984   -5.9273631            0   -5.0043892  -0.80234884 
@@ -51,20 +58,20 @@ Step Temp E_pair E_mol TotEng Press
      400   0.50869337   -6.1435002            0   -5.3806509   -2.0654599 
      450   0.50821435   -6.1436659            0    -5.381535   -2.0660991 
      500   0.51057155    -6.138733            0   -5.3730671   -2.0305015 
-Loop time of 0.474689 on 4 procs for 500 steps with 4000 atoms
+Loop time of 0.469437 on 4 procs for 500 steps with 4000 atoms
 
-Performance: 455034.992 tau/day, 1053.322 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 460125.812 tau/day, 1065.106 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.31692    | 0.32816    | 0.35039    |   2.3 | 69.13
-Neigh   | 0.042872   | 0.044288   | 0.046693   |   0.7 |  9.33
-Comm    | 0.043676   | 0.070658   | 0.084897   |   6.0 | 14.89
-Output  | 0.00025439 | 0.0002867  | 0.00030446 |   0.1 |  0.06
-Modify  | 0.02728    | 0.028604   | 0.030571   |   0.8 |  6.03
-Other   |            | 0.002697   |            |       |  0.57
+Pair    | 0.31917    | 0.32582    | 0.32979    |   0.7 | 69.41
+Neigh   | 0.048915   | 0.051251   | 0.053828   |   0.8 | 10.92
+Comm    | 0.054731   | 0.059151   | 0.069726   |   2.5 | 12.60
+Output  | 0.00028014 | 0.00033808 | 0.00048709 |   0.0 |  0.07
+Modify  | 0.02967    | 0.031206   | 0.033305   |   0.8 |  6.65
+Other   |            | 0.00167    |            |       |  0.36
 
 Nlocal:    1000 ave 1027 max 969 min
 Histogram: 1 0 0 1 0 0 0 0 1 1
@@ -90,7 +97,7 @@ fix             10 all controller 100 1.0 0.5 0.0 0.0                 c_thermo_t
 # run with controller
 
 run             2500
-Memory usage per processor = 2.10344 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      500   0.51057155    -6.138733            0   -5.3730671   -2.0305015 
      550   0.50420106   -6.1501845            0    -5.394072    -2.095219 
@@ -143,20 +150,20 @@ Step Temp E_pair E_mol TotEng Press
     2900    1.4994026   -4.8400966            0    -2.591555    5.3231654 
     2950    1.5057915   -4.8842358            0   -2.6261131    5.1645778 
     3000    1.5038806   -4.8661399            0    -2.610883    5.2228747 
-Loop time of 2.33203 on 4 procs for 2500 steps with 4000 atoms
+Loop time of 2.39888 on 4 procs for 2500 steps with 4000 atoms
 
-Performance: 463116.726 tau/day, 1072.029 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 450209.527 tau/day, 1042.152 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.6173     | 1.6621     | 1.7135     |   3.2 | 71.27
-Neigh   | 0.2201     | 0.22394    | 0.23011    |   0.9 |  9.60
-Comm    | 0.22619    | 0.29012    | 0.33801    |   8.8 | 12.44
-Output  | 0.001302   | 0.0013426  | 0.0013707  |   0.1 |  0.06
-Modify  | 0.13805    | 0.14195    | 0.14664    |   0.9 |  6.09
-Other   |            | 0.01257    |            |       |  0.54
+Pair    | 1.6469     | 1.6659     | 1.7027     |   1.7 | 69.45
+Neigh   | 0.25338    | 0.26008    | 0.26833    |   1.2 | 10.84
+Comm    | 0.24458    | 0.30644    | 0.33939    |   6.6 | 12.77
+Output  | 0.0012605  | 0.0020466  | 0.0043511  |   2.9 |  0.09
+Modify  | 0.15009    | 0.15611    | 0.16933    |   2.0 |  6.51
+Other   |            | 0.008278   |            |       |  0.35
 
 Nlocal:    1000 ave 1014 max 988 min
 Histogram: 2 0 0 0 0 0 0 0 1 1

From 98c8f220465e1f34321e6b8885d5d4b27d682293 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 15:56:58 -0500
Subject: [PATCH 210/273] update log files for coreshell examples

---
 ....g++.1 => log.27Nov18.coreshell.dsf.g++.1} |  58 ++--
 ....g++.4 => log.27Nov18.coreshell.dsf.g++.4} |  52 ++--
 .../coreshell/log.27Nov18.coreshell.g++.1     | 218 ++++++++++++++
 .../coreshell/log.27Nov18.coreshell.g++.4     | 218 ++++++++++++++
 .../log.27Nov18.coreshell.thermostats.g++.1   | 278 ++++++++++++++++++
 .../log.27Nov18.coreshell.thermostats.g++.4   | 278 ++++++++++++++++++
 ...g++.1 => log.27Nov18.coreshell.wolf.g++.1} | 107 +++----
 ...g++.4 => log.27Nov18.coreshell.wolf.g++.4} | 103 +++----
 examples/coreshell/log.5Oct16.coreshell.g++.1 | 209 -------------
 examples/coreshell/log.5Oct16.coreshell.g++.4 | 209 -------------
 10 files changed, 1157 insertions(+), 573 deletions(-)
 rename examples/coreshell/{log.9Nov16.coreshell.dsf.g++.1 => log.27Nov18.coreshell.dsf.g++.1} (84%)
 rename examples/coreshell/{log.9Nov16.coreshell.dsf.g++.4 => log.27Nov18.coreshell.dsf.g++.4} (85%)
 create mode 100644 examples/coreshell/log.27Nov18.coreshell.g++.1
 create mode 100644 examples/coreshell/log.27Nov18.coreshell.g++.4
 create mode 100644 examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1
 create mode 100644 examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4
 rename examples/coreshell/{log.22Sep17.coreshell.wolf.g++.1 => log.27Nov18.coreshell.wolf.g++.1} (51%)
 rename examples/coreshell/{log.22Sep17.coreshell.wolf.g++.4 => log.27Nov18.coreshell.wolf.g++.4} (54%)
 delete mode 100644 examples/coreshell/log.5Oct16.coreshell.g++.1
 delete mode 100644 examples/coreshell/log.5Oct16.coreshell.g++.4

diff --git a/examples/coreshell/log.9Nov16.coreshell.dsf.g++.1 b/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1
similarity index 84%
rename from examples/coreshell/log.9Nov16.coreshell.dsf.g++.1
rename to examples/coreshell/log.27Nov18.coreshell.dsf.g++.1
index f58970fff0..12fd548f02 100644
--- a/examples/coreshell/log.9Nov16.coreshell.dsf.g++.1
+++ b/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (27 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Testsystem for core-shell model compared to Mitchel and Finchham
 # Hendrik Heenen, June 2014
 
@@ -68,12 +69,17 @@ thermo_modify temp CSequ
 
 velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CSequ
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 22
   ghost atom cutoff = 22
-  binsize = 11 -> bins = 3 3 3
+  binsize = 11, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair born/coul/dsf/cs, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 velocity all scale 1427 temp CSequ
 
 fix thermoberendsen all temp/berendsen 1427 1427 0.4
@@ -84,7 +90,7 @@ fix_modify thermoberendsen temp CSequ
 
 timestep 0.002
 run 500
-Memory usage per processor = 7.04355 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.59 | 8.59 | 8.59 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
        0   -635.80596   -675.46362    39.657659         1427   -21302.622   -675.46362    1.6320365   -677.09565            0            0 1.3517686e-14 2.942091e-15      13990.5 
       50    -633.9898   -666.02679     32.03699    1152.7858   -4578.5681   -668.50431    37.800204   -706.30452            0    2.4775226    14.568073    4.3012389      13990.5 
@@ -97,21 +103,21 @@ Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fm
      400   -625.02586   -661.46042    36.434568    1311.0236    -868.2031   -664.40231     43.21398   -707.61629            0    2.9418875    14.945389    2.7493413      13990.5 
      450    -624.3278   -660.50844    36.180639    1301.8865   -2203.3944   -663.49896    40.008669   -703.50763            0    2.9905179    14.158866    1.7299899      13990.5 
      500   -623.56254   -661.33839    37.775849    1359.2869   -810.50736   -664.11652    42.993999   -707.11052            0    2.7781274     13.68709    2.9115277      13990.5 
-Loop time of 10.7162 on 1 procs for 500 steps with 432 atoms
+Loop time of 8.43387 on 1 procs for 500 steps with 432 atoms
 
-Performance: 8.063 ns/day, 2.977 hours/ns, 46.658 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 10.244 ns/day, 2.343 hours/ns, 59.285 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 10.478     | 10.478     | 10.478     |   0.0 | 97.78
-Bond    | 0.0029511  | 0.0029511  | 0.0029511  |   0.0 |  0.03
-Neigh   | 0.14159    | 0.14159    | 0.14159    |   0.0 |  1.32
-Comm    | 0.074382   | 0.074382   | 0.074382   |   0.0 |  0.69
-Output  | 0.00054097 | 0.00054097 | 0.00054097 |   0.0 |  0.01
-Modify  | 0.010588   | 0.010588   | 0.010588   |   0.0 |  0.10
-Other   |            | 0.007748   |            |       |  0.07
+Pair    | 8.1175     | 8.1175     | 8.1175     |   0.0 | 96.25
+Bond    | 0.0019796  | 0.0019796  | 0.0019796  |   0.0 |  0.02
+Neigh   | 0.21242    | 0.21242    | 0.21242    |   0.0 |  2.52
+Comm    | 0.085533   | 0.085533   | 0.085533   |   0.0 |  1.01
+Output  | 0.00041103 | 0.00041103 | 0.00041103 |   0.0 |  0.00
+Modify  | 0.012187   | 0.012187   | 0.012187   |   0.0 |  0.14
+Other   |            | 0.003863   |            |       |  0.05
 
 Nlocal:    432 ave 432 max 432 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -131,7 +137,7 @@ unfix thermoberendsen
 # ------------------------ Dynamic Run -------------------------------
 
 run 1000
-Memory usage per processor = 7.04355 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.59 | 8.59 | 8.59 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
      500   -623.56254   -661.33839    37.775849    1359.2869   -810.50736   -664.11652    42.993999   -707.11052            0    2.7781274     13.68709    2.9115277      13990.5 
      550    -623.5004   -660.74472    37.244326    1340.1611   -1413.4326   -663.99669    41.875014    -705.8717            0    3.2519651    15.097948     2.278405      13990.5 
@@ -154,21 +160,21 @@ Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fm
     1400   -623.50803   -660.03912     36.53109    1314.4968    362.97431   -663.24909    45.772904   -709.02199            0    3.2099708    14.566488    1.9170714      13990.5 
     1450   -623.51243   -659.65548    36.143052     1300.534    2853.0755    -663.0534    51.355353   -714.40875            0    3.3979157    15.890282    2.5251359      13990.5 
     1500   -623.51621   -661.87741    38.361201    1380.3496    740.04973   -665.00896    46.208742    -711.2177            0    3.1315492    15.168927    2.4710846      13990.5 
-Loop time of 22.2766 on 1 procs for 1000 steps with 432 atoms
+Loop time of 16.907 on 1 procs for 1000 steps with 432 atoms
 
-Performance: 7.757 ns/day, 3.094 hours/ns, 44.890 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 10.221 ns/day, 2.348 hours/ns, 59.147 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 21.8       | 21.8       | 21.8       |   0.0 | 97.86
-Bond    | 0.005852   | 0.005852   | 0.005852   |   0.0 |  0.03
-Neigh   | 0.30423    | 0.30423    | 0.30423    |   0.0 |  1.37
-Comm    | 0.14388    | 0.14388    | 0.14388    |   0.0 |  0.65
-Output  | 0.0010855  | 0.0010855  | 0.0010855  |   0.0 |  0.00
-Modify  | 0.0064189  | 0.0064189  | 0.0064189  |   0.0 |  0.03
-Other   |            | 0.01527    |            |       |  0.07
+Pair    | 16.247     | 16.247     | 16.247     |   0.0 | 96.09
+Bond    | 0.0039518  | 0.0039518  | 0.0039518  |   0.0 |  0.02
+Neigh   | 0.46795    | 0.46795    | 0.46795    |   0.0 |  2.77
+Comm    | 0.17146    | 0.17146    | 0.17146    |   0.0 |  1.01
+Output  | 0.00082397 | 0.00082397 | 0.00082397 |   0.0 |  0.00
+Modify  | 0.0065799  | 0.0065799  | 0.0065799  |   0.0 |  0.04
+Other   |            | 0.009467   |            |       |  0.06
 
 Nlocal:    432 ave 432 max 432 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -182,4 +188,4 @@ Ave neighs/atom = 687.803
 Ave special neighs/atom = 1
 Neighbor list builds = 44
 Dangerous builds = 0
-Total wall time: 0:00:33
+Total wall time: 0:00:25
diff --git a/examples/coreshell/log.9Nov16.coreshell.dsf.g++.4 b/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4
similarity index 85%
rename from examples/coreshell/log.9Nov16.coreshell.dsf.g++.4
rename to examples/coreshell/log.27Nov18.coreshell.dsf.g++.4
index ccf1b4b035..fddddee49b 100644
--- a/examples/coreshell/log.9Nov16.coreshell.dsf.g++.4
+++ b/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (26 Jan 2017)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Testsystem for core-shell model compared to Mitchel and Finchham
 # Hendrik Heenen, June 2014
 
@@ -74,7 +75,8 @@ Neighbor list info ...
   ghost atom cutoff = 22
   binsize = 11, bins = 3 3 3
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair born/coul/dsf/cs, half, perpetual
+  (1) pair born/coul/dsf/cs, perpetual
+      attributes: half, newton on
       pair build: half/bin/newton
       stencil: half/bin/3d/newton
       bin: standard
@@ -88,7 +90,7 @@ fix_modify thermoberendsen temp CSequ
 
 timestep 0.002
 run 500
-Memory usage per processor = 6.8559 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 6.881 | 6.881 | 6.881 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
        0   -635.80596   -675.46362    39.657659         1427   -21302.622   -675.46362    1.6320365   -677.09565            0            0 1.5814015e-14 3.2317898e-15      13990.5 
       50   -634.07021   -666.11867    32.048452    1153.1982    -4560.945   -668.28236    37.756542    -706.0389            0     2.163691    13.802484     3.022372      13990.5 
@@ -101,21 +103,21 @@ Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fm
      400   -625.09344   -661.26404      36.1706    1301.5253   -729.96729   -664.10334    43.468765   -707.57211            0    2.8392963    13.663555    1.9067551      13990.5 
      450   -624.46214   -660.01362    35.551477    1279.2474   -1617.7158   -663.06571    41.644856   -704.71057            0    3.0520921    14.527005    1.7280213      13990.5 
      500   -623.49246    -659.2527     35.76024    1286.7593   -935.99238   -662.32953    43.038808   -705.36834            0    3.0768302    14.099593    1.9831106      13990.5 
-Loop time of 4.09864 on 4 procs for 500 steps with 432 atoms
+Loop time of 2.44013 on 4 procs for 500 steps with 432 atoms
 
-Performance: 21.080 ns/day, 1.139 hours/ns, 121.992 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 35.408 ns/day, 0.678 hours/ns, 204.907 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.3804     | 3.568      | 3.8354     |   8.9 | 87.05
-Bond    | 0.00074339 | 0.00079519 | 0.00087976 |   0.0 |  0.02
-Neigh   | 0.045851   | 0.046084   | 0.046361   |   0.1 |  1.12
-Comm    | 0.20413    | 0.47123    | 0.65875    |  24.3 | 11.50
-Output  | 0.00044298 | 0.00046057 | 0.00051165 |   0.0 |  0.01
-Modify  | 0.0064909  | 0.0067219  | 0.0069766  |   0.2 |  0.16
-Other   |            | 0.005345   |            |       |  0.13
+Pair    | 2.0321     | 2.1124     | 2.1759     |   3.6 | 86.57
+Bond    | 0.00069523 | 0.00071579 | 0.00074148 |   0.0 |  0.03
+Neigh   | 0.060491   | 0.060606   | 0.060709   |   0.0 |  2.48
+Comm    | 0.19263    | 0.25562    | 0.33556    |  10.4 | 10.48
+Output  | 0.00041246 | 0.00057316 | 0.0010512  |   0.0 |  0.02
+Modify  | 0.0059495  | 0.0062472  | 0.006577   |   0.4 |  0.26
+Other   |            | 0.00394    |            |       |  0.16
 
 Nlocal:    108 ave 114 max 105 min
 Histogram: 1 1 1 0 0 0 0 0 0 1
@@ -135,7 +137,7 @@ unfix thermoberendsen
 # ------------------------ Dynamic Run -------------------------------
 
 run 1000
-Memory usage per processor = 6.85787 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 6.883 | 6.948 | 7.138 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
      500   -623.49319    -659.2527    35.759511    1286.7331   -936.04802   -662.32953    43.038808   -705.36834            0    3.0768302    14.099593    1.9831106      13990.5 
      550   -623.44059   -663.57938    40.138795    1444.3127   -935.73484    -666.2789    42.563337   -708.84224            0    2.6995167    13.918509    2.3189805      13990.5 
@@ -158,21 +160,21 @@ Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fm
     1400   -623.47124   -661.45375    37.982513    1366.7233   -379.56023    -664.6321    43.788306   -708.42041            0    3.1783497    14.251126    1.7415409      13990.5 
     1450   -623.46671   -660.17518    36.708464    1320.8792   -374.37056   -662.92706    44.083648   -707.01071            0    2.7518803    15.210167    1.9984277      13990.5 
     1500   -623.50515   -659.06488    35.559725    1279.5442    260.37822   -662.39548    45.779764   -708.17524            0    3.3306005    14.682396    2.4201107      13990.5 
-Loop time of 8.26746 on 4 procs for 1000 steps with 432 atoms
+Loop time of 5.16152 on 4 procs for 1000 steps with 432 atoms
 
-Performance: 20.901 ns/day, 1.148 hours/ns, 120.956 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 33.478 ns/day, 0.717 hours/ns, 193.741 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 6.706      | 7.1568     | 7.6597     |  12.7 | 86.57
-Bond    | 0.0014617  | 0.0015531  | 0.0016506  |   0.2 |  0.02
-Neigh   | 0.10511    | 0.10522    | 0.10532    |   0.0 |  1.27
-Comm    | 0.48547    | 0.98841    | 1.4393     |  34.0 | 11.96
-Output  | 0.0012085  | 0.0012462  | 0.0013196  |   0.1 |  0.02
-Modify  | 0.0021446  | 0.0021989  | 0.0022545  |   0.1 |  0.03
-Other   |            | 0.01204    |            |       |  0.15
+Pair    | 4.0761     | 4.2795     | 4.6259     |  10.9 | 82.91
+Bond    | 0.0013907  | 0.0014481  | 0.0015037  |   0.1 |  0.03
+Neigh   | 0.13612    | 0.13618    | 0.13624    |   0.0 |  2.64
+Comm    | 0.38391    | 0.73074    | 0.93346    |  26.3 | 14.16
+Output  | 0.00096703 | 0.0014517  | 0.0028937  |   2.2 |  0.03
+Modify  | 0.0022988  | 0.0024452  | 0.0025537  |   0.2 |  0.05
+Other   |            | 0.009786   |            |       |  0.19
 
 Nlocal:    108 ave 114 max 94 min
 Histogram: 1 0 0 0 0 0 0 0 1 2
@@ -186,4 +188,4 @@ Ave neighs/atom = 687.484
 Ave special neighs/atom = 1
 Neighbor list builds = 46
 Dangerous builds = 0
-Total wall time: 0:00:12
+Total wall time: 0:00:07
diff --git a/examples/coreshell/log.27Nov18.coreshell.g++.1 b/examples/coreshell/log.27Nov18.coreshell.g++.1
new file mode 100644
index 0000000000..ac37069a1d
--- /dev/null
+++ b/examples/coreshell/log.27Nov18.coreshell.g++.1
@@ -0,0 +1,218 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Testsystem for core-shell model compared to Mitchel and Finchham
+# Hendrik Heenen, June 2014
+
+# ------------------------ INITIALIZATION ----------------------------
+
+units 		metal
+dimension	3
+boundary	p	p	p
+atom_style	full
+
+# ----------------------- ATOM DEFINITION ----------------------------
+
+fix csinfo all property/atom i_CSID
+read_data data.coreshell fix csinfo NULL CS-Info
+  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  432 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  216 bonds
+  1 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+
+group cores type 1 2
+216 atoms in group cores
+group shells type 3 4
+216 atoms in group shells
+
+neighbor 2.0 bin
+comm_modify vel yes
+
+# ------------------------ FORCE FIELDS ------------------------------
+
+kspace_style ewald 1.0e-6
+pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
+pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
+pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
+pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
+pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
+
+bond_style harmonic
+bond_coeff 1 63.014 0.0
+bond_coeff 2 25.724 0.0
+
+# ------------------------ Equilibration Run -------------------------------
+
+reset_timestep 0
+
+thermo 50
+thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
+
+compute CStemp all temp/cs cores shells
+compute thermo_press_lmp all pressure thermo_temp # press for correct kinetic scalar
+
+# output via chunk method
+
+#compute prop all property/atom i_CSID
+#compute cs_chunk all chunk/atom c_prop
+#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
+#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
+
+thermo_modify temp CStemp press thermo_press_lmp
+
+# velocity bias option
+
+velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CStemp
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 22
+  ghost atom cutoff = 22
+  binsize = 11, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair born/coul/long/cs, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+velocity all scale 1427 temp CStemp
+
+# thermostating using the core/shell decoupling
+
+fix thermoberendsen all temp/berendsen 1427 1427 0.4
+fix nve all nve
+fix_modify thermoberendsen temp CStemp
+
+# 2 fmsec timestep
+
+timestep 0.002
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 17.29 | 17.29 | 17.29 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.7895988e-14 3.594347e-15      13990.5 
+      50   -634.17327   -666.17818    32.004909    1151.6314   -4029.8418    -667.9562    37.809071    989.23283   -1694.9981    1.7780231    9.7133792     2.191797      13990.5 
+     100   -631.93507   -661.91226    29.977186    1078.6679   -3171.7799   -664.06719     39.33341    991.36934   -1694.7699    2.1549313    11.091423    2.1704389      13990.5 
+     150   -630.16811   -663.12417    32.956056    1185.8565    143.26508   -665.48036    46.253769    982.97454   -1694.7087    2.3561935    11.467913    2.1652595      13990.5 
+     200   -628.62323   -663.64922    35.025998    1260.3391   -1622.4126   -665.96878    41.661879    986.81675   -1694.4474    2.3195587    10.597709    2.9538262      13990.5 
+     250   -627.31045   -662.01825      34.7078    1248.8894   -1509.6621   -664.50312    42.101718    987.90197   -1694.5068    2.4848739    10.392757    1.6933711      13990.5 
+     300   -626.57622   -660.97494     34.39872    1237.7678   -1637.8094   -663.48087    41.653234    989.53228   -1694.6664    2.5059303    11.204361    2.2809738      13990.5 
+     350   -625.91962   -665.35837    39.438749     1419.123   -1351.4779    -667.6167    41.582456    985.53382    -1694.733    2.2583289     10.83106    1.8963347      13990.5 
+     400   -625.24849   -660.77642    35.527934    1278.4003   -424.45104   -663.12602    43.890331    987.75201   -1694.7684    2.3495966    11.521966     2.175931      13990.5 
+     450   -624.67743   -662.88678    38.209353    1374.8857    1109.0155   -665.43212    46.964803    982.35208    -1694.749    2.5453383    11.002405    2.0014356      13990.5 
+     500   -624.30215   -661.97859    37.676437    1355.7098   -998.57286   -664.60382    42.373117    987.59021   -1694.5671     2.625227    11.153883    2.8270306      13990.5 
+Loop time of 6.53907 on 1 procs for 500 steps with 432 atoms
+
+Performance: 13.213 ns/day, 1.816 hours/ns, 76.463 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.6198     | 5.6198     | 5.6198     |   0.0 | 85.94
+Bond    | 0.0020258  | 0.0020258  | 0.0020258  |   0.0 |  0.03
+Kspace  | 0.57813    | 0.57813    | 0.57813    |   0.0 |  8.84
+Neigh   | 0.23532    | 0.23532    | 0.23532    |   0.0 |  3.60
+Comm    | 0.086898   | 0.086898   | 0.086898   |   0.0 |  1.33
+Output  | 0.00044823 | 0.00044823 | 0.00044823 |   0.0 |  0.01
+Modify  | 0.012434   | 0.012434   | 0.012434   |   0.0 |  0.19
+Other   |            | 0.004004   |            |       |  0.06
+
+Nlocal:    432 ave 432 max 432 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9338 ave 9338 max 9338 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    297354 ave 297354 max 297354 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 297354
+Ave neighs/atom = 688.319
+Ave special neighs/atom = 1
+Neighbor list builds = 22
+Dangerous builds = 0
+
+unfix thermoberendsen
+
+# ------------------------ Dynamic Run -------------------------------
+
+run 1000
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 17.29 | 17.29 | 17.29 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+     500   -624.30215   -661.97859    37.676437    1355.7098   -998.57286   -664.60382    42.373117    987.59021   -1694.5671     2.625227    11.153883    2.8270306      13990.5 
+     550   -624.30709   -662.13368    37.826594    1361.1129    327.40639   -664.76823    45.306662    984.72847   -1694.8034    2.6345475    10.879928    1.9751611      13990.5 
+     600   -624.30993   -661.84513    37.535201    1350.6277   -983.48045   -664.36158    42.366067    987.87918   -1694.6068    2.5164439    10.210733    1.7891188      13990.5 
+     650   -624.30501   -659.20528     34.90027    1255.8151    556.10903   -661.96404    46.567866     986.0511    -1694.583    2.7587602    13.154392    2.1649995      13990.5 
+     700   -624.30909   -661.85126     37.54217    1350.8784   -134.38128   -664.38499    44.382232    985.80624   -1694.5735    2.5337309    10.991718    2.0394718      13990.5 
+     750   -624.30994   -660.52853    36.218591    1303.2522    1197.4475   -663.29728    47.437035    984.08807   -1694.8224    2.7687507    11.683138     2.075797      13990.5 
+     800   -624.30475   -659.88119    35.576433    1280.1454    358.11619   -662.81702    45.487454    986.41325   -1694.7177    2.9358301    11.519677    3.7837385      13990.5 
+     850    -624.3061   -663.63946    39.333359    1415.3307   -33.011248   -666.10531    44.296094    984.32445   -1694.7258    2.4658499    11.039607    1.9232237      13990.5 
+     900    -624.3004     -659.038    34.737607     1249.962    373.33796   -662.10263    45.838541    986.93651   -1694.8777    3.0646238     12.13843    2.4692874      13990.5 
+     950   -624.30802   -663.36014    39.052124    1405.2111    290.61832   -665.78004    45.269372    983.76386   -1694.8133    2.4198995    11.723515    2.0708786      13990.5 
+    1000   -624.30213   -659.49404    35.191918    1266.3094   -920.00206   -662.25664    42.950066    989.20183   -1694.4085    2.7625985    11.442653    1.8492839      13990.5 
+    1050   -624.30371    -659.3839    35.080191    1262.2891    284.04674   -662.15204    45.828093    986.77381   -1694.7539    2.7681351    12.123317    1.8741591      13990.5 
+    1100    -624.3052   -660.69507    36.389872    1309.4153   -282.65356   -663.18011     44.45192    987.28618   -1694.9182    2.4850386    11.032596    1.9763392      13990.5 
+    1150   -624.30478   -657.75327    33.448496    1203.5759    1331.9067   -660.51356    48.445972    985.91346    -1694.873    2.7602894    13.583395    2.4702797      13990.5 
+    1200   -624.30892   -664.76096    40.452036    1455.5841   -1970.8297   -666.85506    39.983487    988.02113   -1694.8597    2.0941031    9.5654747    1.9888352      13990.5 
+    1250   -624.30486   -661.48101    37.176152     1337.708    1864.8469   -664.22952     48.84895    981.57501   -1694.6535    2.7485121    11.090466    1.9610957      13990.5 
+    1300    -624.3122   -662.74179    38.429588    1382.8104    1775.1061    -665.4945    48.300257    980.84489   -1694.6396    2.7527096    11.276872    1.7562916      13990.5 
+    1350   -624.30198   -659.95211     35.65013    1282.7973   -154.85356   -662.68735     44.54654    987.24605   -1694.4799    2.7352371    11.229424    2.4657127      13990.5 
+    1400   -624.30362   -659.14451    34.840882    1253.6781   -159.66669   -662.01516    44.455993    988.18506   -1694.6562      2.87065    11.536771       1.6678      13990.5 
+    1450   -624.30238   -661.91803    37.615642    1353.5222    993.97328   -664.55469    46.579213    983.57987   -1694.7138    2.6366597    11.343434    2.3751981      13990.5 
+    1500   -624.31198   -659.70757    35.395599    1273.6385     2948.584   -662.67607     51.30697    980.45677   -1694.4398    2.9684904    11.953269    2.2096873      13990.5 
+Loop time of 13.2154 on 1 procs for 1000 steps with 432 atoms
+
+Performance: 13.076 ns/day, 1.835 hours/ns, 75.669 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 11.363     | 11.363     | 11.363     |   0.0 | 85.98
+Bond    | 0.0040638  | 0.0040638  | 0.0040638  |   0.0 |  0.03
+Kspace  | 1.1573     | 1.1573     | 1.1573     |   0.0 |  8.76
+Neigh   | 0.50039    | 0.50039    | 0.50039    |   0.0 |  3.79
+Comm    | 0.17365    | 0.17365    | 0.17365    |   0.0 |  1.31
+Output  | 0.00093961 | 0.00093961 | 0.00093961 |   0.0 |  0.01
+Modify  | 0.0068541  | 0.0068541  | 0.0068541  |   0.0 |  0.05
+Other   |            | 0.009295   |            |       |  0.07
+
+Nlocal:    432 ave 432 max 432 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9380 ave 9380 max 9380 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    296922 ave 296922 max 296922 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 296922
+Ave neighs/atom = 687.319
+Ave special neighs/atom = 1
+Neighbor list builds = 47
+Dangerous builds = 0
+Total wall time: 0:00:19
diff --git a/examples/coreshell/log.27Nov18.coreshell.g++.4 b/examples/coreshell/log.27Nov18.coreshell.g++.4
new file mode 100644
index 0000000000..597ffc2660
--- /dev/null
+++ b/examples/coreshell/log.27Nov18.coreshell.g++.4
@@ -0,0 +1,218 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Testsystem for core-shell model compared to Mitchel and Finchham
+# Hendrik Heenen, June 2014
+
+# ------------------------ INITIALIZATION ----------------------------
+
+units 		metal
+dimension	3
+boundary	p	p	p
+atom_style	full
+
+# ----------------------- ATOM DEFINITION ----------------------------
+
+fix csinfo all property/atom i_CSID
+read_data data.coreshell fix csinfo NULL CS-Info
+  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  432 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  216 bonds
+  1 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+
+group cores type 1 2
+216 atoms in group cores
+group shells type 3 4
+216 atoms in group shells
+
+neighbor 2.0 bin
+comm_modify vel yes
+
+# ------------------------ FORCE FIELDS ------------------------------
+
+kspace_style ewald 1.0e-6
+pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
+pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
+pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
+pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
+pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
+
+bond_style harmonic
+bond_coeff 1 63.014 0.0
+bond_coeff 2 25.724 0.0
+
+# ------------------------ Equilibration Run -------------------------------
+
+reset_timestep 0
+
+thermo 50
+thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
+
+compute CStemp all temp/cs cores shells
+compute thermo_press_lmp all pressure thermo_temp # press for correct kinetic scalar
+
+# output via chunk method
+
+#compute prop all property/atom i_CSID
+#compute cs_chunk all chunk/atom c_prop
+#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
+#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
+
+thermo_modify temp CStemp press thermo_press_lmp
+
+# velocity bias option
+
+velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CStemp
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 22
+  ghost atom cutoff = 22
+  binsize = 11, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair born/coul/long/cs, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+velocity all scale 1427 temp CStemp
+
+# thermostating using the core/shell decoupling
+
+fix thermoberendsen all temp/berendsen 1427 1427 0.4
+fix nve all nve
+fix_modify thermoberendsen temp CStemp
+
+# 2 fmsec timestep
+
+timestep 0.002
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 15.58 | 15.58 | 15.58 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.9851021e-14 4.2188475e-15      13990.5 
+      50   -634.17349   -666.17817    32.004686    1151.6234   -4029.8405    -667.9562    37.809075    989.23283   -1694.9981     1.778024    9.7133822    2.1917966      13990.5 
+     100   -631.93517   -661.91227    29.977104     1078.665   -3171.8044    -664.0672    39.333371    991.36937   -1694.7699    2.1549315    11.091441    2.1704346      13990.5 
+     150   -630.16822   -663.12423    32.956001    1185.8545    143.24615   -665.48041    46.253736    982.97453   -1694.7087    2.3561828    11.467862    2.1651517      13990.5 
+     200    -628.6223    -663.6493    35.026994     1260.375   -1622.4428   -665.96885    41.661825    986.81675   -1694.4474    2.3195537    10.597709    2.9538132      13990.5 
+     250   -627.31146   -662.01843    34.706968    1248.8595   -1509.7149   -664.50329     42.10159    987.90193   -1694.5068    2.4848612    10.392642     1.693337      13990.5 
+     300   -626.57661   -660.97479    34.398178    1237.7483   -1637.8266   -663.48071    41.653258    989.53241   -1694.6664    2.5059269     11.20455    2.2814851      13990.5 
+     350   -625.91971    -665.3583    39.438589    1419.1172   -1351.5076   -667.61665    41.582479    985.53388    -1694.733    2.2583457    10.831559    1.8963688      13990.5 
+     400   -625.24855    -660.7758    35.527253    1278.3758   -423.70384    -663.1256     43.89223     987.7506   -1694.7684     2.349799    11.523597    2.1775994      13990.5 
+     450    -624.6774   -662.88749    38.210092    1374.9123    1108.7784   -665.43272    46.964156    982.35233   -1694.7492    2.5452316    11.002239     2.001871      13990.5 
+     500   -624.30227   -661.97992    37.677648    1355.7533   -998.38049   -664.60501    42.373269    987.58935   -1694.5676    2.6250971    11.151918    2.8270144      13990.5 
+Loop time of 1.9801 on 4 procs for 500 steps with 432 atoms
+
+Performance: 43.634 ns/day, 0.550 hours/ns, 252.513 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.3316     | 1.4349     | 1.5717     |   7.8 | 72.46
+Bond    | 0.00071955 | 0.00073642 | 0.00075316 |   0.0 |  0.04
+Kspace  | 0.20621    | 0.33644    | 0.43824    |  15.7 | 16.99
+Neigh   | 0.065812   | 0.065825   | 0.065829   |   0.0 |  3.32
+Comm    | 0.11763    | 0.12492    | 0.12828    |   1.2 |  6.31
+Output  | 0.0004766  | 0.0020956  | 0.0069461  |   6.1 |  0.11
+Modify  | 0.0063045  | 0.0071256  | 0.0079646  |   1.0 |  0.36
+Other   |            | 0.008101   |            |       |  0.41
+
+Nlocal:    108 ave 119 max 102 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Nghost:    6516 ave 6545 max 6491 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Neighs:    74337.8 ave 81248 max 69989 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+
+Total # of neighbors = 297351
+Ave neighs/atom = 688.312
+Ave special neighs/atom = 1
+Neighbor list builds = 22
+Dangerous builds = 0
+
+unfix thermoberendsen
+
+# ------------------------ Dynamic Run -------------------------------
+
+run 1000
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 15.59 | 15.65 | 15.84 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+     500   -624.30215   -661.97992    37.677763    1355.7575   -998.38049   -664.60501    42.373269    987.58935   -1694.5676    2.6250971    11.151918    2.8270144      13990.5 
+     550     -624.307   -662.13312    37.826117    1361.0957    331.61441   -664.76755    45.316291     984.7202    -1694.804    2.6344363    10.876847    1.9725627      13990.5 
+     600   -624.30999   -661.82604    37.516052    1349.9386   -977.02006   -664.34278    42.382897    987.88146   -1694.6071    2.5167365    10.214195    1.7874159      13990.5 
+     650   -624.30519   -659.19917     34.89398    1255.5887    549.29026   -661.95827    46.555452    986.06834   -1694.5821    2.7590968     13.15971     2.150802      13990.5 
+     700   -624.30925   -661.91134     37.60209    1353.0346   -173.75617   -664.45296    44.284848    985.83333   -1694.5711    2.5416162    10.971743    1.9844905      13990.5 
+     750   -624.30957    -660.4111    36.101528    1299.0399    1224.7615   -663.20844    47.513495    984.09149   -1694.8134    2.7973427    11.760288    2.1436426      13990.5 
+     800   -624.30443   -660.29859    35.994159    1295.1764    274.44426    -663.2484    45.216978    986.25498   -1694.7204    2.9498134    11.512509    4.0054687      13990.5 
+     850   -624.30771   -663.64907    39.341363    1415.6187     339.0107   -666.13161    45.126833    983.39086   -1694.6493    2.4825413    11.020953    2.1719529      13990.5 
+     900   -624.30318   -658.79061    34.487426    1240.9597    326.93573   -661.83606    45.870868    987.13858   -1694.8455    3.0454534    12.639272    1.9516031      13990.5 
+     950   -624.30275   -663.63565    39.332892    1415.3139   -668.82258   -665.98818    43.090661    985.63359   -1694.7124    2.3525337    11.014784    2.0742438      13990.5 
+    1000   -624.30302   -660.58037     36.27735    1305.3665   -725.43356    -663.2066    42.991534    988.36047   -1694.5586    2.6262239    10.521127    1.8763991      13990.5 
+    1050   -624.30291   -660.75751    36.454601    1311.7445    834.87442   -663.66586    46.551242    984.37581   -1694.5929     2.908347     11.20897    2.1312758      13990.5 
+    1100   -624.30709   -663.05705    38.749955    1394.3381   -709.57897    -665.5853    42.840927    986.33077    -1694.757    2.5282501    10.630015    2.6077838      13990.5 
+    1150   -624.31167   -663.16861    38.856933    1398.1875   -202.93169   -665.68694     43.83137    985.37199   -1694.8903    2.5183367    10.924515    2.9847813      13990.5 
+    1200   -624.30447   -660.45656    36.152088    1300.8592   -490.40029   -663.44614    43.512278    987.25887   -1694.2173    2.9895748    11.017505    2.1685389      13990.5 
+    1250    -624.3046   -661.95895    37.654347    1354.9149   -1405.9374   -664.49438    41.407094    988.59571   -1694.4972    2.5354305     11.05786    2.0138426      13990.5 
+    1300   -624.30002   -659.01152    34.711493    1249.0223    414.13124   -661.65532    45.873988    986.98863   -1694.5179    2.6438076    11.612439    2.2823703      13990.5 
+    1350   -624.31114   -659.05277    34.741631    1250.1068    795.03396   -661.48604    46.584896     986.7784   -1694.8493      2.43327    10.382832     1.616191      13990.5 
+    1400   -624.30512   -661.30058    36.995459    1331.2062   -1144.6328   -663.78961    41.970109    989.12976   -1694.8895    2.4890256    9.9264597    2.1371617      13990.5 
+    1450   -624.30479    -657.8718    33.567014    1207.8406    980.42716   -660.87614    47.207833    986.87048   -1694.9545     3.004339    11.783025    2.7986076      13990.5 
+    1500   -624.30058   -658.54923    34.248643    1232.3676   -728.22612    -661.1865    43.605107    989.73327   -1694.5249    2.6372721    11.688084    2.5466244      13990.5 
+Loop time of 4.08004 on 4 procs for 1000 steps with 432 atoms
+
+Performance: 42.353 ns/day, 0.567 hours/ns, 245.096 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.7379     | 2.8952     | 3.2162     |  11.5 | 70.96
+Bond    | 0.0014176  | 0.0015033  | 0.0016136  |   0.2 |  0.04
+Kspace  | 0.47825    | 0.7808     | 0.93251    |  20.9 | 19.14
+Neigh   | 0.13731    | 0.13815    | 0.13904    |   0.2 |  3.39
+Comm    | 0.23139    | 0.25066    | 0.2586     |   2.2 |  6.14
+Output  | 0.0010233  | 0.0015535  | 0.0031006  |   2.3 |  0.04
+Modify  | 0.0025311  | 0.0026742  | 0.0028279  |   0.2 |  0.07
+Other   |            | 0.00951    |            |       |  0.23
+
+Nlocal:    108 ave 116 max 98 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Nghost:    6461.75 ave 6504 max 6437 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+Neighs:    74412.8 ave 81159 max 68634 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+
+Total # of neighbors = 297651
+Ave neighs/atom = 689.007
+Ave special neighs/atom = 1
+Neighbor list builds = 46
+Dangerous builds = 0
+Total wall time: 0:00:06
diff --git a/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1 b/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1
new file mode 100644
index 0000000000..109e556b7a
--- /dev/null
+++ b/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1
@@ -0,0 +1,278 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Testsystem for core-shell model compared to Mitchell and Fincham
+# Hendrik Heenen, June 2014
+
+# ------------------------ INITIALIZATION ----------------------------
+
+units 		metal
+dimension	3
+boundary	p	p	p
+atom_style	full
+
+# ----------------------- ATOM DEFINITION ----------------------------
+
+fix csinfo all property/atom i_CSID
+read_data data.coreshell fix csinfo NULL CS-Info
+  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  432 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  216 bonds
+  1 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+
+group cores type 1 2
+216 atoms in group cores
+group shells type 3 4
+216 atoms in group shells
+
+neighbor 2.0 bin
+comm_modify vel yes
+
+# ------------------------ FORCE FIELDS ------------------------------
+
+kspace_style ewald 1.0e-6
+pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
+pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
+pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
+pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
+pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
+
+bond_style harmonic
+bond_coeff 1 63.014 0.0
+bond_coeff 2 25.724 0.0
+
+# ------------------------ Equilibration Run -------------------------------
+
+reset_timestep 0
+
+thermo 50
+thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
+
+compute CStemp all temp/cs cores shells
+compute thermo_press_lmp all pressure thermo_temp # press for correct kinetic scalar
+
+# output via chunk method
+
+#compute prop all property/atom i_CSID
+#compute cs_chunk all chunk/atom c_prop
+#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
+#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
+
+thermo_modify temp CStemp press thermo_press_lmp
+
+# 2 fmsec timestep
+
+timestep 0.002
+
+# velocity bias option
+
+velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CStemp
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 22
+  ghost atom cutoff = 22
+  binsize = 11, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair born/coul/long/cs, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+velocity all scale 1427 temp CStemp
+
+# thermostating using the core/shell decoupling
+
+fix thermoberendsen all temp/berendsen 1427 1427 0.4
+fix nve all nve
+fix_modify thermoberendsen temp CStemp
+
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 17.29 | 17.29 | 17.29 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.7895988e-14 3.594347e-15      13990.5 
+      50   -634.17327   -666.17818    32.004909    1151.6314   -4029.8418    -667.9562    37.809071    989.23283   -1694.9981    1.7780231    9.7133792     2.191797      13990.5 
+     100   -631.93507   -661.91226    29.977186    1078.6679   -3171.7799   -664.06719     39.33341    991.36934   -1694.7699    2.1549313    11.091423    2.1704389      13990.5 
+     150   -630.16811   -663.12417    32.956056    1185.8565    143.26508   -665.48036    46.253769    982.97454   -1694.7087    2.3561935    11.467913    2.1652595      13990.5 
+     200   -628.62323   -663.64922    35.025998    1260.3391   -1622.4126   -665.96878    41.661879    986.81675   -1694.4474    2.3195587    10.597709    2.9538262      13990.5 
+     250   -627.31045   -662.01825      34.7078    1248.8894   -1509.6621   -664.50312    42.101718    987.90197   -1694.5068    2.4848739    10.392757    1.6933711      13990.5 
+     300   -626.57622   -660.97494     34.39872    1237.7678   -1637.8094   -663.48087    41.653234    989.53228   -1694.6664    2.5059303    11.204361    2.2809738      13990.5 
+     350   -625.91962   -665.35837    39.438749     1419.123   -1351.4779    -667.6167    41.582456    985.53382    -1694.733    2.2583289     10.83106    1.8963347      13990.5 
+     400   -625.24849   -660.77642    35.527934    1278.4003   -424.45104   -663.12602    43.890331    987.75201   -1694.7684    2.3495966    11.521966     2.175931      13990.5 
+     450   -624.67743   -662.88678    38.209353    1374.8857    1109.0155   -665.43212    46.964803    982.35208    -1694.749    2.5453383    11.002405    2.0014356      13990.5 
+     500   -624.30215   -661.97859    37.676437    1355.7098   -998.57286   -664.60382    42.373117    987.59021   -1694.5671     2.625227    11.153883    2.8270306      13990.5 
+Loop time of 6.42035 on 1 procs for 500 steps with 432 atoms
+
+Performance: 13.457 ns/day, 1.783 hours/ns, 77.877 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.5082     | 5.5082     | 5.5082     |   0.0 | 85.79
+Bond    | 0.0019779  | 0.0019779  | 0.0019779  |   0.0 |  0.03
+Kspace  | 0.57472    | 0.57472    | 0.57472    |   0.0 |  8.95
+Neigh   | 0.23256    | 0.23256    | 0.23256    |   0.0 |  3.62
+Comm    | 0.086275   | 0.086275   | 0.086275   |   0.0 |  1.34
+Output  | 0.00044322 | 0.00044322 | 0.00044322 |   0.0 |  0.01
+Modify  | 0.012263   | 0.012263   | 0.012263   |   0.0 |  0.19
+Other   |            | 0.003893   |            |       |  0.06
+
+Nlocal:    432 ave 432 max 432 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9338 ave 9338 max 9338 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    297354 ave 297354 max 297354 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 297354
+Ave neighs/atom = 688.319
+Ave special neighs/atom = 1
+Neighbor list builds = 22
+Dangerous builds = 0
+
+unfix thermoberendsen
+unfix nve
+
+fix npt_equ all npt temp 1427 1427 0.04 iso 0 0 0.4
+fix_modify npt_equ temp CStemp press thermo_press_lmp # pressure for correct kinetic scalar
+
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 17.29 | 17.29 | 17.29 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+     500   -624.30215   -661.97859    37.676437    1355.7098   -998.57286   -664.60382    42.373117    987.59021   -1694.5671     2.625227    11.153883    2.8270306      13990.5 
+     550   -615.79469   -659.53309    43.738406    1573.8374    1470.2728   -662.39233    46.796275    985.55051   -1694.7391    2.8592421    11.816222    2.0435827    13959.536 
+     600    -620.1583    -658.0606    37.902298    1363.8369   -1976.0423   -660.62151    39.901722     994.0484   -1694.5716    2.5609098    10.333069    1.7024274    14344.949 
+     650   -614.79177   -655.16909    40.377318    1452.8955    1369.3632   -658.06385    47.296696    989.25356   -1694.6141    2.8947623      12.7805    2.1488232    14305.838 
+     700   -619.96986   -659.64497    39.675118    1427.6282    455.78012   -662.19977     45.29754    986.93209   -1694.4294     2.554791    10.780261    2.0068563     14432.96 
+     750    -616.0691   -654.36205     38.29295    1377.8937   -241.86552   -657.41633    43.727007    993.62088   -1694.7642    3.0542755    11.706048    3.3689413    14829.924 
+     800   -614.16673   -652.57617    38.409441    1382.0854   -552.93403   -655.00904    42.769389    996.79939   -1694.5778    2.4328709     11.05387    1.3686986    15324.864 
+     850   -611.92307   -653.97912    42.056053    1513.3013   -685.21581   -656.44468    42.244804    996.03742   -1694.7269    2.4655655    11.681335    1.9879277    15467.594 
+     900    -615.2753    -658.9358    43.660499     1571.034   -243.69139   -661.50959    43.098716     989.8049   -1694.4132     2.573788    10.674681    1.6541594    14964.747 
+     950   -617.05845   -655.42907    38.370623    1380.6886    607.78657   -658.13583    45.497112    991.02201   -1694.6549    2.7067567     12.70332    2.4561886    14472.808 
+    1000   -618.16527   -657.57073    39.405466    1417.9254    416.69904   -660.62844    45.155689    988.77163   -1694.5558    3.0577092    11.730529    1.8247965    14362.255 
+Loop time of 6.22988 on 1 procs for 500 steps with 432 atoms
+
+Performance: 13.869 ns/day, 1.731 hours/ns, 80.258 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.2759     | 5.2759     | 5.2759     |   0.0 | 84.69
+Bond    | 0.0028615  | 0.0028615  | 0.0028615  |   0.0 |  0.05
+Kspace  | 0.57661    | 0.57661    | 0.57661    |   0.0 |  9.26
+Neigh   | 0.24735    | 0.24735    | 0.24735    |   0.0 |  3.97
+Comm    | 0.083591   | 0.083591   | 0.083591   |   0.0 |  1.34
+Output  | 0.0004077  | 0.0004077  | 0.0004077  |   0.0 |  0.01
+Modify  | 0.03937    | 0.03937    | 0.03937    |   0.0 |  0.63
+Other   |            | 0.003794   |            |       |  0.06
+
+Nlocal:    432 ave 432 max 432 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9025 ave 9025 max 9025 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    290026 ave 290026 max 290026 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 290026
+Ave neighs/atom = 671.356
+Ave special neighs/atom = 1
+Neighbor list builds = 24
+Dangerous builds = 0
+
+unfix npt_equ
+
+# ------------------------ Dynamic Run -------------------------------
+
+fix npt_dyn all npt temp 1427 1427 0.04 iso 0 0 0.4
+fix_modify npt_dyn temp CStemp press thermo_press_lmp # pressure for correct kinetic scalar
+run 1000
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175163
+  estimated absolute RMS force accuracy = 1.51081e-05
+  estimated relative force accuracy = 1.0492e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 17.29 | 17.29 | 17.29 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+    1000   -618.16527   -657.57073    39.405466    1417.9254    428.20902   -660.62844    45.155689    987.86858   -1693.6527    3.0577092    11.730529    1.8247964    14362.255 
+    1050   -624.47216   -659.74932    35.277161    1269.3767    1023.4005   -662.65642    47.132969    983.86865    -1693.658    2.9071018    11.128238    2.4855361    14240.043 
+    1100   -617.14258   -658.07887    40.936282    1473.0087   -664.49152   -660.92582    42.224469    990.57675    -1693.727    2.8469569     11.75658    2.4149634    14408.926 
+    1150   -619.61978   -657.61169    37.991909    1367.0614   -465.46433   -660.31084    43.105221    989.99318   -1693.4092     2.699159    10.782062    2.1690057    14554.158 
+    1200   -615.99237    -657.2408    41.248432    1484.2407   -813.35983   -660.07564    41.678196     991.8399   -1693.5937    2.8348373    10.545446    2.1121233    14555.425 
+    1250   -626.68392   -658.41883    31.734906    1141.9159   -539.79478   -660.84299     44.20365    988.80199   -1693.8486    2.4241661    11.395962     2.135851    14575.926 
+    1300   -617.50678   -657.21802    39.711239     1428.928    1685.6002   -659.90723    48.138182    985.72575   -1693.7712    2.6892077    12.721388    1.8776177    14369.009 
+    1350   -622.21239   -658.79581    36.583414    1316.3796   -799.75314   -661.51494    42.733724     989.2771   -1693.5258    2.7191347    11.211319    2.3809801    14613.392 
+    1400   -614.34638   -654.89562    40.549232    1459.0815    1192.2924   -657.82292    46.886633    988.93592   -1693.6455     2.927306    11.818277    2.0357932    15050.984 
+    1450   -614.74459   -651.08463    36.340044    1307.6224   -941.42354   -653.80733    42.373988    997.48406   -1693.6654    2.7226961     11.57117    1.9107106    15667.952 
+    1500   -608.59499   -648.39988    39.804894    1432.2979    -1036.978   -651.42193    41.284322    1000.5742   -1693.2804    3.0220531    10.965804    1.9225015    15657.799 
+    1550   -616.75971     -653.701    36.941282    1329.2567    956.80287   -656.37213    46.958724    990.63147   -1693.9623    2.6711387    11.270035    2.1646421    15283.769 
+    1600   -614.00249   -655.22129    41.218796    1483.1743    162.86851   -658.03388    44.578553    990.97117   -1693.5836    2.8125894    12.001595    2.1613558    15014.979 
+    1650   -620.21853    -658.7696    38.551071    1387.1817   -15.994219    -661.3575    44.417732    988.12137   -1693.8966    2.5879024     11.60402    2.2188998    14421.685 
+    1700   -621.65896   -660.14043    38.481472    1384.6773    374.01196   -662.88364    45.046442    985.61668   -1693.5468    2.7432107    11.020422    2.0354876    13843.115 
+    1750   -626.52363    -662.7125    36.188873    1302.1828    246.87832   -665.23873    45.613954    983.17191   -1694.0246    2.5262291    12.801515    2.4291407    13584.377 
+    1800   -620.84342   -658.64915    37.805737    1360.3624    1419.6927   -661.54346    47.476679    984.72199   -1693.7421    2.8943029    13.331926    2.1690676    13249.778 
+    1850   -618.96345   -661.03809    42.074638    1513.9701    1692.1613   -663.74409    47.099139    982.71413   -1693.5574    2.7060076    11.521214    1.6552929    13269.978 
+    1900   -622.60007   -658.68592    36.085857     1298.476   -1580.4079    -661.4614    41.163528     991.0778   -1693.7027    2.7754739    10.427911     1.946547    14057.045 
+    1950   -613.97975    -656.9327    42.952955    1545.5745   -1163.9497   -659.48701    40.688202    993.61603   -1693.7912    2.5543044    10.621596    2.2183688    14489.331 
+    2000   -613.52562   -654.78948    41.263864     1484.796    646.07695   -657.76756    45.489785    990.40525   -1693.6626     2.978081    12.135455       2.3293    14760.827 
+Loop time of 12.672 on 1 procs for 1000 steps with 432 atoms
+
+Performance: 13.636 ns/day, 1.760 hours/ns, 78.914 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 10.73      | 10.73      | 10.73      |   0.0 | 84.67
+Bond    | 0.0057325  | 0.0057325  | 0.0057325  |   0.0 |  0.05
+Kspace  | 1.1532     | 1.1532     | 1.1532     |   0.0 |  9.10
+Neigh   | 0.52571    | 0.52571    | 0.52571    |   0.0 |  4.15
+Comm    | 0.17069    | 0.17069    | 0.17069    |   0.0 |  1.35
+Output  | 0.00081754 | 0.00081754 | 0.00081754 |   0.0 |  0.01
+Modify  | 0.078469   | 0.078469   | 0.078469   |   0.0 |  0.62
+Other   |            | 0.007788   |            |       |  0.06
+
+Nlocal:    432 ave 432 max 432 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    8927 ave 8927 max 8927 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    281696 ave 281696 max 281696 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 281696
+Ave neighs/atom = 652.074
+Ave special neighs/atom = 1
+Neighbor list builds = 50
+Dangerous builds = 0
+Total wall time: 0:00:25
diff --git a/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4 b/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4
new file mode 100644
index 0000000000..679ee19a39
--- /dev/null
+++ b/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4
@@ -0,0 +1,278 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Testsystem for core-shell model compared to Mitchell and Fincham
+# Hendrik Heenen, June 2014
+
+# ------------------------ INITIALIZATION ----------------------------
+
+units 		metal
+dimension	3
+boundary	p	p	p
+atom_style	full
+
+# ----------------------- ATOM DEFINITION ----------------------------
+
+fix csinfo all property/atom i_CSID
+read_data data.coreshell fix csinfo NULL CS-Info
+  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  432 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  216 bonds
+  1 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+
+group cores type 1 2
+216 atoms in group cores
+group shells type 3 4
+216 atoms in group shells
+
+neighbor 2.0 bin
+comm_modify vel yes
+
+# ------------------------ FORCE FIELDS ------------------------------
+
+kspace_style ewald 1.0e-6
+pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
+pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
+pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
+pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
+pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
+
+bond_style harmonic
+bond_coeff 1 63.014 0.0
+bond_coeff 2 25.724 0.0
+
+# ------------------------ Equilibration Run -------------------------------
+
+reset_timestep 0
+
+thermo 50
+thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
+
+compute CStemp all temp/cs cores shells
+compute thermo_press_lmp all pressure thermo_temp # press for correct kinetic scalar
+
+# output via chunk method
+
+#compute prop all property/atom i_CSID
+#compute cs_chunk all chunk/atom c_prop
+#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
+#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
+
+thermo_modify temp CStemp press thermo_press_lmp
+
+# 2 fmsec timestep
+
+timestep 0.002
+
+# velocity bias option
+
+velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CStemp
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 22
+  ghost atom cutoff = 22
+  binsize = 11, bins = 3 3 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair born/coul/long/cs, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+velocity all scale 1427 temp CStemp
+
+# thermostating using the core/shell decoupling
+
+fix thermoberendsen all temp/berendsen 1427 1427 0.4
+fix nve all nve
+fix_modify thermoberendsen temp CStemp
+
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 15.58 | 15.58 | 15.58 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.9851021e-14 4.2188475e-15      13990.5 
+      50   -634.17349   -666.17817    32.004686    1151.6234   -4029.8405    -667.9562    37.809075    989.23283   -1694.9981     1.778024    9.7133822    2.1917966      13990.5 
+     100   -631.93517   -661.91227    29.977104     1078.665   -3171.8044    -664.0672    39.333371    991.36937   -1694.7699    2.1549315    11.091441    2.1704346      13990.5 
+     150   -630.16822   -663.12423    32.956001    1185.8545    143.24615   -665.48041    46.253736    982.97453   -1694.7087    2.3561828    11.467862    2.1651517      13990.5 
+     200    -628.6223    -663.6493    35.026994     1260.375   -1622.4428   -665.96885    41.661825    986.81675   -1694.4474    2.3195537    10.597709    2.9538132      13990.5 
+     250   -627.31146   -662.01843    34.706968    1248.8595   -1509.7149   -664.50329     42.10159    987.90193   -1694.5068    2.4848612    10.392642     1.693337      13990.5 
+     300   -626.57661   -660.97479    34.398178    1237.7483   -1637.8266   -663.48071    41.653258    989.53241   -1694.6664    2.5059269     11.20455    2.2814851      13990.5 
+     350   -625.91971    -665.3583    39.438589    1419.1172   -1351.5076   -667.61665    41.582479    985.53388    -1694.733    2.2583457    10.831559    1.8963688      13990.5 
+     400   -625.24855    -660.7758    35.527253    1278.3758   -423.70384    -663.1256     43.89223     987.7506   -1694.7684     2.349799    11.523597    2.1775994      13990.5 
+     450    -624.6774   -662.88749    38.210092    1374.9123    1108.7784   -665.43272    46.964156    982.35233   -1694.7492    2.5452316    11.002239     2.001871      13990.5 
+     500   -624.30227   -661.97992    37.677648    1355.7533   -998.38049   -664.60501    42.373269    987.58935   -1694.5676    2.6250971    11.151918    2.8270144      13990.5 
+Loop time of 1.9161 on 4 procs for 500 steps with 432 atoms
+
+Performance: 45.092 ns/day, 0.532 hours/ns, 260.946 timesteps/s
+98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.3101     | 1.4046     | 1.5088     |   5.9 | 73.31
+Bond    | 0.00073409 | 0.00074953 | 0.00076699 |   0.0 |  0.04
+Kspace  | 0.20996    | 0.30779    | 0.39708    |  12.0 | 16.06
+Neigh   | 0.065428   | 0.065516   | 0.065591   |   0.0 |  3.42
+Comm    | 0.12002    | 0.12628    | 0.13124    |   1.2 |  6.59
+Output  | 0.00047278 | 0.00062203 | 0.0010662  |   0.0 |  0.03
+Modify  | 0.0061893  | 0.0064721  | 0.0066924  |   0.2 |  0.34
+Other   |            | 0.004042   |            |       |  0.21
+
+Nlocal:    108 ave 119 max 102 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Nghost:    6516 ave 6545 max 6491 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Neighs:    74337.8 ave 81248 max 69989 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+
+Total # of neighbors = 297351
+Ave neighs/atom = 688.312
+Ave special neighs/atom = 1
+Neighbor list builds = 22
+Dangerous builds = 0
+
+unfix thermoberendsen
+unfix nve
+
+fix npt_equ all npt temp 1427 1427 0.04 iso 0 0 0.4
+fix_modify npt_equ temp CStemp press thermo_press_lmp # pressure for correct kinetic scalar
+
+run 500
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.175257
+  estimated absolute RMS force accuracy = 1.49563e-05
+  estimated relative force accuracy = 1.03866e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 15.59 | 15.65 | 15.84 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+     500   -624.30215   -661.97992    37.677763    1355.7575   -998.38049   -664.60501    42.373269    987.58935   -1694.5676    2.6250971    11.151918    2.8270144      13990.5 
+     550   -615.79609   -659.53283    43.736746    1573.7776    1474.8922   -662.39181    46.806896    985.54114   -1694.7399     2.858983    11.812288    2.0388938    13959.445 
+     600   -620.14312   -658.02816     37.88504    1363.2159    -1969.137   -660.59055    39.918958    994.06227   -1694.5718    2.5623852    10.344301    1.7265857    14345.491 
+     650    -614.8194   -655.14772    40.328319    1451.1323    1362.2165   -658.04338    47.289196    989.28021   -1694.6128    2.8956629     12.77476    2.1533941    14308.181 
+     700   -620.02982   -659.67169    39.641877    1426.4321    437.18253   -662.22416    45.260412    986.94645    -1694.431    2.5524634     10.78512    2.0136405    14434.476 
+     750   -616.07569   -654.50017    38.424477    1382.6265   -256.57498   -657.55133    43.657506    993.54515    -1694.754    3.0511562    11.572553    3.3391993    14823.696 
+     800   -614.14966   -652.72914    38.579477    1388.2038   -584.44437   -655.14057    42.618194    996.80921    -1694.568    2.4114337    10.916418    1.4113651    15315.148 
+     850   -612.16455   -653.84169    41.677135    1499.6667   -441.98725   -656.42973    42.922374    995.29998   -1694.6521    2.5880353    11.829353     2.135168    15445.115 
+     900    -615.1092   -656.96201     41.85281     1505.988     374.2354   -659.60969     44.82627    989.96538   -1694.4013    2.6476821    11.074704    1.5105804    14959.613 
+     950   -620.11829   -657.30032     37.18203    1337.9196    237.21273   -659.92487    44.925824    990.04501   -1694.8957    2.6245445    11.636019    2.6504684    14536.194 
+    1000   -614.74144   -660.36077    45.619322    1641.5183    890.12037   -663.18359    45.139971    986.56616   -1694.8897    2.8228194    11.867666    2.4545613    14093.503 
+Loop time of 1.93169 on 4 procs for 500 steps with 432 atoms
+
+Performance: 44.728 ns/day, 0.537 hours/ns, 258.841 timesteps/s
+98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.239      | 1.3639     | 1.4951     |   8.2 | 70.61
+Bond    | 0.0009706  | 0.0010555  | 0.0010962  |   0.2 |  0.05
+Kspace  | 0.22414    | 0.34623    | 0.46491    |  15.4 | 17.92
+Neigh   | 0.069416   | 0.069507   | 0.06959    |   0.0 |  3.60
+Comm    | 0.11461    | 0.12363    | 0.13004    |   1.6 |  6.40
+Output  | 0.00040793 | 0.0006547  | 0.001394   |   0.0 |  0.03
+Modify  | 0.022097   | 0.022964   | 0.023674   |   0.4 |  1.19
+Other   |            | 0.003751   |            |       |  0.19
+
+Nlocal:    108 ave 130 max 94 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+Nghost:    6344.5 ave 6406 max 6272 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    72679.5 ave 88315 max 61830 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+
+Total # of neighbors = 290718
+Ave neighs/atom = 672.958
+Ave special neighs/atom = 1
+Neighbor list builds = 24
+Dangerous builds = 0
+
+unfix npt_equ
+
+# ------------------------ Dynamic Run -------------------------------
+
+fix npt_dyn all npt temp 1427 1427 0.04 iso 0 0 0.4
+fix_modify npt_dyn temp CStemp press thermo_press_lmp # pressure for correct kinetic scalar
+run 1000
+Ewald initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.17523
+  estimated absolute RMS force accuracy = 1.49925e-05
+  estimated relative force accuracy = 1.04117e-06
+  KSpace vectors: actual max1d max3d = 257 5 665
+                  kxmax kymax kzmax  = 5 5 5
+Per MPI rank memory allocation (min/avg/max) = 15.59 | 15.71 | 15.84 Mbytes
+Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
+    1000   -614.74144   -660.36077    45.619322    1641.5183    897.55556   -663.18359    45.139971    986.31352   -1694.6371    2.8228194    11.867665    2.4545613    14093.503 
+    1050   -618.94984   -658.03173    39.081888    1406.2821    5.4174147   -660.68647     43.84377    989.81944   -1694.3497    2.6547475    10.009866    1.6559553    14124.735 
+    1100     -616.115   -652.50083    36.385826    1309.2698    246.27221   -655.60386    44.678646    993.96562   -1694.2481    3.1030335    12.845497    2.1365385    14269.044 
+    1150   -612.77698   -655.40444    42.627458    1533.8622   -394.23637   -658.16511    42.232098    993.95417   -1694.3514    2.7606635    10.588799    2.0797438    14526.576 
+    1200   -614.12785   -652.61572    38.487865    1384.9074   -1232.5709   -655.35877    40.844849    997.88225   -1694.0859    2.7430549    11.246738    2.4837618    14939.435 
+    1250   -612.01665   -651.53067    39.514016    1421.8313   -532.88057   -654.28679    42.767165     997.1403   -1694.1943    2.7561288    12.258706    3.8726564    15369.672 
+    1300   -616.56459   -654.91454    38.349957     1379.945   -41.331568   -657.57515    44.211159    992.57496   -1694.3613    2.6606091    11.147615    2.3545887    15492.237 
+    1350   -609.61162   -652.77366    43.162036    1553.0979    672.33089   -655.82423    44.690532    993.39227    -1693.907    3.0505702    11.680426    1.9918324    15294.141 
+    1400   -616.08355   -652.13969    36.056138    1297.4066   -1202.7428   -654.77053    41.470863     998.3537   -1694.5951    2.6308398     10.12054    1.9139605    15206.436 
+    1450   -613.53416   -655.92542    42.391264    1525.3632   -225.70273   -658.53945    42.800387    993.30095   -1694.6408      2.61403    10.475263    1.5543043    14786.088 
+    1500   -618.90281   -658.01769    39.114877    1407.4691    1689.1895   -660.56762    47.983304    985.87237   -1694.4233    2.5499298    12.160031     2.121879     14225.24 
+    1550   -619.95625   -660.95261    40.996357    1475.1703    162.48311   -663.63715    44.435076    986.14893   -1694.2212    2.6845396    11.400162    2.1028833    14097.469 
+    1600   -621.01142   -658.90113    37.889708    1363.3839   -1426.7573   -661.45407    41.336331    991.32904   -1694.1194    2.5529431     10.96667    1.8785672    14124.398 
+    1650   -616.93204   -657.21145     40.27941    1449.3725    1600.8152   -659.95623    47.433021    987.26391   -1694.6532    2.7447834    12.068379    2.0232824     13868.26 
+    1700   -613.94971   -656.25711    42.307399    1522.3455   -17.243012   -658.67143    43.416284    992.19931    -1694.287    2.4143179     10.33501    1.9231274    14268.199 
+    1750   -614.52671   -652.83727    38.310551    1378.5271   -1505.7623    -655.2978    40.639683    998.21477   -1694.1523    2.4605373    10.777496    1.8915025    14892.754 
+    1800   -608.85779   -650.27052    41.412727    1490.1526   -426.82921   -653.21627    42.824093    998.13559    -1694.176    2.9457492    12.624136    2.1758155    15177.014 
+    1850    -614.3254   -653.44307    39.117675    1407.5698   -10.449183   -656.43604      44.1397    993.33969   -1693.9154     2.992966    11.306721    2.0406266    14987.262 
+    1900    -617.0898    -655.8162    38.726395    1393.4904   -810.27608   -658.56819    42.357417    993.51569   -1694.4413     2.751989    11.117505    1.8829772    14850.207 
+    1950   -615.58194   -657.41631    41.834372    1505.3246    1466.9904   -660.21529    47.446402    986.51421   -1694.1759    2.7989828    12.408148    2.0449602    14609.998 
+    2000   -617.98223   -655.26933    37.287095    1341.7001   -728.80528   -658.12982    42.660772    993.38817   -1694.1788    2.8604933    11.117049    2.0691895    14608.511 
+Loop time of 4.08624 on 4 procs for 1000 steps with 432 atoms
+
+Performance: 42.288 ns/day, 0.568 hours/ns, 244.724 timesteps/s
+97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5272     | 2.7629     | 3.169      |  14.9 | 67.62
+Bond    | 0.001961   | 0.0021452  | 0.0023017  |   0.3 |  0.05
+Kspace  | 0.48303    | 0.85591    | 1.0735     |  24.7 | 20.95
+Neigh   | 0.14933    | 0.14943    | 0.14956    |   0.0 |  3.66
+Comm    | 0.22499    | 0.25699    | 0.27433    |   3.8 |  6.29
+Output  | 0.00085068 | 0.001357   | 0.0028689  |   2.4 |  0.03
+Modify  | 0.048769   | 0.049731   | 0.051893   |   0.6 |  1.22
+Other   |            | 0.00775    |            |       |  0.19
+
+Nlocal:    108 ave 118 max 100 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Nghost:    6291.25 ave 6323 max 6256 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Neighs:    71221.2 ave 77896 max 66643 min
+Histogram: 1 1 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 284885
+Ave neighs/atom = 659.456
+Ave special neighs/atom = 1
+Neighbor list builds = 50
+Dangerous builds = 0
+Total wall time: 0:00:07
diff --git a/examples/coreshell/log.22Sep17.coreshell.wolf.g++.1 b/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1
similarity index 51%
rename from examples/coreshell/log.22Sep17.coreshell.wolf.g++.1
rename to examples/coreshell/log.27Nov18.coreshell.wolf.g++.1
index 35c30913fc..de23733aca 100644
--- a/examples/coreshell/log.22Sep17.coreshell.wolf.g++.1
+++ b/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (22 Sep 2017)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Testsystem for core-shell model compared to Mitchel and Finchham
 # Shamelessly copied from in.coreshell.dsf but this script uses Wolf summation.
 
@@ -92,31 +93,31 @@ run 500
 Per MPI rank memory allocation (min/avg/max) = 8.59 | 8.59 | 8.59 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
        0   -637.41039   -677.06805    39.657659         1427   -21302.622   -677.06805    1.6320365   -678.70009            0            0 1.2935454e-14 3.3306691e-15      13990.5 
-      50   -635.62711   -667.67134    32.044236    1153.0465   -4533.0717   -669.45724     37.76997   -707.22721            0    1.7858939    9.6844521    2.2001656      13990.5 
+      50   -635.62711   -667.67134    32.044236    1153.0465   -4533.0717   -669.45724     37.76997   -707.22721            0    1.7858938     9.684452    2.2001656      13990.5 
      100   -632.76337   -662.83035    30.066977    1081.8989   -3492.8736   -664.98454    39.197093   -704.18164            0    2.1541967    11.063962    2.1543406      13990.5 
-     150   -630.82538   -663.70056    32.875182    1182.9464   -74.330324   -666.12202    46.263665   -712.38569            0    2.4214607    11.739683    2.7558416      13990.5 
+     150   -630.82538   -663.70056    32.875182    1182.9464    -74.33032   -666.12202    46.263665   -712.38569            0    2.4214607    11.739683    2.7558416      13990.5 
      200    -629.1541   -664.54637     35.39227    1273.5187   -1707.5508   -666.87772    41.796197   -708.67391            0    2.3313445    10.594804    3.0025376      13990.5 
-     250   -627.86587   -662.60879    34.742918    1250.1531   -1258.7537   -665.21416    43.017024   -708.23118            0    2.6053655    10.576999    1.8400986      13990.5 
+     250   -627.86587   -662.60879    34.742918    1250.1531   -1258.7537   -665.21416    43.017024   -708.23118            0    2.6053655    10.576999    1.8400987      13990.5 
      300   -627.10755   -664.12897    37.021419    1332.1403   -1891.3466   -666.39618    40.769593   -707.16577            0    2.2672094     9.412943    1.2434258      13990.5 
-     350   -626.27558   -665.04303    38.767448    1394.9676   -1436.8514   -667.47081    41.854746   -709.32556            0    2.4277827    10.304721     1.977594      13990.5 
+     350   -626.27558   -665.04303    38.767449    1394.9676   -1436.8514   -667.47081    41.854746   -709.32556            0    2.4277827    10.304721     1.977594      13990.5 
      400   -625.55098   -661.86388    36.312896    1306.6455   -331.92076    -664.4632    44.426542   -708.88975            0     2.599325    11.081635    2.1734468      13990.5 
-     450   -624.88626   -661.07359    36.187328    1302.1272    -2325.834    -663.6031    39.662697   -703.26579            0    2.5295037    9.9810051    1.3068929      13990.5 
-     500   -623.87093   -660.24145    36.370525    1308.7192    410.85324   -662.86944    45.869201   -708.73864            0    2.6279856    10.592785    1.8162326      13990.5 
-Loop time of 11.7065 on 1 procs for 500 steps with 432 atoms
+     450   -624.88626   -661.07359    36.187328    1302.1272    -2325.834    -663.6031    39.662697   -703.26579            0    2.5295037    9.9810051    1.3068928      13990.5 
+     500   -623.87093   -660.24145    36.370525    1308.7192    410.85327   -662.86944    45.869201   -708.73864            0    2.6279857    10.592786    1.8162328      13990.5 
+Loop time of 9.56959 on 1 procs for 500 steps with 432 atoms
 
-Performance: 7.381 ns/day, 3.252 hours/ns, 42.711 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 9.029 ns/day, 2.658 hours/ns, 52.249 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 11.535     | 11.535     | 11.535     |   0.0 | 98.54
-Bond    | 0.001443   | 0.001443   | 0.001443   |   0.0 |  0.01
-Neigh   | 0.10952    | 0.10952    | 0.10952    |   0.0 |  0.94
-Comm    | 0.048796   | 0.048796   | 0.048796   |   0.0 |  0.42
-Output  | 0.00038695 | 0.00038695 | 0.00038695 |   0.0 |  0.00
-Modify  | 0.0067511  | 0.0067511  | 0.0067511  |   0.0 |  0.06
-Other   |            | 0.004243   |            |       |  0.04
+Pair    | 9.2366     | 9.2366     | 9.2366     |   0.0 | 96.52
+Bond    | 0.0020828  | 0.0020828  | 0.0020828  |   0.0 |  0.02
+Neigh   | 0.22581    | 0.22581    | 0.22581    |   0.0 |  2.36
+Comm    | 0.087387   | 0.087387   | 0.087387   |   0.0 |  0.91
+Output  | 0.00043035 | 0.00043035 | 0.00043035 |   0.0 |  0.00
+Modify  | 0.013176   | 0.013176   | 0.013176   |   0.0 |  0.14
+Other   |            | 0.004087   |            |       |  0.04
 
 Nlocal:    432 ave 432 max 432 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -138,53 +139,53 @@ unfix thermoberendsen
 run 1000
 Per MPI rank memory allocation (min/avg/max) = 8.59 | 8.59 | 8.59 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-     500   -623.87093   -660.24145    36.370525    1308.7192    410.85324   -662.86944    45.869201   -708.73864            0    2.6279856    10.592785    1.8162326      13990.5 
-     550   -623.95762   -659.99899    36.041371    1296.8752   -442.62446   -662.68699    44.004419   -706.69141            0    2.6879934    10.936057    1.7358509      13990.5 
-     600   -624.04214   -661.21748    37.175332    1337.6785    47.615854   -663.76133    45.009742   -708.77107            0    2.5438549    11.431366    2.1185464      13990.5 
-     650   -623.98279   -661.85255     37.86976    1362.6661   -1708.3823   -664.31138    40.933446   -705.24482            0    2.4588298    9.7960191    1.4159904      13990.5 
-     700   -624.02941   -661.57484     37.54543    1350.9958   -124.09512   -663.95322    44.666402   -708.61962            0    2.3783801    10.518712    2.0854584      13990.5 
-     750   -624.03935   -661.11619    37.076837    1334.1344   -1163.2721   -663.82553      42.1219   -705.94743            0    2.7093404    10.634859    1.9381654      13990.5 
-     800   -623.98709   -659.43647     35.44938    1275.5737   -285.65702   -662.23782    44.650233   -706.88805            0    2.8013482     11.83459    3.4506407      13990.5 
-     850   -623.96081   -661.77923    37.818422    1360.8188   -814.33212   -664.38161    42.860208   -707.24181            0    2.6023728    10.766451    2.9211132      13990.5 
-     900   -623.96136   -662.98419    39.022831     1404.157    308.13105   -665.65877    45.053188   -710.71195            0    2.6745786    11.028799    1.8494322      13990.5 
-     950   -623.91048   -660.63828      36.7278     1321.575   -445.31526   -663.79806     43.94833   -707.74639            0    3.1597729    11.852051    1.8238458      13990.5 
-    1000   -623.90541   -661.03474    37.129332    1336.0233    522.57958   -663.50212    45.863261   -709.36538            0    2.4673781    10.949291    1.8614095      13990.5 
-    1050   -624.01134   -660.99076    36.979422    1330.6291   -1710.2829   -663.67762    41.056102   -704.73372            0    2.6868521     10.86533    2.2154165      13990.5 
-    1100   -624.02639   -660.86661    36.840225    1325.6204    1151.0236    -663.5066    47.207185   -710.71378            0    2.6399847    11.298044    1.8900703      13990.5 
-    1150   -624.04418   -661.29819    37.254006    1340.5094    161.09847   -663.73735    45.222561   -708.95991            0    2.4391651    11.261119    2.2245673      13990.5 
-    1200   -624.08628   -662.39932    38.313043    1378.6168   -1405.0927   -664.93121    41.728112   -706.65933            0    2.5318927    10.458041    2.1153159      13990.5 
-    1250   -624.03036   -661.25661    37.226248    1339.5106    63.407721   -663.72719    45.086961   -708.81415            0    2.4705832    11.766021    2.2297809      13990.5 
-    1300   -623.97475   -661.55998    37.585229    1352.4278   -763.66781   -663.80645    42.870244    -706.6767            0    2.2464703    10.098322    1.7614596      13990.5 
-    1350   -623.93123   -660.30786    36.376631    1308.9389   -2389.8052   -663.04725    39.749029   -702.79628            0    2.7393936    10.879364    2.6622521      13990.5 
-    1400   -623.86468   -658.44644    34.581765    1244.3543    2262.7586   -660.95368     50.10608   -711.05976            0    2.5072434    11.528291    1.7861906      13990.5 
-    1450   -623.85494   -661.47216    37.617217    1353.5789   -1435.0174   -664.13587    41.701767   -705.83764            0    2.6637191    11.297444    2.0038345      13990.5 
-    1500   -623.79928   -659.70124    35.901959    1291.8588   -198.39562   -662.57415    44.358482   -706.93263            0     2.872907    11.075746    2.2821286      13990.5 
-Loop time of 23.4119 on 1 procs for 1000 steps with 432 atoms
+     500   -623.87093   -660.24145    36.370525    1308.7192    410.85327   -662.86944    45.869201   -708.73864            0    2.6279857    10.592786    1.8162328      13990.5 
+     550   -623.95762   -659.99899    36.041371    1296.8752   -442.62441   -662.68699    44.004419   -706.69141            0    2.6879934    10.936057    1.7358509      13990.5 
+     600   -624.04214   -661.21748    37.175332    1337.6785     47.61587   -663.76133    45.009742   -708.77107            0    2.5438549    11.431366    2.1185465      13990.5 
+     650   -623.98279   -661.85255     37.86976    1362.6661   -1708.3824   -664.31138    40.933446   -705.24482            0    2.4588297    9.7960192    1.4159906      13990.5 
+     700   -624.02941   -661.57484    37.545431    1350.9958   -124.09619   -663.95322    44.666399   -708.61962            0    2.3783802    10.518712    2.0854583      13990.5 
+     750   -624.03935   -661.11619    37.076842    1334.1346    -1163.274   -663.82553    42.121895   -705.94743            0      2.70934    10.634855    1.9381646      13990.5 
+     800   -623.98709   -659.43647    35.449379    1275.5736   -285.65541   -662.23781    44.650237   -706.88805            0    2.8013481     11.83459    3.4506393      13990.5 
+     850   -623.96081   -661.77923     37.81842    1360.8187   -814.33165    -664.3816    42.860208   -707.24181            0    2.6023716    10.766441    2.9211138      13990.5 
+     900   -623.96136    -662.9842     39.02284    1404.1573     308.1419   -665.65877    45.053211   -710.71198            0     2.674576    11.028802    1.8494293      13990.5 
+     950   -623.91049   -660.63827    36.727782    1321.5743   -445.29549   -663.79804    43.948376   -707.74641            0    3.1597692    11.852029    1.8238312      13990.5 
+    1000   -623.90541   -661.03472    37.129304    1336.0223    522.59285   -663.50211      45.8633   -709.36541            0    2.4673901    10.949322    1.8613502      13990.5 
+    1050   -624.01134   -660.99086    36.979522    1330.6327   -1710.3266    -663.6777    41.055997    -704.7337            0    2.6868396    10.865335    2.2154562      13990.5 
+    1100   -624.02639   -660.86653    36.840144    1325.6175    1151.2194   -663.50657    47.207655   -710.71423            0    2.6400422    11.298226    1.8901962      13990.5 
+    1150   -624.04418   -661.29792    37.253732    1340.4996    161.18555    -663.7371    45.222823   -708.95992            0    2.4391845     11.26132    2.2249572      13990.5 
+    1200   -624.08629   -662.39857    38.312276    1378.5891   -1404.3216   -664.93056    41.729944    -706.6605            0    2.5319943     10.45796    2.1150356      13990.5 
+    1250   -624.03031   -661.25639    37.226081    1339.5046    61.673399   -663.72681    45.083327   -708.81014            0    2.4704185    11.764377    2.2300033      13990.5 
+    1300   -623.97477   -661.56221    37.587436    1352.5072   -766.14948    -663.8091    42.864064   -706.67316            0    2.2468911    10.098925    1.7609776      13990.5 
+    1350   -623.93106    -660.2936    36.362535    1308.4317   -2387.7331   -663.03485    39.756427   -702.79127            0    2.7412491     10.88663      2.66284      13990.5 
+    1400   -623.86405   -658.43845    34.574407    1244.0896    2274.8627    -660.9465    50.133006    -711.0795            0    2.5080438    11.530504    1.7943496      13990.5 
+    1450   -623.85491   -661.52972    37.674807    1355.6511   -1417.2183   -664.20085    41.731022   -705.93187            0    2.6711331    11.299254    1.9911762      13990.5 
+    1500   -623.80036   -659.86071    36.060348    1297.5581   -193.90288   -662.71759    44.340486   -707.05807            0    2.8568759    11.042693    2.2234298      13990.5 
+Loop time of 19.4477 on 1 procs for 1000 steps with 432 atoms
 
-Performance: 7.381 ns/day, 3.252 hours/ns, 42.713 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 8.885 ns/day, 2.701 hours/ns, 51.420 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 23.069     | 23.069     | 23.069     |   0.0 | 98.54
-Bond    | 0.0029275  | 0.0029275  | 0.0029275  |   0.0 |  0.01
-Neigh   | 0.22821    | 0.22821    | 0.22821    |   0.0 |  0.97
-Comm    | 0.097941   | 0.097941   | 0.097941   |   0.0 |  0.42
-Output  | 0.00074033 | 0.00074033 | 0.00074033 |   0.0 |  0.00
-Modify  | 0.0042015  | 0.0042015  | 0.0042015  |   0.0 |  0.02
-Other   |            | 0.00865    |            |       |  0.04
+Pair    | 18.754     | 18.754     | 18.754     |   0.0 | 96.43
+Bond    | 0.0046136  | 0.0046136  | 0.0046136  |   0.0 |  0.02
+Neigh   | 0.49116    | 0.49116    | 0.49116    |   0.0 |  2.53
+Comm    | 0.17734    | 0.17734    | 0.17734    |   0.0 |  0.91
+Output  | 0.00094318 | 0.00094318 | 0.00094318 |   0.0 |  0.00
+Modify  | 0.007426   | 0.007426   | 0.007426   |   0.0 |  0.04
+Other   |            | 0.0122     |            |       |  0.06
 
 Nlocal:    432 ave 432 max 432 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    9388 ave 9388 max 9388 min
+Nghost:    9382 ave 9382 max 9382 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    297212 ave 297212 max 297212 min
+Neighs:    297191 ave 297191 max 297191 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 297212
-Ave neighs/atom = 687.991
+Total # of neighbors = 297191
+Ave neighs/atom = 687.942
 Ave special neighs/atom = 1
 Neighbor list builds = 45
 Dangerous builds = 0
-Total wall time: 0:00:35
+Total wall time: 0:00:29
diff --git a/examples/coreshell/log.22Sep17.coreshell.wolf.g++.4 b/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4
similarity index 54%
rename from examples/coreshell/log.22Sep17.coreshell.wolf.g++.4
rename to examples/coreshell/log.27Nov18.coreshell.wolf.g++.4
index 84f854cf67..e099e7ca4e 100644
--- a/examples/coreshell/log.22Sep17.coreshell.wolf.g++.4
+++ b/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (22 Sep 2017)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Testsystem for core-shell model compared to Mitchel and Finchham
 # Shamelessly copied from in.coreshell.dsf but this script uses Wolf summation.
 
@@ -94,29 +95,29 @@ Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fm
        0   -637.41039   -677.06805    39.657659         1427   -21302.622   -677.06805    1.6320365   -678.70009            0            0 1.3530839e-14 3.6429193e-15      13990.5 
       50   -635.62704   -667.67108    32.044047    1153.0397   -4532.6842   -669.45828    37.771018    -707.2293            0     1.787201    9.6848095    2.2028349      13990.5 
      100   -632.76343   -662.83014    30.066711    1081.8893   -3493.0827   -664.98212    39.195967   -704.17809            0     2.151977    11.060773    2.1578583      13990.5 
-     150   -630.82533   -663.70172    32.876385    1182.9897   -75.706974   -666.12608    46.261038   -712.38712            0    2.4243598    11.746728    2.7663319      13990.5 
+     150   -630.82533   -663.70172    32.876385    1182.9897   -75.706966   -666.12608    46.261038   -712.38712            0    2.4243598    11.746728    2.7663319      13990.5 
      200   -629.15463   -664.55009    35.395466    1273.6337   -1707.9185   -666.88117    41.794868   -708.67604            0     2.331082    10.596229    3.0031523      13990.5 
-     250   -627.86625   -662.60876    34.742511    1250.1384   -1263.5726     -665.214    43.005742   -708.21974            0    2.6052329    10.572641     1.841604      13990.5 
-     300   -627.10829   -664.12159    37.013298    1331.8481   -1884.8587   -666.39136    40.786141    -707.1775            0    2.2697693    9.4160685    1.2472271      13990.5 
+     250   -627.86625   -662.60876    34.742511    1250.1384   -1263.5726     -665.214    43.005742   -708.21974            0    2.6052329    10.572641    1.8416041      13990.5 
+     300   -627.10829   -664.12159    37.013298    1331.8481   -1884.8587   -666.39136    40.786141    -707.1775            0    2.2697693    9.4160684    1.2472271      13990.5 
      350    -626.2729   -665.01858    38.745682    1394.1844   -1433.1302   -667.44315    41.864785   -709.30793            0    2.4245625    10.312641    1.9815612      13990.5 
-     400   -625.54274   -661.84438    36.301638    1306.2404   -355.45544    -664.4483    44.370671   -708.81897            0    2.6039276    11.076154    2.1819703      13990.5 
-     450   -624.88802   -661.12299    36.234964    1303.8413   -2356.6101    -663.6463     39.57847   -703.22477            0     2.523314    9.8995886    1.3113549      13990.5 
-     500   -623.86344   -660.20235    36.338906    1307.5814    462.72862    -662.8515    45.983055   -708.83455            0    2.6491489    10.523732    1.6709561      13990.5 
-Loop time of 4.63313 on 4 procs for 500 steps with 432 atoms
+     400   -625.54274   -661.84438    36.301638    1306.2404   -355.45544    -664.4483    44.370671   -708.81897            0    2.6039277    11.076154    2.1819702      13990.5 
+     450   -624.88802   -661.12299    36.234964    1303.8413   -2356.6102    -663.6463     39.57847   -703.22477            0     2.523314    9.8995886    1.3113549      13990.5 
+     500   -623.86344   -660.20235    36.338906    1307.5814    462.72863    -662.8515    45.983055   -708.83455            0    2.6491489    10.523732    1.6709561      13990.5 
+Loop time of 3.06159 on 4 procs for 500 steps with 432 atoms
 
-Performance: 18.648 ns/day, 1.287 hours/ns, 107.919 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 28.221 ns/day, 0.850 hours/ns, 163.314 timesteps/s
+95.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.8133     | 3.5934     | 4.4255     |  36.3 | 77.56
-Bond    | 0.00042245 | 0.00050305 | 0.00059825 |   0.0 |  0.01
-Neigh   | 0.0411     | 0.041561   | 0.04202    |   0.2 |  0.90
-Comm    | 0.15622    | 0.9884     | 1.7686     |  69.2 | 21.33
-Output  | 0.00028311 | 0.00031345 | 0.00040011 |   0.0 |  0.01
-Modify  | 0.0039899  | 0.00403    | 0.0040654  |   0.0 |  0.09
-Other   |            | 0.004911   |            |       |  0.11
+Pair    | 2.3967     | 2.4786     | 2.5323     |   3.3 | 80.96
+Bond    | 0.00078011 | 0.00080734 | 0.00087595 |   0.0 |  0.03
+Neigh   | 0.065675   | 0.065807   | 0.06593    |   0.0 |  2.15
+Comm    | 0.43311    | 0.49538    | 0.58587    |   8.0 | 16.18
+Output  | 0.00041747 | 0.00060827 | 0.0011797  |   0.0 |  0.02
+Modify  | 0.0073676  | 0.016077   | 0.024872   |   6.9 |  0.53
+Other   |            | 0.004283   |            |       |  0.14
 
 Nlocal:    108 ave 112 max 106 min
 Histogram: 2 0 0 1 0 0 0 0 0 1
@@ -138,53 +139,53 @@ unfix thermoberendsen
 run 1000
 Per MPI rank memory allocation (min/avg/max) = 6.884 | 7.01 | 7.138 Mbytes
 Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-     500   -623.86344   -660.20235    36.338906    1307.5814    462.72862    -662.8515    45.983055   -708.83455            0    2.6491489    10.523732    1.6709561      13990.5 
-     550   -623.95339   -660.07946    36.126069    1299.9229   -362.67288    -662.8047    44.180832   -706.98553            0     2.725239     11.07199    2.0461377      13990.5 
-     600   -624.04508   -661.27298    37.227902    1339.5701    110.39823   -663.90927    45.166569   -709.07584            0    2.6362911    11.747923    2.1846828      13990.5 
+     500   -623.86344   -660.20235    36.338906    1307.5814    462.72863    -662.8515    45.983055   -708.83455            0    2.6491489    10.523732    1.6709561      13990.5 
+     550   -623.95339   -660.07946    36.126069    1299.9229   -362.67285    -662.8047    44.180832   -706.98553            0     2.725239     11.07199    2.0461376      13990.5 
+     600   -624.04508   -661.27298    37.227902    1339.5701    110.39822   -663.90927    45.166569   -709.07584            0    2.6362911    11.747923    2.1846828      13990.5 
      650    -623.9608   -661.50573    37.544934    1350.9779   -1594.4701   -663.91531    41.226571   -705.14188            0    2.4095736    10.022027    1.6264014      13990.5 
-     700   -624.00658   -663.55636    39.549777    1423.1181    -588.9804   -665.88666    43.124023   -709.01068            0    2.3302979     9.924587    2.1027837      13990.5 
-     750   -623.99813   -659.97695    35.978816    1294.6243    -364.1415   -662.75959    43.973556   -706.73315            0     2.782646    11.487832    1.8799695      13990.5 
-     800   -624.01235   -661.04908    37.036728    1332.6911   -85.655852   -663.49204    44.570117   -708.06215            0    2.4429547    11.213149    1.6792926      13990.5 
-     850   -624.02581   -659.39933    35.373519     1272.844   -1090.9179   -662.11969    42.375064   -704.49476            0    2.7203673    11.214629    2.2907474      13990.5 
-     900   -624.09244   -663.33386    39.241421    1412.0225    303.76207   -666.00593    45.332458   -711.33839            0    2.6720667    11.897188    2.0599033      13990.5 
-     950   -624.04544   -661.11578    37.070341    1333.9007    1637.6438   -663.61305     48.65892   -712.27197            0      2.49727    12.343774     2.429225      13990.5 
-    1000   -623.95457   -661.51816    37.563586    1351.6491   -851.77182   -663.83594    42.813468   -706.64941            0     2.317782    10.251422    1.6922864      13990.5 
-    1050   -623.98731   -662.01988    38.032562    1368.5242   -2123.9075   -664.72609    39.917382   -704.64348            0     2.706218     9.600838    1.7365559      13990.5 
-    1100    -623.9653   -659.32023    35.354929    1272.1751   -436.90576   -662.14454    44.057776   -706.20232            0    2.8243167    11.267546    2.6807602      13990.5 
-    1150   -624.02273   -665.13902    41.116293     1479.486   -128.13268    -667.4769    44.013761   -711.49066            0    2.3378768    10.406604    1.5102324      13990.5 
-    1200   -623.97328   -663.08042    39.107135    1407.1905   -539.63284   -665.67946    43.319308   -708.99877            0     2.599042    10.632657    1.4608707      13990.5 
-    1250   -623.92529   -661.81902    37.893723    1363.5284    1708.0621   -664.63624    48.396874   -713.03311            0    2.8172251    11.369352    1.8836979      13990.5 
-    1300   -623.99283   -662.19734    38.204509    1374.7114   -820.77291   -664.34556    42.656202   -707.00176            0    2.1482151    10.186898    1.7081329      13990.5 
-    1350   -623.99798   -658.70752    34.709535    1248.9519    776.28486   -662.01647    46.925412   -708.94188            0    3.3089536    12.457581    2.5027978      13990.5 
-    1400   -623.96941   -662.15959    38.190183    1374.1959    880.21756   -664.90452    46.628183    -711.5327            0    2.7449282    11.918894    3.0466188      13990.5 
-    1450   -623.95068   -662.25435    38.303671    1378.2795   -391.56711    -664.7631    43.644066   -708.40716            0    2.5087493    10.465803    1.8744864      13990.5 
-    1500   -624.00637   -661.48756    37.481185     1348.684    430.69453   -664.32151    45.704366   -710.02587            0    2.8339501    11.650821    2.0752813      13990.5 
-Loop time of 6.7003 on 4 procs for 1000 steps with 432 atoms
+     700   -624.00658   -663.55636    39.549777    1423.1181   -588.98052   -665.88666    43.124023   -709.01068            0    2.3302979    9.9245872    2.1027837      13990.5 
+     750   -623.99813   -659.97694    35.978814    1294.6243   -364.14087   -662.75959    43.973558   -706.73315            0     2.782646    11.487833    1.8799696      13990.5 
+     800   -624.01235   -661.04908     37.03673    1332.6912    -85.65751   -663.49204    44.570113   -708.06215            0    2.4429544    11.213146    1.6792935      13990.5 
+     850   -624.02581   -659.39932    35.373517    1272.8439   -1090.9176   -662.11969    42.375065   -704.49476            0    2.7203674     11.21463    2.2907477      13990.5 
+     900   -624.09244   -663.33388    39.241435    1412.0231    303.76293   -666.00594    45.332457    -711.3384            0    2.6720661     11.89718    2.0599025      13990.5 
+     950   -624.04544   -661.11578    37.070343    1333.9007    1637.6353   -663.61305      48.6589   -712.27195            0    2.4972693    12.343765    2.4292305      13990.5 
+    1000   -623.95457   -661.51817    37.563599    1351.6495   -851.76774   -663.83595    42.813476   -706.64943            0    2.3177804    10.251415    1.6922809      13990.5 
+    1050   -623.98731   -662.01986    38.032541    1368.5235    -2123.915   -664.72608    39.917367   -704.64345            0    2.7062234    9.6008351    1.7364324      13990.5 
+    1100    -623.9653    -659.3203    35.355002    1272.1777   -436.97572   -662.14462     44.05761   -706.20223            0    2.8243234    11.267511    2.6807914      13990.5 
+    1150   -624.02272   -665.13875    41.116028    1479.4764   -128.02349   -667.47666    44.014064   -711.49073            0     2.337912    10.406786    1.5105446      13990.5 
+    1200   -623.97327   -663.08066    39.107391    1407.1997   -539.90459   -665.67972    43.318696   -708.99842            0    2.5990577    10.632743    1.4609102      13990.5 
+    1250   -623.92529   -661.81994    37.894649    1363.5617    1707.6307   -664.63708     48.39571   -713.03279            0    2.8171362    11.368475    1.8834293      13990.5 
+    1300   -623.99279   -662.19655    38.203765    1374.6846    -820.5362   -664.34485    42.656892   -707.00174            0    2.1482931    10.187738    1.7086422      13990.5 
+    1350   -623.99805   -658.70847    34.710418    1248.9836    775.25351   -662.01721    46.922474   -708.93969            0    3.3087449    12.454651    2.5036539      13990.5 
+    1400   -623.96952   -662.16086    38.191338    1374.2374    880.29949   -664.90588    46.628569   -711.53444            0    2.7450171    11.920421    3.0464811      13990.5 
+    1450    -623.9503   -662.26105    38.310754    1378.5344   -394.54404   -664.76894    43.635444   -708.40439            0    2.5078923    10.460115    1.8699789      13990.5 
+    1500   -624.00558    -661.4861    37.480516      1348.66    438.34419   -664.32045    45.721579   -710.04203            0    2.8343497    11.655942    2.0688262      13990.5 
+Loop time of 6.53617 on 4 procs for 1000 steps with 432 atoms
 
-Performance: 25.790 ns/day, 0.931 hours/ns, 149.247 timesteps/s
-99.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 26.438 ns/day, 0.908 hours/ns, 152.995 timesteps/s
+93.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.9613     | 6.0752     | 6.2064     |   4.1 | 90.67
-Bond    | 0.00087095 | 0.00088993 | 0.00091671 |   0.0 |  0.01
-Neigh   | 0.06494    | 0.064964   | 0.064987   |   0.0 |  0.97
-Comm    | 0.41743    | 0.54863    | 0.6626     |  13.8 |  8.19
-Output  | 0.00053867 | 0.00059268 | 0.00074867 |   0.0 |  0.01
-Modify  | 0.0013288  | 0.0013592  | 0.0013841  |   0.1 |  0.02
-Other   |            | 0.008613   |            |       |  0.13
+Pair    | 4.8738     | 5.0908     | 5.4162     |  10.1 | 77.89
+Bond    | 0.0016415  | 0.0017839  | 0.0019331  |   0.3 |  0.03
+Neigh   | 0.15882    | 0.15886    | 0.15894    |   0.0 |  2.43
+Comm    | 0.93524    | 1.2478     | 1.4524     |  19.3 | 19.09
+Output  | 0.00097799 | 0.0018684  | 0.0036883  |   2.5 |  0.03
+Modify  | 0.0027459  | 0.0028836  | 0.0030859  |   0.2 |  0.04
+Other   |            | 0.03211    |            |       |  0.49
 
 Nlocal:    108 ave 116 max 102 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
 Nghost:    6504.5 ave 6624 max 6380 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
-Neighs:    74267 ave 79230 max 70993 min
+Neighs:    74267.8 ave 79232 max 70988 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
 
-Total # of neighbors = 297068
-Ave neighs/atom = 687.657
+Total # of neighbors = 297071
+Ave neighs/atom = 687.664
 Ave special neighs/atom = 1
 Neighbor list builds = 45
 Dangerous builds = 0
-Total wall time: 0:00:11
+Total wall time: 0:00:09
diff --git a/examples/coreshell/log.5Oct16.coreshell.g++.1 b/examples/coreshell/log.5Oct16.coreshell.g++.1
deleted file mode 100644
index e1caf994b9..0000000000
--- a/examples/coreshell/log.5Oct16.coreshell.g++.1
+++ /dev/null
@@ -1,209 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Testsystem for core-shell model compared to Mitchel and Finchham
-# Hendrik Heenen, June 2014
-
-# ------------------------ INITIALIZATION ----------------------------
-
-units 		metal
-dimension	3
-boundary	p	p	p
-atom_style	full
-
-# ----------------------- ATOM DEFINITION ----------------------------
-
-fix csinfo all property/atom i_CSID
-read_data data.coreshell fix csinfo NULL CS-Info
-  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  432 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  216 bonds
-  1 = max # of 1-2 neighbors
-  0 = max # of 1-3 neighbors
-  0 = max # of 1-4 neighbors
-  1 = max # of special neighbors
-
-group cores type 1 2
-216 atoms in group cores
-group shells type 3 4
-216 atoms in group shells
-
-neighbor 2.0 bin
-comm_modify vel yes
-
-# ------------------------ FORCE FIELDS ------------------------------
-
-kspace_style ewald 1.0e-6
-pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
-pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
-pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
-pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
-pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
-
-bond_style harmonic
-bond_coeff 1 63.014 0.0
-bond_coeff 2 25.724 0.0
-
-# ------------------------ Equilibration Run -------------------------------
-
-reset_timestep 0
-
-thermo 50
-thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
-
-compute CSequ all temp/cs cores shells
-
-# output via chunk method
-
-#compute prop all property/atom i_CSID
-#compute cs_chunk all chunk/atom c_prop
-#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
-#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
-
-thermo_modify temp CSequ
-
-# velocity bias option
-
-velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CSequ
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 22
-  ghost atom cutoff = 22
-  binsize = 11 -> bins = 3 3 3
-velocity all scale 1427 temp CSequ
-
-fix thermoberendsen all temp/berendsen 1427 1427 0.4
-fix nve all nve
-fix_modify thermoberendsen temp CSequ
-
-# 2 fmsec timestep
-
-timestep 0.002
-run 500
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Memory usage per processor = 15.7472 Mbytes
-Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.7895988e-14 3.594347e-15      13990.5 
-      50   -634.17327   -666.17818    32.004909    1151.6314   -4030.3308   -667.95621    37.809071    989.23282   -1694.9981    1.7780231    9.7133792    2.1917971      13990.5 
-     100   -631.93508   -661.91226    29.977186    1078.6679   -3172.6296    -664.0672    39.333409    991.36934   -1694.7699    2.1549314    11.091424    2.1704389      13990.5 
-     150    -630.1681   -663.12416    32.956057    1185.8565    142.25543   -665.48036    46.253767    982.97455   -1694.7087    2.3561935    11.467914    2.1652594      13990.5 
-     200   -628.62323   -663.64923    35.025998    1260.3391   -1623.5465   -665.96879    41.661877    986.81675   -1694.4474    2.3195587    10.597709    2.9538263      13990.5 
-     250   -627.31045   -662.01825    34.707801    1248.8894   -1510.5567   -664.50313    42.101716    987.90197   -1694.5068    2.4848735    10.392755    1.6933702      13990.5 
-     300   -626.57622   -660.97494    34.398716    1237.7677   -1638.6653   -663.48087    41.653234    989.53228   -1694.6664    2.5059308    11.204363    2.2809764      13990.5 
-     350   -625.91962   -665.35838    39.438756    1419.1232   -1352.4038    -667.6167    41.582459    985.53381    -1694.733    2.2583269     10.83105    1.8963306      13990.5 
-     400   -625.24851   -660.77642    35.527912    1278.3995    -425.3358   -663.12602    43.890329    987.75201   -1694.7684    2.3495978    11.521967    2.1759207      13990.5 
-     450   -624.67742   -662.88674    38.209317    1374.8844    1108.0844   -665.43207    46.964873    982.35206    -1694.749    2.5453361    11.002418    2.0014401      13990.5 
-     500   -624.30218   -661.97851    37.676336    1355.7061   -999.37887   -664.60374    42.373166    987.59022   -1694.5671    2.6252269    11.153982    2.8270477      13990.5 
-Loop time of 8.64071 on 1 procs for 500 steps with 432 atoms
-
-Performance: 9.999 ns/day, 2.400 hours/ns, 57.866 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 7.824      | 7.824      | 7.824      |   0.0 | 90.55
-Bond    | 0.0024104  | 0.0024104  | 0.0024104  |   0.0 |  0.03
-Kspace  | 0.53534    | 0.53534    | 0.53534    |   0.0 |  6.20
-Neigh   | 0.19522    | 0.19522    | 0.19522    |   0.0 |  2.26
-Comm    | 0.066091   | 0.066091   | 0.066091   |   0.0 |  0.76
-Output  | 0.0003643  | 0.0003643  | 0.0003643  |   0.0 |  0.00
-Modify  | 0.011435   | 0.011435   | 0.011435   |   0.0 |  0.13
-Other   |            | 0.005869   |            |       |  0.07
-
-Nlocal:    432 ave 432 max 432 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    9338 ave 9338 max 9338 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    297354 ave 297354 max 297354 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 297354
-Ave neighs/atom = 688.319
-Ave special neighs/atom = 1
-Neighbor list builds = 22
-Dangerous builds = 0
-
-unfix thermoberendsen
-
-# ------------------------ Dynamic Run -------------------------------
-
-run 1000
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Memory usage per processor = 15.7472 Mbytes
-Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-     500   -624.30218   -661.97851    37.676336    1355.7061   -999.37887   -664.60374    42.373166    987.59022   -1694.5671    2.6252269    11.153982    2.8270477      13990.5 
-     550   -624.30708   -662.13355    37.826467    1361.1083    326.46254   -664.76811    45.306636    984.72863   -1694.8034    2.6345547    10.879989    1.9751675      13990.5 
-     600   -624.30994    -661.8449    37.534969    1350.6193   -984.35215   -664.36139    42.366573     987.8789   -1694.6069     2.516489    10.211098    1.7890339      13990.5 
-     650   -624.30501   -659.20596    34.900952    1255.8396     554.8226   -661.96471    46.567453    986.05088    -1694.583    2.7587454     13.15403    2.1657286      13990.5 
-     700   -624.30907   -661.85064    37.541572    1350.8569   -135.38668    -664.3843    44.382641    985.80654   -1694.5735    2.5336521    10.991882    2.0402026      13990.5 
-     750   -624.30999   -660.52853     36.21854    1303.2503    1196.4145   -663.29701    47.437312    984.08773    -1694.822    2.7684838    11.681986    2.0756933      13990.5 
-     800   -624.30488   -659.87594    35.571053    1279.9518    361.87762   -662.81183     45.49882    986.40712   -1694.7178     2.935891    11.519352    3.7801343      13990.5 
-     850   -624.30607   -663.64735    39.341278    1415.6157   -42.214824   -666.11278    44.277011    984.33678   -1694.7266    2.4654311     11.03941    1.9211474      13990.5 
-     900   -624.30048   -659.04455    34.744072    1250.1946    386.10592   -662.10941    45.864611    986.90301    -1694.877    3.0648637    12.126864     2.467969      13990.5 
-     950   -624.30795    -663.3468    39.038856    1404.7337    289.90291   -665.76693     45.27444     983.7762   -1694.8176     2.420128    11.735744     2.053808      13990.5 
-    1000     -624.303    -659.5513    35.248296    1268.3381    -896.7132   -662.30776    42.985505    989.11655   -1694.4098    2.7564586     11.38686    1.8136876      13990.5 
-    1050   -624.30433   -659.21593    34.911606     1256.223    273.26272   -661.98578    45.834363    986.93885    -1694.759    2.7698415    12.201066    1.9804734      13990.5 
-    1100    -624.3035   -660.37975    36.076254    1298.1305      40.2604   -662.88712    45.266447    986.77782   -1694.9314    2.5073688    11.366839    2.2452799      13990.5 
-    1150   -624.30832   -658.16356    33.855242    1218.2119    905.45817   -660.85689    47.381273    986.61927   -1694.8574    2.6933378    13.157497    2.3062872      13990.5 
-    1200   -624.30971   -665.57285    41.263142      1484.77   -2010.9356   -667.71783    39.858615    987.32002   -1694.8965    2.1449751    9.3563352    1.7115187      13990.5 
-    1250    -624.3069   -662.41936    38.112468    1371.3994    223.85833   -665.01906    45.021425    984.67299   -1694.7135    2.5997021    10.137667    1.8129534      13990.5 
-    1300    -624.3116   -661.73044    37.418835    1346.4405    524.83698   -664.46475    45.716001    983.98856   -1694.1693     2.734311    11.475107    2.5468008      13990.5 
-    1350   -624.30917   -661.34529    37.036121    1332.6693    399.81653   -663.86813    45.373759     985.3362   -1694.5781    2.5228434    10.819603    2.2048214      13990.5 
-    1400   -624.31545   -660.75213     36.43668    1311.0996    193.18853   -663.43944    45.172084    985.90744    -1694.519    2.6873128    10.597955    1.9090871      13990.5 
-    1450   -624.30419   -660.88131    36.577122    1316.1532    530.40423   -663.62017     46.21726    984.89723   -1694.7347    2.7388564    12.015146    2.6454091      13990.5 
-    1500   -624.30236   -660.40336    36.100999    1299.0209    -759.2259   -663.48374    43.382233    987.65506    -1694.521    3.0803837     12.48163    2.2113083      13990.5 
-Loop time of 17.2383 on 1 procs for 1000 steps with 432 atoms
-
-Performance: 10.024 ns/day, 2.394 hours/ns, 58.011 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 15.619     | 15.619     | 15.619     |   0.0 | 90.61
-Bond    | 0.0048032  | 0.0048032  | 0.0048032  |   0.0 |  0.03
-Kspace  | 1.068      | 1.068      | 1.068      |   0.0 |  6.20
-Neigh   | 0.39623    | 0.39623    | 0.39623    |   0.0 |  2.30
-Comm    | 0.13052    | 0.13052    | 0.13052    |   0.0 |  0.76
-Output  | 0.00067472 | 0.00067472 | 0.00067472 |   0.0 |  0.00
-Modify  | 0.0071197  | 0.0071197  | 0.0071197  |   0.0 |  0.04
-Other   |            | 0.01175    |            |       |  0.07
-
-Nlocal:    432 ave 432 max 432 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    9327 ave 9327 max 9327 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    297525 ave 297525 max 297525 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 297525
-Ave neighs/atom = 688.715
-Ave special neighs/atom = 1
-Neighbor list builds = 45
-Dangerous builds = 0
-Total wall time: 0:00:25
diff --git a/examples/coreshell/log.5Oct16.coreshell.g++.4 b/examples/coreshell/log.5Oct16.coreshell.g++.4
deleted file mode 100644
index 117b6e08d5..0000000000
--- a/examples/coreshell/log.5Oct16.coreshell.g++.4
+++ /dev/null
@@ -1,209 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Testsystem for core-shell model compared to Mitchel and Finchham
-# Hendrik Heenen, June 2014
-
-# ------------------------ INITIALIZATION ----------------------------
-
-units 		metal
-dimension	3
-boundary	p	p	p
-atom_style	full
-
-# ----------------------- ATOM DEFINITION ----------------------------
-
-fix csinfo all property/atom i_CSID
-read_data data.coreshell fix csinfo NULL CS-Info
-  orthogonal box = (0 0 0) to (24.096 24.096 24.096)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  432 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  216 bonds
-  1 = max # of 1-2 neighbors
-  0 = max # of 1-3 neighbors
-  0 = max # of 1-4 neighbors
-  1 = max # of special neighbors
-
-group cores type 1 2
-216 atoms in group cores
-group shells type 3 4
-216 atoms in group shells
-
-neighbor 2.0 bin
-comm_modify vel yes
-
-# ------------------------ FORCE FIELDS ------------------------------
-
-kspace_style ewald 1.0e-6
-pair_style   born/coul/long/cs 20.0 20.0    # A, rho, sigma=0, C, D
-pair_coeff   * *      0.0 1.000   0.00  0.00   0.00
-pair_coeff   3 3    487.0 0.23768 0.00  1.05   0.50 #Na-Na
-pair_coeff   3 4 145134.0 0.23768 0.00  6.99   8.70 #Na-Cl
-pair_coeff   4 4 405774.0 0.23768 0.00 72.40 145.40 #Cl-Cl
-
-bond_style harmonic
-bond_coeff 1 63.014 0.0
-bond_coeff 2 25.724 0.0
-
-# ------------------------ Equilibration Run -------------------------------
-
-reset_timestep 0
-
-thermo 50
-thermo_style custom step etotal pe ke temp press              epair evdwl ecoul elong ebond fnorm fmax vol
-
-compute CSequ all temp/cs cores shells
-
-# output via chunk method
-
-#compute prop all property/atom i_CSID
-#compute cs_chunk all chunk/atom c_prop
-#compute cstherm all temp/chunk cs_chunk temp internal com yes cdof 3.0
-#fix ave_chunk all ave/time 100 1 100 c_cstherm file chunk.dump mode vector
-
-thermo_modify temp CSequ
-
-# velocity bias option
-
-velocity all create 1427 134 dist gaussian mom yes rot no bias yes temp CSequ
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 22
-  ghost atom cutoff = 22
-  binsize = 11 -> bins = 3 3 3
-velocity all scale 1427 temp CSequ
-
-fix thermoberendsen all temp/berendsen 1427 1427 0.4
-fix nve all nve
-fix_modify thermoberendsen temp CSequ
-
-# 2 fmsec timestep
-
-timestep 0.002
-run 500
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Memory usage per processor = 15.2111 Mbytes
-Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-       0   -635.44099   -675.09865    39.657659         1427   -20613.612   -675.09865    1.6320365    1018.8211   -1695.5518            0 2.9851021e-14 4.2188475e-15      13990.5 
-      50   -634.17349   -666.17817    32.004686    1151.6234    -4030.346    -667.9562    37.809075    989.23283   -1694.9981    1.7780241    9.7133824    2.1917971      13990.5 
-     100   -631.93518   -661.91229    29.977104     1078.665   -3172.6554   -664.06722    39.333371    991.36935   -1694.7699    2.1549316     11.09144    2.1704351      13990.5 
-     150   -630.16821   -663.12421    32.956001    1185.8545    142.23746   -665.48039    46.253735    982.97455   -1694.7087    2.3561823    11.467862    2.1651502      13990.5 
-     200   -628.62229   -663.64928    35.026994     1260.375    -1623.495   -665.96883    41.661825    986.81676   -1694.4474    2.3195535    10.597709    2.9538127      13990.5 
-     250   -627.31146   -662.01843    34.706969    1248.8595    -1510.677   -664.50329     42.10159    987.90193   -1694.5068    2.4848607    10.392642    1.6933333      13990.5 
-     300   -626.57662   -660.97479    34.398174    1237.7482   -1638.7013   -663.48072    41.653268    989.53239   -1694.6664    2.5059279    11.204558    2.2814875      13990.5 
-     350   -625.91972    -665.3583    39.438581    1419.1169    -1352.428   -667.61665      41.5825    985.53386    -1694.733    2.2583465    10.831573    1.8963653      13990.5 
-     400   -625.24854   -660.77581    35.527271    1278.3764   -424.57407   -663.12561     43.89225    987.75056   -1694.7684    2.3497967    11.523588    2.1775908      13990.5 
-     450   -624.67739   -662.88749    38.210098    1374.9125    1107.8255   -665.43273    46.964166    982.35231   -1694.7492    2.5452345     11.00224    2.0018738      13990.5 
-     500   -624.30227   -661.98003    37.677766    1355.7576   -999.27326   -664.60512    42.373091    987.58943   -1694.5676    2.6250858    11.151835    2.8270448      13990.5 
-Loop time of 2.40619 on 4 procs for 500 steps with 432 atoms
-
-Performance: 35.907 ns/day, 0.668 hours/ns, 207.797 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.7876     | 1.9016     | 2.0542     |   7.0 | 79.03
-Bond    | 0.00064754 | 0.0006901  | 0.00074625 |   0.1 |  0.03
-Kspace  | 0.16854    | 0.31596    | 0.42594    |  16.5 | 13.13
-Neigh   | 0.051607   | 0.051768   | 0.051931   |   0.1 |  2.15
-Comm    | 0.11933    | 0.12412    | 0.12769    |   0.9 |  5.16
-Output  | 0.00039911 | 0.00042087 | 0.00047565 |   0.2 |  0.02
-Modify  | 0.0059447  | 0.0063215  | 0.0067348  |   0.4 |  0.26
-Other   |            | 0.005341   |            |       |  0.22
-
-Nlocal:    108 ave 119 max 102 min
-Histogram: 1 1 1 0 0 0 0 0 0 1
-Nghost:    6516 ave 6545 max 6491 min
-Histogram: 1 0 0 1 1 0 0 0 0 1
-Neighs:    74337.8 ave 81248 max 69989 min
-Histogram: 1 0 2 0 0 0 0 0 0 1
-
-Total # of neighbors = 297351
-Ave neighs/atom = 688.312
-Ave special neighs/atom = 1
-Neighbor list builds = 22
-Dangerous builds = 0
-
-unfix thermoberendsen
-
-# ------------------------ Dynamic Run -------------------------------
-
-run 1000
-Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.175257
-  estimated absolute RMS force accuracy = 1.49563e-05
-  estimated relative force accuracy = 1.03866e-06
-  KSpace vectors: actual max1d max3d = 257 5 665
-                  kxmax kymax kzmax  = 5 5 5
-Memory usage per processor = 15.213 Mbytes
-Step TotEng PotEng KinEng Temp Press E_pair E_vdwl E_coul E_long E_bond Fnorm Fmax Volume 
-     500   -624.30215   -661.98003    37.677882    1355.7618   -999.26443   -664.60512    42.373091    987.58943   -1694.5676    2.6250858    11.151835    2.8270448      13990.5 
-     550   -624.30702   -662.13315    37.826126     1361.096    330.71041   -664.76759    45.316349     984.7201    -1694.804    2.6344423    10.876902    1.9726348      13990.5 
-     600   -624.31001   -661.82602    37.516015    1349.9373   -978.11503   -664.34272    42.382797    987.88159   -1694.6071    2.5166949     10.21416     1.787289      13990.5 
-     650   -624.30516   -659.19843    34.893268    1255.5631    548.43865   -661.95754    46.556222    986.06829    -1694.582    2.7591048     13.16005    2.1511562      13990.5 
-     700   -624.30926   -661.91108    37.601819    1353.0248    -175.1339    -664.4528    44.284398      985.834   -1694.5712    2.5417263    10.972065    1.9847042      13990.5 
-     750   -624.30955    -660.4096    36.100048    1298.9866    1222.5932   -663.20741    47.511377    984.09471   -1694.8135    2.7978144    11.761903    2.1481489      13990.5 
-     800   -624.30447   -660.30683    36.002357    1295.4714     270.6639   -663.25589    45.210122    986.25515   -1694.7212    2.9490566     11.50988    4.0037749      13990.5 
-     850   -624.30774   -663.65149    39.343757    1415.7049      339.356   -666.13397     45.12874    983.38616   -1694.6489    2.4824719     11.01305    2.1691298      13990.5 
-     900   -624.30311   -658.78647    34.483353    1240.8132    309.88983    -661.8322    45.836842    987.17541   -1694.8445     3.045732    12.635589    1.9594437      13990.5 
-     950     -624.303   -663.59545    39.292454    1413.8588   -649.78872   -665.94289    43.141981    985.63193   -1694.7168     2.347436    11.012602    2.0685819      13990.5 
-    1000    -624.3032   -660.59776    36.294555    1305.9856   -753.87453   -663.22012    42.930848    988.41708    -1694.568    2.6223608    10.526403    1.8887197      13990.5 
-    1050    -624.3023    -660.7017    36.399405    1309.7584    790.88591    -663.6376    46.453299     984.4785   -1694.5694    2.9359001    11.210429    2.1822375      13990.5 
-    1100   -624.30545   -662.76291    38.457457    1383.8132   -853.19698   -665.29416    42.533854    986.84955   -1694.6776    2.5312537    10.517674    2.6445601      13990.5 
-    1150   -624.31539   -663.03811    38.722722    1393.3582   -380.13868   -665.58847    43.476852    985.81618   -1694.8815    2.5503626    10.818389    1.9559813      13990.5 
-    1200    -624.3093   -659.85835    35.549055    1279.1603    44.140107   -662.93041    44.773497    986.67501   -1694.3789    3.0720506    11.310516    2.2601607      13990.5 
-    1250   -624.30277   -663.46462    39.161852    1409.1594   -352.57297    -666.0144    43.477124    984.93408   -1694.4256    2.5497829    10.720231    1.8458373      13990.5 
-    1300   -624.30329   -660.15937     35.85608    1290.2079   -348.83001   -662.73568    43.884677    988.07413   -1694.6945    2.5763161    11.369766    2.2580977      13990.5 
-    1350   -624.30469   -662.72631    38.421619    1382.5236    1338.9038   -665.20399     47.35379    982.28307   -1694.8408    2.4776776    10.587886    1.7677665      13990.5 
-    1400   -624.30499   -662.12513    37.820139    1360.8806    132.00801   -664.73589     44.55252    985.34275   -1694.6312    2.6107622    11.193448    2.1613441      13990.5 
-    1450   -624.30207   -661.42856    37.126485    1335.9209    2069.8075   -664.07373    49.544418    981.20445   -1694.8226    2.6451763    13.011189    3.3987593      13990.5 
-    1500   -624.29727   -656.99924    32.701969    1176.7137    504.56835   -660.08591    46.605885     987.7602    -1694.452    3.0866635    13.271242     3.025272      13990.5 
-Loop time of 4.96339 on 4 procs for 1000 steps with 432 atoms
-
-Performance: 34.815 ns/day, 0.689 hours/ns, 201.475 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.6491     | 3.8484     | 4.2642     |  12.4 | 77.54
-Bond    | 0.0013638  | 0.0014506  | 0.0016019  |   0.2 |  0.03
-Kspace  | 0.3347     | 0.73521    | 0.92903    |  27.3 | 14.81
-Neigh   | 0.10979    | 0.11008    | 0.11042    |   0.1 |  2.22
-Comm    | 0.23785    | 0.25289    | 0.2601     |   1.8 |  5.10
-Output  | 0.0008378  | 0.00088245 | 0.00098872 |   0.2 |  0.02
-Modify  | 0.0022187  | 0.0024077  | 0.0026662  |   0.3 |  0.05
-Other   |            | 0.01206    |            |       |  0.24
-
-Nlocal:    108 ave 112 max 102 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-Nghost:    6500.75 ave 6612 max 6392 min
-Histogram: 1 0 1 0 0 0 0 1 0 1
-Neighs:    74275 ave 77543 max 69706 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-
-Total # of neighbors = 297100
-Ave neighs/atom = 687.731
-Ave special neighs/atom = 1
-Neighbor list builds = 45
-Dangerous builds = 0
-Total wall time: 0:00:07

From 3ce61c42d6ffc703c25d5afe9df95826e3709efd Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 16:01:42 -0500
Subject: [PATCH 211/273] update log files for crack and deposit examples

---
 examples/controller/in.controller             |  0
 ...16.crack.g++.1 => log.27Nov18.crack.g++.1} | 37 ++++++++------
 ...16.crack.g++.4 => log.27Nov18.crack.g++.4} | 37 ++++++++------
 ...m.g++.1 => log.27Nov18.deposit.atom.g++.1} | 39 ++++++++------
 ...m.g++.4 => log.27Nov18.deposit.atom.g++.4} | 39 ++++++++------
 ...+.1 => log.27Nov18.deposit.molecule.g++.1} | 51 +++++++++++--------
 ...+.4 => log.27Nov18.deposit.molecule.g++.4} | 51 +++++++++++--------
 ... log.27Nov18.deposit.molecule.shake.g++.1} | 51 +++++++++++--------
 ... log.27Nov18.deposit.molecule.shake.g++.4} | 51 +++++++++++--------
 9 files changed, 206 insertions(+), 150 deletions(-)
 mode change 100755 => 100644 examples/controller/in.controller
 rename examples/crack/{log.5Oct16.crack.g++.1 => log.27Nov18.crack.g++.1} (81%)
 rename examples/crack/{log.5Oct16.crack.g++.4 => log.27Nov18.crack.g++.4} (81%)
 rename examples/deposit/{log.5Oct16.deposit.atom.g++.1 => log.27Nov18.deposit.atom.g++.1} (89%)
 rename examples/deposit/{log.5Oct16.deposit.atom.g++.4 => log.27Nov18.deposit.atom.g++.4} (89%)
 rename examples/deposit/{log.5Oct16.deposit.molecule.g++.1 => log.27Nov18.deposit.molecule.g++.1} (87%)
 rename examples/deposit/{log.5Oct16.deposit.molecule.g++.4 => log.27Nov18.deposit.molecule.g++.4} (87%)
 rename examples/deposit/{log.5Oct16.deposit.molecule.shake.g++.1 => log.27Nov18.deposit.molecule.shake.g++.1} (88%)
 rename examples/deposit/{log.5Oct16.deposit.molecule.shake.g++.4 => log.27Nov18.deposit.molecule.shake.g++.4} (88%)

diff --git a/examples/controller/in.controller b/examples/controller/in.controller
old mode 100755
new mode 100644
diff --git a/examples/crack/log.5Oct16.crack.g++.1 b/examples/crack/log.27Nov18.crack.g++.1
similarity index 81%
rename from examples/crack/log.5Oct16.crack.g++.1
rename to examples/crack/log.27Nov18.crack.g++.1
index b65db9dda6..418b5fc0f6 100644
--- a/examples/crack/log.5Oct16.crack.g++.1
+++ b/examples/crack/log.27Nov18.crack.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d LJ crack simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 8141 atoms
+  Time spent = 0.00162196 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -76,7 +78,7 @@ fix		2 boundary setforce NULL 0.0 0.0
 timestep	0.003
 thermo		200
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 neigh_modify	exclude type 2 3
 
@@ -90,13 +92,18 @@ neigh_modify	exclude type 2 3
 
 run		5000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 80 56 1
-Memory usage per processor = 2.48017 Mbytes
+  binsize = 1.4, bins = 80 56 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0  0.065651733   -3.2595015            0   -3.1987287 -0.036239172    8605.5917 
      200  0.060086376   -3.2531936            0   -3.1975725  -0.23125026    8638.8101 
@@ -124,20 +131,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     4600  0.086766447   -3.0437627            0   -2.9634443   -1.0208785    9361.9925 
     4800  0.088195149   -3.0328502            0   -2.9512093   -1.0272063    9395.6122 
     5000  0.089415266   -3.0228825            0   -2.9401122   -1.0215336    9436.1637 
-Loop time of 6.89346 on 1 procs for 5000 steps with 8141 atoms
+Loop time of 7.02888 on 1 procs for 5000 steps with 8141 atoms
 
-Performance: 188004.255 tau/day, 725.325 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 184382.046 tau/day, 711.350 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.8036     | 5.8036     | 5.8036     |   0.0 | 84.19
-Neigh   | 0.37434    | 0.37434    | 0.37434    |   0.0 |  5.43
-Comm    | 0.004128   | 0.004128   | 0.004128   |   0.0 |  0.06
-Output  | 0.00077105 | 0.00077105 | 0.00077105 |   0.0 |  0.01
-Modify  | 0.53619    | 0.53619    | 0.53619    |   0.0 |  7.78
-Other   |            | 0.1744     |            |       |  2.53
+Pair    | 5.8668     | 5.8668     | 5.8668     |   0.0 | 83.47
+Neigh   | 0.29717    | 0.29717    | 0.29717    |   0.0 |  4.23
+Comm    | 0.0045955  | 0.0045955  | 0.0045955  |   0.0 |  0.07
+Output  | 0.0011108  | 0.0011108  | 0.0011108  |   0.0 |  0.02
+Modify  | 0.65277    | 0.65277    | 0.65277    |   0.0 |  9.29
+Other   |            | 0.2064     |            |       |  2.94
 
 Nlocal:    8141 ave 8141 max 8141 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -150,4 +157,4 @@ Total # of neighbors = 71389
 Ave neighs/atom = 8.76907
 Neighbor list builds = 100
 Dangerous builds = 0
-Total wall time: 0:00:06
+Total wall time: 0:00:07
diff --git a/examples/crack/log.5Oct16.crack.g++.4 b/examples/crack/log.27Nov18.crack.g++.4
similarity index 81%
rename from examples/crack/log.5Oct16.crack.g++.4
rename to examples/crack/log.27Nov18.crack.g++.4
index 00fb8d3e49..998f560b85 100644
--- a/examples/crack/log.5Oct16.crack.g++.4
+++ b/examples/crack/log.27Nov18.crack.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d LJ crack simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.278569) to (111.428 77.1994 0.278569)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 8141 atoms
+  Time spent = 0.00064826 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -76,7 +78,7 @@ fix		2 boundary setforce NULL 0.0 0.0
 timestep	0.003
 thermo		200
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 neigh_modify	exclude type 2 3
 
@@ -90,13 +92,18 @@ neigh_modify	exclude type 2 3
 
 run		5000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 80 56 1
-Memory usage per processor = 2.48163 Mbytes
+  binsize = 1.4, bins = 80 56 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.069 | 3.069 | 3.069 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0  0.065993465   -3.2595015            0   -3.1984123 -0.035939913    8605.5917 
      200  0.060035253   -3.2531886            0   -3.1976149  -0.22757684    8638.5331 
@@ -124,20 +131,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     4600  0.088763719   -3.0446018            0   -2.9624346    -1.027693    9391.6949 
     4800  0.089467982   -3.0337452            0    -2.950926   -1.0232092    9427.4155 
     5000  0.089910902   -3.0237571            0   -2.9405279   -1.0174796     9452.031 
-Loop time of 1.97398 on 4 procs for 5000 steps with 8141 atoms
+Loop time of 2.06204 on 4 procs for 5000 steps with 8141 atoms
 
-Performance: 656540.037 tau/day, 2532.948 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 628504.111 tau/day, 2424.784 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.4909     | 1.5203     | 1.5671     |   2.3 | 77.02
-Neigh   | 0.10125    | 0.10271    | 0.10657    |   0.7 |  5.20
-Comm    | 0.076516   | 0.13066    | 0.15771    |   8.8 |  6.62
-Output  | 0.00077796 | 0.00082064 | 0.00091672 |   0.2 |  0.04
-Modify  | 0.13725    | 0.14082    | 0.14325    |   0.6 |  7.13
-Other   |            | 0.07865    |            |       |  3.98
+Pair    | 1.4844     | 1.5266     | 1.5909     |   3.6 | 74.03
+Neigh   | 0.081047   | 0.085878   | 0.093027   |   1.5 |  4.16
+Comm    | 0.12993    | 0.19571    | 0.25179    |  11.6 |  9.49
+Output  | 0.00072265 | 0.00096798 | 0.0016601  |   0.0 |  0.05
+Modify  | 0.16787    | 0.17024    | 0.17234    |   0.4 |  8.26
+Other   |            | 0.0826     |            |       |  4.01
 
 Nlocal:    2035.25 ave 2064 max 2015 min
 Histogram: 1 1 0 0 0 1 0 0 0 1
@@ -150,4 +157,4 @@ Total # of neighbors = 71400
 Ave neighs/atom = 8.77042
 Neighbor list builds = 106
 Dangerous builds = 0
-Total wall time: 0:00:01
+Total wall time: 0:00:02
diff --git a/examples/deposit/log.5Oct16.deposit.atom.g++.1 b/examples/deposit/log.27Nov18.deposit.atom.g++.1
similarity index 89%
rename from examples/deposit/log.5Oct16.deposit.atom.g++.1
rename to examples/deposit/log.27Nov18.deposit.atom.g++.1
index 0ce6ac3c9c..2ed7f60dbe 100644
--- a/examples/deposit/log.5Oct16.deposit.atom.g++.1
+++ b/examples/deposit/log.27Nov18.deposit.atom.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for atoms
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000444174 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -30,7 +32,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 1.0 1.0 0.1 587283
@@ -43,7 +45,7 @@ fix		5 addatoms wall/reflect zhi EDGE
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -55,13 +57,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
-Memory usage per processor = 2.54053 Mbytes
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.126 | 3.126 | 3.126 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      351   0.83994737   -6.3459678   -6.3423783  -0.12047746 
@@ -164,20 +171,20 @@ Step Atoms Temp E_pair TotEng Press
     9800      448   0.97167962    -5.185173   -4.8663406  -0.56989109 
     9900      449    1.0038671   -5.1540302   -4.8220162  -0.56356384 
    10000      450   0.95642062   -5.2046982   -4.8858913  -0.70500643 
-Loop time of 5.63963 on 1 procs for 10000 steps with 450 atoms
+Loop time of 6.17726 on 1 procs for 10000 steps with 450 atoms
 
-Performance: 766007.688 tau/day, 1773.166 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 699339.360 tau/day, 1618.841 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.1973     | 3.1973     | 3.1973     |   0.0 | 56.69
-Neigh   | 2.1646     | 2.1646     | 2.1646     |   0.0 | 38.38
-Comm    | 0.11922    | 0.11922    | 0.11922    |   0.0 |  2.11
-Output  | 0.00081301 | 0.00081301 | 0.00081301 |   0.0 |  0.01
-Modify  | 0.11702    | 0.11702    | 0.11702    |   0.0 |  2.07
-Other   |            | 0.04063    |            |       |  0.72
+Pair    | 3.1708     | 3.1708     | 3.1708     |   0.0 | 51.33
+Neigh   | 2.6376     | 2.6376     | 2.6376     |   0.0 | 42.70
+Comm    | 0.18927    | 0.18927    | 0.18927    |   0.0 |  3.06
+Output  | 0.0013239  | 0.0013239  | 0.0013239  |   0.0 |  0.02
+Modify  | 0.13663    | 0.13663    | 0.13663    |   0.0 |  2.21
+Other   |            | 0.04162    |            |       |  0.67
 
 Nlocal:    450 ave 450 max 450 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -190,4 +197,4 @@ Total # of neighbors = 29176
 Ave neighs/atom = 64.8356
 Neighbor list builds = 1143
 Dangerous builds = 0
-Total wall time: 0:00:05
+Total wall time: 0:00:06
diff --git a/examples/deposit/log.5Oct16.deposit.atom.g++.4 b/examples/deposit/log.27Nov18.deposit.atom.g++.4
similarity index 89%
rename from examples/deposit/log.5Oct16.deposit.atom.g++.4
rename to examples/deposit/log.27Nov18.deposit.atom.g++.4
index 34b855f2ed..dd41ecedbd 100644
--- a/examples/deposit/log.5Oct16.deposit.atom.g++.4
+++ b/examples/deposit/log.27Nov18.deposit.atom.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for atoms
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000353813 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -30,7 +32,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 1.0 1.0 0.1 587283
@@ -43,7 +45,7 @@ fix		5 addatoms wall/reflect zhi EDGE
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -55,13 +57,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
-Memory usage per processor = 2.60645 Mbytes
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 0.4396 | 2.389 | 3.192 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      351   0.83994737   -6.3596932   -6.3561037  -0.10696131 
@@ -164,20 +171,20 @@ Step Atoms Temp E_pair TotEng Press
     9800      448     1.187781   -5.1672598   -4.7775192  -0.55482592 
     9900      449   0.99538785   -5.1593424   -4.8301329   -0.5886329 
    10000      450   0.95030539   -5.1408028   -4.8240344   -0.4992403 
-Loop time of 4.38653 on 4 procs for 10000 steps with 450 atoms
+Loop time of 5.30178 on 4 procs for 10000 steps with 450 atoms
 
-Performance: 984832.436 tau/day, 2279.705 timesteps/s
-98.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 814820.053 tau/day, 1886.158 timesteps/s
+94.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0022979  | 0.81396    | 2.0831     |  95.7 | 18.56
-Neigh   | 0.0083807  | 0.57856    | 1.7676     |  93.7 | 13.19
-Comm    | 0.3792     | 2.1868     | 3.8575     |  85.0 | 49.85
-Output  | 0.001919   | 0.008881   | 0.025856   |  10.5 |  0.20
-Modify  | 0.0053477  | 0.035994   | 0.08146    |  16.2 |  0.82
-Other   |            | 0.7623     |            |       | 17.38
+Pair    | 0.0030358  | 0.8503     | 2.2484     | 100.1 | 16.04
+Neigh   | 0.0085447  | 0.74813    | 2.3721     | 111.4 | 14.11
+Comm    | 0.50519    | 2.6696     | 4.6851     |  95.8 | 50.35
+Output  | 0.0024836  | 0.012219   | 0.029616   |   9.5 |  0.23
+Modify  | 0.014966   | 0.047625   | 0.094656   |  14.8 |  0.90
+Other   |            | 0.9739     |            |       | 18.37
 
 Nlocal:    112.5 ave 250 max 9 min
 Histogram: 2 0 0 0 0 0 1 0 0 1
@@ -190,4 +197,4 @@ Total # of neighbors = 29661
 Ave neighs/atom = 65.9133
 Neighbor list builds = 1164
 Dangerous builds = 0
-Total wall time: 0:00:04
+Total wall time: 0:00:05
diff --git a/examples/deposit/log.5Oct16.deposit.molecule.g++.1 b/examples/deposit/log.27Nov18.deposit.molecule.g++.1
similarity index 87%
rename from examples/deposit/log.5Oct16.deposit.molecule.g++.1
rename to examples/deposit/log.27Nov18.deposit.molecule.g++.1
index 3c8aa85d92..c006119370 100644
--- a/examples/deposit/log.5Oct16.deposit.molecule.g++.1
+++ b/examples/deposit/log.27Nov18.deposit.molecule.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for molecules
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000686646 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -33,7 +35,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 0.1 0.1 0.1 587283
@@ -41,11 +43,11 @@ fix		3 mobile nve
 
 molecule        dimer molecule.dimer
 Read molecule dimer:
-  2 atoms with 3 types
-  1 bonds with 1 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  2 atoms with max type 3
+  1 bonds with max type 1
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 region          slab block 0 5 0 5 8 9
 fix		4 addatoms deposit 100 0 100 12345 region slab near 1.0                 mol dimer vz -1.0 -1.0
 fix		5 addatoms wall/reflect zhi EDGE
@@ -53,7 +55,7 @@ fix		5 addatoms wall/reflect zhi EDGE
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add lost/bond ignore lost warn
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -65,13 +67,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
-Memory usage per processor = 3.56565 Mbytes
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.152 | 4.152 | 4.152 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      352   0.83994737   -6.8875167   -6.8803581  -0.73353914 
@@ -174,21 +181,21 @@ Step Atoms Temp E_pair TotEng Press
     9800      546   0.26835398   -7.2214231   -6.8757262  -0.86029096 
     9900      548   0.31676744    -7.264604    -6.884266  -0.74053962 
    10000      550   0.31368419   -7.2759575   -6.8979611  -0.76153366 
-Loop time of 6.51779 on 1 procs for 10000 steps with 550 atoms
+Loop time of 7.42799 on 1 procs for 10000 steps with 550 atoms
 
-Performance: 662801.655 tau/day, 1534.263 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 581583.611 tau/day, 1346.258 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 4.0744     | 4.0744     | 4.0744     |   0.0 | 62.51
-Bond    | 0.01209    | 0.01209    | 0.01209    |   0.0 |  0.19
-Neigh   | 2.1316     | 2.1316     | 2.1316     |   0.0 | 32.70
-Comm    | 0.13266    | 0.13266    | 0.13266    |   0.0 |  2.04
-Output  | 0.0008409  | 0.0008409  | 0.0008409  |   0.0 |  0.01
-Modify  | 0.12403    | 0.12403    | 0.12403    |   0.0 |  1.90
-Other   |            | 0.04216    |            |       |  0.65
+Pair    | 4.1961     | 4.1961     | 4.1961     |   0.0 | 56.49
+Bond    | 0.011222   | 0.011222   | 0.011222   |   0.0 |  0.15
+Neigh   | 2.8258     | 2.8258     | 2.8258     |   0.0 | 38.04
+Comm    | 0.20406    | 0.20406    | 0.20406    |   0.0 |  2.75
+Output  | 0.0014198  | 0.0014198  | 0.0014198  |   0.0 |  0.02
+Modify  | 0.14606    | 0.14606    | 0.14606    |   0.0 |  1.97
+Other   |            | 0.04341    |            |       |  0.58
 
 Nlocal:    550 ave 550 max 550 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -202,4 +209,4 @@ Ave neighs/atom = 72.2
 Ave special neighs/atom = 0.363636
 Neighbor list builds = 877
 Dangerous builds = 0
-Total wall time: 0:00:06
+Total wall time: 0:00:07
diff --git a/examples/deposit/log.5Oct16.deposit.molecule.g++.4 b/examples/deposit/log.27Nov18.deposit.molecule.g++.4
similarity index 87%
rename from examples/deposit/log.5Oct16.deposit.molecule.g++.4
rename to examples/deposit/log.27Nov18.deposit.molecule.g++.4
index c2affc26e3..c0c3ae35ff 100644
--- a/examples/deposit/log.5Oct16.deposit.molecule.g++.4
+++ b/examples/deposit/log.27Nov18.deposit.molecule.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for molecules
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000594139 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -33,7 +35,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 0.1 0.1 0.1 587283
@@ -41,11 +43,11 @@ fix		3 mobile nve
 
 molecule        dimer molecule.dimer
 Read molecule dimer:
-  2 atoms with 3 types
-  1 bonds with 1 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  2 atoms with max type 3
+  1 bonds with max type 1
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 region          slab block 0 5 0 5 8 9
 fix		4 addatoms deposit 100 0 100 12345 region slab near 1.0                 mol dimer vz -1.0 -1.0
 fix		5 addatoms wall/reflect zhi EDGE
@@ -53,7 +55,7 @@ fix		5 addatoms wall/reflect zhi EDGE
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add lost/bond ignore lost warn
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -65,13 +67,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
-Memory usage per processor = 3.63985 Mbytes
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 0.441 | 3.16 | 4.226 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      352   0.83994737   -6.8946578   -6.8874992  -0.73775337 
@@ -174,21 +181,21 @@ Step Atoms Temp E_pair TotEng Press
     9800      546   0.28129876   -7.3140275   -6.9098746  -0.82726219 
     9900      548   0.28891495   -7.3235633   -6.9092268  -0.88128702 
    10000      550   0.29861445   -7.3507915   -6.9161229  -0.73192335 
-Loop time of 5.59197 on 4 procs for 10000 steps with 550 atoms
+Loop time of 6.59998 on 4 procs for 10000 steps with 550 atoms
 
-Performance: 772536.289 tau/day, 1788.278 timesteps/s
-98.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 654547.468 tau/day, 1515.156 timesteps/s
+95.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0012441  | 1.0454     | 2.9987     | 119.8 | 18.70
-Bond    | 0.0012348  | 0.0039268  | 0.010973   |   6.5 |  0.07
-Neigh   | 0.0049584  | 0.57381    | 1.8059     |  96.8 | 10.26
-Comm    | 0.62167    | 2.892      | 5.0562     |  98.9 | 51.72
-Output  | 0.0021472  | 0.014835   | 0.048822   |  16.2 |  0.27
-Modify  | 0.0069871  | 0.038206   | 0.074167   |  15.4 |  0.68
-Other   |            | 1.024      |            |       | 18.31
+Pair    | 0.0020502  | 1.124      | 3.2865     | 126.5 | 17.03
+Bond    | 0.0019848  | 0.0045845  | 0.011024   |   5.5 |  0.07
+Neigh   | 0.0055914  | 0.79469    | 2.5826     | 118.4 | 12.04
+Comm    | 0.541      | 3.3411     | 6.0178     | 116.5 | 50.62
+Output  | 0.0026808  | 0.018505   | 0.055692   |  15.9 |  0.28
+Modify  | 0.017398   | 0.054306   | 0.10289    |  15.9 |  0.82
+Other   |            | 1.263      |            |       | 19.13
 
 Nlocal:    137.5 ave 299 max 2 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
@@ -202,4 +209,4 @@ Ave neighs/atom = 71.9345
 Ave special neighs/atom = 0.363636
 Neighbor list builds = 884
 Dangerous builds = 0
-Total wall time: 0:00:05
+Total wall time: 0:00:06
diff --git a/examples/deposit/log.5Oct16.deposit.molecule.shake.g++.1 b/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1
similarity index 88%
rename from examples/deposit/log.5Oct16.deposit.molecule.shake.g++.1
rename to examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1
index 508aaa9df1..e2150860d1 100644
--- a/examples/deposit/log.5Oct16.deposit.molecule.shake.g++.1
+++ b/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for molecules
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000657082 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -33,7 +35,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 0.1 0.1 0.1 587283
@@ -41,11 +43,11 @@ fix		3 mobile nve
 
 molecule        dimer molecule.dimer.shake
 Read molecule dimer:
-  2 atoms with 3 types
-  1 bonds with 1 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  2 atoms with max type 3
+  1 bonds with max type 1
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 region          slab block 0 5 0 5 8 9
 fix		4 addatoms deposit 100 0 100 12345 region slab near 1.0                 mol dimer vz -1.0 -1.0 shake 6
 fix		5 addatoms wall/reflect zhi EDGE
@@ -58,7 +60,7 @@ fix             6 all shake 0.0001 20 1000 b 1 mol dimer
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add lost/bond ignore lost warn
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -70,14 +72,19 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 SHAKE stats (type/ave/delta) on step 0
-Memory usage per processor = 4.44065 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 5.027 | 5.027 | 5.027 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      352    1.0079368   -6.8875167   -6.8803581  -0.73353914 
@@ -200,21 +207,21 @@ SHAKE stats (type/ave/delta) on step 9000
 SHAKE stats (type/ave/delta) on step 10000
   1 1 2.44249e-15
    10000      550   0.31059632   -6.7463923   -6.6052122  -0.75225652 
-Loop time of 6.31791 on 1 procs for 10000 steps with 550 atoms
+Loop time of 7.11276 on 1 procs for 10000 steps with 550 atoms
 
-Performance: 683770.197 tau/day, 1582.801 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 607358.878 tau/day, 1405.923 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.9451     | 3.9451     | 3.9451     |   0.0 | 62.44
-Bond    | 0.012146   | 0.012146   | 0.012146   |   0.0 |  0.19
-Neigh   | 2.0103     | 2.0103     | 2.0103     |   0.0 | 31.82
-Comm    | 0.13071    | 0.13071    | 0.13071    |   0.0 |  2.07
-Output  | 0.00093651 | 0.00093651 | 0.00093651 |   0.0 |  0.01
-Modify  | 0.1759     | 0.1759     | 0.1759     |   0.0 |  2.78
-Other   |            | 0.04281    |            |       |  0.68
+Pair    | 3.9705     | 3.9705     | 3.9705     |   0.0 | 55.82
+Bond    | 0.011102   | 0.011102   | 0.011102   |   0.0 |  0.16
+Neigh   | 2.6732     | 2.6732     | 2.6732     |   0.0 | 37.58
+Comm    | 0.20071    | 0.20071    | 0.20071    |   0.0 |  2.82
+Output  | 0.0015368  | 0.0015368  | 0.0015368  |   0.0 |  0.02
+Modify  | 0.21124    | 0.21124    | 0.21124    |   0.0 |  2.97
+Other   |            | 0.0444     |            |       |  0.62
 
 Nlocal:    550 ave 550 max 550 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -228,4 +235,4 @@ Ave neighs/atom = 66.2873
 Ave special neighs/atom = 0.363636
 Neighbor list builds = 839
 Dangerous builds = 0
-Total wall time: 0:00:06
+Total wall time: 0:00:07
diff --git a/examples/deposit/log.5Oct16.deposit.molecule.shake.g++.4 b/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4
similarity index 88%
rename from examples/deposit/log.5Oct16.deposit.molecule.shake.g++.4
rename to examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4
index 3947e4eec1..066d6f78a5 100644
--- a/examples/deposit/log.5Oct16.deposit.molecule.shake.g++.4
+++ b/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # sample surface deposition script for molecules
 
 units		lj
@@ -15,6 +16,7 @@ Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
 region		substrate block INF INF INF INF INF 3
 create_atoms	1 region substrate
 Created 350 atoms
+  Time spent = 0.000810623 secs
 
 pair_style	lj/cut 2.5
 pair_coeff	* * 1.0 1.0
@@ -33,7 +35,7 @@ group		mobile region mobile
 150 atoms in group mobile
 
 compute		add addatoms temp
-compute_modify	add dynamic yes extra 0
+compute_modify	add dynamic/dof yes extra/dof 0
 
 fix		1 addatoms nve
 fix		2 mobile langevin 0.1 0.1 0.1 587283
@@ -41,11 +43,11 @@ fix		3 mobile nve
 
 molecule        dimer molecule.dimer.shake
 Read molecule dimer:
-  2 atoms with 3 types
-  1 bonds with 1 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  2 atoms with max type 3
+  1 bonds with max type 1
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 region          slab block 0 5 0 5 8 9
 fix		4 addatoms deposit 100 0 100 12345 region slab near 1.0                 mol dimer vz -1.0 -1.0 shake 6
 fix		5 addatoms wall/reflect zhi EDGE
@@ -58,7 +60,7 @@ fix             6 all shake 0.0001 20 1000 b 1 mol dimer
 thermo_style	custom step atoms temp epair etotal press
 thermo          100
 thermo_modify	temp add lost/bond ignore lost warn
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 50 dump.deposit.atom
 
@@ -70,14 +72,19 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run             10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.3
   ghost atom cutoff = 5.3
-  binsize = 2.65 -> bins = 3 3 6
+  binsize = 2.65, bins = 3 3 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 SHAKE stats (type/ave/delta) on step 0
-Memory usage per processor = 4.51485 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 0.4411 | 3.816 | 5.101 Mbytes
 Step Atoms Temp E_pair TotEng Press 
        0      350            0   -6.9215833   -6.9215833   -1.0052629 
      100      352    1.0079368   -6.8946578   -6.8874992  -0.73775337 
@@ -200,21 +207,21 @@ SHAKE stats (type/ave/delta) on step 9000
 SHAKE stats (type/ave/delta) on step 10000
   1 1 2.55351e-15
    10000      550   0.30296128   -6.7756768   -6.6379672  -0.84420968 
-Loop time of 5.7633 on 4 procs for 10000 steps with 550 atoms
+Loop time of 6.71355 on 4 procs for 10000 steps with 550 atoms
 
-Performance: 749570.876 tau/day, 1735.118 timesteps/s
-98.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 643474.692 tau/day, 1489.525 timesteps/s
+95.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0014243  | 1.0038     | 2.9203     | 118.9 | 17.42
-Bond    | 0.001431   | 0.004068   | 0.010644   |   6.0 |  0.07
-Neigh   | 0.0053701  | 0.53209    | 1.6663     |  92.7 |  9.23
-Comm    | 0.60632    | 2.7675     | 4.853      |  97.7 | 48.02
-Output  | 0.0026648  | 0.003988   | 0.0067949  |   2.6 |  0.07
-Modify  | 0.43492    | 1.2606     | 3.3556     | 108.4 | 21.87
-Other   |            | 0.1912     |            |       |  3.32
+Pair    | 0.0023715  | 1.0684     | 3.1403     | 123.9 | 15.91
+Bond    | 0.0018587  | 0.0045958  | 0.011149   |   5.6 |  0.07
+Neigh   | 0.0059454  | 0.74298    | 2.4218     | 114.9 | 11.07
+Comm    | 0.53191    | 3.1926     | 5.7443     | 113.9 | 47.55
+Output  | 0.0028977  | 0.0060919  | 0.010627   |   4.2 |  0.09
+Modify  | 0.47242    | 1.5021     | 4.1679     | 126.1 | 22.37
+Other   |            | 0.1969     |            |       |  2.93
 
 Nlocal:    137.5 ave 300 max 2 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
@@ -228,4 +235,4 @@ Ave neighs/atom = 66.8055
 Ave special neighs/atom = 0.363636
 Neighbor list builds = 833
 Dangerous builds = 0
-Total wall time: 0:00:05
+Total wall time: 0:00:06

From 37289f74766922155367bb88e3b9c7dcabdc74d2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 16:07:12 -0500
Subject: [PATCH 212/273] update log files for dipole and dreiding example
 inputs. add running some MD steps for dreiding

---
 ....dipole.g++.1 => log.27Nov18.dipole.g++.1} |  35 ++--
 ....dipole.g++.4 => log.27Nov18.dipole.g++.4} |  33 +--
 examples/dreiding/in.dreiding                 |  40 ++--
 examples/dreiding/log.27Nov18.dreiding.g++.1  | 198 ++++++++++++++++++
 examples/dreiding/log.27Nov18.dreiding.g++.4  | 198 ++++++++++++++++++
 examples/dreiding/log.5Oct16.dreiding.g++.1   | 118 -----------
 examples/dreiding/log.5Oct16.dreiding.g++.4   | 118 -----------
 7 files changed, 459 insertions(+), 281 deletions(-)
 rename examples/dipole/{log.5Oct16.dipole.g++.1 => log.27Nov18.dipole.g++.1} (76%)
 rename examples/dipole/{log.5Oct16.dipole.g++.4 => log.27Nov18.dipole.g++.4} (77%)
 create mode 100644 examples/dreiding/log.27Nov18.dreiding.g++.1
 create mode 100644 examples/dreiding/log.27Nov18.dreiding.g++.4
 delete mode 100644 examples/dreiding/log.5Oct16.dreiding.g++.1
 delete mode 100644 examples/dreiding/log.5Oct16.dreiding.g++.4

diff --git a/examples/dipole/log.5Oct16.dipole.g++.1 b/examples/dipole/log.27Nov18.dipole.g++.1
similarity index 76%
rename from examples/dipole/log.5Oct16.dipole.g++.1
rename to examples/dipole/log.27Nov18.dipole.g++.1
index fc620f23fd..cc82422a9c 100644
--- a/examples/dipole/log.5Oct16.dipole.g++.1
+++ b/examples/dipole/log.27Nov18.dipole.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 200 atoms
+  Time spent = 0.00140882 secs
 
 # need both mass settings due to hybrid atom style
 
@@ -46,13 +48,18 @@ thermo		500
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 13 13 2
-Memory usage per processor = 4.47689 Mbytes
+  binsize = 1.4, bins = 13 13 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/dipole/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.049 | 5.049 | 5.049 Mbytes
 Step Temp E_pair c_erot TotEng Press 
        0            0   -2.1909822            0   -2.1909822   -2.5750971 
      500   0.39335419   -2.7940623   0.20683255   -2.4026749  -0.24768899 
@@ -75,20 +82,20 @@ Step Temp E_pair c_erot TotEng Press
     9000   0.42532413    -2.748856   0.21378021   -2.3256584  0.015079949 
     9500   0.42237159   -2.7266142   0.20255034   -2.3063545  -0.15538561 
    10000   0.40758268    -2.778401    0.2746675   -2.3728562  -0.20811978 
-Loop time of 1.05484 on 1 procs for 10000 steps with 200 atoms
+Loop time of 0.851938 on 1 procs for 10000 steps with 200 atoms
 
-Performance: 4095400.088 tau/day, 9480.093 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 5070791.481 tau/day, 11737.943 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.88325    | 0.88325    | 0.88325    |   0.0 | 83.73
-Neigh   | 0.038596   | 0.038596   | 0.038596   |   0.0 |  3.66
-Comm    | 0.034257   | 0.034257   | 0.034257   |   0.0 |  3.25
-Output  | 0.00013828 | 0.00013828 | 0.00013828 |   0.0 |  0.01
-Modify  | 0.083041   | 0.083041   | 0.083041   |   0.0 |  7.87
-Other   |            | 0.01556    |            |       |  1.48
+Pair    | 0.64889    | 0.64889    | 0.64889    |   0.0 | 76.17
+Neigh   | 0.04038    | 0.04038    | 0.04038    |   0.0 |  4.74
+Comm    | 0.058003   | 0.058003   | 0.058003   |   0.0 |  6.81
+Output  | 0.00021219 | 0.00021219 | 0.00021219 |   0.0 |  0.02
+Modify  | 0.083454   | 0.083454   | 0.083454   |   0.0 |  9.80
+Other   |            | 0.021      |            |       |  2.47
 
 Nlocal:    200 ave 200 max 200 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -101,4 +108,4 @@ Total # of neighbors = 1625
 Ave neighs/atom = 8.125
 Neighbor list builds = 673
 Dangerous builds = 0
-Total wall time: 0:00:01
+Total wall time: 0:00:00
diff --git a/examples/dipole/log.5Oct16.dipole.g++.4 b/examples/dipole/log.27Nov18.dipole.g++.4
similarity index 77%
rename from examples/dipole/log.5Oct16.dipole.g++.4
rename to examples/dipole/log.27Nov18.dipole.g++.4
index b573253fbc..f33bfde451 100644
--- a/examples/dipole/log.5Oct16.dipole.g++.4
+++ b/examples/dipole/log.27Nov18.dipole.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 200 atoms
+  Time spent = 0.00139761 secs
 
 # need both mass settings due to hybrid atom style
 
@@ -46,13 +48,18 @@ thermo		500
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 13 13 2
-Memory usage per processor = 4.47621 Mbytes
+  binsize = 1.4, bins = 13 13 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/dipole/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.047 | 5.047 | 5.047 Mbytes
 Step Temp E_pair c_erot TotEng Press 
        0            0   -2.1909822            0   -2.1909822   -2.5750971 
      500   0.39335419   -2.7940623   0.20683255   -2.4026749  -0.24768899 
@@ -75,20 +82,20 @@ Step Temp E_pair c_erot TotEng Press
     9000   0.42318631   -2.7600929   0.25229644   -2.3390225   0.36820391 
     9500   0.42857449   -2.6958592   0.18686752   -2.2694276   0.15379721 
    10000   0.43323126     -2.71981   0.22185737   -2.2887449  0.038354509 
-Loop time of 0.406978 on 4 procs for 10000 steps with 200 atoms
+Loop time of 0.396069 on 4 procs for 10000 steps with 200 atoms
 
-Performance: 10614834.981 tau/day, 24571.377 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 10907185.759 tau/day, 25248.115 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.18518    | 0.23558    | 0.25487    |   6.0 | 57.88
-Neigh   | 0.0090437  | 0.011033   | 0.011971   |   1.1 |  2.71
-Comm    | 0.086857   | 0.10807    | 0.16262    |   9.6 | 26.56
-Output  | 0.00029182 | 0.00031263 | 0.00035739 |   0.1 |  0.08
-Modify  | 0.022396   | 0.025649   | 0.026865   |   1.2 |  6.30
-Other   |            | 0.02633    |            |       |  6.47
+Pair    | 0.13746    | 0.17338    | 0.19067    |   5.1 | 43.77
+Neigh   | 0.0096052  | 0.011424   | 0.012275   |   1.0 |  2.88
+Comm    | 0.12394    | 0.14718    | 0.1914     |   7.1 | 37.16
+Output  | 0.00037861 | 0.00056618 | 0.0011225  |   0.0 |  0.14
+Modify  | 0.021838   | 0.024665   | 0.026625   |   1.1 |  6.23
+Other   |            | 0.03886    |            |       |  9.81
 
 Nlocal:    50 ave 53 max 41 min
 Histogram: 1 0 0 0 0 0 0 0 0 3
diff --git a/examples/dreiding/in.dreiding b/examples/dreiding/in.dreiding
index 4b811248d4..db0738fd32 100644
--- a/examples/dreiding/in.dreiding
+++ b/examples/dreiding/in.dreiding
@@ -2,28 +2,28 @@ units           real
 atom_style      full
 boundary        p p p
 dielectric      1
-special_bonds   lj/coul 0.0 0.0 1.0 
+special_bonds   lj/coul 0.0 0.0 1.0
 
 pair_style      hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000  11.5
-bond_style      harmonic  
-angle_style     harmonic  
+bond_style      harmonic
+angle_style     harmonic
 dihedral_style  harmonic
 improper_style  none
-kspace_style    pppm 0.001   
+kspace_style    pppm 0.001
 
 read_data       data.dreiding
 
-pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478 
-pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478 
-pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677 
-pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103 
-pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478 
-pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677 
-pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103 
-pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877 
-pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302 
-pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727 
-pair_coeff      4    4    hbond/dreiding/lj                         2                         i                0.4000E+01         2.750000000000000                         4 
+pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478
+pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478
+pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677
+pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103
+pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478
+pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677
+pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103
+pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877
+pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302
+pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727
+pair_coeff      4    4    hbond/dreiding/lj  2  i  4.000    2.750000000000000      4
 pair_modify     mix arithmetic
 neighbor        2.0 multi
 neigh_modify    every 2 delay 4 check yes
@@ -33,7 +33,11 @@ variable        sname index ch3oh.box.dreiding
 compute   hb all pair hbond/dreiding/lj
 variable    C_hbond equal c_hb[1] #number hbonds
 variable    E_hbond equal c_hb[2] #hbond energy
-thermo_style 	custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
-thermo_modify	line multi format float %14.6f
+thermo_style    custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
+thermo_modify   line multi format float %14.6f
 
-run 0
+fix      1      all nve
+
+thermo 10
+
+run 100
diff --git a/examples/dreiding/log.27Nov18.dreiding.g++.1 b/examples/dreiding/log.27Nov18.dreiding.g++.1
new file mode 100644
index 0000000000..bbc2105238
--- /dev/null
+++ b/examples/dreiding/log.27Nov18.dreiding.g++.1
@@ -0,0 +1,198 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units           real
+atom_style      full
+boundary        p p p
+dielectric      1
+special_bonds   lj/coul 0.0 0.0 1.0
+
+pair_style      hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000  11.5
+bond_style      harmonic
+angle_style     harmonic
+dihedral_style  harmonic
+improper_style  none
+kspace_style    pppm 0.001
+
+read_data       data.dreiding
+  orthogonal box = (0 0 0) to (19.9969 19.1282 19.4697)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  384 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  3 = max dihedrals/atom
+  reading bonds ...
+  320 bonds
+  reading angles ...
+  448 angles
+  reading dihedrals ...
+  192 dihedrals
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  5 = max # of special neighbors
+
+pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478
+pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478
+pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677
+pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103
+pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478
+pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677
+pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103
+pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877
+pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302
+pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727
+pair_coeff      4    4    hbond/dreiding/lj  2  i  4.000    2.750000000000000      4
+pair_modify     mix arithmetic
+neighbor        2.0 multi
+neigh_modify    every 2 delay 4 check yes
+variable        input index in.ch3oh.box.dreiding
+variable        sname index ch3oh.box.dreiding
+
+compute   hb all pair hbond/dreiding/lj
+variable    C_hbond equal c_hb[1] #number hbonds
+variable    E_hbond equal c_hb[2] #hbond energy
+thermo_style    custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
+thermo_modify   line multi format float %14.6f
+
+fix      1      all nve
+
+thermo 10
+
+run 100
+PPPM initialization ...
+WARNING: System is not charge neutral, net charge = -0.00064 (src/kspace.cpp:302)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.142073
+  grid = 3 3 3
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.154715
+  estimated relative force accuracy = 0.00046592
+  using double precision FFTs
+  3d grid and FFT values/proc = 512 27
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 13.5
+  ghost atom cutoff = 13.5
+  binsize = 6.75, bins = 3 3 3
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair hbond/dreiding/lj, perpetual, skip from (3)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/coul/long, perpetual, half/full from (3)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: full, newton on
+      pair build: full/multi
+      stencil: full/multi/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.47 | 11.47 | 11.47 Mbytes
+---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
+TotEng   =     113.723601 KinEng   =       0.000000 Temp     =       0.000000 
+PotEng   =     113.723601 E_bond   =       0.535673 E_angle  =       1.281880 
+E_dihed  =       1.232497 E_impro  =       0.000000 E_vdwl   =    -125.381324 
+E_coul   =     597.219740 E_long   =    -361.164864 v_E_hbond =     -69.322152 
+v_C_hbond =     235.000000 Press    =    -328.847347 Volume   =    7447.236335 
+---------------- Step       10 ----- CPU =      0.0306 (sec) ----------------
+TotEng   =     113.773202 KinEng   =       1.537257 Temp     =       1.346522 
+PotEng   =     112.235945 E_bond   =       0.530880 E_angle  =       1.407481 
+E_dihed  =       1.084172 E_impro  =       0.000000 E_vdwl   =    -126.339883 
+E_coul   =     596.742306 E_long   =    -361.189011 v_E_hbond =     -69.944278 
+v_C_hbond =     240.000000 Press    =    -395.900496 Volume   =    7447.236335 
+---------------- Step       20 ----- CPU =      0.0597 (sec) ----------------
+TotEng   =     113.879292 KinEng   =       2.999580 Temp     =       2.627407 
+PotEng   =     110.879711 E_bond   =       0.549156 E_angle  =       1.323582 
+E_dihed  =       1.357398 E_impro  =       0.000000 E_vdwl   =    -127.482103 
+E_coul   =     596.318729 E_long   =    -361.187051 v_E_hbond =     -70.088343 
+v_C_hbond =     237.000000 Press    =    -487.150418 Volume   =    7447.236335 
+---------------- Step       30 ----- CPU =      0.0889 (sec) ----------------
+TotEng   =     113.587474 KinEng   =       4.369566 Temp     =       3.827412 
+PotEng   =     109.217908 E_bond   =       0.416485 E_angle  =       1.294630 
+E_dihed  =       1.710254 E_impro  =       0.000000 E_vdwl   =    -128.565697 
+E_coul   =     595.560846 E_long   =    -361.198612 v_E_hbond =     -69.848068 
+v_C_hbond =     238.000000 Press    =    -423.966898 Volume   =    7447.236335 
+---------------- Step       40 ----- CPU =      0.1178 (sec) ----------------
+TotEng   =     113.915503 KinEng   =       6.466349 Temp     =       5.664037 
+PotEng   =     107.449154 E_bond   =       0.514530 E_angle  =       1.342583 
+E_dihed  =       1.536929 E_impro  =       0.000000 E_vdwl   =    -129.858713 
+E_coul   =     595.186400 E_long   =    -361.272576 v_E_hbond =     -69.871393 
+v_C_hbond =     237.000000 Press    =    -498.152652 Volume   =    7447.236335 
+---------------- Step       50 ----- CPU =      0.1467 (sec) ----------------
+TotEng   =     113.787839 KinEng   =       8.050614 Temp     =       7.051734 
+PotEng   =     105.737226 E_bond   =       0.652153 E_angle  =       1.416041 
+E_dihed  =       1.363560 E_impro  =       0.000000 E_vdwl   =    -130.513518 
+E_coul   =     594.139769 E_long   =    -361.320780 v_E_hbond =     -69.593967 
+v_C_hbond =     233.000000 Press    =    -557.299799 Volume   =    7447.236335 
+---------------- Step       60 ----- CPU =      0.1755 (sec) ----------------
+TotEng   =     114.120941 KinEng   =      10.318793 Temp     =       9.038489 
+PotEng   =     103.802148 E_bond   =       0.576578 E_angle  =       1.285008 
+E_dihed  =       1.123936 E_impro  =       0.000000 E_vdwl   =    -131.268312 
+E_coul   =     593.450009 E_long   =    -361.365070 v_E_hbond =     -70.107165 
+v_C_hbond =     238.000000 Press    =    -571.907188 Volume   =    7447.236335 
+---------------- Step       70 ----- CPU =      0.2044 (sec) ----------------
+TotEng   =     113.836161 KinEng   =      11.873184 Temp     =      10.400019 
+PotEng   =     101.962977 E_bond   =       0.633521 E_angle  =       1.315999 
+E_dihed  =       1.055318 E_impro  =       0.000000 E_vdwl   =    -131.673572 
+E_coul   =     592.039194 E_long   =    -361.407483 v_E_hbond =     -70.518544 
+v_C_hbond =     240.000000 Press    =    -576.731444 Volume   =    7447.236335 
+---------------- Step       80 ----- CPU =      0.2333 (sec) ----------------
+TotEng   =     113.589436 KinEng   =      13.546467 Temp     =      11.865689 
+PotEng   =     100.042970 E_bond   =       0.637759 E_angle  =       1.439918 
+E_dihed  =       1.020307 E_impro  =       0.000000 E_vdwl   =    -131.980346 
+E_coul   =     590.365879 E_long   =    -361.440548 v_E_hbond =     -71.174370 
+v_C_hbond =     245.000000 Press    =    -735.254308 Volume   =    7447.236335 
+---------------- Step       90 ----- CPU =      0.2622 (sec) ----------------
+TotEng   =     114.100567 KinEng   =      15.870735 Temp     =      13.901574 
+PotEng   =      98.229832 E_bond   =       0.724671 E_angle  =       1.435914 
+E_dihed  =       1.028167 E_impro  =       0.000000 E_vdwl   =    -132.680267 
+E_coul   =     589.225626 E_long   =    -361.504279 v_E_hbond =     -72.653223 
+v_C_hbond =     245.000000 Press    =    -820.598954 Volume   =    7447.236335 
+---------------- Step      100 ----- CPU =      0.2911 (sec) ----------------
+TotEng   =     113.670041 KinEng   =      17.406803 Temp     =      15.247054 
+PotEng   =      96.263238 E_bond   =       0.711253 E_angle  =       1.338059 
+E_dihed  =       1.474770 E_impro  =       0.000000 E_vdwl   =    -132.917719 
+E_coul   =     587.219020 E_long   =    -361.562145 v_E_hbond =     -74.299795 
+v_C_hbond =     246.000000 Press    =    -786.245946 Volume   =    7447.236335 
+Loop time of 0.291149 on 1 procs for 100 steps with 384 atoms
+
+Performance: 29.676 ns/day, 0.809 hours/ns, 343.467 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.255      | 0.255      | 0.255      |   0.0 | 87.59
+Bond    | 0.0042725  | 0.0042725  | 0.0042725  |   0.0 |  1.47
+Kspace  | 0.027151   | 0.027151   | 0.027151   |   0.0 |  9.33
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0034399  | 0.0034399  | 0.0034399  |   0.0 |  1.18
+Output  | 0.00025988 | 0.00025988 | 0.00025988 |   0.0 |  0.09
+Modify  | 0.00059223 | 0.00059223 | 0.00059223 |   0.0 |  0.20
+Other   |            | 0.0004294  |            |       |  0.15
+
+Nlocal:    384 ave 384 max 384 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    4637 ave 4637 max 4637 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    101854 ave 101854 max 101854 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  5624 ave 5624 max 5624 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 101854
+Ave neighs/atom = 265.245
+Ave special neighs/atom = 4
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/dreiding/log.27Nov18.dreiding.g++.4 b/examples/dreiding/log.27Nov18.dreiding.g++.4
new file mode 100644
index 0000000000..f765d71fbe
--- /dev/null
+++ b/examples/dreiding/log.27Nov18.dreiding.g++.4
@@ -0,0 +1,198 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units           real
+atom_style      full
+boundary        p p p
+dielectric      1
+special_bonds   lj/coul 0.0 0.0 1.0
+
+pair_style      hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000  11.5
+bond_style      harmonic
+angle_style     harmonic
+dihedral_style  harmonic
+improper_style  none
+kspace_style    pppm 0.001
+
+read_data       data.dreiding
+  orthogonal box = (0 0 0) to (19.9969 19.1282 19.4697)
+  2 by 1 by 2 MPI processor grid
+  reading atoms ...
+  384 atoms
+  scanning bonds ...
+  4 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  3 = max dihedrals/atom
+  reading bonds ...
+  320 bonds
+  reading angles ...
+  448 angles
+  reading dihedrals ...
+  192 dihedrals
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  5 = max # of special neighbors
+
+pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478
+pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478
+pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677
+pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103
+pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478
+pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677
+pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103
+pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877
+pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302
+pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727
+pair_coeff      4    4    hbond/dreiding/lj  2  i  4.000    2.750000000000000      4
+pair_modify     mix arithmetic
+neighbor        2.0 multi
+neigh_modify    every 2 delay 4 check yes
+variable        input index in.ch3oh.box.dreiding
+variable        sname index ch3oh.box.dreiding
+
+compute   hb all pair hbond/dreiding/lj
+variable    C_hbond equal c_hb[1] #number hbonds
+variable    E_hbond equal c_hb[2] #hbond energy
+thermo_style    custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
+thermo_modify   line multi format float %14.6f
+
+fix      1      all nve
+
+thermo 10
+
+run 100
+PPPM initialization ...
+WARNING: System is not charge neutral, net charge = -0.00064 (src/kspace.cpp:302)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.142073
+  grid = 3 3 3
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.154715
+  estimated relative force accuracy = 0.00046592
+  using double precision FFTs
+  3d grid and FFT values/proc = 392 12
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 13.5
+  ghost atom cutoff = 13.5
+  binsize = 6.75, bins = 3 3 3
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair hbond/dreiding/lj, perpetual, skip from (3)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair lj/cut/coul/long, perpetual, half/full from (3)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: full, newton on
+      pair build: full/multi
+      stencil: full/multi/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 10.17 | 10.17 | 10.17 Mbytes
+---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
+TotEng   =     113.723601 KinEng   =       0.000000 Temp     =       0.000000 
+PotEng   =     113.723601 E_bond   =       0.535673 E_angle  =       1.281880 
+E_dihed  =       1.232497 E_impro  =       0.000000 E_vdwl   =    -125.381324 
+E_coul   =     597.219740 E_long   =    -361.164864 v_E_hbond =     -69.322152 
+v_C_hbond =     235.000000 Press    =    -328.847347 Volume   =    7447.236335 
+---------------- Step       10 ----- CPU =      0.0112 (sec) ----------------
+TotEng   =     113.773202 KinEng   =       1.537257 Temp     =       1.346522 
+PotEng   =     112.235945 E_bond   =       0.530880 E_angle  =       1.407481 
+E_dihed  =       1.084172 E_impro  =       0.000000 E_vdwl   =    -126.339883 
+E_coul   =     596.742306 E_long   =    -361.189011 v_E_hbond =     -69.944278 
+v_C_hbond =     240.000000 Press    =    -395.900496 Volume   =    7447.236335 
+---------------- Step       20 ----- CPU =      0.0206 (sec) ----------------
+TotEng   =     113.879292 KinEng   =       2.999580 Temp     =       2.627407 
+PotEng   =     110.879711 E_bond   =       0.549156 E_angle  =       1.323582 
+E_dihed  =       1.357398 E_impro  =       0.000000 E_vdwl   =    -127.482103 
+E_coul   =     596.318729 E_long   =    -361.187051 v_E_hbond =     -70.088343 
+v_C_hbond =     237.000000 Press    =    -487.150418 Volume   =    7447.236335 
+---------------- Step       30 ----- CPU =      0.0299 (sec) ----------------
+TotEng   =     113.587474 KinEng   =       4.369566 Temp     =       3.827412 
+PotEng   =     109.217908 E_bond   =       0.416485 E_angle  =       1.294630 
+E_dihed  =       1.710254 E_impro  =       0.000000 E_vdwl   =    -128.565697 
+E_coul   =     595.560846 E_long   =    -361.198612 v_E_hbond =     -69.848068 
+v_C_hbond =     238.000000 Press    =    -423.966898 Volume   =    7447.236335 
+---------------- Step       40 ----- CPU =      0.0403 (sec) ----------------
+TotEng   =     113.915503 KinEng   =       6.466349 Temp     =       5.664037 
+PotEng   =     107.449154 E_bond   =       0.514530 E_angle  =       1.342583 
+E_dihed  =       1.536929 E_impro  =       0.000000 E_vdwl   =    -129.858713 
+E_coul   =     595.186400 E_long   =    -361.272576 v_E_hbond =     -69.871393 
+v_C_hbond =     237.000000 Press    =    -498.152652 Volume   =    7447.236335 
+---------------- Step       50 ----- CPU =      0.0494 (sec) ----------------
+TotEng   =     113.787839 KinEng   =       8.050614 Temp     =       7.051734 
+PotEng   =     105.737226 E_bond   =       0.652153 E_angle  =       1.416041 
+E_dihed  =       1.363560 E_impro  =       0.000000 E_vdwl   =    -130.513518 
+E_coul   =     594.139769 E_long   =    -361.320780 v_E_hbond =     -69.593967 
+v_C_hbond =     233.000000 Press    =    -557.299799 Volume   =    7447.236335 
+---------------- Step       60 ----- CPU =      0.0588 (sec) ----------------
+TotEng   =     114.120941 KinEng   =      10.318793 Temp     =       9.038489 
+PotEng   =     103.802148 E_bond   =       0.576578 E_angle  =       1.285008 
+E_dihed  =       1.123936 E_impro  =       0.000000 E_vdwl   =    -131.268312 
+E_coul   =     593.450009 E_long   =    -361.365070 v_E_hbond =     -70.107165 
+v_C_hbond =     238.000000 Press    =    -571.907188 Volume   =    7447.236335 
+---------------- Step       70 ----- CPU =      0.0680 (sec) ----------------
+TotEng   =     113.836161 KinEng   =      11.873184 Temp     =      10.400019 
+PotEng   =     101.962977 E_bond   =       0.633521 E_angle  =       1.315999 
+E_dihed  =       1.055318 E_impro  =       0.000000 E_vdwl   =    -131.673572 
+E_coul   =     592.039194 E_long   =    -361.407483 v_E_hbond =     -70.518544 
+v_C_hbond =     240.000000 Press    =    -576.731444 Volume   =    7447.236335 
+---------------- Step       80 ----- CPU =      0.0790 (sec) ----------------
+TotEng   =     113.589436 KinEng   =      13.546467 Temp     =      11.865689 
+PotEng   =     100.042970 E_bond   =       0.637759 E_angle  =       1.439918 
+E_dihed  =       1.020307 E_impro  =       0.000000 E_vdwl   =    -131.980346 
+E_coul   =     590.365879 E_long   =    -361.440548 v_E_hbond =     -71.174370 
+v_C_hbond =     245.000000 Press    =    -735.254308 Volume   =    7447.236335 
+---------------- Step       90 ----- CPU =      0.0883 (sec) ----------------
+TotEng   =     114.100567 KinEng   =      15.870735 Temp     =      13.901574 
+PotEng   =      98.229832 E_bond   =       0.724671 E_angle  =       1.435914 
+E_dihed  =       1.028167 E_impro  =       0.000000 E_vdwl   =    -132.680267 
+E_coul   =     589.225626 E_long   =    -361.504279 v_E_hbond =     -72.653223 
+v_C_hbond =     245.000000 Press    =    -820.598954 Volume   =    7447.236335 
+---------------- Step      100 ----- CPU =      0.0976 (sec) ----------------
+TotEng   =     113.670041 KinEng   =      17.406803 Temp     =      15.247054 
+PotEng   =      96.263238 E_bond   =       0.711253 E_angle  =       1.338059 
+E_dihed  =       1.474770 E_impro  =       0.000000 E_vdwl   =    -132.917719 
+E_coul   =     587.219020 E_long   =    -361.562145 v_E_hbond =     -74.299795 
+v_C_hbond =     246.000000 Press    =    -786.245946 Volume   =    7447.236335 
+Loop time of 0.0976357 on 4 procs for 100 steps with 384 atoms
+
+Performance: 88.492 ns/day, 0.271 hours/ns, 1024.215 timesteps/s
+96.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.055383   | 0.065178   | 0.07438    |   2.7 | 66.76
+Bond    | 0.00099874 | 0.0011503  | 0.001229   |   0.3 |  1.18
+Kspace  | 0.013823   | 0.022918   | 0.032308   |   4.4 | 23.47
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0064669  | 0.0072899  | 0.0078194  |   0.6 |  7.47
+Output  | 0.00039268 | 0.00043893 | 0.00056481 |   0.0 |  0.45
+Modify  | 0.000175   | 0.00019002 | 0.00020623 |   0.0 |  0.19
+Other   |            | 0.0004706  |            |       |  0.48
+
+Nlocal:    96 ave 104 max 87 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Nghost:    3063.25 ave 3108 max 3024 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Neighs:    25463.5 ave 28799 max 22471 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+FullNghs:  1406 ave 1664 max 1237 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+
+Total # of neighbors = 101854
+Ave neighs/atom = 265.245
+Ave special neighs/atom = 4
+Neighbor list builds = 0
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/dreiding/log.5Oct16.dreiding.g++.1 b/examples/dreiding/log.5Oct16.dreiding.g++.1
deleted file mode 100644
index 5208fe7d1c..0000000000
--- a/examples/dreiding/log.5Oct16.dreiding.g++.1
+++ /dev/null
@@ -1,118 +0,0 @@
-LAMMPS (5 Oct 2016)
-units           real
-atom_style      full
-boundary        p p p
-dielectric      1
-special_bonds   lj/coul 0.0 0.0 1.0
-
-pair_style      hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000  11.5
-bond_style      harmonic
-angle_style     harmonic
-dihedral_style  harmonic
-improper_style  none
-kspace_style    pppm 0.001
-
-read_data       data.dreiding
-  orthogonal box = (0 0 0) to (19.9969 19.1282 19.4697)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  384 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  3 = max dihedrals/atom
-  reading bonds ...
-  320 bonds
-  reading angles ...
-  448 angles
-  reading dihedrals ...
-  192 dihedrals
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  5 = max # of special neighbors
-
-pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478
-pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478
-pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677
-pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103
-pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478
-pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677
-pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103
-pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877
-pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302
-pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727
-pair_coeff      4    4    hbond/dreiding/lj                         2                         i                0.4000E+01         2.750000000000000                         4
-pair_modify     mix arithmetic
-neighbor        2.0 multi
-neigh_modify    every 2 delay 4 check yes
-variable        input index in.ch3oh.box.dreiding
-variable        sname index ch3oh.box.dreiding
-
-compute   hb all pair hbond/dreiding/lj
-variable    C_hbond equal c_hb[1] #number hbonds
-variable    E_hbond equal c_hb[2] #hbond energy
-thermo_style 	custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
-thermo_modify	line multi format float %14.6f
-
-run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-PPPM initialization ...
-WARNING: System is not charge neutral, net charge = -0.00064 (../kspace.cpp:297)
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.142073
-  grid = 3 3 3
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.154715
-  estimated relative force accuracy = 0.00046592
-  using double precision FFTs
-  3d grid and FFT values/proc = 512 27
-Neighbor list info ...
-  3 neighbor list requests
-  update every 2 steps, delay 4 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 13.5
-  ghost atom cutoff = 13.5
-  binsize = 6.75 -> bins = 3 3 3
-Memory usage per processor = 9.19186 Mbytes
----------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
-TotEng   =     113.723601 KinEng   =       0.000000 Temp     =       0.000000 
-PotEng   =     113.723601 E_bond   =       0.535673 E_angle  =       1.281880 
-E_dihed  =       1.232497 E_impro  =       0.000000 E_vdwl   =    -125.381324 
-E_coul   =     597.219740 E_long   =    -361.164864 v_E_hbond =     -69.322152 
-v_C_hbond =     235.000000 Press    =    -328.847347 Volume   =    7447.236335 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 384 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Bond    | 0          | 0          | 0          |   0.0 |  0.00
-Kspace  | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    384 ave 384 max 384 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    4637 ave 4637 max 4637 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    101854 ave 101854 max 101854 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  203708 ave 203708 max 203708 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 203708
-Ave neighs/atom = 530.49
-Ave special neighs/atom = 4
-Neighbor list builds = 0
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:00
diff --git a/examples/dreiding/log.5Oct16.dreiding.g++.4 b/examples/dreiding/log.5Oct16.dreiding.g++.4
deleted file mode 100644
index 551b8cbb1b..0000000000
--- a/examples/dreiding/log.5Oct16.dreiding.g++.4
+++ /dev/null
@@ -1,118 +0,0 @@
-LAMMPS (5 Oct 2016)
-units           real
-atom_style      full
-boundary        p p p
-dielectric      1
-special_bonds   lj/coul 0.0 0.0 1.0
-
-pair_style      hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000  11.5
-bond_style      harmonic
-angle_style     harmonic
-dihedral_style  harmonic
-improper_style  none
-kspace_style    pppm 0.001
-
-read_data       data.dreiding
-  orthogonal box = (0 0 0) to (19.9969 19.1282 19.4697)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  384 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  3 = max dihedrals/atom
-  reading bonds ...
-  320 bonds
-  reading angles ...
-  448 angles
-  reading dihedrals ...
-  192 dihedrals
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  5 = max # of special neighbors
-
-pair_coeff      1    1    lj/cut/coul/long        0.015200000256300         2.846421344984478
-pair_coeff      1    2    lj/cut/coul/long        0.001232882795416         2.846421344984478
-pair_coeff      1    3    lj/cut/coul/long        0.038019995160237         3.159705878878677
-pair_coeff      1    4    lj/cut/coul/long        0.038139744011598         2.939787518071103
-pair_coeff      2    2    lj/cut/coul/long     9.99999974737875e-05         2.846421344984478
-pair_coeff      2    3    lj/cut/coul/long        0.003083828758188         3.159705878878677
-pair_coeff      2    4    lj/cut/coul/long        0.003093541672406         2.939787518071103
-pair_coeff      3    3    lj/cut/coul/long        0.095100000500679         3.472990412772877
-pair_coeff      3    4    lj/cut/coul/long        0.095399530150179         3.253072051965302
-pair_coeff      4    4    lj/cut/coul/long        0.095700003206730         3.033153691157727
-pair_coeff      4    4    hbond/dreiding/lj                         2                         i                0.4000E+01         2.750000000000000                         4
-pair_modify     mix arithmetic
-neighbor        2.0 multi
-neigh_modify    every 2 delay 4 check yes
-variable        input index in.ch3oh.box.dreiding
-variable        sname index ch3oh.box.dreiding
-
-compute   hb all pair hbond/dreiding/lj
-variable    C_hbond equal c_hb[1] #number hbonds
-variable    E_hbond equal c_hb[2] #hbond energy
-thermo_style 	custom etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong v_E_hbond v_C_hbond press vol
-thermo_modify	line multi format float %14.6f
-
-run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-PPPM initialization ...
-WARNING: System is not charge neutral, net charge = -0.00064 (../kspace.cpp:297)
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
-  G vector (1/distance) = 0.142073
-  grid = 3 3 3
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.154715
-  estimated relative force accuracy = 0.00046592
-  using double precision FFTs
-  3d grid and FFT values/proc = 392 12
-Neighbor list info ...
-  3 neighbor list requests
-  update every 2 steps, delay 4 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 13.5
-  ghost atom cutoff = 13.5
-  binsize = 6.75 -> bins = 3 3 3
-Memory usage per processor = 9.05502 Mbytes
----------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
-TotEng   =     113.723601 KinEng   =       0.000000 Temp     =       0.000000 
-PotEng   =     113.723601 E_bond   =       0.535673 E_angle  =       1.281880 
-E_dihed  =       1.232497 E_impro  =       0.000000 E_vdwl   =    -125.381324 
-E_coul   =     597.219740 E_long   =    -361.164864 v_E_hbond =     -69.322152 
-v_C_hbond =     235.000000 Press    =    -328.847347 Volume   =    7447.236335 
-Loop time of 4.52995e-06 on 4 procs for 0 steps with 384 atoms
-
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Bond    | 0          | 0          | 0          |   0.0 |  0.00
-Kspace  | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 4.53e-06   |            |       |100.00
-
-Nlocal:    96 ave 104 max 87 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-Nghost:    3063.25 ave 3108 max 3024 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Neighs:    25463.5 ave 28799 max 22471 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-FullNghs:  50927 ave 55516 max 46073 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 203708
-Ave neighs/atom = 530.49
-Ave special neighs/atom = 4
-Neighbor list builds = 0
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:00

From 4a8f1a7a088bbf4867a981ca964b334f4a8c9355 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 16:11:15 -0500
Subject: [PATCH 213/273] update log files for eim example

---
 examples/eim/ffield.eim            | 146 +----------------------------
 examples/eim/log.27Nov18.eim.g++.1 |  94 +++++++++++++++++++
 examples/eim/log.27Nov18.eim.g++.4 |  94 +++++++++++++++++++
 examples/eim/log.5Oct16.eim.g++.1  |  88 -----------------
 examples/eim/log.5Oct16.eim.g++.4  |  88 -----------------
 5 files changed, 189 insertions(+), 321 deletions(-)
 mode change 100644 => 120000 examples/eim/ffield.eim
 create mode 100644 examples/eim/log.27Nov18.eim.g++.1
 create mode 100644 examples/eim/log.27Nov18.eim.g++.4
 delete mode 100644 examples/eim/log.5Oct16.eim.g++.1
 delete mode 100644 examples/eim/log.5Oct16.eim.g++.4

diff --git a/examples/eim/ffield.eim b/examples/eim/ffield.eim
deleted file mode 100644
index b29bee83a4..0000000000
--- a/examples/eim/ffield.eim
+++ /dev/null
@@ -1,145 +0,0 @@
- global:  2.0000e+00 -1.6450e+00  1.6450e+00 ### DATE: 2010-08-31 CONTRIBUTOR: Xiaowang Zhou, xzhou@sandia.gov CITATION: Zhou, unknown 
-element:  Li    3  6.9410e+00  9.8000e-01  1.1220e+00  1.1220e+00 -1.6500e+00  0.0000e+00
-element:  Na   11  2.2990e+01  9.3000e-01  1.3690e+00  1.3690e+00 -1.1100e+00  0.0000e+00
-element:   K   19  3.9100e+01  8.2000e-01  1.6910e+00  1.6910e+00 -9.3400e-01  0.0000e+00
-element:  Rb   37  8.5470e+01  8.2000e-01  1.8350e+00  1.8350e+00 -8.9200e-01  0.0000e+00
-element:  Cs   55  1.3290e+02  7.9000e-01  2.0040e+00  2.0040e+00 -8.2000e-01  0.0000e+00
-element:   F    9  1.9000e+01  3.9800e+00  9.5600e-01  9.5600e-01 -8.2000e-01  0.0000e+00
-element:  Cl   17  3.5450e+01  3.1600e+00  1.4470e+00  1.4470e+00 -1.2660e+00  0.0000e+00
-element:  Br   35  7.9900e+01  2.9600e+00  1.6070e+00  1.6070e+00 -1.1620e+00  0.0000e+00
-element:  Id   53  1.2690e+02  2.6600e+00  1.8500e+00  1.8500e+00 -1.1100e+00  0.0000e+00
-   pair:  Li  Li  6.0490e+00  6.0490e+00 -2.5330e-01  3.6176e+00  7.5536e+00 &
-                  3.5017e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.0637e+00 &
-                  3.3271e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Li  Na  6.2550e+00  6.2550e+00 -2.1173e-01  3.8107e+00  7.6502e+00 &
-                  3.9066e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.2391e+00 &
-                  4.1481e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Li   K  6.5500e+00  6.5500e+00 -1.9593e-01  4.1243e+00  8.3560e+00 &
-                  4.1457e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.4670e+00 &
-                  3.1840e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Li  Rb  6.6870e+00  6.6870e+00 -1.8748e-01  4.2997e+00  8.8253e+00 &
-                  4.1380e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5690e+00 &
-                  4.7482e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Li  Cs  6.1460e+00  6.1460e+00 -1.8290e-01  3.9687e+00  9.7602e+00 &
-                  5.5766e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.3351e+00 &
-                  5.9605e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Li   F  4.5000e+00  4.5000e+00 -1.2681e+00  1.9644e+00  1.3467e+01 &
-                  5.2272e+00  5.4300e+00  2.1778e-02  2.0090e+00  5.4840e+00 &
-                  6.9987e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Li  Cl  4.5000e+00  4.5000e+00 -1.1727e+00  2.3957e+00  1.3116e+01 &
-                  5.0004e+00  6.9360e+00  2.1778e-02  2.5660e+00  5.9750e+00 &
-                  1.5717e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Li  Br  4.7580e+00  4.7580e+00 -8.5748e-01  2.6727e+00  1.4436e+01 &
-                  9.1593e+00  7.4250e+00  2.1778e-02  2.7470e+00  6.1350e+00 &
-                  1.9827e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Li  Id  5.2390e+00  5.2390e+00 -8.7986e-01  2.9537e+00  1.7362e+01 &
-                  1.0904e+01  8.1770e+00  2.1778e-02  3.0250e+00  6.3780e+00 &
-                  1.9661e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Na  Na  6.4610e+00  6.4610e+00 -1.7698e-01  4.0039e+00  7.7467e+00 &
-                  4.3115e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.4144e+00 &
-                  5.1719e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Na   K  6.7560e+00  6.7560e+00 -1.6377e-01  4.3174e+00  8.4525e+00 &
-                  4.5506e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6423e+00 &
-                  3.9698e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Na  Rb  6.8930e+00  6.8930e+00 -1.5671e-01  4.4929e+00  8.9219e+00 &
-                  4.5430e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7443e+00 &
-                  5.9200e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Na  Cs  6.3520e+00  6.3520e+00 -1.5288e-01  4.1619e+00  9.8567e+00 &
-                  5.9816e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5104e+00 &
-                  7.4315e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Na   F  4.5000e+00  4.5000e+00 -1.1620e+00  2.1974e+00  1.1049e+01 &
-                  4.1424e+00  6.2360e+00  2.1778e-02  2.3070e+00  5.7310e+00 &
-                  4.9728e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Na  Cl  4.8740e+00  4.8740e+00 -8.9972e-01  2.6668e+00  9.4654e+00 &
-                  4.9503e+00  7.6060e+00  2.1778e-02  2.8140e+00  6.2220e+00 &
-                  7.7787e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Na  Br  5.1630e+00  5.1630e+00 -8.0673e-01  2.7422e+00  8.1178e+00 &
-                  3.3460e+00  8.0580e+00  2.1778e-02  2.9810e+00  6.3820e+00 &
-                  4.0042e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Na  Id  5.5960e+00  5.5960e+00 -7.2203e-01  3.0252e+00  9.7019e+00 &
-                  4.4260e+00  8.7330e+00  2.1778e-02  3.2310e+00  6.6250e+00 &
-                  5.9680e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:   K   K  7.0510e+00  7.0510e+00 -1.5155e-01  4.6310e+00  9.1583e+00 &
-                  4.7898e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8702e+00 &
-                  3.0471e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   K  Rb  7.1880e+00  7.1880e+00 -1.4502e-01  4.8065e+00  9.6276e+00 &
-                  4.7821e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.9722e+00 &
-                  4.5441e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   K  Cs  6.6460e+00  6.6460e+00 -1.4147e-01  4.4755e+00  1.0563e+01 &
-                  6.2207e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7383e+00 &
-                  5.7043e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   K   F  4.6140e+00  4.6140e+00 -1.0775e+00  2.5856e+00  1.0225e+01 &
-                  5.4019e+00  7.2010e+00  2.1778e-02  2.6640e+00  6.0530e+00 &
-                  1.0410e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:   K  Cl  5.4370e+00  5.4370e+00 -8.1301e-01  3.0910e+00  1.2573e+01 &
-                  7.0710e+00  8.4850e+00  2.1778e-02  3.1390e+00  6.5440e+00 &
-                  1.4487e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:   K  Br  5.7030e+00  5.7030e+00 -6.7522e-01  3.2878e+00  1.7293e+01 &
-                  1.0996e+01  8.9010e+00  2.1778e-02  3.2930e+00  6.7040e+00 &
-                  1.1194e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:   K  Id  6.1070e+00  6.1070e+00 -6.0446e-01  3.5269e+00  1.4089e+01 &
-                  9.0912e+00  9.5310e+00  2.1778e-02  3.5260e+00  6.9470e+00 &
-                  3.0858e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Rb  Rb  7.3250e+00  7.3250e+00 -1.3877e-01  4.9819e+00  1.0097e+01 &
-                  4.7744e+00  0.0000e+00  2.1778e-02  2.0000e+00  8.0742e+00 &
-                  6.7765e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Rb  Cs  6.7840e+00  6.7840e+00 -1.3538e-01  4.6509e+00  1.1032e+01 &
-                  6.2130e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8403e+00 &
-                  8.5066e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Rb   F  4.8760e+00  4.8760e+00 -1.0823e+00  2.7541e+00  1.3747e+01 &
-                  7.6226e+00  7.6090e+00  2.1778e-02  2.8150e+00  6.1970e+00 &
-                  1.6872e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Rb  Cl  5.6900e+00  5.6900e+00 -7.8153e-01  3.2541e+00  1.5328e+01 &
-                  7.5403e+00  8.8790e+00  2.1778e-02  3.2850e+00  6.6880e+00 &
-                  5.1848e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Rb  Br  5.9480e+00  5.9480e+00 -6.4488e-01  3.4287e+00  1.4880e+01 &
-                  9.5493e+00  9.2820e+00  2.1778e-02  3.4340e+00  6.8480e+00 &
-                  1.3768e-02  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Rb  Id  6.3440e+00  6.3440e+00 -5.3162e-01  3.6720e+00  1.5074e+01 &
-                  9.7627e+00  9.9010e+00  2.1778e-02  3.6630e+00  7.0910e+00 &
-                  7.4616e-02  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Cs  Cs  6.2420e+00  6.2420e+00 -1.3207e-01  4.3199e+00  1.1967e+01 &
-                  7.6516e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6064e+00 &
-                  1.0679e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Cs   F  5.2050e+00  5.2050e+00 -9.8283e-01  3.0007e+00  1.3854e+01 &
-                  7.7871e+00  8.1230e+00  2.1778e-02  3.0050e+00  6.3660e+00 &
-                  2.3092e-01  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Cs  Cl  5.9750e+00  5.9750e+00 -5.8967e-01  3.4958e+00  1.1434e+01 &
-                  6.9253e+00  9.3250e+00  2.1778e-02  3.4500e+00  6.8570e+00 &
-                  2.1629e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Cs  Br  6.2320e+00  6.2320e+00 -5.5406e-01  3.6322e+00  1.2533e+01 &
-                  8.0448e+00  9.7250e+00  2.1778e-02  3.5980e+00  7.0170e+00 &
-                  2.1997e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:  Cs  Id  6.6210e+00  6.6210e+00 -5.3436e-01  3.8333e+00  1.2407e+01 &
-                  7.9302e+00  1.0334e+01  2.1778e-02  3.8230e+00  7.2600e+00 &
-                  2.0446e+00  6.0000e-01  2.0000e+00  2.0000e+00
-   pair:   F   F  6.0090e+00  6.0090e+00 -1.3323e-01  4.0026e+00  7.7698e+00 &
-                  2.9898e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.0273e+00 &
-                  1.0029e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   F  Cl  6.2890e+00  6.2890e+00 -1.6693e-01  4.3780e+00  8.0429e+00 &
-                  3.2973e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.2844e+00 &
-                  4.0767e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   F  Br  6.4380e+00  6.4380e+00 -1.6007e-01  4.3642e+00  8.0224e+00 &
-                  4.1481e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.3941e+00 &
-                  4.3519e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:   F  Id  6.6670e+00  6.6670e+00 -1.5664e-01  4.6057e+00  8.3941e+00 &
-                  4.1673e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5606e+00 &
-                  3.8866e-01  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Cl  Cl  6.5690e+00  6.5690e+00 -2.0915e-01  4.7534e+00  8.3161e+00 &
-                  3.6047e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.5415e+00 &
-                  1.6571e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Cl  Br  6.7180e+00  6.7180e+00 -2.0056e-01  4.7396e+00  8.2956e+00 &
-                  4.4555e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.6512e+00 &
-                  1.7690e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Cl  Id  6.9470e+00  6.9470e+00 -1.9626e-01  4.9811e+00  8.6672e+00 &
-                  4.4747e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.8177e+00 &
-                  1.5798e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Br  Br  6.8670e+00  6.8670e+00 -1.9232e-01  4.7259e+00  8.2751e+00 &
-                  5.3064e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.7610e+00 &
-                  1.8884e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Br  Id  7.0960e+00  7.0960e+00 -1.8820e-01  4.9674e+00  8.6467e+00 &
-                  5.3256e+00  0.0000e+00  2.1778e-02  2.0000e+00  7.9274e+00 &
-                  1.6865e+00  6.0000e-01  2.0000e+00  1.0000e+00
-   pair:  Id  Id  7.3250e+00  7.3250e+00 -1.8417e-01  5.2089e+00  9.0184e+00 &
-                  5.3448e+00  0.0000e+00  2.1778e-02  2.0000e+00  8.0939e+00 &
-                  1.5062e+00  6.0000e-01  2.0000e+00  1.0000e+00
diff --git a/examples/eim/ffield.eim b/examples/eim/ffield.eim
new file mode 120000
index 0000000000..46a319baeb
--- /dev/null
+++ b/examples/eim/ffield.eim
@@ -0,0 +1 @@
+../../potentials/ffield.eim
\ No newline at end of file
diff --git a/examples/eim/log.27Nov18.eim.g++.1 b/examples/eim/log.27Nov18.eim.g++.1
new file mode 100644
index 0000000000..e36d3f4d5f
--- /dev/null
+++ b/examples/eim/log.27Nov18.eim.g++.1
@@ -0,0 +1,94 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# NaCl test problem for embedded atom method (EIM) potential
+
+units		metal
+atom_style      atomic
+
+boundary	p p p
+
+lattice         diamond 5.0
+Lattice spacing in x,y,z = 5 5 5
+read_data       data.eim
+  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2000 atoms
+  reading velocities ...
+  2000 velocities
+
+pair_style      eim
+pair_coeff      * * Na Cl ffield.eim Na Cl
+Reading potential file ffield.eim with DATE: 2010-08-31
+
+neighbor	0.3 bin
+neigh_modify	delay 0
+
+timestep        0.001
+thermo_style    custom step pe pxx pyy pzz temp
+thermo          50
+
+velocity        all create 1400.0 43454 dist gaussian mom yes
+fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
+
+#dump		id all atom 100 dump.eim
+
+#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Na Cl
+
+#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Na Cl
+
+run             500
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7.906
+  ghost atom cutoff = 7.906
+  binsize = 3.953, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eim, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.169 | 3.169 | 3.169 Mbytes
+Step PotEng Pxx Pyy Pzz Temp 
+       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
+      50   -5773.8755      1024.91    1034.0269     838.0568    891.54632 
+     100   -5742.8536     806.6806    769.72456     836.8687    838.72572 
+     150   -5738.7736   -355.86552     -362.389   -155.34159    900.47212 
+     200   -5704.2318   -227.29937   -538.51196    -762.1005    834.64611 
+     250   -5724.4788    502.49466    657.68817    529.01376    966.07978 
+     300   -5718.6085    457.03928    186.13362    725.43587    934.80653 
+     350   -5722.7713   -318.51677   -377.15809    125.76892    865.12488 
+     400   -5743.7387   -2.3555301    61.330533   -402.22943    840.67167 
+     450   -5751.2518   -437.13614   -374.77859    236.60865    743.10367 
+     500   -5780.5268   -750.96919   -793.62966   -1722.9652    712.74134 
+Loop time of 6.10824 on 1 procs for 500 steps with 2000 atoms
+
+Performance: 7.072 ns/day, 3.393 hours/ns, 81.857 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.5778     | 5.5778     | 5.5778     |   0.0 | 91.32
+Neigh   | 0.43316    | 0.43316    | 0.43316    |   0.0 |  7.09
+Comm    | 0.027343   | 0.027343   | 0.027343   |   0.0 |  0.45
+Output  | 0.00038743 | 0.00038743 | 0.00038743 |   0.0 |  0.01
+Modify  | 0.060761   | 0.060761   | 0.060761   |   0.0 |  0.99
+Other   |            | 0.008835   |            |       |  0.14
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    4198 ave 4198 max 4198 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    99451 ave 99451 max 99451 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 99451
+Ave neighs/atom = 49.7255
+Neighbor list builds = 90
+Dangerous builds = 10
+Total wall time: 0:00:06
diff --git a/examples/eim/log.27Nov18.eim.g++.4 b/examples/eim/log.27Nov18.eim.g++.4
new file mode 100644
index 0000000000..08abee78b5
--- /dev/null
+++ b/examples/eim/log.27Nov18.eim.g++.4
@@ -0,0 +1,94 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# NaCl test problem for embedded atom method (EIM) potential
+
+units		metal
+atom_style      atomic
+
+boundary	p p p
+
+lattice         diamond 5.0
+Lattice spacing in x,y,z = 5 5 5
+read_data       data.eim
+  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2000 atoms
+  reading velocities ...
+  2000 velocities
+
+pair_style      eim
+pair_coeff      * * Na Cl ffield.eim Na Cl
+Reading potential file ffield.eim with DATE: 2010-08-31
+
+neighbor	0.3 bin
+neigh_modify	delay 0
+
+timestep        0.001
+thermo_style    custom step pe pxx pyy pzz temp
+thermo          50
+
+velocity        all create 1400.0 43454 dist gaussian mom yes
+fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
+
+#dump		id all atom 100 dump.eim
+
+#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Na Cl
+
+#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Na Cl
+
+run             500
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7.906
+  ghost atom cutoff = 7.906
+  binsize = 3.953, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eim, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.051 | 3.051 | 3.051 Mbytes
+Step PotEng Pxx Pyy Pzz Temp 
+       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
+      50   -5773.8755      1024.91    1034.0269     838.0568    891.54632 
+     100   -5742.8536     806.6806    769.72456     836.8687    838.72572 
+     150   -5738.7736   -355.86552     -362.389   -155.34159    900.47212 
+     200   -5704.2318   -227.29937   -538.51196    -762.1005    834.64611 
+     250   -5724.4788    502.49466    657.68817    529.01376    966.07978 
+     300   -5718.6085    457.03928    186.13362    725.43587    934.80653 
+     350   -5722.7713   -318.51677   -377.15809    125.76892    865.12488 
+     400   -5743.7387   -2.3555301    61.330533   -402.22943    840.67167 
+     450   -5751.2518   -437.13614   -374.77859    236.60865    743.10367 
+     500   -5780.5268   -750.96919   -793.62966   -1722.9652    712.74134 
+Loop time of 1.79017 on 4 procs for 500 steps with 2000 atoms
+
+Performance: 24.132 ns/day, 0.995 hours/ns, 279.303 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.5775     | 1.584      | 1.5959     |   0.6 | 88.48
+Neigh   | 0.10838    | 0.10882    | 0.10955    |   0.1 |  6.08
+Comm    | 0.050677   | 0.062797   | 0.069371   |   2.9 |  3.51
+Output  | 0.00031972 | 0.00056875 | 0.0013139  |   0.0 |  0.03
+Modify  | 0.027115   | 0.02819    | 0.028965   |   0.4 |  1.57
+Other   |            | 0.005774   |            |       |  0.32
+
+Nlocal:    500 ave 501 max 499 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    2180.25 ave 2183 max 2177 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Neighs:    24862.8 ave 25154 max 24659 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+
+Total # of neighbors = 99451
+Ave neighs/atom = 49.7255
+Neighbor list builds = 90
+Dangerous builds = 10
+Total wall time: 0:00:01
diff --git a/examples/eim/log.5Oct16.eim.g++.1 b/examples/eim/log.5Oct16.eim.g++.1
deleted file mode 100644
index 7963101f8e..0000000000
--- a/examples/eim/log.5Oct16.eim.g++.1
+++ /dev/null
@@ -1,88 +0,0 @@
-LAMMPS (5 Oct 2016)
-# NaCl test problem for embedded atom method (EIM) potential
-
-units		metal
-atom_style      atomic
-
-boundary	p p p
-
-lattice         diamond 5.0
-Lattice spacing in x,y,z = 5 5 5
-read_data       data.eim
-  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  2000 atoms
-  reading velocities ...
-  2000 velocities
-
-pair_style      eim
-pair_coeff      * * Na Cl ffield.eim Na Cl
-Reading potential file ffield.eim with DATE: 2010-08-31
-
-neighbor	0.3 bin
-neigh_modify	delay 0
-
-timestep        0.001
-thermo_style    custom step pe pxx pyy pzz temp
-thermo          50
-
-velocity        all create 1400.0 43454 dist gaussian mom yes
-fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
-
-#dump		id all atom 100 dump.eim
-
-#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 3 element Na Cl
-
-#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 3 element Na Cl
-
-run             500
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7.906
-  ghost atom cutoff = 7.906
-  binsize = 3.953 -> bins = 10 10 10
-Memory usage per processor = 2.76959 Mbytes
-Step PotEng Pxx Pyy Pzz Temp 
-       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
-      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
-     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
-     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
-     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
-     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
-     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
-     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
-     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
-     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
-     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
-Loop time of 5.86191 on 1 procs for 500 steps with 2000 atoms
-
-Performance: 7.370 ns/day, 3.257 hours/ns, 85.296 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 5.4001     | 5.4001     | 5.4001     |   0.0 | 92.12
-Neigh   | 0.37572    | 0.37572    | 0.37572    |   0.0 |  6.41
-Comm    | 0.019177   | 0.019177   | 0.019177   |   0.0 |  0.33
-Output  | 0.00028348 | 0.00028348 | 0.00028348 |   0.0 |  0.00
-Modify  | 0.057656   | 0.057656   | 0.057656   |   0.0 |  0.98
-Other   |            | 0.008926   |            |       |  0.15
-
-Nlocal:    2000 ave 2000 max 2000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    4194 ave 4194 max 4194 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    99537 ave 99537 max 99537 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 99537
-Ave neighs/atom = 49.7685
-Neighbor list builds = 89
-Dangerous builds = 10
-Total wall time: 0:00:05
diff --git a/examples/eim/log.5Oct16.eim.g++.4 b/examples/eim/log.5Oct16.eim.g++.4
deleted file mode 100644
index 57713509e2..0000000000
--- a/examples/eim/log.5Oct16.eim.g++.4
+++ /dev/null
@@ -1,88 +0,0 @@
-LAMMPS (5 Oct 2016)
-# NaCl test problem for embedded atom method (EIM) potential
-
-units		metal
-atom_style      atomic
-
-boundary	p p p
-
-lattice         diamond 5.0
-Lattice spacing in x,y,z = 5 5 5
-read_data       data.eim
-  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  2000 atoms
-  reading velocities ...
-  2000 velocities
-
-pair_style      eim
-pair_coeff      * * Na Cl ffield.eim Na Cl
-Reading potential file ffield.eim with DATE: 2010-08-31
-
-neighbor	0.3 bin
-neigh_modify	delay 0
-
-timestep        0.001
-thermo_style    custom step pe pxx pyy pzz temp
-thermo          50
-
-velocity        all create 1400.0 43454 dist gaussian mom yes
-fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
-
-#dump		id all atom 100 dump.eim
-
-#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 3 element Na Cl
-
-#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 3 element Na Cl
-
-run             500
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7.906
-  ghost atom cutoff = 7.906
-  binsize = 3.953 -> bins = 10 10 10
-Memory usage per processor = 2.70056 Mbytes
-Step PotEng Pxx Pyy Pzz Temp 
-       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
-      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
-     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
-     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
-     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
-     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
-     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
-     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
-     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
-     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
-     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
-Loop time of 1.56761 on 4 procs for 500 steps with 2000 atoms
-
-Performance: 27.558 ns/day, 0.871 hours/ns, 318.957 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.3749     | 1.3896     | 1.4073     |   1.1 | 88.65
-Neigh   | 0.093211   | 0.094616   | 0.096788   |   0.5 |  6.04
-Comm    | 0.034484   | 0.05451    | 0.070809   |   6.2 |  3.48
-Output  | 0.00025511 | 0.00026953 | 0.00029612 |   0.1 |  0.02
-Modify  | 0.023773   | 0.023898   | 0.024043   |   0.1 |  1.52
-Other   |            | 0.004684   |            |       |  0.30
-
-Nlocal:    500 ave 501 max 498 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-Nghost:    2179.25 ave 2182 max 2175 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-Neighs:    24884.2 ave 25164 max 24622 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-
-Total # of neighbors = 99537
-Ave neighs/atom = 49.7685
-Neighbor list builds = 89
-Dangerous builds = 10
-Total wall time: 0:00:01

From 8e07aaf00555458826e2d22f844d4c85003718fb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 16:16:19 -0500
Subject: [PATCH 214/273] update log files for ellipse and flow examples

---
 .../log.27Nov18.ellipse.gayberne.g++.1        | 192 ++++++++++++++++++
 .../log.27Nov18.ellipse.gayberne.g++.4        | 192 ++++++++++++++++++
 .../log.27Nov18.ellipse.resquared.g++.1       | 189 +++++++++++++++++
 .../log.27Nov18.ellipse.resquared.g++.4       | 189 +++++++++++++++++
 .../ellipse/log.5Oct16.ellipse.gayberne.g++.1 | 185 -----------------
 .../ellipse/log.5Oct16.ellipse.gayberne.g++.4 | 185 -----------------
 .../log.5Oct16.ellipse.resquared.g++.1        | 182 -----------------
 .../log.5Oct16.ellipse.resquared.g++.4        | 182 -----------------
 ...e.g++.1 => log.27Nov18.flow.couette.g++.1} |  35 ++--
 ...e.g++.4 => log.27Nov18.flow.couette.g++.4} |  35 ++--
 ...pois.g++.1 => log.27Nov18.flow.pois.g++.1} |  35 ++--
 ...pois.g++.4 => log.27Nov18.flow.pois.g++.4} |  35 ++--
 12 files changed, 846 insertions(+), 790 deletions(-)
 create mode 100644 examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1
 create mode 100644 examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4
 create mode 100644 examples/ellipse/log.27Nov18.ellipse.resquared.g++.1
 create mode 100644 examples/ellipse/log.27Nov18.ellipse.resquared.g++.4
 delete mode 100644 examples/ellipse/log.5Oct16.ellipse.gayberne.g++.1
 delete mode 100644 examples/ellipse/log.5Oct16.ellipse.gayberne.g++.4
 delete mode 100644 examples/ellipse/log.5Oct16.ellipse.resquared.g++.1
 delete mode 100644 examples/ellipse/log.5Oct16.ellipse.resquared.g++.4
 rename examples/flow/{log.5Oct16.flow.couette.g++.1 => log.27Nov18.flow.couette.g++.1} (80%)
 rename examples/flow/{log.5Oct16.flow.couette.g++.4 => log.27Nov18.flow.couette.g++.4} (80%)
 rename examples/flow/{log.5Oct16.flow.pois.g++.1 => log.27Nov18.flow.pois.g++.1} (80%)
 rename examples/flow/{log.5Oct16.flow.pois.g++.4 => log.27Nov18.flow.pois.g++.4} (80%)

diff --git a/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1 b/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1
new file mode 100644
index 0000000000..cf7d851f64
--- /dev/null
+++ b/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1
@@ -0,0 +1,192 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# GayBerne ellipsoids in LJ background fluid
+
+units	     lj
+atom_style   ellipsoid
+dimension    2
+
+lattice	     sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region	     box block 0 20 0 20 -0.5 0.5
+create_box   2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+  1 by 1 by 1 MPI processor grid
+create_atoms 1 box
+Created 400 atoms
+  Time spent = 0.000507116 secs
+
+set	     group all type/fraction 2 0.1 95392
+  45 settings made for type/fraction
+set 	     type 1 mass 1.0
+  355 settings made for mass
+set 	     type 2 mass 1.5
+  45 settings made for mass
+set 	     type 1 shape 1 1 1
+  355 settings made for shape
+set 	     type 2 shape 3 1 1
+  45 settings made for shape
+set	     group all quat/random 18238
+  400 settings made for quat/random
+
+compute	     rot all temp/asphere
+group	     spheroid type 1
+355 atoms in group spheroid
+variable     dof equal count(spheroid)+2
+compute_modify rot extra/dof ${dof}
+compute_modify rot extra/dof 357
+
+velocity     all create 2.4 87287 loop geom
+
+pair_style   gayberne 1.0 3.0 1.0 4.0
+pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5
+pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0
+pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0
+
+neighbor     0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo	     100
+
+timestep     0.002
+
+compute	     q all property/atom quatw quati quatj quatk
+
+#dump	     1 all custom 100 dump.ellipse.gayberne #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
+
+#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
+
+#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
+
+fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
+fix	     2 all enforce2d
+
+compute_modify 1_temp extra/dof ${dof}
+compute_modify 1_temp extra/dof 357
+
+# equilibrate to shrink box around dilute system
+
+run	     2000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.8
+  ghost atom cutoff = 4.8
+  binsize = 2.4, bins = 59 59 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gayberne, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.752 | 4.752 | 4.752 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+       0    2.2718861            0        2.394      0.04788        20000 
+     100    1.7443419            0    1.8381003  0.035765442    20557.278 
+     200    2.2768798            0    2.3992621  0.046544845    20618.928 
+     300    1.8573086            0    1.9571389   0.04239709    18464.842 
+     400    2.1707875 -0.00045989278    2.2870073  0.066725499    13701.839 
+     500    1.9710982 -0.014545321    2.0486111   0.12205188    8490.5214 
+     600    2.0818888  -0.21572832    1.8356955   0.22333255    4697.3035 
+     700    2.1551458  -0.68175426    1.4003368   0.60385996     2541.157 
+     800    1.8879651   -1.6357045   0.21794544    1.0826917    1444.4484 
+     900    2.1993533   -3.0664068  -0.91036919    3.2142529    925.96691 
+    1000    1.4285977   -4.3962037   -2.9651113    3.1830461    744.91324 
+    1100     1.933074   -4.9398703   -3.0147256    1.4694937    715.30906 
+    1200    2.0872875   -4.5711608   -2.4689861    1.4091154    757.68606 
+    1300    1.8950043   -4.1568789   -2.2487345   0.19138859    846.69407 
+    1400    2.1773467   -3.7905723   -1.6164698   0.55639059    930.77026 
+    1500     1.934954   -3.5505876   -1.6187812    0.2572587    1020.2803 
+    1600     2.083004   -3.2707357   -1.1794873   0.68661802    1088.5587 
+    1700    1.9434093   -3.2434441   -1.3043926   0.72465776    1136.9866 
+    1800    1.9731416   -3.2692426   -1.3364608   0.52887378    1162.1022 
+    1900    2.0618126   -3.2264372    -1.162807   0.93455596    1155.8306 
+    2000     1.894614   -3.3964158   -1.4932323   0.69021871    1125.7713 
+Loop time of 0.950695 on 1 procs for 2000 steps with 400 atoms
+
+Performance: 363523.513 tau/day, 2103.724 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.72638    | 0.72638    | 0.72638    |   0.0 | 76.40
+Neigh   | 0.015026   | 0.015026   | 0.015026   |   0.0 |  1.58
+Comm    | 0.015169   | 0.015169   | 0.015169   |   0.0 |  1.60
+Output  | 0.0004487  | 0.0004487  | 0.0004487  |   0.0 |  0.05
+Modify  | 0.18921    | 0.18921    | 0.18921    |   0.0 | 19.90
+Other   |            | 0.004463   |            |       |  0.47
+
+Nlocal:    400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    247 ave 247 max 247 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3021 ave 3021 max 3021 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3021
+Ave neighs/atom = 7.5525
+Neighbor list builds = 137
+Dangerous builds = 80
+
+# run dynamics on dense system
+
+unfix	     1
+fix	     1 all nve/asphere
+
+run	     2000
+Per MPI rank memory allocation (min/avg/max) = 4.763 | 4.763 | 4.763 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+    2000     1.894614   -3.3964158   -1.4932323   0.69021871    1125.7713 
+    2100    1.8880098   -3.3875135   -1.4857102   0.21017294    1125.7713 
+    2200    1.9098636   -3.4103342   -1.5286928   0.58806422    1125.7713 
+    2300    1.9069018   -3.4099451   -1.6100279   0.63472569    1125.7713 
+    2400    1.9773111   -3.4856999   -1.5268537   0.68904663    1125.7713 
+    2500    2.0027582   -3.5144592   -1.4900208   0.59925433    1125.7713 
+    2600    1.9616623   -3.4744355   -1.5230915   0.26873349    1125.7713 
+    2700    1.8601168   -3.3625754   -1.4872109   0.68399005    1125.7713 
+    2800    1.8194253    -3.319084   -1.5148077   0.62537226    1125.7713 
+    2900    1.8465082   -3.3451652   -1.5508026   0.60163613    1125.7713 
+    3000    1.8894551   -3.3918005   -1.5180435   0.61243969    1125.7713 
+    3100     1.866554   -3.3662479   -1.5275331   0.54334005    1125.7713 
+    3200    1.8233715   -3.3204693   -1.5180055   0.82717864    1125.7713 
+    3300    1.7945158   -3.2898507   -1.4976351   0.56745564    1125.7713 
+    3400    1.8242025   -3.3242538   -1.5070312    1.0550995    1125.7713 
+    3500     1.860405   -3.3595757   -1.5138968   0.56959347    1125.7713 
+    3600      1.76951   -3.2635375   -1.5302852   0.47091998    1125.7713 
+    3700    1.7874111   -3.2838743   -1.4858244   0.74507678    1125.7713 
+    3800    1.8084002   -3.3081089   -1.5294313   0.63717641    1125.7713 
+    3900    1.9201118   -3.4261733   -1.4874713    0.4111663    1125.7713 
+    4000    1.9130445   -3.4170846     -1.49357   0.35783848    1125.7713 
+Loop time of 1.05944 on 1 procs for 2000 steps with 400 atoms
+
+Performance: 326208.857 tau/day, 1887.783 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.91753    | 0.91753    | 0.91753    |   0.0 | 86.60
+Neigh   | 0.0072479  | 0.0072479  | 0.0072479  |   0.0 |  0.68
+Comm    | 0.016155   | 0.016155   | 0.016155   |   0.0 |  1.52
+Output  | 0.00042105 | 0.00042105 | 0.00042105 |   0.0 |  0.04
+Modify  | 0.11222    | 0.11222    | 0.11222    |   0.0 | 10.59
+Other   |            | 0.005868   |            |       |  0.55
+
+Nlocal:    400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    243 ave 243 max 243 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3073 ave 3073 max 3073 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3073
+Ave neighs/atom = 7.6825
+Neighbor list builds = 46
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:02
diff --git a/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4 b/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4
new file mode 100644
index 0000000000..e15ce8474f
--- /dev/null
+++ b/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4
@@ -0,0 +1,192 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# GayBerne ellipsoids in LJ background fluid
+
+units	     lj
+atom_style   ellipsoid
+dimension    2
+
+lattice	     sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region	     box block 0 20 0 20 -0.5 0.5
+create_box   2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+  2 by 2 by 1 MPI processor grid
+create_atoms 1 box
+Created 400 atoms
+  Time spent = 0.000466347 secs
+
+set	     group all type/fraction 2 0.1 95392
+  45 settings made for type/fraction
+set 	     type 1 mass 1.0
+  355 settings made for mass
+set 	     type 2 mass 1.5
+  45 settings made for mass
+set 	     type 1 shape 1 1 1
+  355 settings made for shape
+set 	     type 2 shape 3 1 1
+  45 settings made for shape
+set	     group all quat/random 18238
+  400 settings made for quat/random
+
+compute	     rot all temp/asphere
+group	     spheroid type 1
+355 atoms in group spheroid
+variable     dof equal count(spheroid)+2
+compute_modify rot extra/dof ${dof}
+compute_modify rot extra/dof 357
+
+velocity     all create 2.4 87287 loop geom
+
+pair_style   gayberne 1.0 3.0 1.0 4.0
+pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5
+pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0
+pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0
+
+neighbor     0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo	     100
+
+timestep     0.002
+
+compute	     q all property/atom quatw quati quatj quatk
+
+#dump	     1 all custom 100 dump.ellipse.gayberne #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
+
+#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
+
+#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
+
+fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
+fix	     2 all enforce2d
+
+compute_modify 1_temp extra/dof ${dof}
+compute_modify 1_temp extra/dof 357
+
+# equilibrate to shrink box around dilute system
+
+run	     2000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.8
+  ghost atom cutoff = 4.8
+  binsize = 2.4, bins = 59 59 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gayberne, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.738 | 4.738 | 4.738 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+       0    2.2718861            0        2.394      0.04788        20000 
+     100    1.7443419            0    1.8381003  0.035765442    20557.278 
+     200    2.2768798            0    2.3992621  0.046544845    20618.928 
+     300    1.8573086            0    1.9571389   0.04239709    18464.842 
+     400    2.1707875 -0.00045989278    2.2870073  0.066725499    13701.839 
+     500    1.9710982 -0.014545321    2.0486111   0.12205188    8490.5214 
+     600    2.0818888  -0.21572832    1.8356955   0.22333255    4697.3035 
+     700    2.1551458  -0.68175426    1.4003368   0.60385996     2541.157 
+     800    1.8879651   -1.6357045   0.21794544    1.0826917    1444.4484 
+     900    2.1993533   -3.0664068  -0.91036919    3.2142529    925.96691 
+    1000    1.4285977   -4.3962037   -2.9651113    3.1830461    744.91324 
+    1100     1.933074   -4.9398703   -3.0147256    1.4694937    715.30906 
+    1200    2.0872875   -4.5711608   -2.4689861    1.4091154    757.68606 
+    1300    1.8950043   -4.1568789   -2.2487345   0.19138859    846.69407 
+    1400    2.1773467   -3.7905723   -1.6164698   0.55639059    930.77026 
+    1500     1.934954   -3.5505876   -1.6187812    0.2572587    1020.2803 
+    1600     2.083004   -3.2707357   -1.1794873   0.68661802    1088.5587 
+    1700    1.9434093   -3.2434441   -1.3043926   0.72465775    1136.9866 
+    1800    1.9731416   -3.2692426   -1.3364608   0.52887379    1162.1022 
+    1900    2.0618126   -3.2264372    -1.162807   0.93455596    1155.8306 
+    2000     1.894614   -3.3964158   -1.4932323   0.69021875    1125.7713 
+Loop time of 0.349687 on 4 procs for 2000 steps with 400 atoms
+
+Performance: 988313.640 tau/day, 5719.408 timesteps/s
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.17051    | 0.19038    | 0.20513    |   3.1 | 54.44
+Neigh   | 0.0039656  | 0.0043136  | 0.0049045  |   0.6 |  1.23
+Comm    | 0.054327   | 0.071206   | 0.087044   |   4.9 | 20.36
+Output  | 0.00043106 | 0.00062788 | 0.0012097  |   0.0 |  0.18
+Modify  | 0.072846   | 0.077488   | 0.081302   |   1.2 | 22.16
+Other   |            | 0.005673   |            |       |  1.62
+
+Nlocal:    100 ave 112 max 84 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    146.75 ave 156 max 137 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    755.25 ave 889 max 589 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+
+Total # of neighbors = 3021
+Ave neighs/atom = 7.5525
+Neighbor list builds = 137
+Dangerous builds = 80
+
+# run dynamics on dense system
+
+unfix	     1
+fix	     1 all nve/asphere
+
+run	     2000
+Per MPI rank memory allocation (min/avg/max) = 4.74 | 4.74 | 4.74 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+    2000     1.894614   -3.3964158   -1.4932323   0.69021875    1125.7713 
+    2100    1.8880098   -3.3875135   -1.4857102   0.21017294    1125.7713 
+    2200    1.9098636   -3.4103342   -1.5286928   0.58806421    1125.7713 
+    2300    1.9069019   -3.4099452    -1.610028   0.63472573    1125.7713 
+    2400    1.9773106   -3.4856993   -1.5268537   0.68904883    1125.7713 
+    2500    2.0027578   -3.5144588   -1.4900205   0.59925475    1125.7713 
+    2600    1.9616631   -3.4744364   -1.5230915   0.26873516    1125.7713 
+    2700    1.8601136    -3.362572    -1.487211   0.68399725    1125.7713 
+    2800    1.8194391   -3.3190986   -1.5148092   0.62533318    1125.7713 
+    2900     1.846505   -3.3451617   -1.5508267   0.60156074    1125.7713 
+    3000    1.8894747   -3.3918215   -1.5180241   0.61210219    1125.7713 
+    3100     1.866832   -3.3665537   -1.5276291   0.54222093    1125.7713 
+    3200    1.8233362    -3.320323   -1.5177672   0.82891257    1125.7713 
+    3300    1.7946952   -3.2899252   -1.4974666   0.56782835    1125.7713 
+    3400    1.8283468   -3.3286169   -1.5065958    1.0370934    1125.7713 
+    3500    1.8538134   -3.3526037   -1.5116661   0.58945341    1125.7713 
+    3600    1.7851382   -3.2811082   -1.5306837     0.462114    1125.7713 
+    3700    1.7664573   -3.2622701   -1.4774432   0.86540402    1125.7713 
+    3800    1.8574677   -3.3592552   -1.5196884   0.45146881    1125.7713 
+    3900    1.9139087   -3.4196718   -1.5054647   0.79636137    1125.7713 
+    4000    1.9081675   -3.4146407   -1.5285325   0.69377107    1125.7713 
+Loop time of 0.379139 on 4 procs for 2000 steps with 400 atoms
+
+Performance: 911539.742 tau/day, 5275.114 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.20177    | 0.23758    | 0.28816    |   7.4 | 62.66
+Neigh   | 0.0015984  | 0.001946   | 0.0022459  |   0.6 |  0.51
+Comm    | 0.046169   | 0.093409   | 0.13456    |  11.9 | 24.64
+Output  | 0.00048614 | 0.00087821 | 0.0016096  |   0.0 |  0.23
+Modify  | 0.02563    | 0.029633   | 0.034698   |   2.0 |  7.82
+Other   |            | 0.01569    |            |       |  4.14
+
+Nlocal:    100 ave 117 max 87 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Nghost:    152.5 ave 169 max 131 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Neighs:    771.25 ave 988 max 612 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+
+Total # of neighbors = 3085
+Ave neighs/atom = 7.7125
+Neighbor list builds = 45
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1 b/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1
new file mode 100644
index 0000000000..be1a711218
--- /dev/null
+++ b/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1
@@ -0,0 +1,189 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# RESquared ellipsoids in LJ background fluid
+
+units	     lj
+atom_style   ellipsoid
+dimension    2
+
+lattice	     sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region	     box block 0 20 0 20 -0.5 0.5
+create_box   2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+  1 by 1 by 1 MPI processor grid
+create_atoms 1 box
+Created 400 atoms
+  Time spent = 0.000540733 secs
+
+set	     group all type/fraction 2 0.1 95392
+  45 settings made for type/fraction
+set 	     type 1 mass 1.0
+  355 settings made for mass
+set 	     type 2 mass 1.5
+  45 settings made for mass
+set 	     type 1 shape 1 1 1
+  355 settings made for shape
+set 	     type 2 shape 3 1 1
+  45 settings made for shape
+set	     group all quat/random 18238
+  400 settings made for quat/random
+
+compute	     rot all temp/asphere
+group	     spheroid type 1
+355 atoms in group spheroid
+variable     dof equal count(spheroid)+2
+compute_modify rot extra/dof ${dof}
+compute_modify rot extra/dof 357
+
+velocity     all create 2.4 87287 loop geom
+
+pair_style   resquared 4.0
+pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5
+pair_coeff   1 2 3.0 1 1 1 1 0 0 0
+pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0
+
+neighbor     0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo	     100
+
+timestep     0.002
+
+compute	     q all property/atom quatw quati quatj quatk
+
+#dump	     1 all custom 100 dump.ellipse.resquared #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
+
+#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
+
+#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
+
+fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
+fix	     2 all enforce2d
+
+compute_modify 1_temp extra/dof ${dof}
+compute_modify 1_temp extra/dof 357
+
+# equilibrate to shrink box around dilute system
+
+run	     2000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.8
+  ghost atom cutoff = 4.8
+  binsize = 2.4, bins = 59 59 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair resquared, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.752 | 4.752 | 4.752 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+       0    2.2718861            0        2.394      0.04788        20000 
+     100    1.7443419            0    1.8381003  0.035765442    20557.278 
+     200    2.2768798            0    2.3992621  0.046544845    20618.928 
+     300    1.8573086            0    1.9571389   0.04239709    18464.842 
+     400    2.1706741 -2.5275641e-05    2.2873225  0.066771565    13701.864 
+     500     2.012561 0.0079467721     2.063898   0.10816504    8501.4958 
+     600    2.1428003  0.083982458    2.2020759    0.3340759    4786.6892 
+     700    2.0449292   0.17309565    2.1718849   0.78086274    2774.9262 
+     800    1.9528849   0.31804014    2.2520272    1.8059473    1826.0933 
+     900    1.6296095   0.24347613    1.8589813    1.7120274    1518.1139 
+    1000    1.9349826   0.13913538    2.1125467    1.3044646    1519.7133 
+    1100    2.1040629   0.11218748    2.2384236    1.0097965    1751.5229 
+    1200    1.7801858  0.051922127    1.8564589   0.54836207    2198.0187 
+    1300    2.3147158  0.049339841     2.390002   0.48871848    2754.4057 
+    1400     1.754921  0.025804182     1.785499   0.28804529    3305.8359 
+    1500    2.3701432  0.070771258    2.4523449   0.42290556    3531.1976 
+    1600    1.7628065  0.054682596     1.830609   0.36138713    3319.2576 
+    1700    2.2969598     0.130209     2.454872   0.73541699    2721.9102 
+    1800    1.8253139   0.23039663    2.0810243    1.2065009    2155.7953 
+    1900     2.017999   0.16257657    2.1664889    1.1654021    1815.9914 
+    2000     1.973946   0.17086654    2.1754835    1.2957284    1669.0751 
+Loop time of 1.62265 on 1 procs for 2000 steps with 400 atoms
+
+Performance: 212984.850 tau/day, 1232.551 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.4048     | 1.4048     | 1.4048     |   0.0 | 86.57
+Neigh   | 0.014643   | 0.014643   | 0.014643   |   0.0 |  0.90
+Comm    | 0.011678   | 0.011678   | 0.011678   |   0.0 |  0.72
+Output  | 0.00046086 | 0.00046086 | 0.00046086 |   0.0 |  0.03
+Modify  | 0.18748    | 0.18748    | 0.18748    |   0.0 | 11.55
+Other   |            | 0.003623   |            |       |  0.22
+
+Nlocal:    400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    213 ave 213 max 213 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1884 ave 1884 max 1884 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1884
+Ave neighs/atom = 4.71
+Neighbor list builds = 177
+Dangerous builds = 144
+
+# run dynamics on dense system
+
+unfix	     1
+fix	     1 all nve/asphere
+
+run	     2000
+Per MPI rank memory allocation (min/avg/max) = 4.754 | 4.754 | 4.754 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+    2000     1.973946   0.17086654    2.1754835    1.2957284    1669.0751 
+    2100    2.0234333   0.11888043     2.165674     1.056689    1669.0751 
+    2200    1.9652317   0.18018588    2.1288332    1.3191509    1669.0751 
+    2300    1.9982484    0.1453846    2.1438911    1.2670661    1669.0751 
+    2400    1.9752559   0.16967804    2.1177286    1.3037679    1669.0751 
+    2500     1.978203   0.16642164    2.1631435    1.2908362    1669.0751 
+    2600    1.9587508   0.18695272    2.1506896    1.3513902    1669.0751 
+    2700    1.9654455   0.17997217    2.1247901    1.3360491    1669.0751 
+    2800    1.9870267   0.15716583    2.1207709    1.2045103    1669.0751 
+    2900     1.923066   0.22448724    2.1353571    1.4964299    1669.0751 
+    3000    2.0042113   0.13903206    2.1149788    1.2100652    1669.0751 
+    3100    1.9543697   0.19149442    2.0984704    1.3409703    1669.0751 
+    3200    1.9991114   0.14441985    2.1292353     1.175647    1669.0751 
+    3300    1.9629782   0.18246606    2.1463675    1.3162684    1669.0751 
+    3400    1.9403528    0.2063029    2.1687044    1.4952816    1669.0751 
+    3500    1.9887416   0.15531264    2.1485278    1.2530419    1669.0751 
+    3600    1.9732723    0.1717156    2.1755741    1.2958545    1669.0751 
+    3700    2.0072829   0.13576753    2.1212377    1.1421359    1669.0751 
+    3800    1.9581273   0.18762532    2.1743415    1.3711091    1669.0751 
+    3900    1.9761639   0.16862987    2.1429576    1.3036491    1669.0751 
+    4000    1.9615823   0.18390729      2.12447    1.4179639    1669.0751 
+Loop time of 2.70201 on 1 procs for 2000 steps with 400 atoms
+
+Performance: 127904.684 tau/day, 740.189 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.563      | 2.563      | 2.563      |   0.0 | 94.85
+Neigh   | 0.0056589  | 0.0056589  | 0.0056589  |   0.0 |  0.21
+Comm    | 0.014635   | 0.014635   | 0.014635   |   0.0 |  0.54
+Output  | 0.00045729 | 0.00045729 | 0.00045729 |   0.0 |  0.02
+Modify  | 0.11246    | 0.11246    | 0.11246    |   0.0 |  4.16
+Other   |            | 0.00584    |            |       |  0.22
+
+Nlocal:    400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    206 ave 206 max 206 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1872 ave 1872 max 1872 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1872
+Ave neighs/atom = 4.68
+Neighbor list builds = 50
+Dangerous builds = 0
+Total wall time: 0:00:04
diff --git a/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4 b/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4
new file mode 100644
index 0000000000..c32aa28653
--- /dev/null
+++ b/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4
@@ -0,0 +1,189 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# RESquared ellipsoids in LJ background fluid
+
+units	     lj
+atom_style   ellipsoid
+dimension    2
+
+lattice	     sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region	     box block 0 20 0 20 -0.5 0.5
+create_box   2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+  2 by 2 by 1 MPI processor grid
+create_atoms 1 box
+Created 400 atoms
+  Time spent = 0.00047946 secs
+
+set	     group all type/fraction 2 0.1 95392
+  45 settings made for type/fraction
+set 	     type 1 mass 1.0
+  355 settings made for mass
+set 	     type 2 mass 1.5
+  45 settings made for mass
+set 	     type 1 shape 1 1 1
+  355 settings made for shape
+set 	     type 2 shape 3 1 1
+  45 settings made for shape
+set	     group all quat/random 18238
+  400 settings made for quat/random
+
+compute	     rot all temp/asphere
+group	     spheroid type 1
+355 atoms in group spheroid
+variable     dof equal count(spheroid)+2
+compute_modify rot extra/dof ${dof}
+compute_modify rot extra/dof 357
+
+velocity     all create 2.4 87287 loop geom
+
+pair_style   resquared 4.0
+pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5
+pair_coeff   1 2 3.0 1 1 1 1 0 0 0
+pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0
+
+neighbor     0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo	     100
+
+timestep     0.002
+
+compute	     q all property/atom quatw quati quatj quatk
+
+#dump	     1 all custom 100 dump.ellipse.resquared #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
+
+#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
+
+#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
+#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
+
+fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
+fix	     2 all enforce2d
+
+compute_modify 1_temp extra/dof ${dof}
+compute_modify 1_temp extra/dof 357
+
+# equilibrate to shrink box around dilute system
+
+run	     2000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.8
+  ghost atom cutoff = 4.8
+  binsize = 2.4, bins = 59 59 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair resquared, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.738 | 4.738 | 4.738 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+       0    2.2718861            0        2.394      0.04788        20000 
+     100    1.7443419            0    1.8381003  0.035765442    20557.278 
+     200    2.2768798            0    2.3992621  0.046544845    20618.928 
+     300    1.8573086            0    1.9571389   0.04239709    18464.842 
+     400    2.1706741 -2.5275641e-05    2.2873225  0.066771565    13701.864 
+     500     2.012561 0.0079467721     2.063898   0.10816504    8501.4958 
+     600    2.1428003  0.083982458    2.2020759    0.3340759    4786.6892 
+     700    2.0449292   0.17309565    2.1718849   0.78086274    2774.9262 
+     800    1.9528849   0.31804014    2.2520272    1.8059473    1826.0933 
+     900    1.6296095   0.24347613    1.8589813    1.7120274    1518.1139 
+    1000    1.9349826   0.13913538    2.1125467    1.3044646    1519.7133 
+    1100    2.1040629   0.11218748    2.2384236    1.0097965    1751.5229 
+    1200    1.7801858  0.051922127    1.8564589   0.54836207    2198.0187 
+    1300    2.3147158  0.049339841     2.390002   0.48871848    2754.4057 
+    1400     1.754921  0.025804182     1.785499   0.28804529    3305.8359 
+    1500    2.3701432  0.070771258    2.4523449   0.42290556    3531.1976 
+    1600    1.7628065  0.054682596     1.830609   0.36138713    3319.2576 
+    1700    2.2969598     0.130209     2.454872   0.73541699    2721.9102 
+    1800    1.8253139   0.23039663    2.0810243    1.2065009    2155.7953 
+    1900     2.017999   0.16257657    2.1664889    1.1654021    1815.9914 
+    2000     1.973946   0.17086654    2.1754835    1.2957284    1669.0751 
+Loop time of 0.513811 on 4 procs for 2000 steps with 400 atoms
+
+Performance: 672620.799 tau/day, 3892.481 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.3553     | 0.36778    | 0.37737    |   1.4 | 71.58
+Neigh   | 0.0039301  | 0.0040173  | 0.004127   |   0.1 |  0.78
+Comm    | 0.056627   | 0.065564   | 0.076112   |   3.0 | 12.76
+Output  | 0.00041318 | 0.00061768 | 0.0012202  |   0.0 |  0.12
+Modify  | 0.070257   | 0.072503   | 0.074547   |   0.6 | 14.11
+Other   |            | 0.003331   |            |       |  0.65
+
+Nlocal:    100 ave 108 max 96 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    123.5 ave 125 max 122 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    471 ave 518 max 433 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 1884
+Ave neighs/atom = 4.71
+Neighbor list builds = 177
+Dangerous builds = 144
+
+# run dynamics on dense system
+
+unfix	     1
+fix	     1 all nve/asphere
+
+run	     2000
+Per MPI rank memory allocation (min/avg/max) = 4.739 | 4.739 | 4.739 Mbytes
+Step c_rot E_pair TotEng Press Volume 
+    2000     1.973946   0.17086654    2.1754835    1.2957284    1669.0751 
+    2100    2.0234333   0.11888043     2.165674     1.056689    1669.0751 
+    2200    1.9652317   0.18018588    2.1288332    1.3191509    1669.0751 
+    2300    1.9982484    0.1453846    2.1438911    1.2670661    1669.0751 
+    2400    1.9752559   0.16967804    2.1177286     1.303768    1669.0751 
+    2500     1.978203   0.16642165    2.1631435    1.2908362    1669.0751 
+    2600    1.9587508   0.18695271    2.1506896    1.3513902    1669.0751 
+    2700    1.9654455   0.17997218    2.1247901    1.3360492    1669.0751 
+    2800    1.9870267   0.15716584    2.1207709    1.2045104    1669.0751 
+    2900    1.9230662   0.22448703    2.1353571    1.4964289    1669.0751 
+    3000    2.0042113   0.13903204    2.1149787     1.210065    1669.0751 
+    3100    1.9543694   0.19149467    2.0984705    1.3409714    1669.0751 
+    3200    1.9991114   0.14441984    2.1292354    1.1756471    1669.0751 
+    3300    1.9629781   0.18246618    2.1463676    1.3162687    1669.0751 
+    3400     1.940353   0.20630269    2.1687038    1.4952819    1669.0751 
+    3500    1.9887413   0.15531296    2.1485274    1.2530446    1669.0751 
+    3600    1.9732704   0.17171758    2.1755757     1.295861    1669.0751 
+    3700    2.0072863   0.13576402    2.1212392    1.1421254    1669.0751 
+    3800    1.9581337   0.18761851    2.1743384    1.3710796    1669.0751 
+    3900    1.9761519   0.16864273     2.142963    1.3037308    1669.0751 
+    4000    1.9615865   0.18390288    2.1244667    1.4179575    1669.0751 
+Loop time of 0.846017 on 4 procs for 2000 steps with 400 atoms
+
+Performance: 408502.313 tau/day, 2364.018 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.63647    | 0.67097    | 0.74711    |   5.4 | 79.31
+Neigh   | 0.0015061  | 0.0015807  | 0.0017054  |   0.2 |  0.19
+Comm    | 0.058258   | 0.1341     | 0.16808    |  12.1 | 15.85
+Output  | 0.00045156 | 0.00077933 | 0.0016997  |   0.0 |  0.09
+Modify  | 0.028721   | 0.029793   | 0.03152    |   0.6 |  3.52
+Other   |            | 0.0088     |            |       |  1.04
+
+Nlocal:    100 ave 106 max 97 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+Nghost:    114 ave 117 max 111 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Neighs:    468 ave 528 max 431 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 1872
+Ave neighs/atom = 4.68
+Neighbor list builds = 50
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.1 b/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.1
deleted file mode 100644
index ad23b08f43..0000000000
--- a/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.1
+++ /dev/null
@@ -1,185 +0,0 @@
-LAMMPS (5 Oct 2016)
-# GayBerne ellipsoids in LJ background fluid
-
-units	     lj
-atom_style   ellipsoid
-dimension    2
-
-lattice	     sq 0.02
-Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
-region	     box block 0 20 0 20 -0.5 0.5
-create_box   2 box
-Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
-  1 by 1 by 1 MPI processor grid
-create_atoms 1 box
-Created 400 atoms
-
-set	     group all type/fraction 2 0.1 95392
-  45 settings made for type/fraction
-set 	     type 1 mass 1.0
-  355 settings made for mass
-set 	     type 2 mass 1.5
-  45 settings made for mass
-set 	     type 1 shape 1 1 1
-  355 settings made for shape
-set 	     type 2 shape 3 1 1
-  45 settings made for shape
-set	     group all quat/random 18238
-  400 settings made for quat/random
-
-compute	     rot all temp/asphere
-group	     spheroid type 1
-355 atoms in group spheroid
-variable     dof equal count(spheroid)+2
-compute_modify rot extra ${dof}
-compute_modify rot extra 357
-
-velocity     all create 2.4 87287 loop geom
-
-pair_style   gayberne 1.0 3.0 1.0 4.0
-pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5
-pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0
-pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0
-
-neighbor     0.8 bin
-
-thermo_style custom step c_rot epair etotal press vol
-thermo	     100
-
-timestep     0.002
-
-compute	     q all property/atom quatw quati quatj quatk
-
-#dump	     1 all custom 100 dump.ellipse.gayberne #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
-
-#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
-
-#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
-
-fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
-fix	     2 all enforce2d
-
-compute_modify 1_temp extra ${dof}
-compute_modify 1_temp extra 357
-
-# equilibrate to shrink box around dilute system
-
-run	     2000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.8
-  ghost atom cutoff = 4.8
-  binsize = 2.4 -> bins = 59 59 3
-Memory usage per processor = 4.17878 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-       0    2.2718861            0        2.394      0.04788        20000 
-     100    1.7443002            0    1.8380563   0.03576216    20558.672 
-     200    2.2770454            0    2.3994366  0.046545139    20620.298 
-     300    1.8573283            0    1.9571597   0.04240689    18460.771 
-     400    2.1709732 -0.00046172705    2.2872012  0.066791266    13689.473 
-     500    1.9712384 -0.014365021    2.0484832   0.12263116    8475.3548 
-     600    2.0811163  -0.21654179    1.8340664   0.22433913    4685.3955 
-     700    2.1578657  -0.68696192    1.3974517   0.60188995    2533.8873 
-     800    1.8843124   -1.6343111    0.2143696     1.105687    1440.5961 
-     900    2.1968489   -3.0749104  -0.92393949    3.2168763    924.62895 
-    1000    1.4196808   -4.3944118    -2.972349    3.1895485    744.95136 
-    1100    1.9354395   -4.9265904   -2.9959864    1.5434922    715.87574 
-    1200    2.1063417   -4.5664569   -2.4467911    1.2012289    760.07454 
-    1300     1.859493   -4.1043918   -2.2530918   0.35847277    846.54577 
-    1400    2.1430322   -3.7414541   -1.6163368    0.7461639    928.96639 
-    1500    1.9056885   -3.5118131   -1.5910333   0.35347839    1021.0387 
-    1600    2.1297675   -3.2577617    -1.119554   0.73265236    1087.6271 
-    1700    1.9341135   -3.2121534   -1.2832848   0.46406018    1140.8473 
-    1800    2.0861201   -3.2382735   -1.1460071    0.6058924    1161.1051 
-    1900    1.9976529   -3.2494581   -1.2698889   0.69257341    1151.4372 
-    2000    1.9791754   -3.3850065   -1.3653244   0.88473341    1121.7026 
-Loop time of 1.01022 on 1 procs for 2000 steps with 400 atoms
-
-Performance: 342102.068 tau/day, 1979.757 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.80465    | 0.80465    | 0.80465    |   0.0 | 79.65
-Neigh   | 0.014326   | 0.014326   | 0.014326   |   0.0 |  1.42
-Comm    | 0.011179   | 0.011179   | 0.011179   |   0.0 |  1.11
-Output  | 0.00032926 | 0.00032926 | 0.00032926 |   0.0 |  0.03
-Modify  | 0.17561    | 0.17561    | 0.17561    |   0.0 | 17.38
-Other   |            | 0.004126   |            |       |  0.41
-
-Nlocal:    400 ave 400 max 400 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    249 ave 249 max 249 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3031 ave 3031 max 3031 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3031
-Ave neighs/atom = 7.5775
-Neighbor list builds = 140
-Dangerous builds = 80
-
-# run dynamics on dense system
-
-unfix	     1
-fix	     1 all nve/asphere
-
-run	     2000
-Memory usage per processor = 4.18892 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-    2000    1.9791754   -3.3850065   -1.3653244   0.88473341    1121.7026 
-    2100    2.0067383   -3.4164295    -1.402453   0.63163512    1121.7026 
-    2200    2.0298976   -3.4415998   -1.4231421   0.91861985    1121.7026 
-    2300    2.0418707   -3.4552616   -1.4277716   0.58834236    1121.7026 
-    2400    2.0126621    -3.424202   -1.3839096   0.80723942    1121.7026 
-    2500    1.9403964   -3.3489489   -1.3995215   0.79492719    1121.7026 
-    2600    2.0459304   -3.4600931   -1.4229608   0.69699402    1121.7026 
-    2700    2.0032293   -3.4126492    -1.429784   0.44210814    1121.7026 
-    2800    1.9367905    -3.345688   -1.4171068    0.6872734    1121.7026 
-    2900    1.9870908   -3.3983385   -1.4218501   0.42402247    1121.7026 
-    3000    1.9654849   -3.3767671   -1.3835149    0.6611643    1121.7026 
-    3100    1.9308462   -3.3343018   -1.3895992   0.45213534    1121.7026 
-    3200    1.8924656   -3.2956948   -1.4157919   0.56524685    1121.7026 
-    3300    1.8802888   -3.2822198   -1.4071878   0.86030365    1121.7026 
-    3400    1.8847013   -3.2852796   -1.4162404   0.91660541    1121.7026 
-    3500    1.9290452   -3.3332356   -1.3889879   0.70770119    1121.7026 
-    3600    1.9223314     -3.32413   -1.3896278   0.56763748    1121.7026 
-    3700    1.9185132   -3.3197222   -1.3913701   0.66889312    1121.7026 
-    3800     1.877321   -3.2796045   -1.4050964   0.67335591    1121.7026 
-    3900    1.9250447   -3.3313033   -1.3872185   0.64573122    1121.7026 
-    4000    1.8574113   -3.2592142   -1.3807543   0.46117918    1121.7026 
-Loop time of 1.13656 on 1 procs for 2000 steps with 400 atoms
-
-Performance: 304074.636 tau/day, 1759.691 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.0076     | 1.0076     | 1.0076     |   0.0 | 88.65
-Neigh   | 0.0065663  | 0.0065663  | 0.0065663  |   0.0 |  0.58
-Comm    | 0.011639   | 0.011639   | 0.011639   |   0.0 |  1.02
-Output  | 0.00035858 | 0.00035858 | 0.00035858 |   0.0 |  0.03
-Modify  | 0.10463    | 0.10463    | 0.10463    |   0.0 |  9.21
-Other   |            | 0.00581    |            |       |  0.51
-
-Nlocal:    400 ave 400 max 400 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    219 ave 219 max 219 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3046 ave 3046 max 3046 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3046
-Ave neighs/atom = 7.615
-Neighbor list builds = 47
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:02
diff --git a/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.4 b/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.4
deleted file mode 100644
index 7217a863d3..0000000000
--- a/examples/ellipse/log.5Oct16.ellipse.gayberne.g++.4
+++ /dev/null
@@ -1,185 +0,0 @@
-LAMMPS (5 Oct 2016)
-# GayBerne ellipsoids in LJ background fluid
-
-units	     lj
-atom_style   ellipsoid
-dimension    2
-
-lattice	     sq 0.02
-Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
-region	     box block 0 20 0 20 -0.5 0.5
-create_box   2 box
-Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
-  2 by 2 by 1 MPI processor grid
-create_atoms 1 box
-Created 400 atoms
-
-set	     group all type/fraction 2 0.1 95392
-  45 settings made for type/fraction
-set 	     type 1 mass 1.0
-  355 settings made for mass
-set 	     type 2 mass 1.5
-  45 settings made for mass
-set 	     type 1 shape 1 1 1
-  355 settings made for shape
-set 	     type 2 shape 3 1 1
-  45 settings made for shape
-set	     group all quat/random 18238
-  400 settings made for quat/random
-
-compute	     rot all temp/asphere
-group	     spheroid type 1
-355 atoms in group spheroid
-variable     dof equal count(spheroid)+2
-compute_modify rot extra ${dof}
-compute_modify rot extra 357
-
-velocity     all create 2.4 87287 loop geom
-
-pair_style   gayberne 1.0 3.0 1.0 4.0
-pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5
-pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0
-pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0
-
-neighbor     0.8 bin
-
-thermo_style custom step c_rot epair etotal press vol
-thermo	     100
-
-timestep     0.002
-
-compute	     q all property/atom quatw quati quatj quatk
-
-#dump	     1 all custom 100 dump.ellipse.gayberne #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
-
-#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
-
-#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
-
-fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
-fix	     2 all enforce2d
-
-compute_modify 1_temp extra ${dof}
-compute_modify 1_temp extra 357
-
-# equilibrate to shrink box around dilute system
-
-run	     2000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.8
-  ghost atom cutoff = 4.8
-  binsize = 2.4 -> bins = 59 59 3
-Memory usage per processor = 4.16784 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-       0    2.2718861            0        2.394      0.04788        20000 
-     100    1.7443002            0    1.8380563   0.03576216    20558.672 
-     200    2.2770454            0    2.3994366  0.046545139    20620.298 
-     300    1.8573283            0    1.9571597   0.04240689    18460.771 
-     400    2.1709732 -0.00046172705    2.2872012  0.066791266    13689.473 
-     500    1.9712384 -0.014365021    2.0484832   0.12263116    8475.3548 
-     600    2.0811163  -0.21654179    1.8340664   0.22433913    4685.3955 
-     700    2.1578657  -0.68696192    1.3974517   0.60188995    2533.8873 
-     800    1.8843124   -1.6343111    0.2143696     1.105687    1440.5961 
-     900    2.1968489   -3.0749104  -0.92393949    3.2168763    924.62895 
-    1000    1.4196808   -4.3944118    -2.972349    3.1895485    744.95136 
-    1100    1.9354395   -4.9265904   -2.9959864    1.5434922    715.87574 
-    1200    2.1063417   -4.5664569   -2.4467911    1.2012289    760.07454 
-    1300     1.859493   -4.1043918   -2.2530918   0.35847277    846.54577 
-    1400    2.1430322   -3.7414541   -1.6163368    0.7461639    928.96639 
-    1500    1.9056885   -3.5118131   -1.5910333   0.35347839    1021.0387 
-    1600    2.1297675   -3.2577617    -1.119554   0.73265236    1087.6271 
-    1700    1.9341135   -3.2121534   -1.2832848   0.46406018    1140.8473 
-    1800    2.0861201   -3.2382735   -1.1460071    0.6058924    1161.1051 
-    1900    1.9976529   -3.2494581   -1.2698889   0.69257341    1151.4372 
-    2000    1.9791754   -3.3850065   -1.3653244   0.88473343    1121.7026 
-Loop time of 0.348825 on 4 procs for 2000 steps with 400 atoms
-
-Performance: 990754.062 tau/day, 5733.530 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.18317    | 0.20567    | 0.22597    |   3.3 | 58.96
-Neigh   | 0.0036285  | 0.0038322  | 0.0039773  |   0.2 |  1.10
-Comm    | 0.043543   | 0.06339    | 0.085499   |   5.9 | 18.17
-Output  | 0.00044894 | 0.00046825 | 0.00051665 |   0.1 |  0.13
-Modify  | 0.069605   | 0.070677   | 0.071795   |   0.3 | 20.26
-Other   |            | 0.004791   |            |       |  1.37
-
-Nlocal:    100 ave 113 max 85 min
-Histogram: 1 0 0 1 0 0 0 1 0 1
-Nghost:    149.75 ave 160 max 141 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-Neighs:    757.75 ave 885 max 592 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-
-Total # of neighbors = 3031
-Ave neighs/atom = 7.5775
-Neighbor list builds = 140
-Dangerous builds = 80
-
-# run dynamics on dense system
-
-unfix	     1
-fix	     1 all nve/asphere
-
-run	     2000
-Memory usage per processor = 4.16867 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-    2000    1.9791754   -3.3850065   -1.3653244   0.88473343    1121.7026 
-    2100    2.0067383   -3.4164295    -1.402453   0.63163513    1121.7026 
-    2200    2.0298976   -3.4415998   -1.4231421   0.91861985    1121.7026 
-    2300    2.0418708   -3.4552617   -1.4277716   0.58834191    1121.7026 
-    2400    2.0126625   -3.4242024   -1.3839097   0.80723766    1121.7026 
-    2500    1.9403968   -3.3489494   -1.3995212   0.79492647    1121.7026 
-    2600    2.0459318   -3.4600945   -1.4229599   0.69698729    1121.7026 
-    2700    2.0032338   -3.4126541   -1.4297892   0.44208354    1121.7026 
-    2800    1.9367789   -3.3456765   -1.4171038    0.6873665    1121.7026 
-    2900    1.9870979   -3.3983434   -1.4218523   0.42398659    1121.7026 
-    3000     1.965491    -3.376773   -1.3835208   0.66112051    1121.7026 
-    3100    1.9307633   -3.3342121   -1.3895745   0.45224657    1121.7026 
-    3200    1.8918453   -3.2949278   -1.4157216   0.56825582    1121.7026 
-    3300    1.8824584   -3.2844031   -1.4066487   0.85795659    1121.7026 
-    3400    1.8871451   -3.2878452   -1.4156691   0.91410213    1121.7026 
-    3500    1.9297625   -3.3340904   -1.3901995    0.6754809    1121.7026 
-    3600    1.8994197   -3.3009141   -1.3964162   0.58676937    1121.7026 
-    3700    1.9181765   -3.3204193   -1.3956433   0.54632736    1121.7026 
-    3800    1.9278078   -3.3300748   -1.3999307   0.48904879    1121.7026 
-    3900     1.888321   -3.2896024   -1.3848249   0.49521159    1121.7026 
-    4000    1.8372182   -3.2347372   -1.4091759   0.61895915    1121.7026 
-Loop time of 0.380732 on 4 procs for 2000 steps with 400 atoms
-
-Performance: 907726.114 tau/day, 5253.045 timesteps/s
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.24119    | 0.25802    | 0.28318    |   3.0 | 67.77
-Neigh   | 0.001538   | 0.0017161  | 0.0018811  |   0.3 |  0.45
-Comm    | 0.055332   | 0.081399   | 0.098741   |   5.6 | 21.38
-Output  | 0.0005157  | 0.00053984 | 0.00058794 |   0.1 |  0.14
-Modify  | 0.026189   | 0.027282   | 0.029091   |   0.7 |  7.17
-Other   |            | 0.01177    |            |       |  3.09
-
-Nlocal:    100 ave 106 max 92 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Nghost:    148 ave 152 max 145 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-Neighs:    760.25 ave 815 max 713 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 3041
-Ave neighs/atom = 7.6025
-Neighbor list builds = 46
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:00
diff --git a/examples/ellipse/log.5Oct16.ellipse.resquared.g++.1 b/examples/ellipse/log.5Oct16.ellipse.resquared.g++.1
deleted file mode 100644
index 51028b326e..0000000000
--- a/examples/ellipse/log.5Oct16.ellipse.resquared.g++.1
+++ /dev/null
@@ -1,182 +0,0 @@
-LAMMPS (5 Oct 2016)
-# RESquared ellipsoids in LJ background fluid
-
-units	     lj
-atom_style   ellipsoid
-dimension    2
-
-lattice	     sq 0.02
-Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
-region	     box block 0 20 0 20 -0.5 0.5
-create_box   2 box
-Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
-  1 by 1 by 1 MPI processor grid
-create_atoms 1 box
-Created 400 atoms
-
-set	     group all type/fraction 2 0.1 95392
-  45 settings made for type/fraction
-set 	     type 1 mass 1.0
-  355 settings made for mass
-set 	     type 2 mass 1.5
-  45 settings made for mass
-set 	     type 1 shape 1 1 1
-  355 settings made for shape
-set 	     type 2 shape 3 1 1
-  45 settings made for shape
-set	     group all quat/random 18238
-  400 settings made for quat/random
-
-compute	     rot all temp/asphere
-group	     spheroid type 1
-355 atoms in group spheroid
-variable     dof equal count(spheroid)+2
-compute_modify rot extra ${dof}
-compute_modify rot extra 357
-
-velocity     all create 2.4 87287 loop geom
-
-pair_style   resquared 4.0
-pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5
-pair_coeff   1 2 3.0 1 1 1 1 0 0 0
-pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0
-
-neighbor     0.8 bin
-
-thermo_style custom step c_rot epair etotal press vol
-thermo	     100
-
-timestep     0.002
-
-compute	     q all property/atom quatw quati quatj quatk
-
-#dump	     1 all custom 100 dump.ellipse.resquared #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
-
-#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
-
-#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
-
-fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
-fix	     2 all enforce2d
-
-compute_modify 1_temp extra ${dof}
-compute_modify 1_temp extra 357
-
-# equilibrate to shrink box around dilute system
-
-run	     2000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.8
-  ghost atom cutoff = 4.8
-  binsize = 2.4 -> bins = 59 59 3
-Memory usage per processor = 4.17878 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-       0    2.2718861            0        2.394      0.04788        20000 
-     100    1.7443002            0    1.8380563   0.03576216    20558.672 
-     200    2.2770454            0    2.3994366  0.046545139    20620.298 
-     300    1.8573283            0    1.9571597   0.04240689    18460.771 
-     400    2.1708593 -2.5387568e-05    2.2875176  0.066837565    13689.499 
-     500     2.012121 0.0083622744    2.0637959   0.10893231    8486.4241 
-     600    2.1416108   0.08602656    2.2040317   0.34087235    4775.2723 
-     700    2.0419962   0.17405962    2.1702488   0.78836378    2768.5757 
-     800    1.9520613   0.31921669    2.2528751     1.813059    1823.5943 
-     900    1.6291778    0.2415422    1.8569794    1.7008233    1518.2585 
-    1000    1.9412761   0.13859576    2.1184352    1.3019342    1521.7058 
-    1100    2.1016581   0.10912963    2.2356017   0.99454361    1756.0608 
-    1200    1.7849978  0.049963029    1.8591867   0.54025938     2204.358 
-    1300    2.3125867  0.046557089    2.3849986   0.47599584    2761.2014 
-    1400     1.757077  0.026326047    1.7889269   0.28604209    3309.8144 
-    1500     2.392565  0.048563131    2.4533846   0.37917665    3530.6855 
-    1600    1.7590832  0.050490264    1.8168201   0.33612171    3313.4472 
-    1700     2.252414   0.17372984    2.4394491   0.85851343    2716.0401 
-    1800    1.7966767   0.28338104    2.0779465    1.4326114    2152.4099 
-    1900    1.9682759    0.2168566    2.1183362    1.3383729    1806.7221 
-    2000    1.9694503   0.17559901      2.14777    1.3281701    1654.9587 
-Loop time of 1.69003 on 1 procs for 2000 steps with 400 atoms
-
-Performance: 204492.823 tau/day, 1183.408 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.4827     | 1.4827     | 1.4827     |   0.0 | 87.73
-Neigh   | 0.014216   | 0.014216   | 0.014216   |   0.0 |  0.84
-Comm    | 0.0084538  | 0.0084538  | 0.0084538  |   0.0 |  0.50
-Output  | 0.0003345  | 0.0003345  | 0.0003345  |   0.0 |  0.02
-Modify  | 0.18062    | 0.18062    | 0.18062    |   0.0 | 10.69
-Other   |            | 0.003745   |            |       |  0.22
-
-Nlocal:    400 ave 400 max 400 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    216 ave 216 max 216 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1929 ave 1929 max 1929 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1929
-Ave neighs/atom = 4.8225
-Neighbor list builds = 177
-Dangerous builds = 146
-
-# run dynamics on dense system
-
-unfix	     1
-fix	     1 all nve/asphere
-
-run	     2000
-Memory usage per processor = 4.18079 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-    2000    1.9694503   0.17559901      2.14777    1.3281701    1654.9587 
-    2100     1.978918   0.16562152    2.1632874    1.3092233    1654.9587 
-    2200    1.9820406   0.16230289    2.1750657    1.2612976    1654.9587 
-    2300    1.9577019   0.18791066    2.1531422    1.3478385    1654.9587 
-    2400    2.0271146   0.11480565    2.1721336    1.0619428    1654.9587 
-    2500    1.9894838    0.1544598    2.1329407    1.2325572    1654.9587 
-    2600     1.998697   0.14468753    2.1485209    1.1903357    1654.9587 
-    2700    1.9608664   0.18459944    2.1483889    1.3461095    1654.9587 
-    2800     2.005755   0.13729992    2.1214078    1.1596182    1654.9587 
-    2900    1.9080687   0.24019772    2.1661723    1.5974752    1654.9587 
-    3000    1.9606374   0.18480425    2.1301691    1.3280548    1654.9587 
-    3100    1.9824235   0.16187644    2.1284432    1.2590072    1654.9587 
-    3200    1.9389485   0.20774117     2.106322    1.4587341    1654.9587 
-    3300    1.9849309   0.15929459    2.1301897    1.2415172    1654.9587 
-    3400    1.9596863   0.18578944    2.1215072    1.3738214    1654.9587 
-    3500    1.9671171   0.17804546    2.0934254    1.3147204    1654.9587 
-    3600    1.9702641   0.17471582    2.1569255    1.3331099    1654.9587 
-    3700    1.9103961   0.23792935    2.1305401    1.5832203    1654.9587 
-    3800    1.9129619   0.23512654    2.1445946    1.5657403    1654.9587 
-    3900    1.9868018   0.15725404    2.1658135    1.2582197    1654.9587 
-    4000    2.0058784   0.13726837    2.1534352    1.1351359    1654.9587 
-Loop time of 2.86686 on 1 procs for 2000 steps with 400 atoms
-
-Performance: 120550.133 tau/day, 697.628 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.7349     | 2.7349     | 2.7349     |   0.0 | 95.40
-Neigh   | 0.0052247  | 0.0052247  | 0.0052247  |   0.0 |  0.18
-Comm    | 0.011207   | 0.011207   | 0.011207   |   0.0 |  0.39
-Output  | 0.00036931 | 0.00036931 | 0.00036931 |   0.0 |  0.01
-Modify  | 0.10925    | 0.10925    | 0.10925    |   0.0 |  3.81
-Other   |            | 0.005949   |            |       |  0.21
-
-Nlocal:    400 ave 400 max 400 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    204 ave 204 max 204 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1857 ave 1857 max 1857 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1857
-Ave neighs/atom = 4.6425
-Neighbor list builds = 48
-Dangerous builds = 0
-Total wall time: 0:00:04
diff --git a/examples/ellipse/log.5Oct16.ellipse.resquared.g++.4 b/examples/ellipse/log.5Oct16.ellipse.resquared.g++.4
deleted file mode 100644
index fa93b41fa3..0000000000
--- a/examples/ellipse/log.5Oct16.ellipse.resquared.g++.4
+++ /dev/null
@@ -1,182 +0,0 @@
-LAMMPS (5 Oct 2016)
-# RESquared ellipsoids in LJ background fluid
-
-units	     lj
-atom_style   ellipsoid
-dimension    2
-
-lattice	     sq 0.02
-Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
-region	     box block 0 20 0 20 -0.5 0.5
-create_box   2 box
-Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
-  2 by 2 by 1 MPI processor grid
-create_atoms 1 box
-Created 400 atoms
-
-set	     group all type/fraction 2 0.1 95392
-  45 settings made for type/fraction
-set 	     type 1 mass 1.0
-  355 settings made for mass
-set 	     type 2 mass 1.5
-  45 settings made for mass
-set 	     type 1 shape 1 1 1
-  355 settings made for shape
-set 	     type 2 shape 3 1 1
-  45 settings made for shape
-set	     group all quat/random 18238
-  400 settings made for quat/random
-
-compute	     rot all temp/asphere
-group	     spheroid type 1
-355 atoms in group spheroid
-variable     dof equal count(spheroid)+2
-compute_modify rot extra ${dof}
-compute_modify rot extra 357
-
-velocity     all create 2.4 87287 loop geom
-
-pair_style   resquared 4.0
-pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5
-pair_coeff   1 2 3.0 1 1 1 1 0 0 0
-pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0
-
-neighbor     0.8 bin
-
-thermo_style custom step c_rot epair etotal press vol
-thermo	     100
-
-timestep     0.002
-
-compute	     q all property/atom quatw quati quatj quatk
-
-#dump	     1 all custom 100 dump.ellipse.resquared #	     id type x y z c_q[1] c_q[2] c_q[3] c_q[4]
-
-#dump	     2 all image 100 image.*.jpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  2 pad 4 adiam 1 1.0 adiam 2 2.0
-
-#dump	     3 all movie 100 movie.mpg type type #	     zoom 1.6 center d 0.5 0.5 0.5
-#dump_modify  3 pad 4 adiam 1 1.0 adiam 2 2.0
-
-fix	     1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 	       mtk no pchain 0 tchain 1
-fix	     2 all enforce2d
-
-compute_modify 1_temp extra ${dof}
-compute_modify 1_temp extra 357
-
-# equilibrate to shrink box around dilute system
-
-run	     2000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.8
-  ghost atom cutoff = 4.8
-  binsize = 2.4 -> bins = 59 59 3
-Memory usage per processor = 4.16784 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-       0    2.2718861            0        2.394      0.04788        20000 
-     100    1.7443002            0    1.8380563   0.03576216    20558.672 
-     200    2.2770454            0    2.3994366  0.046545139    20620.298 
-     300    1.8573283            0    1.9571597   0.04240689    18460.771 
-     400    2.1708593 -2.5387568e-05    2.2875176  0.066837565    13689.499 
-     500     2.012121 0.0083622744    2.0637959   0.10893231    8486.4241 
-     600    2.1416108   0.08602656    2.2040317   0.34087235    4775.2723 
-     700    2.0419962   0.17405962    2.1702488   0.78836378    2768.5757 
-     800    1.9520613   0.31921669    2.2528751     1.813059    1823.5943 
-     900    1.6291778    0.2415422    1.8569794    1.7008233    1518.2585 
-    1000    1.9412761   0.13859576    2.1184352    1.3019342    1521.7058 
-    1100    2.1016581   0.10912963    2.2356017   0.99454361    1756.0608 
-    1200    1.7849978  0.049963029    1.8591867   0.54025938     2204.358 
-    1300    2.3125867  0.046557089    2.3849986   0.47599584    2761.2014 
-    1400     1.757077  0.026326047    1.7889269   0.28604209    3309.8144 
-    1500     2.392565  0.048563131    2.4533846   0.37917665    3530.6855 
-    1600    1.7590832  0.050490264    1.8168201   0.33612171    3313.4472 
-    1700     2.252414   0.17372984    2.4394491   0.85851343    2716.0401 
-    1800    1.7966767   0.28338104    2.0779465    1.4326114    2152.4099 
-    1900    1.9682759    0.2168566    2.1183362    1.3383729    1806.7221 
-    2000    1.9694503   0.17559901      2.14777    1.3281701    1654.9587 
-Loop time of 0.529177 on 4 procs for 2000 steps with 400 atoms
-
-Performance: 653089.670 tau/day, 3779.454 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.36797    | 0.3809     | 0.38796    |   1.2 | 71.98
-Neigh   | 0.0037003  | 0.0038002  | 0.0038807  |   0.1 |  0.72
-Comm    | 0.057266   | 0.063631   | 0.076821   |   3.1 | 12.02
-Output  | 0.00050998 | 0.00052881 | 0.00056648 |   0.1 |  0.10
-Modify  | 0.075577   | 0.076514   | 0.078309   |   0.4 | 14.46
-Other   |            | 0.0038     |            |       |  0.72
-
-Nlocal:    100 ave 108 max 95 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
-Nghost:    125.75 ave 128 max 123 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    482.25 ave 535 max 442 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 1929
-Ave neighs/atom = 4.8225
-Neighbor list builds = 177
-Dangerous builds = 146
-
-# run dynamics on dense system
-
-unfix	     1
-fix	     1 all nve/asphere
-
-run	     2000
-Memory usage per processor = 4.16867 Mbytes
-Step c_rot E_pair TotEng Press Volume 
-    2000    1.9694503   0.17559901      2.14777    1.3281701    1654.9587 
-    2100     1.978918   0.16562152    2.1632874    1.3092233    1654.9587 
-    2200    1.9820406   0.16230289    2.1750657    1.2612976    1654.9587 
-    2300    1.9577019   0.18791066    2.1531422    1.3478385    1654.9587 
-    2400    2.0271146   0.11480565    2.1721336    1.0619428    1654.9587 
-    2500    1.9894838    0.1544598    2.1329407    1.2325572    1654.9587 
-    2600     1.998697   0.14468753    2.1485209    1.1903357    1654.9587 
-    2700    1.9608664   0.18459944    2.1483889    1.3461096    1654.9587 
-    2800     2.005755   0.13729992    2.1214078    1.1596183    1654.9587 
-    2900    1.9080687   0.24019772    2.1661723    1.5974752    1654.9587 
-    3000    1.9606373   0.18480426    2.1301691    1.3280548    1654.9587 
-    3100    1.9824235   0.16187647    2.1284433    1.2590074    1654.9587 
-    3200    1.9389485   0.20774113    2.1063219    1.4587339    1654.9587 
-    3300     1.984931   0.15929453    2.1301897    1.2415169    1654.9587 
-    3400    1.9596864   0.18578934    2.1215072    1.3738204    1654.9587 
-    3500    1.9671165   0.17804604    2.0934256    1.3147236    1654.9587 
-    3600    1.9702644   0.17471548     2.156925    1.3331072    1654.9587 
-    3700    1.9104013    0.2379238    2.1305421    1.5831938    1654.9587 
-    3800    1.9129623   0.23512612    2.1445951     1.565741    1654.9587 
-    3900    1.9868116   0.15724371    2.1658058    1.2581725    1654.9587 
-    4000    2.0058633   0.13728433    2.1534403    1.1352037    1654.9587 
-Loop time of 0.822603 on 4 procs for 2000 steps with 400 atoms
-
-Performance: 420129.522 tau/day, 2431.305 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.67029    | 0.69125    | 0.73659    |   3.2 | 84.03
-Neigh   | 0.0013115  | 0.0014372  | 0.0016122  |   0.3 |  0.17
-Comm    | 0.046684   | 0.092118   | 0.1133     |   9.0 | 11.20
-Output  | 0.00053906 | 0.00055629 | 0.00059342 |   0.1 |  0.07
-Modify  | 0.026623   | 0.027991   | 0.029785   |   0.8 |  3.40
-Other   |            | 0.009251   |            |       |  1.12
-
-Nlocal:    100 ave 103 max 96 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Nghost:    118 ave 122 max 115 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
-Neighs:    464.25 ave 489 max 449 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-
-Total # of neighbors = 1857
-Ave neighs/atom = 4.6425
-Neighbor list builds = 48
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/flow/log.5Oct16.flow.couette.g++.1 b/examples/flow/log.27Nov18.flow.couette.g++.1
similarity index 80%
rename from examples/flow/log.5Oct16.flow.couette.g++.1
rename to examples/flow/log.27Nov18.flow.couette.g++.1
index a9d3a9929f..9045771f7c 100644
--- a/examples/flow/log.5Oct16.flow.couette.g++.1
+++ b/examples/flow/log.27Nov18.flow.couette.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2-d LJ flow simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.000395536 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -75,7 +77,7 @@ fix	     4 all enforce2d
 timestep	0.003
 thermo		500
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.flow
 
@@ -87,13 +89,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 37 32 1
-Memory usage per processor = 2.47395 Mbytes
+  binsize = 0.71123, bins = 37 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.047 | 3.047 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1            0            0   0.71190476   0.52314537    571.54286 
      500    1.0644427  -0.31382888            0   0.44395296    3.0013076    571.54286 
@@ -116,20 +123,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     9000            1    -0.402333            0   0.30957177    2.4852035    571.54286 
     9500   0.99889786  -0.46870263            0   0.24241751    2.3763314    571.54286 
    10000            1  -0.43338695            0   0.27851782     2.405424    571.54286 
-Loop time of 0.281614 on 1 procs for 10000 steps with 420 atoms
+Loop time of 0.293461 on 1 procs for 10000 steps with 420 atoms
 
-Performance: 9204085.735 tau/day, 35509.590 timesteps/s
-100.1% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 8832531.296 tau/day, 34076.124 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.12437    | 0.12437    | 0.12437    |   0.0 | 44.16
-Neigh   | 0.062146   | 0.062146   | 0.062146   |   0.0 | 22.07
-Comm    | 0.0076008  | 0.0076008  | 0.0076008  |   0.0 |  2.70
-Output  | 0.00014687 | 0.00014687 | 0.00014687 |   0.0 |  0.05
-Modify  | 0.067444   | 0.067444   | 0.067444   |   0.0 | 23.95
-Other   |            | 0.01991    |            |       |  7.07
+Pair    | 0.11085    | 0.11085    | 0.11085    |   0.0 | 37.77
+Neigh   | 0.059952   | 0.059952   | 0.059952   |   0.0 | 20.43
+Comm    | 0.010563   | 0.010563   | 0.010563   |   0.0 |  3.60
+Output  | 0.00021076 | 0.00021076 | 0.00021076 |   0.0 |  0.07
+Modify  | 0.089026   | 0.089026   | 0.089026   |   0.0 | 30.34
+Other   |            | 0.02286    |            |       |  7.79
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/flow/log.5Oct16.flow.couette.g++.4 b/examples/flow/log.27Nov18.flow.couette.g++.4
similarity index 80%
rename from examples/flow/log.5Oct16.flow.couette.g++.4
rename to examples/flow/log.27Nov18.flow.couette.g++.4
index 84bd03560d..01f1e81d46 100644
--- a/examples/flow/log.5Oct16.flow.couette.g++.4
+++ b/examples/flow/log.27Nov18.flow.couette.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2-d LJ flow simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.00031352 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -75,7 +77,7 @@ fix	     4 all enforce2d
 timestep	0.003
 thermo		500
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.flow
 
@@ -87,13 +89,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 37 32 1
-Memory usage per processor = 2.47768 Mbytes
+  binsize = 0.71123, bins = 37 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.048 | 3.048 | 3.048 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1            0            0   0.71190476   0.52314537    571.54286 
      500    1.0951876  -0.33403931            0   0.44562996    3.2502319    571.54286 
@@ -116,20 +123,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     9000            1  -0.45171969            0   0.26018507    2.5525861    571.54286 
     9500    1.0322994  -0.40989898            0   0.32499991    2.6021234    571.54286 
    10000            1  -0.42489516            0   0.28700961     2.619505    571.54286 
-Loop time of 0.134939 on 4 procs for 10000 steps with 420 atoms
+Loop time of 0.172876 on 4 procs for 10000 steps with 420 atoms
 
-Performance: 19208643.416 tau/day, 74107.421 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 14993379.796 tau/day, 57844.829 timesteps/s
+95.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.024453   | 0.030829   | 0.036954   |   3.5 | 22.85
-Neigh   | 0.0152     | 0.016832   | 0.018415   |   1.2 | 12.47
-Comm    | 0.040894   | 0.049385   | 0.058308   |   3.7 | 36.60
-Output  | 0.00027037 | 0.00029039 | 0.0003438  |   0.2 |  0.22
-Modify  | 0.017885   | 0.018734   | 0.019774   |   0.6 | 13.88
-Other   |            | 0.01887    |            |       | 13.98
+Pair    | 0.024842   | 0.030136   | 0.036735   |   3.1 | 17.43
+Neigh   | 0.014276   | 0.015892   | 0.017287   |   1.1 |  9.19
+Comm    | 0.065952   | 0.075937   | 0.084912   |   3.2 | 43.93
+Output  | 0.00034285 | 0.00042874 | 0.00067973 |   0.0 |  0.25
+Modify  | 0.024682   | 0.026202   | 0.028216   |   1.0 | 15.16
+Other   |            | 0.02428    |            |       | 14.05
 
 Nlocal:    105 ave 113 max 97 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
diff --git a/examples/flow/log.5Oct16.flow.pois.g++.1 b/examples/flow/log.27Nov18.flow.pois.g++.1
similarity index 80%
rename from examples/flow/log.5Oct16.flow.pois.g++.1
rename to examples/flow/log.27Nov18.flow.pois.g++.1
index 8a8748f984..45eed1d841 100644
--- a/examples/flow/log.5Oct16.flow.pois.g++.1
+++ b/examples/flow/log.27Nov18.flow.pois.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2-d LJ flow simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.000394583 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -75,7 +77,7 @@ fix	     7 all enforce2d
 timestep	0.003
 thermo		500
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.flow
 
@@ -87,13 +89,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 37 32 1
-Memory usage per processor = 2.47395 Mbytes
+  binsize = 0.71123, bins = 37 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.047 | 3.047 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1            0            0   0.71190476   0.52314537    571.54286 
      500    1.0990751  -0.36396768            0   0.41846911     2.522517    575.55806 
@@ -116,20 +123,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     9000            1  -0.74461165            0 -0.032706889     2.574656    498.14523 
     9500    1.2047533  -0.75768848            0   0.09998113    2.4174997     501.8877 
    10000            1  -0.67361996            0  0.038284798    2.2310948    507.57444 
-Loop time of 0.313724 on 1 procs for 10000 steps with 420 atoms
+Loop time of 0.353337 on 1 procs for 10000 steps with 420 atoms
 
-Performance: 8262038.165 tau/day, 31875.147 timesteps/s
-100.1% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 7335771.903 tau/day, 28301.589 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.13662    | 0.13662    | 0.13662    |   0.0 | 43.55
-Neigh   | 0.034956   | 0.034956   | 0.034956   |   0.0 | 11.14
-Comm    | 0.0064242  | 0.0064242  | 0.0064242  |   0.0 |  2.05
-Output  | 0.00014639 | 0.00014639 | 0.00014639 |   0.0 |  0.05
-Modify  | 0.11616    | 0.11616    | 0.11616    |   0.0 | 37.03
-Other   |            | 0.01941    |            |       |  6.19
+Pair    | 0.12053    | 0.12053    | 0.12053    |   0.0 | 34.11
+Neigh   | 0.033673   | 0.033673   | 0.033673   |   0.0 |  9.53
+Comm    | 0.00895    | 0.00895    | 0.00895    |   0.0 |  2.53
+Output  | 0.00023317 | 0.00023317 | 0.00023317 |   0.0 |  0.07
+Modify  | 0.16577    | 0.16577    | 0.16577    |   0.0 | 46.92
+Other   |            | 0.02418    |            |       |  6.84
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/flow/log.5Oct16.flow.pois.g++.4 b/examples/flow/log.27Nov18.flow.pois.g++.4
similarity index 80%
rename from examples/flow/log.5Oct16.flow.pois.g++.4
rename to examples/flow/log.27Nov18.flow.pois.g++.4
index 20c3293b82..6e0c58614a 100644
--- a/examples/flow/log.5Oct16.flow.pois.g++.4
+++ b/examples/flow/log.27Nov18.flow.pois.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2-d LJ flow simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.00031805 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -75,7 +77,7 @@ fix	     7 all enforce2d
 timestep	0.003
 thermo		500
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.flow
 
@@ -87,13 +89,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		10000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 37 32 1
-Memory usage per processor = 2.47768 Mbytes
+  binsize = 0.71123, bins = 37 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.048 | 3.048 | 3.048 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            1            0            0   0.71190476   0.52314537    571.54286 
      500    1.0758737  -0.36090417            0   0.40501541    2.7822308     575.0659 
@@ -116,20 +123,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     9000            1   -0.8200207            0  -0.10811593    2.6210027    502.60511 
     9500    1.2167146  -0.77385956            0  0.092325373    2.5938179    500.86068 
    10000            1  -0.73082779            0 -0.018923029     2.735112    505.69856 
-Loop time of 0.225282 on 4 procs for 10000 steps with 420 atoms
+Loop time of 0.208663 on 4 procs for 10000 steps with 420 atoms
 
-Performance: 11505578.988 tau/day, 44388.808 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 12421919.467 tau/day, 47924.072 timesteps/s
+95.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.032012   | 0.033154   | 0.035252   |   0.7 | 14.72
-Neigh   | 0.0094411  | 0.0097138  | 0.010069   |   0.2 |  4.31
-Comm    | 0.080785   | 0.085431   | 0.088782   |   1.0 | 37.92
-Output  | 0.0003736  | 0.00039834 | 0.00046349 |   0.2 |  0.18
-Modify  | 0.062812   | 0.064686   | 0.066481   |   0.6 | 28.71
-Other   |            | 0.0319     |            |       | 14.16
+Pair    | 0.031368   | 0.032216   | 0.033688   |   0.5 | 15.44
+Neigh   | 0.0093348  | 0.0097306  | 0.010144   |   0.3 |  4.66
+Comm    | 0.059824   | 0.065823   | 0.07057    |   1.8 | 31.55
+Output  | 0.00033283 | 0.00043827 | 0.00073981 |   0.0 |  0.21
+Modify  | 0.067317   | 0.071492   | 0.075636   |   1.3 | 34.26
+Other   |            | 0.02896    |            |       | 13.88
 
 Nlocal:    105 ave 106 max 103 min
 Histogram: 1 0 0 0 0 0 1 0 0 2

From 48a408bb19c61607ae50a51996db5b11cf075375 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 18:42:48 -0500
Subject: [PATCH 215/273] update log files for friction example

---
 ...ction.g++.1 => log.27Nov18.friction.g++.1} | 38 ++++++++++++-------
 ...ction.g++.4 => log.27Nov18.friction.g++.4} | 38 ++++++++++++-------
 2 files changed, 48 insertions(+), 28 deletions(-)
 rename examples/friction/{log.5Oct16.friction.g++.1 => log.27Nov18.friction.g++.1} (81%)
 rename examples/friction/{log.5Oct16.friction.g++.4 => log.27Nov18.friction.g++.4} (81%)

diff --git a/examples/friction/log.5Oct16.friction.g++.1 b/examples/friction/log.27Nov18.friction.g++.1
similarity index 81%
rename from examples/friction/log.5Oct16.friction.g++.1
rename to examples/friction/log.27Nov18.friction.g++.1
index 27c3d34dcc..6e7422b4f8 100644
--- a/examples/friction/log.5Oct16.friction.g++.1
+++ b/examples/friction/log.27Nov18.friction.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d friction simulation
 
 dimension	2
@@ -39,12 +40,16 @@ region		hi-half-sphere intersect 2 hi-asperity below-hi
 
 create_atoms	1 region lo-slab
 Created 750 atoms
+  Time spent = 0.000692606 secs
 create_atoms	1 region hi-slab
 Created 750 atoms
+  Time spent = 0.000464201 secs
 create_atoms	2 region lo-half-sphere
 Created 112 atoms
+  Time spent = 0.000610352 secs
 create_atoms	3 region hi-half-sphere
 Created 112 atoms
+  Time spent = 0.000571966 secs
 
 # LJ potentials
 
@@ -94,7 +99,7 @@ fix             4 all enforce2d
 timestep	0.0025
 thermo		1000
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.friction
 
@@ -106,13 +111,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		20000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 41 31 1
-Memory usage per processor = 2.47434 Mbytes
+  binsize = 1.4, bins = 41 31 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.058 | 3.058 | 3.058 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          0.1   -3.1333672            0   -3.0920969   -1.1437663    2444.9333 
     1000          0.1   -3.0915072            0   -3.0502369 0.0099866805    2444.9333 
@@ -135,20 +145,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    18000   0.11159326   -3.0416392            0   -2.9955843  -0.22725121    2444.9333 
    19000   0.11530974   -3.0457005            0   -2.9981118  -0.36488457    2444.9333 
    20000    0.1131733   -3.0417814            0   -2.9950744  -0.27902539    2444.9333 
-Loop time of 5.78572 on 1 procs for 20000 steps with 1724 atoms
+Loop time of 5.95046 on 1 procs for 20000 steps with 1724 atoms
 
-Performance: 746665.546 tau/day, 3456.785 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 725993.862 tau/day, 3361.083 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 4.7167     | 4.7167     | 4.7167     |   0.0 | 81.52
-Neigh   | 0.30734    | 0.30734    | 0.30734    |   0.0 |  5.31
-Comm    | 0.036082   | 0.036082   | 0.036082   |   0.0 |  0.62
-Output  | 0.00039339 | 0.00039339 | 0.00039339 |   0.0 |  0.01
-Modify  | 0.57194    | 0.57194    | 0.57194    |   0.0 |  9.89
-Other   |            | 0.1533     |            |       |  2.65
+Pair    | 4.7314     | 4.7314     | 4.7314     |   0.0 | 79.51
+Neigh   | 0.3022     | 0.3022     | 0.3022     |   0.0 |  5.08
+Comm    | 0.046376   | 0.046376   | 0.046376   |   0.0 |  0.78
+Output  | 0.00047255 | 0.00047255 | 0.00047255 |   0.0 |  0.01
+Modify  | 0.69477    | 0.69477    | 0.69477    |   0.0 | 11.68
+Other   |            | 0.1752     |            |       |  2.94
 
 Nlocal:    1724 ave 1724 max 1724 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/friction/log.5Oct16.friction.g++.4 b/examples/friction/log.27Nov18.friction.g++.4
similarity index 81%
rename from examples/friction/log.5Oct16.friction.g++.4
rename to examples/friction/log.27Nov18.friction.g++.4
index 7dbecb1bc7..1ac945bb8a 100644
--- a/examples/friction/log.5Oct16.friction.g++.4
+++ b/examples/friction/log.27Nov18.friction.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d friction simulation
 
 dimension	2
@@ -39,12 +40,16 @@ region		hi-half-sphere intersect 2 hi-asperity below-hi
 
 create_atoms	1 region lo-slab
 Created 750 atoms
+  Time spent = 0.000427008 secs
 create_atoms	1 region hi-slab
 Created 750 atoms
+  Time spent = 0.000396729 secs
 create_atoms	2 region lo-half-sphere
 Created 112 atoms
+  Time spent = 0.000207663 secs
 create_atoms	3 region hi-half-sphere
 Created 112 atoms
+  Time spent = 0.000194788 secs
 
 # LJ potentials
 
@@ -94,7 +99,7 @@ fix             4 all enforce2d
 timestep	0.0025
 thermo		1000
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 500 dump.friction
 
@@ -106,13 +111,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		20000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 41 31 1
-Memory usage per processor = 2.47775 Mbytes
+  binsize = 1.4, bins = 41 31 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.051 | 3.051 | 3.052 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          0.1   -3.1333672            0   -3.0920969   -1.1437663    2444.9333 
     1000  0.081947197   -3.0926906            0   -3.0588707 -0.021905504    2444.9333 
@@ -135,20 +145,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    18000   0.11086121   -3.0462098            0   -3.0004571  -0.19272619    2444.9333 
    19000   0.11407977    -3.046791            0     -2.99971  -0.29824356    2444.9333 
    20000   0.11532037   -3.0463959            0   -2.9988028   -0.3435294    2444.9333 
-Loop time of 1.90668 on 4 procs for 20000 steps with 1724 atoms
+Loop time of 1.98982 on 4 procs for 20000 steps with 1724 atoms
 
-Performance: 2265719.994 tau/day, 10489.444 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2171051.815 tau/day, 10051.166 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.0349     | 1.1944     | 1.3574     |  10.5 | 62.64
-Neigh   | 0.070767   | 0.082252   | 0.094675   |   3.0 |  4.31
-Comm    | 0.19432    | 0.3776     | 0.54764    |  20.4 | 19.80
-Output  | 0.00043559 | 0.00045842 | 0.00052333 |   0.2 |  0.02
-Modify  | 0.12252    | 0.14002    | 0.15438    |   3.1 |  7.34
-Other   |            | 0.112      |            |       |  5.87
+Pair    | 1.0746     | 1.214      | 1.3479     |   8.9 | 61.01
+Neigh   | 0.073977   | 0.083197   | 0.096277   |   2.9 |  4.18
+Comm    | 0.22466    | 0.37933    | 0.52711    |  17.6 | 19.06
+Output  | 0.00045776 | 0.00078875 | 0.0017807  |   0.0 |  0.04
+Modify  | 0.16952    | 0.18621    | 0.20218    |   2.8 |  9.36
+Other   |            | 0.1263     |            |       |  6.35
 
 Nlocal:    431 ave 479 max 377 min
 Histogram: 1 1 0 0 0 0 0 0 0 2

From 9646d4614f59a253887ed770776af607ab502aeb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 18:45:32 -0500
Subject: [PATCH 216/273] plug small memory leak in fix gcmc

---
 src/MC/fix_gcmc.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index b40ce6a1b3..ebfb17390d 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -406,6 +406,8 @@ FixGCMC::~FixGCMC()
 
   memory->destroy(local_gas_list);
   memory->destroy(molcoords);
+  memory->destroy(molq);
+  memory->destroy(molimage);
 
   delete [] idrigid;
   delete [] idshake;

From 3508eca33768bb715b5d6b24f3cb49ffe4033dc6 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 18:49:37 -0500
Subject: [PATCH 217/273] make sure all local Tree pointers are initialized,
 either to a newly allocated Tree() or NULL

---
 src/variable.cpp | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/variable.cpp b/src/variable.cpp
index af5f647b74..f83d3ebc20 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -956,7 +956,7 @@ double Variable::compute_equal(char *str)
 void Variable::compute_atom(int ivar, int igroup,
                             double *result, int stride, int sumflag)
 {
-  Tree *tree;
+  Tree *tree = NULL;
   double *vstore;
 
   if (eval_in_progress[ivar])
@@ -1028,7 +1028,7 @@ void Variable::compute_atom(int ivar, int igroup,
 
 int Variable::compute_vector(int ivar, double **result)
 {
-  Tree *tree;
+  Tree *tree = NULL;
   if (vecs[ivar].currentstep == update->ntimestep) {
     *result = vecs[ivar].values;
     return vecs[ivar].n;
@@ -1215,7 +1215,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
       // evaluate contents and push on stack
 
       if (tree) {
-        Tree *newtree;
+        Tree *newtree = NULL;
         evaluate(contents,&newtree,ivar);
         treestack[ntreestack++] = newtree;
       } else argstack[nargstack++] = evaluate(contents,NULL,ivar);
@@ -1915,7 +1915,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
             print_var_error(FLERR,"Atom-style variable in "
                             "vector-style variable formula",ivar);
 
-          Tree *newtree;
+          Tree *newtree = NULL;
           evaluate(data[ivar][0],&newtree,ivar);
           treestack[ntreestack++] = newtree;
 
@@ -3325,7 +3325,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
   char *args[MAXFUNCARG];
   int narg = parse_args(contents,args);
 
-  Tree *newtree;
+  Tree *newtree = NULL;
   double value1,value2;
   double values[MAXFUNCARG-2];
 
@@ -3333,7 +3333,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
     newtree = new Tree();
     newtree->first = newtree->second = NULL;
     newtree->nextra = 0;
-    Tree *argtree;
+    Tree *argtree = NULL;
     evaluate(args[0],&argtree,ivar);
     newtree->first = argtree;
     if (narg > 1) {

From 798f098e4aa4ea2840e6b137694ab9f3015f0858 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 18:57:26 -0500
Subject: [PATCH 218/273] remove USER-OMP version of fix nphug, which had
 intermittant and difficult to track down memory corruption issues with
 multiple threads.

---
 src/USER-OMP/fix_nphug_omp.cpp | 460 ---------------------------------
 src/USER-OMP/fix_nphug_omp.h   |  98 -------
 2 files changed, 558 deletions(-)
 delete mode 100644 src/USER-OMP/fix_nphug_omp.cpp
 delete mode 100644 src/USER-OMP/fix_nphug_omp.h

diff --git a/src/USER-OMP/fix_nphug_omp.cpp b/src/USER-OMP/fix_nphug_omp.cpp
deleted file mode 100644
index a2ed8eb7aa..0000000000
--- a/src/USER-OMP/fix_nphug_omp.cpp
+++ /dev/null
@@ -1,460 +0,0 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include "fix_nphug_omp.h"
-#include "modify.h"
-#include "error.h"
-#include "update.h"
-#include "compute.h"
-#include "force.h"
-#include "domain.h"
-#include "group.h"
-#include "memory.h"
-#include "comm.h"
-
-using namespace LAMMPS_NS;
-using namespace FixConst;
-
-enum{ISO,ANISO,TRICLINIC}; // same as fix_nh.cpp
-
-/* ---------------------------------------------------------------------- */
-
-FixNPHugOMP::FixNPHugOMP(LAMMPS *lmp, int narg, char **arg) :
-  FixNHOMP(lmp, narg, arg), pe(NULL), id_pe(NULL)
-{
-
-  // Prevent masses from being updated every timestep
-
-  eta_mass_flag = 0;
-  omega_mass_flag = 0;
-  etap_mass_flag = 0;
-
-  // extend vector of base-class computes
-
-  size_vector += 3;
-
-  // turn off deviatoric flag and remove strain energy from vector
-
-  deviatoric_flag = 0;
-  size_vector -= 1;
-
-  // use initial state as reference state
-
-  v0_set = p0_set = e0_set = 0;
-
-  // check pressure settings
-
-  if (p_start[0] != p_stop[0] ||
-      p_start[1] != p_stop[1] ||
-      p_start[2] != p_stop[2])
-    error->all(FLERR,"Pstart and Pstop must have the same value");
-
-  // uniaxial = 0 means hydrostatic compression
-  // uniaxial = 1 means uniaxial compression
-  //      in x, y, or z (idir = 0, 1, or 2)
-
-  // isotropic hydrostatic compression
-
-  if (pstyle == ISO) {
-    uniaxial = 0;
-
-    // anisotropic compression
-
-  } else if (pstyle == ANISO) {
-
-    // anisotropic hydrostatic compression
-
-    if (p_start[0] == p_start[1] &&
-        p_start[0] == p_start[2] )
-      uniaxial = 0;
-
-    // uniaxial compression
-
-    else if (p_flag[0] == 1 && p_flag[1] == 0
-        && p_flag[2] == 0) {
-      uniaxial = 1;
-      idir = 0;
-    } else if (p_flag[0] == 0 && p_flag[1] == 1
-           && p_flag[2] == 0) {
-      uniaxial = 1;
-      idir = 1;
-    } else if (p_flag[0] == 0 && p_flag[1] == 0
-               && p_flag[2] == 1) {
-      uniaxial = 1;
-      idir = 2;
-
-    } else error->all(FLERR,"Specified target stress must be uniaxial or hydrostatic");
-
-    // triclinic hydrostatic compression
-
-  } else if (pstyle == TRICLINIC) {
-
-    if (p_start[0] == p_start[1] &&
-        p_start[0] == p_start[2] &&
-        p_start[3] == 0.0 &&
-        p_start[4] == 0.0 &&
-        p_start[5] == 0.0 )
-      uniaxial = 0;
-
-    else error->all(FLERR,"For triclinic deformation, specified target stress must be hydrostatic");
-  }
-
-  if (!tstat_flag)
-    error->all(FLERR,"Temperature control must be used with fix nphug/omp");
-  if (!pstat_flag)
-    error->all(FLERR,"Pressure control must be used with fix nphug/omp");
-
-  // create a new compute temp style
-  // id = fix-ID + temp
-  // compute group = all since pressure is always global (group all)
-  // and thus its KE/temperature contribution should use group all
-
-  int n = strlen(id) + 6;
-  id_temp = new char[n];
-  strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
-
-  char **newarg = new char*[3];
-  newarg[0] = id_temp;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "temp";
-
-  modify->add_compute(3,newarg);
-  delete [] newarg;
-  tcomputeflag = 1;
-
-  // create a new compute pressure style
-  // id = fix-ID + press, compute group = all
-  // pass id_temp as 4th arg to pressure constructor
-
-  n = strlen(id) + 7;
-  id_press = new char[n];
-  strcpy(id_press,id);
-  strcat(id_press,"_press");
-
-  newarg = new char*[4];
-  newarg[0] = id_press;
-  newarg[1] = (char *) "all";
-  newarg[2] = (char *) "pressure";
-  newarg[3] = id_temp;
-  modify->add_compute(4,newarg);
-  delete [] newarg;
-  pcomputeflag = 1;
-
-  // create a new compute potential energy compute
-
-  n = strlen(id) + 4;
-  id_pe = new char[n];
-  strcpy(id_pe,id);
-  strcat(id_pe,"_pe");
-
-  newarg = new char*[3];
-  newarg[0] = id_pe;
-  newarg[1] = (char*)"all";
-  newarg[2] = (char*)"pe";
-  modify->add_compute(3,newarg);
-  delete [] newarg;
-  peflag = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-FixNPHugOMP::~FixNPHugOMP()
-{
-
-  // temp and press computes handled by base class
-  // delete pe compute
-
-  if (peflag) modify->delete_compute(id_pe);
-  delete [] id_pe;
-
-}
-
-/* ---------------------------------------------------------------------- */
-
-void FixNPHugOMP::init()
-{
-  // Call base class init()
-
-  FixNHOMP::init();
-
-  // set pe ptr
-
-  int icompute = modify->find_compute(id_pe);
-  if (icompute < 0)
-    error->all(FLERR,"Potential energy ID for fix nvt/nph/npt does not exist");
-  pe = modify->compute[icompute];
-}
-
-
-/* ----------------------------------------------------------------------
-   compute initial state before integrator starts
-------------------------------------------------------------------------- */
-
-void FixNPHugOMP::setup(int vflag)
-{
-  FixNHOMP::setup(vflag);
-
-  if ( v0_set == 0 ) {
-    v0 = compute_vol();
-    v0_set = 1;
-  }
-
-  if ( p0_set == 0 ) {
-    p0_set = 1;
-    if (uniaxial == 1)
-      p0 = p_current[idir];
-    else
-      p0 = (p_current[0]+p_current[1]+p_current[2])/3.0;
-  }
-
-  if ( e0_set == 0 ) {
-    e0 = compute_etotal();
-    e0_set = 1;
-  }
-
-  double masstot = group->mass(igroup);
-  rho0 = nktv2p*force->mvv2e*masstot/v0;
-
-  t_target = 0.01;
-
-  pe->addstep(update->ntimestep+1);
-}
-
-/* ----------------------------------------------------------------------
-   compute target temperature and kinetic energy
------------------------------------------------------------------------*/
-
-void FixNPHugOMP::compute_temp_target()
-{
-  t_target = t_current + compute_hugoniot();
-  ke_target = tdof * boltz * t_target;
-  pe->addstep(update->ntimestep+1);
-}
-
-/* ---------------------------------------------------------------------- */
-
-double FixNPHugOMP::compute_etotal()
-{
-  double epot,ekin,etot;
-  epot = pe->compute_scalar();
-  if (thermo_energy) epot -= compute_scalar();
-  ekin = temperature->compute_scalar();
-  ekin *= 0.5 * tdof * force->boltz;
-  etot = epot+ekin;
-  return etot;
-}
-
-/* ---------------------------------------------------------------------- */
-
-double FixNPHugOMP::compute_vol()
-{
-  if (domain->dimension == 3)
-    return domain->xprd * domain->yprd * domain->zprd;
-  else
-    return domain->xprd * domain->yprd;
-}
-
-/* ----------------------------------------------------------------------
-   Computes the deviation of the current point
-   from the Hugoniot in temperature units.
-------------------------------------------------------------------------- */
-
-double FixNPHugOMP::compute_hugoniot()
-{
-  double v,e,p;
-  double dhugo;
-
-  e = compute_etotal();
-
-  temperature->compute_vector();
-
-
-  if (uniaxial == 1) {
-    pressure->compute_vector();
-    p = pressure->vector[idir];
-  } else
-    p = pressure->compute_scalar();
-
-  v = compute_vol();
-
-  dhugo = (0.5 * (p + p0 ) * ( v0 - v)) /
-    force->nktv2p + e0 - e;
-
-  dhugo /= tdof * boltz;
-
-  return dhugo;
-}
-
-/* ----------------------------------------------------------------------
-   Compute shock velocity is distance/time units
-------------------------------------------------------------------------- */
-
-double FixNPHugOMP::compute_us()
-{
-  double v,p;
-  double eps,us;
-
-  temperature->compute_vector();
-
-  if (uniaxial == 1) {
-    pressure->compute_vector();
-    p = pressure->vector[idir];
-  } else
-    p = pressure->compute_scalar();
-
-  v = compute_vol();
-
-  // Us^2 = (p-p0)/(rho0*eps)
-
-  eps = 1.0 - v/v0;
-  if (eps < 1.0e-10) us = 0.0;
-  else if (p < p0) us = 0.0;
-  else us = sqrt((p-p0)/(rho0*eps));
-
-  return us;
-}
-
-/* ----------------------------------------------------------------------
-   Compute particle velocity is distance/time units
-------------------------------------------------------------------------- */
-
-double FixNPHugOMP::compute_up()
-{
-  double v;
-  double eps,us,up;
-
-  v = compute_vol();
-  us = compute_us();
-
-  // u = eps*Us
-
-  eps = 1.0 - v/v0;
-  up = us*eps;
-
-  return up;
-}
-
-// look for index in local class
-// if index not found, look in base class
-
-double FixNPHugOMP::compute_vector(int n)
-{
-  int ilen;
-
-  // n = 0: Hugoniot energy difference (temperature units)
-
-  ilen = 1;
-  if (n < ilen) return compute_hugoniot();
-  n -= ilen;
-
-  // n = 1: Shock velocity
-
-  ilen = 1;
-  if (n < ilen) return compute_us();
-  n -= ilen;
-
-  // n = 2: Particle velocity
-
-  ilen = 1;
-  if (n < ilen) return compute_up();
-  n -= ilen;
-
-  // index not found, look in base class
-
-  return FixNHOMP::compute_vector(n);
-}
-
-/* ----------------------------------------------------------------------
-   pack restart data
-------------------------------------------------------------------------- */
-
-int FixNPHugOMP::pack_restart_data(double *list)
-{
-  int n = 0;
-
-  list[n++] = e0;
-  list[n++] = v0;
-  list[n++] = p0;
-
-  // call the base class function
-
-  n += FixNHOMP::pack_restart_data(list+n);
-
-  return n;
-}
-
-/* ----------------------------------------------------------------------
-   calculate the number of data to be packed
-------------------------------------------------------------------------- */
-
-int FixNPHugOMP::size_restart_global()
-{
-  int nsize = 3;
-
-  // call the base class function
-
-  nsize += FixNHOMP::size_restart_global();
-
-  return nsize;
-}
-
-/* ----------------------------------------------------------------------
-   use state info from restart file to restart the Fix
-------------------------------------------------------------------------- */
-
-void FixNPHugOMP::restart(char *buf)
-{
-  int n = 0;
-  double *list = (double *) buf;
-  e0 = list[n++];
-  v0 = list[n++];
-  p0 = list[n++];
-
-  e0_set = 1;
-  v0_set = 1;
-  p0_set = 1;
-
-  // call the base class function
-
-  buf += n*sizeof(double);
-  FixNHOMP::restart(buf);
-
-}
-
-/* ---------------------------------------------------------------------- */
-
-int FixNPHugOMP::modify_param(int narg, char **arg)
-{
-  if (strcmp(arg[0],"e0") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    e0 = force->numeric(FLERR,arg[1]);
-    e0_set = 1;
-    return 2;
-  } else if (strcmp(arg[0],"v0") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    v0 = force->numeric(FLERR,arg[1]);
-    v0_set = 1;
-    return 2;
-  } else if (strcmp(arg[0],"p0") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    p0 = force->numeric(FLERR,arg[1]);
-    p0_set = 1;
-    return 2;
-  }
-
-  return 0;
-}
diff --git a/src/USER-OMP/fix_nphug_omp.h b/src/USER-OMP/fix_nphug_omp.h
deleted file mode 100644
index 4a4db63440..0000000000
--- a/src/USER-OMP/fix_nphug_omp.h
+++ /dev/null
@@ -1,98 +0,0 @@
-/* -*- c++ -*- ----------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef FIX_CLASS
-
-FixStyle(nphug/omp,FixNPHugOMP)
-
-#else
-
-#ifndef LMP_FIX_NPHUG_OMP_H
-#define LMP_FIX_NPHUG_OMP_H
-
-#include "fix_nh_omp.h"
-
-namespace LAMMPS_NS {
-
-class FixNPHugOMP : public FixNHOMP {
- public:
-  FixNPHugOMP(class LAMMPS *, int, char **);
-  virtual ~FixNPHugOMP();
-
-  virtual void init();
-  virtual void setup(int);
-  virtual int modify_param(int, char **);
-  virtual int pack_restart_data(double *); // pack restart data
-  virtual void restart(char *);
-
- private:
-  class Compute *pe;               // PE compute pointer
-
-  void compute_temp_target();
-  double compute_vector(int);
-  double compute_etotal();
-  double compute_vol();
-  double compute_hugoniot();
-  double compute_us();
-  double compute_up();
-
-  char *id_pe;
-  int peflag;
-  int v0_set,p0_set,e0_set;
-  double v0,p0,e0,rho0;
-  int idir;
-  int uniaxial;
-
-  int size_restart_global();
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-E: Pstart and Pstop must have the same value
-
-Self-explanatory.
-
-E: Specified target stress must be uniaxial or hydrostatic
-
-Self-explanatory.
-
-E: For triclinic deformation, specified target stress must be hydrostatic
-
-Triclinic pressure control is allowed using the tri keyword, but
-non-hydrostatic pressure control can not be used in this case.
-
-E: Temperature control must be used with fix nphug
-
-The temp keyword must be provided.
-
-E: Pressure control must be used with fix nphug
-
-A pressure control keyword (iso, aniso, tri, x, y, or z) must be
-provided.
-
-E: Potential energy ID for fix nvt/nph/npt does not exist
-
-A compute for potential energy must be defined.
-
-E: Illegal ... command
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line.
-
-*/

From c763916f9e8709774f16bd517a2aaa3c4e5bf90f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 21:21:54 -0500
Subject: [PATCH 219/273] update log files for granregion hugoniostat and
 indent examples

---
 .../log.27Nov18.granregion.box.g++.1          | 475 ++++++++++++++
 .../log.27Nov18.granregion.box.g++.4          | 475 ++++++++++++++
 .../log.27Nov18.granregion.funnel.g++.1       | 601 +++++++++++++++++
 .../log.27Nov18.granregion.funnel.g++.4       | 601 +++++++++++++++++
 .../log.27Nov18.granregion.mixer.g++.1        | 602 +++++++++++++++++
 .../log.27Nov18.granregion.mixer.g++.4        | 602 +++++++++++++++++
 .../log.6Oct16.granregion.box.g++.1           | 468 --------------
 .../log.6Oct16.granregion.box.g++.4           | 468 --------------
 .../log.6Oct16.granregion.funnel.g++.1        | 608 -----------------
 .../log.6Oct16.granregion.funnel.g++.4        | 608 -----------------
 .../log.6Oct16.granregion.mixer.g++.1         | 609 ------------------
 .../log.6Oct16.granregion.mixer.g++.4         | 609 ------------------
 examples/hugoniostat/in.hugoniostat           |  32 +-
 .../hugoniostat/log.27Nov18.hugoniostat.g++.1 | 401 ++++++++++++
 .../hugoniostat/log.27Nov18.hugoniostat.g++.4 | 401 ++++++++++++
 ....indent.g++.1 => log.27Nov18.indent.g++.1} |  55 +-
 ....indent.g++.4 => log.27Nov18.indent.g++.4} |  57 +-
 ...min.g++.1 => log.27Nov18.indent.min.g++.1} | 153 ++---
 ...min.g++.4 => log.27Nov18.indent.min.g++.4} | 153 ++---
 19 files changed, 4394 insertions(+), 3584 deletions(-)
 create mode 100644 examples/granregion/log.27Nov18.granregion.box.g++.1
 create mode 100644 examples/granregion/log.27Nov18.granregion.box.g++.4
 create mode 100644 examples/granregion/log.27Nov18.granregion.funnel.g++.1
 create mode 100644 examples/granregion/log.27Nov18.granregion.funnel.g++.4
 create mode 100644 examples/granregion/log.27Nov18.granregion.mixer.g++.1
 create mode 100644 examples/granregion/log.27Nov18.granregion.mixer.g++.4
 delete mode 100644 examples/granregion/log.6Oct16.granregion.box.g++.1
 delete mode 100644 examples/granregion/log.6Oct16.granregion.box.g++.4
 delete mode 100644 examples/granregion/log.6Oct16.granregion.funnel.g++.1
 delete mode 100644 examples/granregion/log.6Oct16.granregion.funnel.g++.4
 delete mode 100644 examples/granregion/log.6Oct16.granregion.mixer.g++.1
 delete mode 100644 examples/granregion/log.6Oct16.granregion.mixer.g++.4
 create mode 100644 examples/hugoniostat/log.27Nov18.hugoniostat.g++.1
 create mode 100644 examples/hugoniostat/log.27Nov18.hugoniostat.g++.4
 rename examples/indent/{log.5Oct16.indent.g++.1 => log.27Nov18.indent.g++.1} (82%)
 rename examples/indent/{log.5Oct16.indent.g++.4 => log.27Nov18.indent.g++.4} (82%)
 rename examples/indent/{log.5Oct16.indent.min.g++.1 => log.27Nov18.indent.min.g++.1} (77%)
 rename examples/indent/{log.5Oct16.indent.min.g++.4 => log.27Nov18.indent.min.g++.4} (76%)

diff --git a/examples/granregion/log.27Nov18.granregion.box.g++.1 b/examples/granregion/log.27Nov18.granregion.box.g++.1
new file mode 100644
index 0000000000..ef004b7398
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.box.g++.1
@@ -0,0 +1,475 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# pouring spheres into container box
+
+units		lj
+atom_style      sphere
+boundary        f f f
+dimension	3
+comm_modify     vel yes
+
+region          box block -10 10 -10 10 -10 10 units box
+create_box      2 box
+Created orthogonal box = (-10 -10 -10) to (10 10 10)
+  1 by 1 by 1 MPI processor grid
+
+pair_style	hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
+pair_coeff	* * gran/hooke
+
+region          container block -6 6 -6 6 -6 6 units box
+fix		container all wall/gran/region hooke/history 		4000.0 NULL 100.0 NULL 0.5 1 region container
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix             2 all nve/sphere
+fix		3 all gravity 1.0 vector 0 0 -1
+
+region          slab block -2 2 -2 2 -2 2 units box
+fix             ins all pour 100 2 4767548 vol 0.4 10 	        diam one 1.0 region slab ignore
+Particle insertion: 48 every 566 steps, 100 by step 1133
+
+timestep	0.005
+
+compute         1 all temp
+compute_modify  1 dynamic/dof yes
+
+compute         2 all temp/sphere
+compute_modify  2 dynamic/dof yes
+
+thermo		100
+thermo_style	custom step atoms temp c_1 c_2 press
+thermo_modify   lost ignore
+compute_modify  thermo_temp dynamic/dof yes
+
+#dump		2 all image 100 image.*.jpg type type #		zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
+#dump_modify	2 pad 5
+
+run	        5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.3
+  ghost atom cutoff = 1.3
+  binsize = 0.65, bins = 31 31 31
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke, perpetual
+      attributes: half, newton on, size
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 0.5855 | 0.5855 | 0.5855 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+       0        0            0            0            0            0 
+     100       21   0.54270729   0.54270729   0.26473526 0.0013567682 
+     200       21   0.87606961   0.87606961   0.42735103  0.002190174 
+     300       21    1.1428374    1.1428374   0.55748167 0.0028570936 
+     400       21    1.3543103    1.3543103   0.66829516 0.0033857758 
+     500       21    1.0677786    1.0677786   0.53582407 0.0045048164 
+     600       56    0.6744286    0.6744286    0.3502938 0.0047464584 
+     700       56   0.75569283   0.75569283   0.39779462 0.0051953882 
+     800       56   0.61597505   0.61597505   0.32943642 0.0086022783 
+     900       56   0.65260802   0.65260802   0.34474044 0.0059298996 
+    1000       56   0.51624952   0.51624952   0.28326898 0.0067827337 
+    1100       56   0.46050076   0.46050076   0.25656319 0.0061891094 
+    1200       81   0.39112346   0.39112346   0.21690172 0.0086559316 
+    1300       81   0.33302617   0.33302617   0.19109398 0.0033381104 
+    1400       81    0.3933533    0.3933533   0.21221692  0.004135078 
+    1500       81   0.35495297   0.35495297   0.19925984 0.0037374946 
+    1600       81   0.34150606   0.34150606   0.19025811 0.0053492835 
+    1700      100    0.2561647    0.2561647   0.14186278 0.0090767057 
+    1800      100   0.21124278   0.21124278   0.12154878 0.0028545759 
+    1900      100   0.21793955   0.21793955   0.12173867 0.0029049155 
+    2000      100   0.25530858   0.25530858   0.13892272 0.0035528009 
+    2100      100   0.24671808   0.24671808   0.13687783 0.0076812435 
+    2200      100   0.22465216   0.22465216   0.12513603 0.0042528715 
+    2300      100   0.19362854   0.19362854   0.10914305 0.0061173739 
+    2400      100  0.061627608  0.061627608  0.045907717 0.0010422721 
+    2500      100  0.052700901  0.052700901  0.038883014 0.0019341647 
+    2600      100  0.037332018  0.037332018  0.028357146 0.0028364476 
+    2700      100  0.033526602  0.033526602  0.024609055 0.00044524562 
+    2800      100    0.0194148    0.0194148  0.014491377 0.00056526591 
+    2900      100  0.012346108  0.012346108  0.009857017 0.00081855699 
+    3000      100    0.0107344    0.0107344  0.008669364 0.00040371396 
+    3100      100 0.0092678291 0.0092678291 0.0073003108 0.00033287397 
+    3200      100 0.0085847001 0.0085847001 0.0064045591 0.00023253547 
+    3300      100 0.0049475182 0.0049475182 0.0041173627 0.00019876269 
+    3400      100 0.0030471097 0.0030471097 0.0026940466 0.00013462604 
+    3500      100 0.0031188371 0.0031188371  0.002612223 0.00026148578 
+    3600      100 0.0017616584 0.0017616584 0.0017464137 0.00019049724 
+    3700      100 0.0015475923 0.0015475923 0.0015560356 0.00025062814 
+    3800      100 0.0012547887 0.0012547887 0.0012622678 0.00014132236 
+    3900      100 0.0010047282 0.0010047282 0.0010379262 9.7665594e-05 
+    4000      100 0.00080895307 0.00080895307 0.00088263027 8.1278842e-05 
+    4100      100 0.00079078739 0.00079078739 0.00085810727 8.1271694e-05 
+    4200      100 0.00075192318 0.00075192318 0.00083085046 8.9352453e-05 
+    4300      100 0.00063546457 0.00063546457 0.00073222177 8.9264255e-05 
+    4400      100 0.00062398391 0.00062398391 0.00071312118 8.4200615e-05 
+    4500      100 0.00056464934 0.00056464934 0.00066087801 9.2097641e-05 
+    4600      100 0.00066951894 0.00066951894 0.00071633313 8.2457941e-05 
+    4700      100  0.001128837  0.001128837 0.00095293877 0.00011716361 
+    4800      100 0.00049580391 0.00049580391 0.00056710488 0.00010718794 
+    4900      100 0.00054374371 0.00054374371 0.00058671699 5.6580257e-05 
+    5000      100 0.00043016232 0.00043016232 0.00050264172 2.8640786e-05 
+Loop time of 0.0807264 on 1 procs for 5000 steps with 100 atoms
+
+Performance: 26757050.955 tau/day, 61937.618 timesteps/s
+97.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0089066  | 0.0089066  | 0.0089066  |   0.0 | 11.03
+Neigh   | 0.017107   | 0.017107   | 0.017107   |   0.0 | 21.19
+Comm    | 0.00091505 | 0.00091505 | 0.00091505 |   0.0 |  1.13
+Output  | 0.00051451 | 0.00051451 | 0.00051451 |   0.0 |  0.64
+Modify  | 0.047671   | 0.047671   | 0.047671   |   0.0 | 59.05
+Other   |            | 0.005612   |            |       |  6.95
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    158 ave 158 max 158 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 158
+Ave neighs/atom = 1.58
+Neighbor list builds = 310
+Dangerous builds = 0
+
+region          container delete
+variable        theta equal (step-5000)*(4.0*PI/5000)
+region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 0 0 1
+run	        5000
+Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+    5000      100 0.00043016232 0.00043016232 0.00050264172 2.8677624e-05 
+    5100      100   0.56489668   0.56489668   0.31137762  0.011848041 
+    5200      100   0.66068288   0.66068288   0.35915482  0.010199755 
+    5300      100   0.74068022   0.74068022   0.39643217  0.010806409 
+    5400      100   0.80913562   0.80913562   0.42748505   0.01190892 
+    5500      100   0.89409135   0.89409135   0.46135116  0.013093474 
+    5600      100   0.97585093   0.97585093   0.50021126  0.013588886 
+    5700      100    1.0151954    1.0151954    0.5174624   0.01601347 
+    5800      100    1.0452728    1.0452728   0.53122496   0.01879329 
+    5900      100    1.0881689    1.0881689   0.55152229  0.017120714 
+    6000      100    1.1133186    1.1133186    0.5638022  0.017284617 
+    6100      100    1.1532099    1.1532099   0.58310076  0.017031384 
+    6200      100    1.1798849    1.1798849    0.5959516  0.017971323 
+    6300      100      1.19387      1.19387   0.60173877  0.020140984 
+    6400      100    1.2126705    1.2126705   0.61086899  0.018426638 
+    6500      100    1.2137646    1.2137646   0.61284198  0.019127381 
+    6600      100    1.2339012    1.2339012   0.62199324  0.019378799 
+    6700      100    1.2439326    1.2439326   0.62488425  0.021049447 
+    6800      100    1.2489549    1.2489549    0.6278167  0.019552409 
+    6900      100    1.2733303    1.2733303   0.63898149  0.020237284 
+    7000      100    1.2835029    1.2835029    0.6440245  0.020798586 
+    7100      100    1.2866111    1.2866111   0.64522896  0.020355019 
+    7200      100    1.2886381    1.2886381    0.6467497   0.02062322 
+    7300      100    1.2885085    1.2885085   0.64617988  0.020350755 
+    7400      100    1.2912349    1.2912349   0.64691898  0.020197503 
+    7500      100    1.2963062    1.2963062   0.64926335  0.020349791 
+    7600      100    1.3016488    1.3016488   0.65150178  0.021001457 
+    7700      100    1.3009311    1.3009311   0.65106234  0.021546471 
+    7800      100    1.3016987    1.3016987   0.65143099  0.020994967 
+    7900      100    1.3028811    1.3028811   0.65164558  0.022200425 
+    8000      100    1.3087855    1.3087855   0.65439023  0.021310808 
+    8100      100    1.3102001    1.3102001   0.65514941  0.021177764 
+    8200      100    1.3133931    1.3133931   0.65681861  0.021591267 
+    8300      100    1.3148898    1.3148898   0.65775353  0.021335384 
+    8400      100    1.3160355    1.3160355   0.65845913  0.021238095 
+    8500      100    1.3171797    1.3171797   0.65934185  0.021172983 
+    8600      100    1.3176785    1.3176785   0.65964311  0.020747457 
+    8700      100    1.3180425    1.3180425   0.66019624  0.021275913 
+    8800      100    1.3287501    1.3287501   0.66444242  0.021832635 
+    8900      100    1.3249847    1.3249847    0.6625848  0.021337451 
+    9000      100     1.326216     1.326216   0.66297827  0.021470663 
+    9100      100    1.3261662    1.3261662   0.66303852  0.021423573 
+    9200      100    1.3312132    1.3312132    0.6653609  0.021385943 
+    9300      100    1.3300976    1.3300976   0.66504574  0.021489888 
+    9400      100    1.3377335    1.3377335   0.66820989  0.021565001 
+    9500      100    1.3421956    1.3421956   0.67027168  0.022402346 
+    9600      100    1.3464217    1.3464217   0.67228206  0.021991922 
+    9700      100    1.3470623    1.3470623   0.67258349  0.022035729 
+    9800      100    1.3446725    1.3446725   0.67135725  0.022295251 
+    9900      100     1.343146     1.343146   0.67066672  0.022049041 
+   10000      100    1.3435397    1.3435397   0.67093067  0.022451365 
+Loop time of 0.247549 on 1 procs for 5000 steps with 100 atoms
+
+Performance: 8725560.044 tau/day, 20198.056 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.031783   | 0.031783   | 0.031783   |   0.0 | 12.84
+Neigh   | 0.038383   | 0.038383   | 0.038383   |   0.0 | 15.51
+Comm    | 0.0012343  | 0.0012343  | 0.0012343  |   0.0 |  0.50
+Output  | 0.00056028 | 0.00056028 | 0.00056028 |   0.0 |  0.23
+Modify  | 0.1687     | 0.1687     | 0.1687     |   0.0 | 68.15
+Other   |            | 0.00689    |            |       |  2.78
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    199 ave 199 max 199 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 199
+Ave neighs/atom = 1.99
+Neighbor list builds = 621
+Dangerous builds = 0
+
+region          container delete
+region          container block -6 6 -6 6 -6 6 units box
+run             5000
+Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   10000      100    1.3435397    1.3435397   0.67093067  0.022411116 
+   10100      100   0.31352763   0.31352763   0.18877908   0.01321582 
+   10200      100   0.13367611   0.13367611  0.090010637 0.0074171016 
+   10300      100  0.068195658  0.068195658  0.052632714 0.0019696287 
+   10400      100  0.053814936  0.053814936  0.043037586 0.0017121584 
+   10500      100   0.04032072   0.04032072  0.032944572 0.0011809154 
+   10600      100  0.029178161  0.029178161  0.023951873 0.0007804529 
+   10700      100  0.025978206  0.025978206  0.021045025 0.00099531465 
+   10800      100  0.023205036  0.023205036   0.01898502 0.00040036401 
+   10900      100  0.019994638  0.019994638  0.016451227 0.00027385559 
+   11000      100  0.017838131  0.017838131  0.014730762 0.00040399762 
+   11100      100  0.014863196  0.014863196  0.012314308 0.00019097464 
+   11200      100  0.012131256  0.012131256  0.010102122 0.00018514926 
+   11300      100  0.010881385  0.010881385 0.0090013541 0.00016579157 
+   11400      100 0.0076519814 0.0076519814 0.0064604568 0.00035399997 
+   11500      100 0.0067507315 0.0067507315 0.0057378868 0.00049116726 
+   11600      100 0.0053146649 0.0053146649 0.0047005938 0.00019625233 
+   11700      100 0.0044162463 0.0044162463 0.0039534657 0.00012548039 
+   11800      100 0.0037025387 0.0037025387 0.0033604103 6.2969827e-05 
+   11900      100 0.0032632211 0.0032632211 0.0030406641 8.1600622e-05 
+   12000      100 0.0028944057 0.0028944057 0.0026875858 6.6435833e-05 
+   12100      100 0.0027644728 0.0027644728 0.0025859762 5.5899271e-05 
+   12200      100  0.002480367  0.002480367 0.0023685117 6.0201418e-05 
+   12300      100 0.0024136475 0.0024136475 0.0023107986 4.4386874e-05 
+   12400      100 0.0021911567 0.0021911567 0.0021413262 5.0213175e-05 
+   12500      100 0.0019775905 0.0019775905 0.0019927698 0.00035250097 
+   12600      100 0.0017410363 0.0017410363  0.001830428 5.7885177e-05 
+   12700      100 0.0015749276 0.0015749276 0.0016816771 4.5530192e-05 
+   12800      100 0.0015187705 0.0015187705 0.0016218625 4.0589413e-05 
+   12900      100 0.0014778376 0.0014778376  0.001580232 4.0085455e-05 
+   13000      100 0.0014693491 0.0014693491 0.0015681809 4.0407656e-05 
+   13100      100 0.0014434495 0.0014434495 0.0015356278 5.7849212e-05 
+   13200      100 0.0014121959 0.0014121959 0.0015058758 3.2720737e-05 
+   13300      100 0.0012876041 0.0012876041 0.0013838998 3.7725702e-05 
+   13400      100 0.0012304951 0.0012304951 0.0013373457 3.6784546e-05 
+   13500      100 0.0011954303 0.0011954303 0.0012877627 3.6584963e-05 
+   13600      100 0.0011028947 0.0011028947 0.0011955404 2.3767582e-05 
+   13700      100 0.0010611762 0.0010611762 0.0011504675 3.485879e-05 
+   13800      100 0.0010080835 0.0010080835 0.0010997919 3.7905404e-05 
+   13900      100 0.00096495712 0.00096495712 0.0010530767 3.5273885e-05 
+   14000      100 0.00094945029 0.00094945029 0.0010409175 3.3718395e-05 
+   14100      100 0.00092386757 0.00092386757 0.0010217415 3.3313256e-05 
+   14200      100 0.00088928389 0.00088928389  0.000983023 3.290941e-05 
+   14300      100 0.00082696485 0.00082696485 0.00092690771 3.1651431e-05 
+   14400      100 0.00081086188 0.00081086188 0.00091681096 3.1845632e-05 
+   14500      100 0.00077732305 0.00077732305 0.00087592983 4.8087361e-05 
+   14600      100 0.00073386005 0.00073386005 0.00082546873 3.0892065e-05 
+   14700      100 0.00068701098 0.00068701098 0.00075953521 0.00010208859 
+   14800      100 0.00065860451 0.00065860451 0.00073738846 2.9272912e-05 
+   14900      100 0.00064706564 0.00064706564 0.00072748391 2.9817955e-05 
+   15000      100 0.00064227996 0.00064227996 0.00070964586 3.2547768e-05 
+Loop time of 0.0840213 on 1 procs for 5000 steps with 100 atoms
+
+Performance: 25707757.817 tau/day, 59508.699 timesteps/s
+98.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.01004    | 0.01004    | 0.01004    |   0.0 | 11.95
+Neigh   | 0.0057366  | 0.0057366  | 0.0057366  |   0.0 |  6.83
+Comm    | 0.00086808 | 0.00086808 | 0.00086808 |   0.0 |  1.03
+Output  | 0.00049472 | 0.00049472 | 0.00049472 |   0.0 |  0.59
+Modify  | 0.060893   | 0.060893   | 0.060893   |   0.0 | 72.47
+Other   |            | 0.005989   |            |       |  7.13
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    151 ave 151 max 151 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 151
+Ave neighs/atom = 1.51
+Neighbor list builds = 92
+Dangerous builds = 0
+
+region          container delete
+variable        theta equal (step-15000)*(4.0*PI/5000)
+region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 1 1 1
+run	        5000
+Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   15000      100 0.00064227996 0.00064227996 0.00070964586 3.2291286e-05 
+   15100      100   0.81230775   0.81230775   0.53266834  0.010948517 
+   15200      100   0.87957637   0.87957637   0.57559572  0.012401402 
+   15300      100    1.0262431    1.0262431   0.66535656  0.015239294 
+   15400      100    1.2863564    1.2863564   0.82026439  0.020115365 
+   15500      100    1.4721549    1.4721549   0.92138954  0.022400442 
+   15600      100    1.7140429    1.7140429    1.0103822   0.02558084 
+   15700      100    1.8963287    1.8963287    1.0916756  0.032032318 
+   15800      100    2.0741177    2.0741177    1.1706233  0.034251942 
+   15900      100    2.1434733    2.1434733    1.2054242  0.030132271 
+   16000      100    2.1409892    2.1409892    1.2019761  0.030914205 
+   16100      100    2.2496058    2.2496058    1.2476438  0.030939743 
+   16200      100     2.233356     2.233356    1.2499888  0.030097445 
+   16300      100    2.2673491    2.2673491     1.272321  0.030968524 
+   16400      100    2.3735648    2.3735648    1.3126117  0.034532377 
+   16500      100    2.4510087    2.4510087    1.3588349  0.036685351 
+   16600      100     2.497406     2.497406    1.3811443  0.032019982 
+   16700      100    2.6800518    2.6800518    1.4661941  0.037455527 
+   16800      100    2.8673997    2.8673997    1.5558303   0.03606532 
+   16900      100    3.1229488    3.1229488    1.6918439  0.039753213 
+   17000      100     3.117815     3.117815    1.6996841  0.046210837 
+   17100      100    3.3336225    3.3336225    1.7834517  0.047865361 
+   17200      100    3.1773164    3.1773164    1.7113961  0.047778334 
+   17300      100    3.4336759    3.4336759    1.8343073  0.049673718 
+   17400      100    3.3142326    3.3142326    1.7796613  0.055329946 
+   17500      100    3.3205493    3.3205493    1.7853946  0.043558145 
+   17600      100    3.2764553    3.2764553    1.7640702  0.051463316 
+   17700      100    3.1909643    3.1909643    1.7407995  0.043248948 
+   17800      100    3.1958324    3.1958324     1.735056  0.050123145 
+   17900      100    3.2431806    3.2431806    1.7380638  0.050838878 
+   18000      100    3.2967417    3.2967417    1.7705821  0.042176084 
+   18100      100    3.4270672    3.4270672    1.8459819  0.043589925 
+   18200      100    3.3638494    3.3638494    1.8159436  0.048949648 
+   18300      100    3.3192279    3.3192279    1.8122198  0.043629595 
+   18400      100    3.2627211    3.2627211     1.796316  0.045504529 
+   18500      100    3.5669172    3.5669172    1.9257062  0.048460393 
+   18600      100    3.5546411    3.5546411    1.9154318  0.046890968 
+   18700      100    3.7288485    3.7288485     2.011106  0.046906531 
+   18800      100    3.6800347    3.6800347    1.9936406  0.049985172 
+   18900      100    3.7151898    3.7151898     2.007659  0.050394561 
+   19000      100    3.9693368    3.9693368    2.1311549  0.053710204 
+   19100      100    3.6907732    3.6907732    1.9939387   0.05480136 
+   19200      100    3.8808777    3.8808777    2.0790125  0.055093552 
+   19300      100    3.8422142    3.8422142    2.0756951  0.058090774 
+   19400      100    3.7836875    3.7836875    2.0399805   0.06965907 
+   19500      100    4.0480195    4.0480195     2.169214  0.053420651 
+   19600      100     3.965917     3.965917    2.1245227  0.059077084 
+   19700      100    3.8980869    3.8980869    2.0956306  0.050857062 
+   19800      100     4.008079     4.008079    2.1501421  0.054938689 
+   19900      100    3.7244506    3.7244506    2.0080877  0.055481507 
+   20000      100    3.8146094    3.8146094    2.0541416  0.053187111 
+Loop time of 0.210396 on 1 procs for 5000 steps with 100 atoms
+
+Performance: 10266363.999 tau/day, 23764.731 timesteps/s
+98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.013991   | 0.013991   | 0.013991   |   0.0 |  6.65
+Neigh   | 0.056947   | 0.056947   | 0.056947   |   0.0 | 27.07
+Comm    | 0.0013928  | 0.0013928  | 0.0013928  |   0.0 |  0.66
+Output  | 0.00054646 | 0.00054646 | 0.00054646 |   0.0 |  0.26
+Modify  | 0.13027    | 0.13027    | 0.13027    |   0.0 | 61.92
+Other   |            | 0.007249   |            |       |  3.45
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    144 ave 144 max 144 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 144
+Ave neighs/atom = 1.44
+Neighbor list builds = 910
+Dangerous builds = 0
+
+region          container delete
+region          container block -6 6 -6 6 -6 6 units box
+run             5000
+Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   20000      100    3.8146094    3.8146094    2.0541416  0.052956687 
+   20100      100    1.3848453    1.3848453   0.82244153  0.017544632 
+   20200      100   0.89469578   0.89469578   0.55929611    0.0111604 
+   20300      100   0.83962013   0.83962013   0.52665461  0.010396174 
+   20400      100   0.77264252   0.77264252   0.48961142 0.0095493901 
+   20500      100   0.78613208   0.78613208   0.48683715  0.012166835 
+   20600      100   0.88411633   0.88411633   0.52854942  0.011725323 
+   20700      100   0.89833225   0.89833225   0.52549693  0.012193413 
+   20800      100   0.90216089   0.90216089   0.51167019  0.014289685 
+   20900      100   0.98665057   0.98665057    0.5468893  0.013794318 
+   21000      100    0.7576342    0.7576342   0.42758791  0.011720156 
+   21100      100    0.3821563    0.3821563   0.23426423  0.005324458 
+   21200      100   0.17486973   0.17486973   0.12876582 0.0029726352 
+   21300      100   0.17940562   0.17940562   0.12400155 0.0026179917 
+   21400      100   0.15526876   0.15526876   0.10526802  0.002341177 
+   21500      100  0.079493361  0.079493361  0.062289324 0.0017379534 
+   21600      100  0.057299519  0.057299519  0.047939171 0.0020095941 
+   21700      100  0.056900097  0.056900097  0.045799124 0.0017782068 
+   21800      100  0.039847861  0.039847861  0.035138066 0.0018265057 
+   21900      100   0.03919167   0.03919167  0.031815619 0.0012160098 
+   22000      100  0.025499317  0.025499317  0.022126202 0.0010056809 
+   22100      100  0.018956113  0.018956113  0.017843095 0.0016109368 
+   22200      100  0.017337018  0.017337018  0.016063068 0.00042537508 
+   22300      100  0.014785686  0.014785686  0.013007571 0.00049466367 
+   22400      100  0.011754087  0.011754087  0.010399793 0.00042349151 
+   22500      100  0.010362474  0.010362474  0.009077435 0.00025198478 
+   22600      100 0.0089484896 0.0089484896 0.0079474121 0.00035239475 
+   22700      100 0.0089936432 0.0089936432 0.0077908763 0.00018548371 
+   22800      100 0.0068663718 0.0068663718 0.0064061667 0.00025641972 
+   22900      100 0.0050272392 0.0050272392 0.0046676214 0.00040466013 
+   23000      100 0.0049250142 0.0049250142 0.0044849467 0.00035704909 
+   23100      100 0.0050508148 0.0050508148 0.0043117775 0.00030051828 
+   23200      100 0.0037293467 0.0037293467 0.0033592517 0.00038108923 
+   23300      100 0.0032823722 0.0032823722 0.0030511575 0.00040421775 
+   23400      100 0.0026913866 0.0026913866 0.0025493429 9.2813733e-05 
+   23500      100 0.0025590632 0.0025590632 0.0024466447 8.4695125e-05 
+   23600      100 0.0025270441 0.0025270441 0.0024236554 8.4237376e-05 
+   23700      100 0.0026406527 0.0026406527 0.0024501963 0.00015009901 
+   23800      100 0.0024633391 0.0024633391 0.0023470594 3.8990761e-05 
+   23900      100 0.0029505606 0.0029505606 0.0025122613 4.9810757e-05 
+   24000      100 0.0019535519 0.0019535519 0.0019112421 3.5804751e-05 
+   24100      100 0.0017505151 0.0017505151  0.001726233 2.380737e-05 
+   24200      100 0.0015864857 0.0015864857 0.0015479949 1.963276e-05 
+   24300      100 0.0014535898 0.0014535898 0.0014221262 3.6607862e-05 
+   24400      100 0.0013744934 0.0013744934 0.0013523293 1.4522467e-05 
+   24500      100 0.0013286378 0.0013286378 0.0013097089 3.2389792e-05 
+   24600      100 0.0012093624 0.0012093624 0.0011617482 4.848694e-05 
+   24700      100 0.0011817062 0.0011817062 0.0011409092 3.8898899e-05 
+   24800      100 0.0011142524 0.0011142524 0.0010877723 1.4560662e-05 
+   24900      100 0.0010941199 0.0010941199 0.0010614415 7.0209336e-05 
+   25000      100 0.0010773559 0.0010773559 0.0010389783 1.3332279e-05 
+Loop time of 0.0912137 on 1 procs for 5000 steps with 100 atoms
+
+Performance: 23680652.416 tau/day, 54816.325 timesteps/s
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.010053   | 0.010053   | 0.010053   |   0.0 | 11.02
+Neigh   | 0.017597   | 0.017597   | 0.017597   |   0.0 | 19.29
+Comm    | 0.00092912 | 0.00092912 | 0.00092912 |   0.0 |  1.02
+Output  | 0.00049806 | 0.00049806 | 0.00049806 |   0.0 |  0.55
+Modify  | 0.056085   | 0.056085   | 0.056085   |   0.0 | 61.49
+Other   |            | 0.006052   |            |       |  6.63
+
+Nlocal:    100 ave 100 max 100 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    143 ave 143 max 143 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 143
+Ave neighs/atom = 1.43
+Neighbor list builds = 289
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/granregion/log.27Nov18.granregion.box.g++.4 b/examples/granregion/log.27Nov18.granregion.box.g++.4
new file mode 100644
index 0000000000..170c8be867
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.box.g++.4
@@ -0,0 +1,475 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# pouring spheres into container box
+
+units		lj
+atom_style      sphere
+boundary        f f f
+dimension	3
+comm_modify     vel yes
+
+region          box block -10 10 -10 10 -10 10 units box
+create_box      2 box
+Created orthogonal box = (-10 -10 -10) to (10 10 10)
+  1 by 2 by 2 MPI processor grid
+
+pair_style	hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
+pair_coeff	* * gran/hooke
+
+region          container block -6 6 -6 6 -6 6 units box
+fix		container all wall/gran/region hooke/history 		4000.0 NULL 100.0 NULL 0.5 1 region container
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix             2 all nve/sphere
+fix		3 all gravity 1.0 vector 0 0 -1
+
+region          slab block -2 2 -2 2 -2 2 units box
+fix             ins all pour 100 2 4767548 vol 0.4 10 	        diam one 1.0 region slab ignore
+Particle insertion: 48 every 566 steps, 100 by step 1133
+
+timestep	0.005
+
+compute         1 all temp
+compute_modify  1 dynamic/dof yes
+
+compute         2 all temp/sphere
+compute_modify  2 dynamic/dof yes
+
+thermo		100
+thermo_style	custom step atoms temp c_1 c_2 press
+thermo_modify   lost ignore
+compute_modify  thermo_temp dynamic/dof yes
+
+#dump		2 all image 100 image.*.jpg type type #		zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
+#dump_modify	2 pad 5
+
+run	        5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.3
+  ghost atom cutoff = 1.3
+  binsize = 0.65, bins = 31 31 31
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke, perpetual
+      attributes: half, newton on, size
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 0.4834 | 0.4834 | 0.4834 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+       0        0            0            0            0            0 
+     100       21   0.54270729   0.54270729   0.26473526 0.0013567682 
+     200       21   0.87606961   0.87606961   0.42735103  0.002190174 
+     300       21    1.1428374    1.1428374   0.55748167 0.0028570936 
+     400       21    1.3543103    1.3543103   0.66829516 0.0033857758 
+     500       21    1.0677786    1.0677786   0.53582407 0.0045048164 
+     600       56    0.6744286    0.6744286    0.3502938 0.0047464584 
+     700       56   0.75569283   0.75569283   0.39779462 0.0051953882 
+     800       56   0.61597505   0.61597505   0.32943642 0.0086022783 
+     900       56   0.65260802   0.65260802   0.34474044 0.0059298996 
+    1000       56   0.51624952   0.51624952   0.28326898 0.0067827337 
+    1100       56   0.46050076   0.46050076   0.25656319 0.0061891094 
+    1200       81   0.39112346   0.39112346   0.21690172 0.0086559316 
+    1300       81   0.33302617   0.33302617   0.19109398 0.0033381104 
+    1400       81    0.3933533    0.3933533   0.21221692  0.004135078 
+    1500       81   0.35495297   0.35495297   0.19925984 0.0037374946 
+    1600       81   0.34150606   0.34150606   0.19025811 0.0053492835 
+    1700      100    0.2561647    0.2561647   0.14186278 0.0090767057 
+    1800      100   0.21124278   0.21124278   0.12154878  0.002854576 
+    1900      100   0.21793955   0.21793955   0.12173867 0.0029049175 
+    2000      100   0.25530858   0.25530858   0.13892272 0.0035528022 
+    2100      100   0.24671805   0.24671805   0.13687782 0.0076812357 
+    2200      100   0.22465212   0.22465212   0.12513612 0.0042526344 
+    2300      100   0.19362805   0.19362805   0.10914275 0.0061175383 
+    2400      100  0.061626039  0.061626039  0.045905953 0.0010393593 
+    2500      100  0.052690575  0.052690575  0.038879745 0.0018543933 
+    2600      100  0.037256691  0.037256691   0.02833916 0.0027683815 
+    2700      100  0.033416362  0.033416362  0.024551243 0.00046725913 
+    2800      100  0.019617758  0.019617758  0.014619416 0.00064550316 
+    2900      100  0.012313874  0.012313874 0.0098188153 0.00033470181 
+    3000      100  0.010948455  0.010948455 0.0087981878 0.00034401243 
+    3100      100  0.009359431  0.009359431 0.0073642412 0.00045497356 
+    3200      100  0.008129885  0.008129885 0.0061460516 0.00029944201 
+    3300      100 0.0050682533 0.0050682533 0.0042692811 0.00026543293 
+    3400      100 0.0031539312 0.0031539312 0.0027256511 0.00012475748 
+    3500      100 0.0023621311 0.0023621311 0.0021691817 0.0001186392 
+    3600      100 0.0018305354 0.0018305354 0.0018004128 0.00015926282 
+    3700      100 0.0016522492 0.0016522492 0.0017231072 0.0002193159 
+    3800      100 0.0011715102 0.0011715102 0.0012739973 0.0001747857 
+    3900      100 0.0010607606 0.0010607606 0.0010974725 0.00012476088 
+    4000      100 0.00087570802 0.00087570802 0.00095828935 6.5544103e-05 
+    4100      100 0.00078598203 0.00078598203 0.00088068743 9.4560761e-05 
+    4200      100 0.00088317454 0.00088317454 0.00092784605 8.1108122e-05 
+    4300      100 0.0015013254 0.0015013254 0.0012069505 8.8289686e-05 
+    4400      100 0.00070054041 0.00070054041 0.00079451193 5.195712e-05 
+    4500      100 0.00096259073 0.00096259073 0.00091232511 3.4895669e-05 
+    4600      100 0.00056641848 0.00056641848 0.00069083146 3.9657253e-05 
+    4700      100 0.0005455099 0.0005455099 0.00064816699 2.8131762e-05 
+    4800      100 0.00048254366 0.00048254366 0.00057192255 4.7914432e-05 
+    4900      100 0.00037108125 0.00037108125 0.00048035333 6.4711817e-05 
+    5000      100 0.00031290399 0.00031290399 0.00042398478 4.6025975e-05 
+Loop time of 0.075416 on 4 procs for 5000 steps with 100 atoms
+
+Performance: 28641126.336 tau/day, 66298.904 timesteps/s
+93.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0022948  | 0.0041364  | 0.0061705  |   2.8 |  5.48
+Neigh   | 0.0043123  | 0.0057145  | 0.0070784  |   1.8 |  7.58
+Comm    | 0.014259   | 0.018658   | 0.024313   |   3.3 | 24.74
+Output  | 0.0011525  | 0.001404   | 0.0015383  |   0.4 |  1.86
+Modify  | 0.0030508  | 0.014543   | 0.026602   |   9.5 | 19.28
+Other   |            | 0.03096    |            |       | 41.05
+
+Nlocal:    25 ave 51 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    5.5 ave 12 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Neighs:    39.75 ave 84 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 159
+Ave neighs/atom = 1.59
+Neighbor list builds = 310
+Dangerous builds = 0
+
+region          container delete
+variable        theta equal (step-5000)*(4.0*PI/5000)
+region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 0 0 1
+run	        5000
+Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+    5000      100 0.00031290399 0.00031290399 0.00042398478 4.4282259e-05 
+    5100      100   0.62661084   0.62661084   0.33840611  0.012020153 
+    5200      100   0.67371678   0.67371678   0.36218522 0.0093514044 
+    5300      100   0.75892331   0.75892331    0.4000747  0.010693252 
+    5400      100   0.86207426   0.86207426   0.44630388  0.013540097 
+    5500      100   0.96205334   0.96205334   0.49432848  0.017375079 
+    5600      100    1.0261194    1.0261194   0.52203912  0.016045333 
+    5700      100    1.0584366    1.0584366   0.53794336  0.018621676 
+    5800      100    1.0881674    1.0881674   0.55300469   0.01930602 
+    5900      100    1.1214233    1.1214233   0.56613492  0.021141141 
+    6000      100    1.1666836    1.1666836   0.58759377  0.017655361 
+    6100      100    1.1785775    1.1785775   0.59365148   0.01829443 
+    6200      100    1.2092305    1.2092305   0.60798809  0.018752443 
+    6300      100    1.2331787    1.2331787   0.62003386  0.020291021 
+    6400      100    1.2561616    1.2561616   0.63143643  0.019899235 
+    6500      100     1.284432     1.284432    0.6460504   0.02083284 
+    6600      100    1.2678801    1.2678801   0.63882384  0.019456553 
+    6700      100    1.2662641    1.2662641   0.63676836  0.020235578 
+    6800      100    1.2785484    1.2785484   0.64129093  0.020335162 
+    6900      100    1.2916608    1.2916608   0.64764298  0.020154225 
+    7000      100    1.2907774    1.2907774   0.64724849  0.020550885 
+    7100      100    1.3074473    1.3074473   0.65460147  0.020847362 
+    7200      100    1.3124592    1.3124592   0.65641332  0.020897348 
+    7300      100    1.3206191    1.3206191   0.66011491  0.021444077 
+    7400      100    1.3273988    1.3273988   0.66350669   0.02129418 
+    7500      100    1.3343911    1.3343911   0.66707269  0.021337376 
+    7600      100    1.3368998    1.3368998   0.66869327  0.021415901 
+    7700      100     1.330658     1.330658   0.66535295  0.021500761 
+    7800      100     1.330801     1.330801   0.66555123  0.022806058 
+    7900      100    1.3392828    1.3392828   0.66926796   0.02194009 
+    8000      100    1.3432728    1.3432728   0.67142337  0.022393719 
+    8100      100    1.3411612    1.3411612   0.66989302  0.022366895 
+    8200      100    1.3427451    1.3427451   0.67054285  0.021966329 
+    8300      100    1.3418147    1.3418147   0.67023132  0.022513459 
+    8400      100     1.346493     1.346493   0.67247837  0.022705366 
+    8500      100    1.3513958    1.3513958    0.6749092  0.022834077 
+    8600      100    1.3520297    1.3520297   0.67506261  0.023227676 
+    8700      100    1.3517157    1.3517157   0.67485073  0.023043414 
+    8800      100    1.3530071    1.3530071   0.67547212  0.022933766 
+    8900      100    1.3550454    1.3550454   0.67657277  0.022744182 
+    9000      100    1.3554069    1.3554069   0.67673505  0.022802134 
+    9100      100    1.3556675    1.3556675   0.67698335  0.022868449 
+    9200      100    1.3534709    1.3534709   0.67600677  0.022537792 
+    9300      100    1.3525103    1.3525103   0.67569499  0.022687849 
+    9400      100    1.3612673    1.3612673   0.67967213  0.022703588 
+    9500      100    1.3649439    1.3649439   0.68147385  0.023498539 
+    9600      100    1.3629376    1.3629376   0.68063814  0.023515579 
+    9700      100    1.3648924    1.3648924   0.68137104  0.023641856 
+    9800      100    1.3662063    1.3662063   0.68196538  0.023576884 
+    9900      100    1.3689695    1.3689695   0.68326751  0.023572622 
+   10000      100    1.3701139    1.3701139   0.68383343  0.023720885 
+Loop time of 0.174251 on 4 procs for 5000 steps with 100 atoms
+
+Performance: 12395939.906 tau/day, 28694.305 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0024631  | 0.010709   | 0.020461   |   8.0 |  6.15
+Neigh   | 0.0078361  | 0.012368   | 0.016955   |   4.0 |  7.10
+Comm    | 0.0059071  | 0.013641   | 0.023547   |   6.6 |  7.83
+Output  | 0.0011749  | 0.0021775  | 0.0030091  |   1.4 |  1.25
+Modify  | 0.015055   | 0.055709   | 0.097013   |  17.2 | 31.97
+Other   |            | 0.07965    |            |       | 45.71
+
+Nlocal:    25 ave 51 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    4.5 ave 10 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Neighs:    49.25 ave 101 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 197
+Ave neighs/atom = 1.97
+Neighbor list builds = 627
+Dangerous builds = 0
+
+region          container delete
+region          container block -6 6 -6 6 -6 6 units box
+run             5000
+Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   10000      100    1.3701139    1.3701139   0.68383343  0.023895921 
+   10100      100   0.25960098   0.25960098   0.15183967 0.0049554084 
+   10200      100   0.15017576   0.15017576   0.10081112 0.0045433238 
+   10300      100   0.10129671   0.10129671  0.078049099 0.0014012658 
+   10400      100   0.06742425   0.06742425  0.055603816 0.0010184792 
+   10500      100  0.053446366  0.053446366  0.045338293 0.00089291689 
+   10600      100  0.041898231  0.041898231  0.036081995 0.00060703885 
+   10700      100   0.03580041   0.03580041  0.031118724 0.00067731964 
+   10800      100  0.030933755  0.030933755  0.026372348 0.00039362325 
+   10900      100  0.027278004  0.027278004  0.022868898 0.0003680788 
+   11000      100  0.021566952  0.021566952  0.017994879 0.0013056062 
+   11100      100  0.019143625  0.019143625  0.015833865 0.00050998112 
+   11200      100  0.015659868  0.015659868  0.013119379 0.00012755696 
+   11300      100  0.013554605  0.013554605   0.01147808 0.00027393437 
+   11400      100   0.01204033   0.01204033  0.010273026 0.00033430792 
+   11500      100  0.010958991  0.010958991 0.0093924566 0.00049023273 
+   11600      100   0.01012553   0.01012553 0.0084556996 0.00021457333 
+   11700      100 0.0083584131 0.0083584131 0.0071118766 7.7149089e-05 
+   11800      100  0.007044883  0.007044883 0.0058675523 0.00036165381 
+   11900      100 0.0059875106 0.0059875106 0.0050610372 7.4095443e-05 
+   12000      100 0.0045180275 0.0045180275 0.0039006565 0.00014607704 
+   12100      100 0.0036631356 0.0036631356 0.0031154279 7.031064e-05 
+   12200      100 0.0034443424 0.0034443424 0.0029190637 0.00020974475 
+   12300      100 0.0030853504 0.0030853504 0.0026315266 3.4873541e-05 
+   12400      100 0.0025451749 0.0025451749 0.0022290833 0.00041551536 
+   12500      100 0.0021624857 0.0021624857 0.0019127734 2.6760761e-05 
+   12600      100 0.0020637862 0.0020637862 0.0018186641 4.9446655e-05 
+   12700      100 0.0019889538 0.0019889538 0.0017604689 3.326943e-05 
+   12800      100 0.0018706349 0.0018706349 0.0016669237 2.3327318e-05 
+   12900      100 0.0017472824 0.0017472824  0.001579469 8.816765e-05 
+   13000      100 0.0016034824 0.0016034824 0.0014549852 3.5407524e-05 
+   13100      100   0.00151798   0.00151798 0.0013826659 1.8754149e-05 
+   13200      100 0.0013049781 0.0013049781 0.0012137907 0.00015263775 
+   13300      100 0.0012270536 0.0012270536 0.0011590841  4.77636e-06 
+   13400      100 0.0011395128 0.0011395128 0.0010860297 2.5606328e-05 
+   13500      100 0.0010858414 0.0010858414 0.0010486713 5.8563931e-05 
+   13600      100 0.0010474389 0.0010474389  0.001015904 1.4319658e-05 
+   13700      100 0.00099241549 0.00099241549 0.00097825038 1.2281142e-05 
+   13800      100 0.00084449252 0.00084449252 0.00084141963 1.0451215e-05 
+   13900      100 0.00084004792 0.00084004792 0.00083755495 3.7174162e-05 
+   14000      100 0.00082183505 0.00082183505 0.00082027058 1.0170209e-05 
+   14100      100 0.00082377076 0.00082377076 0.00080489795 1.181976e-05 
+   14200      100 0.00076903208 0.00076903208 0.00076216608 4.4590341e-05 
+   14300      100 0.00075173269 0.00075173269 0.00074828209 2.2134371e-05 
+   14400      100 0.00074379148 0.00074379148 0.00074072001 1.5746014e-05 
+   14500      100 0.00072454029 0.00072454029 0.0007174429 8.9830398e-06 
+   14600      100 0.00072372648 0.00072372648 0.00071678769 9.1111512e-06 
+   14700      100 0.00071541587 0.00071541587 0.00070893868 7.8446375e-05 
+   14800      100 0.0006820307 0.0006820307 0.00066675502 8.4401299e-06 
+   14900      100 0.00067050627 0.00067050627 0.00065751846 0.0001228548 
+   15000      100 0.00064977132 0.00064977132 0.00062305247 7.8887775e-06 
+Loop time of 0.0746691 on 4 procs for 5000 steps with 100 atoms
+
+Performance: 28927619.905 tau/day, 66962.083 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0021737  | 0.0042608  | 0.0063519  |   3.2 |  5.71
+Neigh   | 0.0012126  | 0.0019009  | 0.0026193  |   1.6 |  2.55
+Comm    | 0.0023425  | 0.0092477  | 0.016876   |   7.2 | 12.38
+Output  | 0.0010619  | 0.0017995  | 0.0030522  |   1.8 |  2.41
+Modify  | 0.00097013 | 0.017151   | 0.03415    |  12.3 | 22.97
+Other   |            | 0.04031    |            |       | 53.98
+
+Nlocal:    25 ave 55 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    3.75 ave 9 max 0 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    42.5 ave 88 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 170
+Ave neighs/atom = 1.7
+Neighbor list builds = 97
+Dangerous builds = 0
+
+region          container delete
+variable        theta equal (step-15000)*(4.0*PI/5000)
+region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 1 1 1
+run	        5000
+Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   15000      100 0.00064977132 0.00064977132 0.00062305247 7.9405607e-06 
+   15100      100    1.0123899    1.0123899   0.66185504  0.014587215 
+   15200      100    1.0332828    1.0332828   0.67443308  0.014002815 
+   15300      100    1.0804076    1.0804076   0.72450056  0.016985272 
+   15400      100    1.2868163    1.2868163    0.8708132  0.022190597 
+   15500      100    1.5180471    1.5180471   0.99613124  0.026761866 
+   15600      100    1.5422016    1.5422016    1.0021746  0.024490139 
+   15700      100    1.7142241    1.7142241    1.0611146    0.0301368 
+   15800      100    1.8747057    1.8747057    1.1207858  0.027612699 
+   15900      100    1.9294819    1.9294819    1.1289025  0.027270228 
+   16000      100     1.953275     1.953275    1.1264475  0.031568811 
+   16100      100    2.0434228    2.0434228    1.1665365  0.026358952 
+   16200      100    2.2129393    2.2129393    1.2448327  0.029613382 
+   16300      100    2.2558224    2.2558224    1.2373264  0.028306021 
+   16400      100     2.367398     2.367398     1.293448  0.029659303 
+   16500      100    2.4221549    2.4221549    1.3198966  0.032541712 
+   16600      100     2.510283     2.510283    1.3618001  0.034740544 
+   16700      100    2.6776293    2.6776293    1.4508262  0.034556341 
+   16800      100    2.8095841    2.8095841    1.5190571  0.035183782 
+   16900      100    2.8485646    2.8485646    1.5344387  0.037153336 
+   17000      100    3.0298285    3.0298285    1.6321623  0.040745906 
+   17100      100    3.0218054    3.0218054    1.6187189  0.042082135 
+   17200      100    3.1981705    3.1981705    1.7090597  0.041770208 
+   17300      100    3.3178559    3.3178559    1.7723201  0.044604756 
+   17400      100    3.3940903    3.3940903    1.8229846  0.049231759 
+   17500      100    3.3274817    3.3274817    1.7870996  0.051649102 
+   17600      100    3.3204358    3.3204358     1.791527  0.043875639 
+   17700      100    3.2185649    3.2185649    1.7480866  0.049941218 
+   17800      100    3.2507826    3.2507826    1.7727758  0.048622479 
+   17900      100    3.2432767    3.2432767    1.7796296  0.044343902 
+   18000      100    3.0841272    3.0841272    1.6978832  0.045344433 
+   18100      100    3.0953909    3.0953909     1.699898  0.040070963 
+   18200      100    3.1405704    3.1405704    1.7316463  0.042528194 
+   18300      100    3.1904871    3.1904871    1.7555188  0.041141165 
+   18400      100    3.3256779    3.3256779    1.8243767  0.043908318 
+   18500      100    3.5161823    3.5161823    1.9150861  0.045165166 
+   18600      100    3.5668273    3.5668273    1.9217975  0.048127705 
+   18700      100    3.6648305    3.6648305    1.9685241  0.051205352 
+   18800      100    3.9000502    3.9000502    2.0886668   0.05262835 
+   18900      100    4.0217758    4.0217758    2.1465498  0.054502839 
+   19000      100    3.8431174    3.8431174    2.0581611  0.054852333 
+   19100      100    4.1721454    4.1721454    2.2221193  0.053831555 
+   19200      100    3.9061181    3.9061181     2.096323  0.058077678 
+   19300      100    4.0191085    4.0191085    2.1408069   0.05475437 
+   19400      100    3.8840871    3.8840871    2.0887677  0.061905092 
+   19500      100    3.8388062    3.8388062    2.0567095  0.051076414 
+   19600      100    3.6331742    3.6331742    1.9574769   0.04748008 
+   19700      100    3.6996954    3.6996954    1.9887285  0.053305043 
+   19800      100    3.8649872    3.8649872    2.0827424  0.060484008 
+   19900      100    3.8305733    3.8305733    2.0700281  0.052926584 
+   20000      100    3.7948463    3.7948463    2.0657301  0.048516953 
+Loop time of 0.156359 on 4 procs for 5000 steps with 100 atoms
+
+Performance: 13814330.011 tau/day, 31977.616 timesteps/s
+94.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0040646  | 0.0058124  | 0.0074518  |   1.6 |  3.72
+Neigh   | 0.014813   | 0.018389   | 0.020829   |   1.6 | 11.76
+Comm    | 0.031892   | 0.034103   | 0.036658   |   1.0 | 21.81
+Output  | 0.0013497  | 0.0019822  | 0.003484   |   2.0 |  1.27
+Modify  | 0.031006   | 0.046878   | 0.056364   |   4.5 | 29.98
+Other   |            | 0.0492     |            |       | 31.46
+
+Nlocal:    25 ave 37 max 10 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+Nghost:    3.75 ave 6 max 2 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+Neighs:    36.25 ave 57 max 9 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+
+Total # of neighbors = 145
+Ave neighs/atom = 1.45
+Neighbor list builds = 921
+Dangerous builds = 0
+
+region          container delete
+region          container block -6 6 -6 6 -6 6 units box
+run             5000
+Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.734 | 5.734 Mbytes
+Step Atoms Temp c_1 c_2 Press 
+   20000      100    3.7948463    3.7948463    2.0657301  0.048381317 
+   20100      100    1.1359931    1.1359931   0.70170151  0.015300556 
+   20200      100   0.87354617   0.87354617   0.55969299  0.012181983 
+   20300      100   0.84424484   0.84424484   0.52849351  0.017724782 
+   20400      100   0.82422562   0.82422562   0.50175766 0.0098154181 
+   20500      100   0.83731289   0.83731289   0.49814627  0.010465327 
+   20600      100   0.93125924   0.93125924   0.53803834  0.011624902 
+   20700      100    1.0810919    1.0810919   0.60974741   0.01425935 
+   20800      100    1.0646343    1.0646343   0.60037545  0.013418132 
+   20900      100    1.0608055    1.0608055   0.58353908  0.015119612 
+   21000      100   0.68173094   0.68173094    0.3941588 0.0099947535 
+   21100      100   0.35407592   0.35407592   0.21306735 0.0043859494 
+   21200      100   0.19247432   0.19247432   0.12989264 0.0031808422 
+   21300      100   0.13493768   0.13493768  0.093987634 0.0025990872 
+   21400      100  0.085735857  0.085735857  0.062091707  0.001434207 
+   21500      100  0.074307566  0.074307566   0.05224051 0.0022163094 
+   21600      100  0.069932382  0.069932382  0.045388838 0.0020296572 
+   21700      100  0.041749712  0.041749712  0.031422931  0.001211155 
+   21800      100   0.03378055   0.03378055  0.026248846 0.0020596463 
+   21900      100  0.030608528  0.030608528  0.022868294 0.0016282878 
+   22000      100  0.025632448  0.025632448  0.019606402 0.0011659657 
+   22100      100  0.013785062  0.013785062  0.011561769 0.00069006322 
+   22200      100  0.013139066  0.013139066  0.010559726 0.00038424576 
+   22300      100   0.01455318   0.01455318  0.011094558 0.00054735929 
+   22400      100 0.0096885414 0.0096885414  0.008012617 0.00055875777 
+   22500      100 0.0081193116 0.0081193116  0.006802973 0.00052914932 
+   22600      100 0.0057159621 0.0057159621 0.0048680253 0.00054864875 
+   22700      100 0.0052344376 0.0052344376 0.0045511708 0.00026333033 
+   22800      100 0.0054554177 0.0054554177 0.0045005479 0.0002085972 
+   22900      100 0.0039455776 0.0039455776 0.0035287888 0.00022514017 
+   23000      100 0.0042620461 0.0042620461 0.0035747729 0.00020030999 
+   23100      100 0.0035303095 0.0035303095 0.0031995108 0.00016007298 
+   23200      100 0.0029747457 0.0029747457 0.0027095904 0.00029775807 
+   23300      100 0.0032404433 0.0032404433  0.002769389 0.00019627995 
+   23400      100 0.0024965262 0.0024965262 0.0022343473 0.00018870133 
+   23500      100   0.00251617   0.00251617 0.0022533604 0.0002661237 
+   23600      100 0.0025923653 0.0025923653 0.0022887204 0.00018475201 
+   23700      100 0.0023016545 0.0023016545 0.0019829032 0.00014888334 
+   23800      100 0.0028358441 0.0028358441 0.0021790504 0.00064613131 
+   23900      100 0.0016682403 0.0016682403 0.0014930521 8.8407075e-05 
+   24000      100 0.0016341577 0.0016341577 0.0014597606 0.00011262081 
+   24100      100 0.0015433636 0.0015433636 0.0013981581 8.364568e-05 
+   24200      100 0.0015033978 0.0015033978 0.0013582013 8.4539006e-05 
+   24300      100 0.0014513098 0.0014513098 0.0012943981 0.00010546194 
+   24400      100 0.0013293352 0.0013293352  0.001206366 8.4967509e-05 
+   24500      100 0.0013732518 0.0013732518  0.001202532 0.00014787559 
+   24600      100 0.00091890041 0.00091890041 0.00084499923 0.00010080638 
+   24700      100 0.00083467915 0.00083467915 0.00077071316 5.3934025e-05 
+   24800      100 0.00080701934 0.00080701934 0.0007477161 5.3982095e-05 
+   24900      100 0.00080620771 0.00080620771 0.0007471026 5.3581294e-05 
+   25000      100 0.00080568604 0.00080568604 0.00074625735 5.3574637e-05 
+Loop time of 0.0792506 on 4 procs for 5000 steps with 100 atoms
+
+Performance: 27255302.560 tau/day, 63090.978 timesteps/s
+95.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0023611  | 0.0047854  | 0.0077851  |   3.4 |  6.04
+Neigh   | 0.0042653  | 0.005571   | 0.0067258  |   1.5 |  7.03
+Comm    | 0.0077977  | 0.013373   | 0.019515   |   4.4 | 16.87
+Output  | 0.0010924  | 0.0017727  | 0.0030222  |   1.8 |  2.24
+Modify  | 0.0023608  | 0.015964   | 0.030545   |  10.5 | 20.14
+Other   |            | 0.03778    |            |       | 47.68
+
+Nlocal:    25 ave 50 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    5 ave 10 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    35.75 ave 78 max 0 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 143
+Ave neighs/atom = 1.43
+Neighbor list builds = 287
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/granregion/log.27Nov18.granregion.funnel.g++.1 b/examples/granregion/log.27Nov18.granregion.funnel.g++.1
new file mode 100644
index 0000000000..0268ed000a
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.funnel.g++.1
@@ -0,0 +1,601 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# pour particles into cone-shaped funnel, settle them, let them run out bottom
+
+variable	name string funnel_pour
+
+thermo_modify	flush yes
+units 		si
+variable	PI equal 3.141592653589
+variable	seed equal 14314
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	xlo equal 10
+variable	xhi equal 40
+variable	ylo equal 10
+variable	yhi equal 40
+variable	zlo equal -20
+variable	zhi equal 50
+
+variable	xc equal 25
+variable	yc equal 25
+
+variable	zconehi equal 50
+variable	zconelo equal 10
+variable	zcyllo equal 0
+variable	radconelo equal 2
+variable	radconehi equal 20
+
+################################################
+# Particle sizes
+################################################
+
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable 	skin equal ${rhi}
+variable 	skin equal 0.5
+
+###############################################
+# Granular contact parameters
+###############################################
+
+variable	coeffRes equal 0.1
+variable	coeffFric equal 0.5
+
+variable	density equal 1.0
+variable	EYoung equal 10^5
+variable 	Poisson equal 2.0/7.0
+variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
+variable	GShear equal 100000/(2*(1+${Poisson}))
+variable	GShear equal 100000/(2*(1+0.285714285714286))
+
+variable	gravity equal 1.0
+
+variable	reff equal 0.5*(${rhi}+${rlo})
+variable	reff equal 0.5*(0.5+${rlo})
+variable	reff equal 0.5*(0.5+0.25)
+variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
+variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
+variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
+variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
+variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
+variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
+
+## Typical way to set kn, kt, etc.:
+variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
+variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
+variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
+variable        kt equal 4.0*${GShear}/(2-${Poisson})
+variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
+variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)
+
+variable	a equal (-2.0*log(${coeffRes})/${PI})^2
+variable	a equal (-2.0*log(0.1)/${PI})^2
+variable	a equal (-2.0*log(0.1)/3.141592653589)^2
+variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
+variable        gamma_t equal ${gamma_n}*0.5
+variable        gamma_t equal 903.503751814138*0.5
+
+variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
+
+variable	dt equal ${tcol}*0.05
+variable	dt equal 0.00210943016014969*0.05
+timestep	${dt}
+timestep	0.000105471508007485
+
+###############################################
+variable	dumpfreq equal 1000
+variable	logfreq equal 1000
+
+newton 		off
+atom_style	sphere
+
+boundary	p p f
+
+region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 10 40 ${zlo} ${zhi}
+region		boxreg block 10 40 10 40 -20 ${zhi}
+region		boxreg block 10 40 10 40 -20 50
+create_box	1 boxreg
+Created orthogonal box = (10 10 -20) to (40 40 50)
+  1 by 1 by 1 MPI processor grid
+
+pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
+pair_coeff	* *
+
+neighbor        ${skin} bin
+neighbor        0.5 bin
+thermo 		${logfreq}
+thermo 		1000
+
+comm_style	brick
+comm_modify 	mode multi group all vel yes
+balance		1.1 shift xyz 20 1.1
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0
+  ghost atom cutoff = 0
+  binsize = 30, bins = 1 1 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+fix		bal all balance 10000 1.1 shift xyz 20 1.01
+
+####################### Options specific to pouring #########################
+
+# insertion region for fix/pour
+
+region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
+region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
+region	     	insreg cylinder z 25 25 10 30 50 side in units box
+
+# define cone and cylinder regions - see lammps doc on region command
+# note new open options
+
+region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
+region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 
+
+region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
+region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 
+
+region		hopreg union 2 conereg cylreg
+
+fix		grav all gravity ${gravity} vector 0 0 -1
+fix		grav all gravity 1 vector 0 0 -1
+fix		1 all nve/sphere
+
+
+fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
+
+fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
+Particle insertion: 3000 every 59965 steps, 2000 by step 1
+
+#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z
+
+#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
+#dump_modify	2 pad 6
+
+thermo_style	custom step cpu atoms ke
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
+thermo_modify	flush yes lost warn
+
+# Initial run to fill up the cone
+
+run		20000
+Per MPI rank memory allocation (min/avg/max) = 6.649 | 6.649 | 6.649 Mbytes
+Step CPU Atoms KinEng 
+       0            0        0           -0 
+    1000   0.63593698     2000           -0 
+    2000    1.0282419     2000           -0 
+    3000    1.4184453     2000           -0 
+    4000    1.8055785     2000           -0 
+    5000    2.1941335     2000           -0 
+    6000    2.5804653     2000           -0 
+    7000    2.9660621     2000           -0 
+    8000    3.3506265     2000           -0 
+    9000    3.7344413     2000           -0 
+   10000    4.1212304     2000           -0 
+   11000    4.5044594     2000           -0 
+   12000    4.8875456     2000           -0 
+   13000    5.2698007     2000           -0 
+   14000    5.6527214     2000           -0 
+   15000    6.0349295     2000           -0 
+   16000    6.4172938     2000           -0 
+   17000    6.8001184     2000           -0 
+   18000    7.1826644     2000           -0 
+   19000    7.5654378     2000           -0 
+   20000    7.9511659     2000           -0 
+Loop time of 7.95118 on 1 procs for 20000 steps with 2000 atoms
+
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.6189     | 0.6189     | 0.6189     |   0.0 |  7.78
+Neigh   | 0.09361    | 0.09361    | 0.09361    |   0.0 |  1.18
+Comm    | 0.016098   | 0.016098   | 0.016098   |   0.0 |  0.20
+Output  | 0.00048828 | 0.00048828 | 0.00048828 |   0.0 |  0.01
+Modify  | 6.9973     | 6.9973     | 6.9973     |   0.0 | 88.00
+Other   |            | 0.2248     |            |       |  2.83
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1537 ave 1537 max 1537 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1537
+Ave neighs/atom = 0.7685
+Neighbor list builds = 69
+Dangerous builds = 0
+unfix 		ins
+run		150000
+Per MPI rank memory allocation (min/avg/max) = 12.77 | 12.77 | 12.77 Mbytes
+Step CPU Atoms KinEng 
+   20000            0     2000    6443.7665 
+   21000    0.3826313     2000    6572.3531 
+   22000   0.76688981     2000    6723.8376 
+   23000    1.1534231     2000    6853.1812 
+   24000    1.5391715     2000    6976.0209 
+   25000    1.9263508     2000    7096.9955 
+   26000    2.3168406     2000    7215.5795 
+   27000    2.7065961     2000    7349.2382 
+   28000     3.096664     2000    7471.8719 
+   29000    3.4905531     2000    7574.8228 
+   30000    3.8877606     2000    7659.3836 
+   31000    4.2839894     2000    7703.6856 
+   32000    4.6859732     2000     7644.279 
+   33000    5.0932801     2000    7526.6944 
+   34000    5.5045564     2000    7370.0821 
+   35000    5.9206297     2000    7193.0457 
+   36000     6.343729     2000    6990.9899 
+   37000    6.7719142     2000    6849.2841 
+   38000    7.2016783     2000    6701.7433 
+   39000    7.6354482     2000    6538.9557 
+   40000     8.078445     2000    6381.9346 
+   41000    8.5191586     2000    6217.5253 
+   42000    8.9630713     2000    6093.5344 
+   43000    9.4097741     2000    5943.0479 
+   44000    9.8652256     2000    5841.0782 
+   45000    10.331057     2000    5652.8319 
+   46000    10.803253     2000    5476.1466 
+   47000    11.278766     2000    5267.7855 
+   48000    11.759121     2000    5131.4036 
+   49000    12.248896     2000    4972.7696 
+   50000    12.747719     2000    4867.0868 
+   51000    13.246704     2000     4681.897 
+   52000    13.757842     2000    4506.8185 
+   53000    14.276078     2000    4346.8045 
+   54000    14.795933     2000    4193.8194 
+   55000    15.311241     2000    4058.2049 
+   56000    15.828737     2000    3879.0325 
+   57000    16.359453     2000    3696.3154 
+   58000    16.905406     2000    3504.0399 
+   59000    17.460454     2000    3284.6522 
+   60000    18.027276     2000    3061.0727 
+   61000    18.586931     2000    2874.2926 
+   62000    19.158563     2000    2653.0722 
+   63000    19.738442     2000    2437.4941 
+   64000    20.331411     2000    2124.1876 
+   65000    20.936204     2000    1864.5661 
+   66000    21.547443     2000    1610.2335 
+   67000    22.166888     2000    1390.0428 
+   68000    22.789106     2000    1163.7679 
+   69000    23.416016     2000     933.0928 
+   70000    24.038879     2000    745.66667 
+   71000    24.663115     2000    605.58458 
+   72000    25.294193     2000    444.31183 
+   73000    25.932019     2000    357.19162 
+   74000    26.568184     2000    291.16762 
+   75000    27.203393     2000    230.58362 
+   76000    27.836079     2000    197.59502 
+   77000    28.467344     2000    166.55702 
+   78000    29.099997     2000    139.89052 
+   79000    29.741694     2000     117.1145 
+   80000    30.388097     2000    100.12353 
+   81000    31.036193     2000    85.233155 
+   82000    31.688463     2000    71.145302 
+   83000    32.343411     2000    61.545348 
+   84000    32.999346     2000    54.099358 
+   85000    33.652976     2000    46.922028 
+   86000    34.306931     2000    41.606645 
+   87000    34.967787     2000    37.462793 
+   88000    35.633721     2000    33.698298 
+   89000    36.310035     2000    29.340455 
+   90000    36.995441     2000    26.072122 
+   91000     37.67904     2000     23.20848 
+   92000    38.367699     2000    21.015862 
+   93000    39.058641     2000    20.134175 
+   94000    39.749342     2000    19.196075 
+   95000    40.442651     2000    18.285127 
+   96000    41.140177     2000    17.476411 
+   97000    41.840761     2000     16.55882 
+   98000    42.543845     2000    15.444541 
+   99000    43.256415     2000     14.41642 
+  100000     43.97382     2000    13.818738 
+  101000    44.684596     2000    12.878373 
+  102000    45.401082     2000     12.11804 
+  103000    46.120936     2000    11.016885 
+  104000     46.83935     2000    10.531044 
+  105000    47.559419     2000     10.46735 
+  106000    48.286016     2000    10.246007 
+  107000    49.012266     2000    9.6423041 
+  108000     49.74013     2000    9.3948808 
+  109000    50.471961     2000    9.5178141 
+  110000    51.206152     2000    9.4143884 
+  111000    51.939123     2000    9.5058226 
+  112000    52.673443     2000    9.6911516 
+  113000    53.410485     2000    9.7756849 
+  114000    54.152537     2000    9.3876232 
+  115000    54.891784     2000    8.6725333 
+  116000    55.631474     2000    8.6691065 
+  117000    56.371762     2000    8.0156055 
+  118000    57.110131     2000    7.9150786 
+  119000      57.8533     2000    7.5310892 
+  120000    58.599064     2000    7.2940498 
+  121000    59.340753     2000    6.8347898 
+  122000    60.084676     2000     6.696484 
+  123000    60.826952     2000    6.7799146 
+  124000    61.569413     2000    6.7901567 
+  125000    62.316334     2000    6.7532108 
+  126000    63.061374     2000     6.762162 
+  127000    63.806385     2000    6.6317366 
+  128000    64.555969     2000    6.8246399 
+  129000    65.308131     2000    6.9130358 
+  130000    66.060967     2000    7.1750566 
+  131000    66.809725     2000    6.9507379 
+  132000    67.559796     2000    6.7987445 
+  133000    68.314249     2000    6.8535775 
+  134000    69.065513     2000    7.0255144 
+  135000    69.817604     2000    6.7381064 
+  136000    70.572079     2000    6.5567748 
+  137000    71.324444     2000    6.2655395 
+  138000    72.079147     2000    6.1923013 
+  139000    72.831323     2000    6.0958081 
+  140000     73.59117     2000    5.9185709 
+  141000    74.343753     2000    5.9151241 
+  142000    75.096509     2000    5.4743035 
+  143000    75.852151     2000     5.438642 
+  144000    76.605005     2000    4.6646664 
+  145000    77.357571     2000    4.6899837 
+  146000    78.113125     2000    4.5357917 
+  147000    78.867751     2000    4.5993842 
+  148000    79.625344     2000    4.7076884 
+  149000     80.37992     2000    4.8306642 
+  150000    81.143175     2000    4.8282147 
+  151000    81.899326     2000     4.546308 
+  152000    82.658645     2000    4.6700755 
+  153000     83.41837     2000    4.7557633 
+  154000     84.17509     2000    4.9004538 
+  155000    84.934161     2000    5.0552949 
+  156000    85.695466     2000    4.0672495 
+  157000    86.453115     2000    3.5819543 
+  158000    87.212663     2000    3.3533477 
+  159000    87.967768     2000    3.3281001 
+  160000    88.729631     2000    3.0831743 
+  161000    89.498983     2000    3.0519269 
+  162000    90.259424     2000    3.0951675 
+  163000    91.019656     2000    2.9868352 
+  164000    91.776359     2000    2.9195788 
+  165000    92.536374     2000    2.5637813 
+  166000    93.296332     2000    2.5553272 
+  167000     94.05653     2000    2.0752912 
+  168000    94.814559     2000    1.9689845 
+  169000    95.576005     2000    1.9117916 
+  170000    96.337863     2000    1.8568914 
+Loop time of 96.3379 on 1 procs for 150000 steps with 2000 atoms
+
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 37.121     | 37.121     | 37.121     |   0.0 | 38.53
+Neigh   | 0.8454     | 0.8454     | 0.8454     |   0.0 |  0.88
+Comm    | 0.11506    | 0.11506    | 0.11506    |   0.0 |  0.12
+Output  | 0.004431   | 0.004431   | 0.004431   |   0.0 |  0.00
+Modify  | 56.517     | 56.517     | 56.517     |   0.0 | 58.67
+Other   |            | 1.735      |            |       |  1.80
+
+Nlocal:    2000 ave 2000 max 2000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    15524 ave 15524 max 15524 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 15524
+Ave neighs/atom = 7.762
+Neighbor list builds = 388
+Dangerous builds = 0
+
+# remove "plug" - need to redefine cylinder region & union
+
+region	  	cylreg delete
+region		hopreg delete
+region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
+region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 
+
+region		hopreg union 2 cylreg conereg
+
+unfix		hopper3
+fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
+
+run		100000
+Per MPI rank memory allocation (min/avg/max) = 18.64 | 18.64 | 18.64 Mbytes
+Step CPU Atoms KinEng 
+  170000            0     2000    1.8568914 
+  171000   0.75704765     2000    2.4011583 
+  172000    1.5101345     2000     3.176628 
+  173000    2.2556529     2000    4.5364486 
+  174000    2.9946566     2000    6.5494125 
+  175000    3.7253478     2000    9.1934319 
+  176000    4.4570525     2000     12.25765 
+  177000    5.1876664     2000    15.799657 
+  178000    5.9178619     2000    19.982558 
+  179000    6.6439464     2000    24.927165 
+  180000    7.3749168     2000    30.428362 
+  181000    8.1011977     2000     36.74232 
+  182000    8.8207343     2000    43.820448 
+  183000    9.5397925     2000    50.903222 
+  184000    10.253098     2000    59.425781 
+  185000    10.965505     2000    69.143119 
+  186000    11.673319     2000    79.210705 
+  187000    12.373966     2000    90.411346 
+  188000    13.075475     2000    102.35389 
+  189000    13.770632     2000    114.93888 
+  190000    14.469445     2000    128.63341 
+  191000    15.158381     2000    143.44526 
+  192000    15.846267     2000    159.04574 
+  193000    16.527754     2000     174.3114 
+  194000    17.204808     2000    190.42123 
+  195000    17.881059     2000    207.70459 
+  196000    18.556555     2000    224.90931 
+  197000    19.229818     2000    242.64914 
+  198000    19.905086     2000    261.48312 
+  199000    20.578518     2000    281.28308 
+  200000     21.25632     2000    302.95108 
+  201000    21.921347     2000    325.95534 
+  202000    22.583873     2000     350.6874 
+  203000    23.244724     2000    376.31773 
+  204000    23.904842     2000    404.21947 
+  205000    24.562788     2000    432.96116 
+  206000    25.217762     2000     462.4113 
+  207000    25.875814     2000    491.91207 
+  208000    26.531285     2000    522.15395 
+  209000    27.184766     2000     553.1024 
+  210000    27.842961     2000     585.7133 
+  211000    28.489339     2000    619.96357 
+  212000    29.139612     2000    653.96189 
+  213000    29.783866     2000     689.8027 
+  214000    30.426881     2000    727.28401 
+  215000     31.06706     2000    766.40354 
+  216000    31.706399     2000    805.65433 
+  217000    32.343033     2000    845.40981 
+  218000    32.989384     2000    884.24637 
+  219000    33.633664     2000     923.5998 
+  220000    34.285172     2000    965.01779 
+  221000    34.931959     2000    1009.1763 
+  222000    35.571624     2000    1054.7789 
+  223000    36.207868     2000    1101.9922 
+  224000    36.836062     2000    1151.1205 
+  225000    37.464514     2000    1201.3979 
+  226000     38.09746     2000    1252.4054 
+  227000    38.732507     1999    1296.6784 
+  228000    39.371367     1997    1342.3466 
+  229000    40.012553     1992    1368.8559 
+  230000    40.652111     1977    1360.2259 
+  231000    41.275478     1965    1340.3793 
+  232000    41.892734     1953    1318.8318 
+  233000     42.50588     1938    1295.5667 
+  234000    43.121427     1924    1270.0641 
+  235000    43.740727     1914     1258.296 
+  236000    44.359241     1902    1224.3945 
+  237000    44.979463     1899    1248.3905 
+  238000    45.597358     1885    1206.9229 
+  239000    46.210114     1875    1195.5429 
+  240000    46.818148     1861    1142.6591 
+  241000    47.411079     1851    1131.5523 
+  242000    48.002522     1841    1116.8741 
+  243000    48.594254     1830    1099.9978 
+  244000    49.191798     1822    1078.6068 
+  245000    49.791332     1814    1072.1498 
+  246000    50.389728     1803    1020.7842 
+  247000    50.984212     1794    1000.1936 
+  248000    51.571047     1781    942.02462 
+  249000    52.149428     1772    916.83697 
+  250000    52.726202     1758    825.10751 
+  251000     53.29913     1748    789.06351 
+  252000    53.871912     1739    753.92258 
+  253000    54.441009     1729    697.83686 
+  254000    55.010203     1718    648.98541 
+  255000    55.573602     1710    620.38129 
+  256000    56.134709     1705    622.43466 
+  257000    56.701827     1700    595.79102 
+  258000    57.264463     1698    608.49223 
+  259000    57.827817     1695     614.0119 
+  260000    58.398994     1690    601.50438 
+  261000    58.964611     1687     608.5892 
+  262000    59.526765     1683    597.07884 
+  263000    60.082729     1682    618.65041 
+  264000    60.640105     1678    615.47784 
+  265000    61.195717     1675    605.27658 
+  266000    61.751087     1671    583.69853 
+  267000    62.305546     1669    600.11043 
+  268000     62.86105     1666    598.79807 
+  269000    63.417551     1663    588.40338 
+  270000    63.974486     1660    579.59387 
+Loop time of 63.9745 on 1 procs for 100000 steps with 1660 atoms
+
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 26.514     | 26.514     | 26.514     |   0.0 | 41.44
+Neigh   | 0.60324    | 0.60324    | 0.60324    |   0.0 |  0.94
+Comm    | 0.075881   | 0.075881   | 0.075881   |   0.0 |  0.12
+Output  | 0.0029137  | 0.0029137  | 0.0029137  |   0.0 |  0.00
+Modify  | 35.686     | 35.686     | 35.686     |   0.0 | 55.78
+Other   |            | 1.092      |            |       |  1.71
+
+Nlocal:    1660 ave 1660 max 1660 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    11681 ave 11681 max 11681 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 11681
+Ave neighs/atom = 7.03675
+Neighbor list builds = 249
+Dangerous builds = 0
+Total wall time: 0:02:48
diff --git a/examples/granregion/log.27Nov18.granregion.funnel.g++.4 b/examples/granregion/log.27Nov18.granregion.funnel.g++.4
new file mode 100644
index 0000000000..67c307d212
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.funnel.g++.4
@@ -0,0 +1,601 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+# pour particles into cone-shaped funnel, settle them, let them run out bottom
+
+variable	name string funnel_pour
+
+thermo_modify	flush yes
+units 		si
+variable	PI equal 3.141592653589
+variable	seed equal 14314
+
+###############################################
+# Geometry-related parameters
+###############################################
+
+variable	xlo equal 10
+variable	xhi equal 40
+variable	ylo equal 10
+variable	yhi equal 40
+variable	zlo equal -20
+variable	zhi equal 50
+
+variable	xc equal 25
+variable	yc equal 25
+
+variable	zconehi equal 50
+variable	zconelo equal 10
+variable	zcyllo equal 0
+variable	radconelo equal 2
+variable	radconehi equal 20
+
+################################################
+# Particle sizes
+################################################
+
+variable	rlo equal 0.25
+variable	rhi equal 0.5
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.25
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.5
+
+variable 	skin equal ${rhi}
+variable 	skin equal 0.5
+
+###############################################
+# Granular contact parameters
+###############################################
+
+variable	coeffRes equal 0.1
+variable	coeffFric equal 0.5
+
+variable	density equal 1.0
+variable	EYoung equal 10^5
+variable 	Poisson equal 2.0/7.0
+variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
+variable	GShear equal 100000/(2*(1+${Poisson}))
+variable	GShear equal 100000/(2*(1+0.285714285714286))
+
+variable	gravity equal 1.0
+
+variable	reff equal 0.5*(${rhi}+${rlo})
+variable	reff equal 0.5*(0.5+${rlo})
+variable	reff equal 0.5*(0.5+0.25)
+variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
+variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
+variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
+variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
+variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
+variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
+variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
+variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
+
+## Typical way to set kn, kt, etc.:
+variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
+variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
+variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
+variable        kt equal 4.0*${GShear}/(2-${Poisson})
+variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
+variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)
+
+variable	a equal (-2.0*log(${coeffRes})/${PI})^2
+variable	a equal (-2.0*log(0.1)/${PI})^2
+variable	a equal (-2.0*log(0.1)/3.141592653589)^2
+variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
+variable        gamma_t equal ${gamma_n}*0.5
+variable        gamma_t equal 903.503751814138*0.5
+
+variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
+variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
+
+variable	dt equal ${tcol}*0.05
+variable	dt equal 0.00210943016014969*0.05
+timestep	${dt}
+timestep	0.000105471508007485
+
+###############################################
+variable	dumpfreq equal 1000
+variable	logfreq equal 1000
+
+newton 		off
+atom_style	sphere
+
+boundary	p p f
+
+region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
+region		boxreg block 10 40 10 40 ${zlo} ${zhi}
+region		boxreg block 10 40 10 40 -20 ${zhi}
+region		boxreg block 10 40 10 40 -20 50
+create_box	1 boxreg
+Created orthogonal box = (10 10 -20) to (40 40 50)
+  1 by 1 by 4 MPI processor grid
+
+pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
+pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
+pair_coeff	* *
+
+neighbor        ${skin} bin
+neighbor        0.5 bin
+thermo 		${logfreq}
+thermo 		1000
+
+comm_style	brick
+comm_modify 	mode multi group all vel yes
+balance		1.1 shift xyz 20 1.1
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0
+  ghost atom cutoff = 0
+  binsize = 30, bins = 1 1 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+fix		bal all balance 10000 1.1 shift xyz 20 1.01
+
+####################### Options specific to pouring #########################
+
+# insertion region for fix/pour
+
+region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
+region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
+region	     	insreg cylinder z 25 25 10 30 50 side in units box
+
+# define cone and cylinder regions - see lammps doc on region command
+# note new open options
+
+region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
+region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
+region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 
+
+region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
+region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
+region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 
+
+region		hopreg union 2 conereg cylreg
+
+fix		grav all gravity ${gravity} vector 0 0 -1
+fix		grav all gravity 1 vector 0 0 -1
+fix		1 all nve/sphere
+
+
+fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
+
+fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
+fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
+Particle insertion: 3000 every 59965 steps, 2000 by step 1
+
+#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z
+
+#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
+#dump_modify	2 pad 6
+
+thermo_style	custom step cpu atoms ke
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
+thermo_modify	flush yes lost warn
+
+# Initial run to fill up the cone
+
+run		20000
+Per MPI rank memory allocation (min/avg/max) = 6.05 | 6.05 | 6.05 Mbytes
+Step CPU Atoms KinEng 
+       0            0        0           -0 
+    1000   0.63366675     2000           -0 
+    2000    1.0221362     2000           -0 
+    3000    1.3905275     2000           -0 
+    4000    1.7514329     2000           -0 
+    5000    2.1040537     2000           -0 
+    6000    2.4468088     2000           -0 
+    7000    2.7853072     2000           -0 
+    8000    3.1109948     2000           -0 
+    9000    3.4281557     2000           -0 
+   10000    3.7435207     2000           -0 
+   11000    3.8612552     2000           -0 
+   12000    3.9786677     2000           -0 
+   13000    4.0988154     2000           -0 
+   14000    4.2249811     2000           -0 
+   15000    4.3562138     2000           -0 
+   16000    4.4940333     2000           -0 
+   17000    4.6394637     2000           -0 
+   18000    4.7909062     2000           -0 
+   19000    4.9482198     2000           -0 
+   20000    5.1116607     2000           -0 
+Loop time of 5.11176 on 4 procs for 20000 steps with 2000 atoms
+
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.050997   | 0.14884    | 0.36048    |  32.0 |  2.91
+Neigh   | 0.01374    | 0.025199   | 0.043743   |   7.0 |  0.49
+Comm    | 0.063387   | 0.1781     | 0.29748    |  22.6 |  3.48
+Output  | 0.0016627  | 0.0060938  | 0.015082   |   6.8 |  0.12
+Modify  | 1.1198     | 1.987      | 3.7195     |  72.6 | 38.87
+Other   |            | 2.767      |            |       | 54.12
+
+Nlocal:    500 ave 505 max 493 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+Nghost:    159.25 ave 254 max 71 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+Neighs:    397.5 ave 616 max 214 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 1590
+Ave neighs/atom = 0.795
+Neighbor list builds = 69
+Dangerous builds = 0
+unfix 		ins
+run		150000
+Per MPI rank memory allocation (min/avg/max) = 12.37 | 12.51 | 12.7 Mbytes
+Step CPU Atoms KinEng 
+   20000            0     2000    6443.7665 
+   21000   0.11261106     2000    6572.3531 
+   22000   0.23091817     2000    6723.8376 
+   23000   0.35577631     2000    6853.1812 
+   24000   0.48790455     2000    6976.0209 
+   25000   0.63509274     2000    7096.9955 
+   26000   0.78251743     2000    7215.5795 
+   27000   0.93707466     2000    7349.2382 
+   28000    1.1032445     2000    7471.8719 
+   29000    1.2721858     2000    7574.8228 
+   30000     1.449265     2000    7659.3836 
+   31000    1.5742557     2000    7703.6856 
+   32000    1.7076068     2000     7644.279 
+   33000    1.8527873     2000    7526.6944 
+   34000     2.009855     2000    7370.0821 
+   35000    2.1766446     2000    7193.0459 
+   36000    2.3557482     2000    6990.9912 
+   37000    2.5468907     2000     6849.286 
+   38000    2.7480681     2000    6701.7548 
+   39000    2.9574037     2000    6538.6915 
+   40000    3.1807711     2000    6382.3209 
+   41000    3.3486595     2000     6216.424 
+   42000    3.5162592     2000      6091.29 
+   43000     3.687057     2000    5945.3256 
+   44000    3.8662596     2000     5840.875 
+   45000    4.0557241     2000     5649.763 
+   46000    4.2541051     2000    5476.2837 
+   47000    4.4571214     2000    5277.0701 
+   48000    4.6628008     2000    5123.9796 
+   49000    4.8686502     2000    4968.3344 
+   50000    5.0788848     2000    4869.5754 
+   51000    5.2552598     2000    4704.8517 
+   52000    5.4428713     2000    4522.8978 
+   53000    5.6520596     2000    4393.8047 
+   54000    5.8613031     2000     4235.438 
+   55000    6.0776098     2000    4082.3073 
+   56000    6.2998042     2000    3901.0483 
+   57000    6.5321434     2000    3718.0882 
+   58000    6.7745438     2000     3504.621 
+   59000    7.0237701     2000    3285.7484 
+   60000    7.2791855     2000    3047.3386 
+   61000     7.489058     2000    2875.4032 
+   62000    7.7044094     2000      2647.83 
+   63000    7.9194827     2000    2396.5343 
+   64000    8.1429474     2000    2107.2113 
+   65000    8.3745618     2000    1858.1977 
+   66000     8.610673     2000    1615.8096 
+   67000    8.8505244     2000    1416.5065 
+   68000    9.0955915     2000    1206.8534 
+   69000    9.3609676     2000    953.93974 
+   70000    9.6382594     2000     766.9148 
+   71000    9.8719468     2000    611.45063 
+   72000    10.095534     2000    464.94805 
+   73000    10.317962     2000    364.31415 
+   74000    10.547287     2000    298.77524 
+   75000    10.764052     2000    245.73022 
+   76000    10.978769     2000     207.8035 
+   77000    11.199921     2000     179.1305 
+   78000    11.410296     2000    151.21032 
+   79000    11.624499     2000    124.49675 
+   80000    11.849562     2000    106.71504 
+   81000    12.077449     2000    93.299034 
+   82000    12.306904     2000    81.220408 
+   83000    12.539016     2000    67.383955 
+   84000    12.773108     2000    57.287165 
+   85000    13.009487     2000    49.255887 
+   86000    13.252544     2000    44.082536 
+   87000    13.502564     2000    40.193574 
+   88000    13.747198     2000    36.903867 
+   89000    13.993028     2000     33.55332 
+   90000    14.240036     2000    30.730912 
+   91000    14.472719     2000    28.650574 
+   92000    14.708542     2000    26.377609 
+   93000    14.948106     2000    24.433165 
+   94000    15.186653     2000    22.933076 
+   95000    15.428022     2000     22.31788 
+   96000    15.676323     2000    20.829124 
+   97000    15.916326     2000    19.401354 
+   98000    16.160197     2000    18.943699 
+   99000    16.404796     2000    17.690599 
+  100000    16.659731     2000    17.215943 
+  101000    16.904498     2000    15.948087 
+  102000    17.150993     2000    15.140324 
+  103000     17.39584     2000    14.885674 
+  104000    17.643707     2000    14.414752 
+  105000    17.889343     2000    14.270676 
+  106000    18.136159     2000    13.943799 
+  107000    18.383653     2000    13.840145 
+  108000    18.630952     2000    12.826341 
+  109000    18.878218     2000    12.209012 
+  110000    19.125558     2000    11.916194 
+  111000      19.3726     2000    11.970849 
+  112000    19.621494     2000     11.56909 
+  113000    19.869978     2000    11.390562 
+  114000    20.123402     2000    11.276545 
+  115000    20.370963     2000    11.171298 
+  116000    20.619975     2000    11.686225 
+  117000    20.869585     2000    11.379805 
+  118000    21.118875     2000    10.539511 
+  119000     21.36837     2000    10.064595 
+  120000    21.629511     2000    10.003722 
+  121000    21.877867     2000    9.6974586 
+  122000    22.127922     2000    9.7156209 
+  123000    22.378215     2000     9.615256 
+  124000    22.630463     2000    8.8979008 
+  125000    22.882154     2000    8.2220003 
+  126000    23.135763     2000    8.3153866 
+  127000    23.392389     2000    8.0945497 
+  128000    23.645521     2000    7.8942467 
+  129000     23.89965     2000    7.4794776 
+  130000    24.153195     2000    7.3635341 
+  131000    24.406239     2000    7.5757743 
+  132000     24.66016     2000    7.7047492 
+  133000    24.914093     2000    8.0142133 
+  134000    25.173429     2000    8.1716714 
+  135000    25.433318     2000    7.7803343 
+  136000    25.692997     2000    6.3545482 
+  137000    25.947787     2000     6.313769 
+  138000    26.200427     2000    6.4948596 
+  139000    26.452514     2000    6.6183259 
+  140000    26.714963     2000    6.7922281 
+  141000    26.968235     2000    7.0752448 
+  142000    27.220962     2000    7.2328717 
+  143000    27.474819     2000     7.626453 
+  144000    27.728029     2000    7.4576787 
+  145000    27.981958     2000     7.124435 
+  146000    28.236591     2000    7.2581589 
+  147000    28.489842     2000    7.0622049 
+  148000    28.744432     2000    7.1672801 
+  149000    28.998739     2000    7.3248363 
+  150000    29.253511     2000    7.0092266 
+  151000     29.50567     2000    6.8124438 
+  152000    29.759836     2000    6.9808705 
+  153000    30.015359     2000    7.1516731 
+  154000    30.275488     2000    6.6245443 
+  155000    30.533407     2000    5.5867165 
+  156000    30.788683     2000     5.318949 
+  157000    31.043126     2000    5.1195805 
+  158000    31.297011     2000    5.2045485 
+  159000    31.551327     2000      5.24992 
+  160000    31.807728     2000    5.3270577 
+  161000    32.061371     2000     4.995281 
+  162000    32.315467     2000    5.0755874 
+  163000     32.57628     2000    5.0788135 
+  164000     32.83119     2000    4.5917317 
+  165000    33.085634     2000    4.6255452 
+  166000    33.344148     2000    4.2563299 
+  167000    33.599342     2000    3.3808566 
+  168000    33.853488     2000     3.218931 
+  169000    34.121464     2000    3.0839289 
+  170000    34.378727     2000    3.0358838 
+Loop time of 34.3788 on 4 procs for 150000 steps with 2000 atoms
+
+98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 6.5861     | 10.058     | 12.152     |  68.4 | 29.26
+Neigh   | 0.17612    | 0.25274    | 0.30005    |   9.2 |  0.74
+Comm    | 1.5024     | 2.6626     | 3.4174     |  44.9 |  7.74
+Output  | 0.006542   | 0.019532   | 0.046425   |  11.5 |  0.06
+Modify  | 11.945     | 14.674     | 16.29      |  42.7 | 42.68
+Other   |            | 6.711      |            |       | 19.52
+
+Nlocal:    500 ave 508 max 489 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+Nghost:    446.75 ave 708 max 191 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+Neighs:    4498 ave 5441 max 3786 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+
+Total # of neighbors = 17992
+Ave neighs/atom = 8.996
+Neighbor list builds = 403
+Dangerous builds = 0
+
+# remove "plug" - need to redefine cylinder region & union
+
+region	  	cylreg delete
+region		hopreg delete
+region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
+region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
+region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 
+
+region		hopreg union 2 cylreg conereg
+
+unfix		hopper3
+fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
+fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
+
+run		100000
+Per MPI rank memory allocation (min/avg/max) = 13.68 | 15.35 | 16.59 Mbytes
+Step CPU Atoms KinEng 
+  170000            0     2000    3.0358838 
+  171000   0.25455499     2000    3.7725185 
+  172000   0.50768304     2000     4.727285 
+  173000   0.76122355     2000    5.9840449 
+  174000    1.0141416     2000    8.0335022 
+  175000    1.2750733     2000    10.177259 
+  176000    1.5277736     2000    13.655163 
+  177000    1.7810826     2000    17.987975 
+  178000    2.0348532     2000    23.266471 
+  179000    2.2915859     2000    29.266364 
+  180000     2.547174     2000     35.84089 
+  181000    2.8009758     2000    43.130989 
+  182000    3.0531759     2000    51.177142 
+  183000    3.3130636     2000    60.031831 
+  184000    3.5651338     2000     69.52374 
+  185000    3.8185399     2000    79.941907 
+  186000     4.070199     2000    91.195382 
+  187000    4.3204038     2000     102.1696 
+  188000    4.5699775     2000    112.73657 
+  189000    4.8184452     2000    123.57252 
+  190000    5.0653601     2000    135.59942 
+  191000    5.3119307     2000    147.37757 
+  192000    5.5574484     2000    159.12931 
+  193000    5.8029084     2000    170.90271 
+  194000    6.0463562     2000    185.71189 
+  195000    6.2883332     2000    201.83733 
+  196000    6.5281694     2000    218.30785 
+  197000    6.7682493     2000    236.05694 
+  198000    7.0084231     2000    255.23099 
+  199000    7.2519951     2000    273.94566 
+  200000    7.5010133     2000    293.91107 
+  201000    7.7396591     2000    316.52142 
+  202000    7.9784184     2000    340.91391 
+  203000     8.224021     2000    364.81801 
+  204000    8.4597676     2000    390.06478 
+  205000    8.6934731     2000    415.90918 
+  206000    8.9342225     2000     441.0995 
+  207000    9.1714027     2000    467.40314 
+  208000    9.4081488     2000    494.93631 
+  209000    9.6457636     2000    524.70539 
+  210000    9.8831718     2000    556.52058 
+  211000    10.118018     2000    589.36821 
+  212000      10.3541     2000     622.6887 
+  213000    10.587226     2000    657.05888 
+  214000    10.820744     2000    691.14292 
+  215000    11.055785     2000    726.94959 
+  216000    11.298702     2000    762.92802 
+  217000    11.534793     2000    801.23648 
+  218000    11.769849     2000     841.1559 
+  219000    12.000917     2000     882.4342 
+  220000    12.232812     2000     924.8466 
+  221000    12.461166     2000    968.86229 
+  222000    12.698451     2000    1013.1381 
+  223000    12.930287     2000    1058.2988 
+  224000    13.172862     2000    1105.2911 
+  225000    13.405001     2000    1152.8617 
+  226000    13.633187     1999    1197.6777 
+  227000    13.857126     1998    1243.1211 
+  228000    14.079622     1992    1262.1402 
+  229000    14.303362     1987    1281.9162 
+  230000    14.530392     1973    1264.0674 
+  231000    14.756486     1964    1277.8347 
+  232000    14.984495     1953    1266.7926 
+  233000    15.213102     1940    1244.0038 
+  234000    15.441666     1925    1206.4472 
+  235000    15.667547     1914      1193.33 
+  236000    15.895047     1901    1160.4096 
+  237000    16.120833     1890    1141.6816 
+  238000    16.346628     1883    1149.1584 
+  239000    16.573303     1877    1141.7514 
+  240000    16.801035     1871    1146.8662 
+  241000    17.024775     1866     1152.561 
+  242000    17.248651     1858    1148.2529 
+  243000     17.47241     1847    1114.7239 
+  244000     17.70222     1832    1070.9996 
+  245000    17.926477     1824    1066.7549 
+  246000    18.157588     1813    1027.1865 
+  247000    18.378868     1804    1011.5024 
+  248000    18.599988     1797    993.10451 
+  249000    18.819007     1787    951.89778 
+  250000    19.044634     1777    926.30475 
+  251000    19.254408     1764    875.07091 
+  252000    19.465788     1755    824.89358 
+  253000    19.676327     1742    742.51957 
+  254000    19.887648     1731    708.30958 
+  255000    20.094912     1722    690.09761 
+  256000    20.299963     1713    638.00218 
+  257000    20.506153     1705    596.86839 
+  258000    20.713994     1701    583.71937 
+  259000    20.919755     1691     549.0049 
+  260000    21.123122     1688     549.4278 
+  261000    21.332215     1684    535.35719 
+  262000    21.533673     1682    546.74031 
+  263000    21.737042     1678    532.69324 
+  264000    21.941306     1676    537.89254 
+  265000     22.15135     1676    559.50898 
+  266000    22.358371     1670    540.21452 
+  267000    22.563236     1668    557.19857 
+  268000    22.764648     1665    569.52869 
+  269000     22.96391     1658    543.77057 
+  270000    23.172415     1656    550.23716 
+Loop time of 23.1725 on 4 procs for 100000 steps with 1656 atoms
+
+98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.3849     | 7.3002     | 10.192     |  91.3 | 31.50
+Neigh   | 0.14271    | 0.16781    | 0.19054    |   4.5 |  0.72
+Comm    | 1.086      | 1.9721     | 2.6157     |  42.7 |  8.51
+Output  | 0.0018437  | 0.013918   | 0.041359   |  13.5 |  0.06
+Modify  | 8.6598     | 9.3198     | 9.8874     |  16.6 | 40.22
+Other   |            | 4.399      |            |       | 18.98
+
+Nlocal:    414 ave 454 max 385 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    395.25 ave 645 max 157 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+Neighs:    3498.5 ave 4524 max 2034 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+
+Total # of neighbors = 13994
+Ave neighs/atom = 8.45048
+Neighbor list builds = 240
+Dangerous builds = 0
+Total wall time: 0:01:02
diff --git a/examples/granregion/log.27Nov18.granregion.mixer.g++.1 b/examples/granregion/log.27Nov18.granregion.mixer.g++.1
new file mode 100644
index 0000000000..f2ba9d7122
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.mixer.g++.1
@@ -0,0 +1,602 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	name string mixer
+
+thermo_modify	flush yes
+variable	seed equal 14314
+
+###############################################
+# Particle parameters
+################################################
+
+variable	rlo equal 0.3
+variable	rhi equal 0.6
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.3
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.6
+variable 	skin equal ${rhi}
+variable 	skin equal 0.6
+
+variable	coeffRes equal 0.1
+variable	coeffFric equal 0.5
+
+variable	kn equal 10^5
+variable	kt equal 0.2*${kn}
+variable	kt equal 0.2*100000
+
+variable	gravity equal 1.0
+variable	density equal 1.0
+
+variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
+variable	a equal (-2.0*log(${coeffRes})/PI)^2
+variable	a equal (-2.0*log(0.1)/PI)^2
+variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
+variable        gamma_t equal ${gamma_n}*0.5
+variable        gamma_t equal 806.699778405191*0.5
+
+variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
+
+variable	dt equal ${tcol}*0.02
+variable	dt equal 0.00236257621510454*0.02
+timestep	${dt}
+timestep	4.72515243020908e-05
+
+###############################################
+
+variable	dumpfreq equal 1000
+variable	logfreq equal 1000
+
+newton 		on
+atom_style	sphere
+
+boundary	p p f
+
+region		boxreg block 0 20 0 20 0 20
+create_box	1 boxreg
+Created orthogonal box = (0 0 0) to (20 20 20)
+  1 by 1 by 1 MPI processor grid
+
+pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
+pair_coeff	* *
+
+neighbor        ${skin} bin
+neighbor        0.6 bin
+thermo 		${logfreq}
+thermo 		1000
+
+comm_style	brick
+comm_modify 	mode multi group all vel yes
+balance		1.1 shift xyz 20 1.1
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0
+  ghost atom cutoff = 0
+  binsize = 20, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+fix		bal all balance 10000 1.1 shift xyz 20 1.01
+
+####################### Options specific to pouring #########################
+
+region	     	insreg cylinder z 10 10 8 10 18 side in units box
+region	    	cylreg cylinder z 10 10 10 0 20 side in units box
+
+variable	theta equal (step/400000)*2*PI
+
+region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
+region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box
+
+region		mixer intersect 3 cylreg b1 b2 side in
+
+fix		grav all gravity ${gravity} vector 0 0 -1
+fix		grav all gravity 1 vector 0 0 -1
+fix		1 all nve/sphere
+
+fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
+
+fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1
+Particle insertion: 444 every 84653 steps, 1000 by step 169307
+
+#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z
+
+#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
+#dump_modify	2 pad 6
+
+thermo_style	custom step cpu atoms ke v_theta
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
+thermo_modify	flush yes lost warn
+
+run		200000
+Per MPI rank memory allocation (min/avg/max) = 5.862 | 5.862 | 5.862 Mbytes
+Step CPU Atoms KinEng v_theta 
+       0            0        0           -0            0 
+    1000   0.15327144      444           -0  0.015707963 
+    2000   0.30070925      444           -0  0.031415927 
+    3000   0.44653535      444           -0   0.04712389 
+    4000   0.59226131      444           -0  0.062831853 
+    5000   0.73794818      444           -0  0.078539816 
+    6000   0.88327622      444           -0   0.09424778 
+    7000    1.0286083      444           -0   0.10995574 
+    8000    1.1740625      444           -0   0.12566371 
+    9000    1.3224797      444           -0   0.14137167 
+   10000    1.4717772      444           -0   0.15707963 
+   11000    1.6204555      444           -0    0.1727876 
+   12000    1.7690799      444           -0   0.18849556 
+   13000     1.918304      444           -0   0.20420352 
+   14000    2.0670426      444           -0   0.21991149 
+   15000    2.2157068      444           -0   0.23561945 
+   16000    2.3642888      444           -0   0.25132741 
+   17000    2.5129776      444           -0   0.26703538 
+   18000    2.6614521      444           -0   0.28274334 
+   19000    2.8100598      444           -0    0.2984513 
+   20000    2.9591351      444           -0   0.31415927 
+   21000    3.1073661      444           -0   0.32986723 
+   22000    3.2557554      444           -0   0.34557519 
+   23000    3.4041324      444           -0   0.36128316 
+   24000    3.5526814      444           -0   0.37699112 
+   25000     3.700824      444           -0   0.39269908 
+   26000    3.8496137      444           -0   0.40840704 
+   27000    3.9986103      444           -0   0.42411501 
+   28000    4.1475384      444           -0   0.43982297 
+   29000    4.2963772      444           -0   0.45553093 
+   30000    4.4454341      444           -0    0.4712389 
+   31000    4.5942066      444           -0   0.48694686 
+   32000    4.7434044      444           -0   0.50265482 
+   33000     4.893549      444           -0   0.51836279 
+   34000    5.0427935      444           -0   0.53407075 
+   35000    5.1920972      444           -0   0.54977871 
+   36000    5.3411844      444           -0   0.56548668 
+   37000    5.4904606      444           -0   0.58119464 
+   38000    5.6397707      444           -0    0.5969026 
+   39000    5.7900345      444           -0   0.61261057 
+   40000    5.9405882      444           -0   0.62831853 
+   41000     6.089345      444           -0   0.64402649 
+   42000    6.2388933      444           -0   0.65973446 
+   43000    6.3888056      444           -0   0.67544242 
+   44000    6.5379841      444           -0   0.69115038 
+   45000    6.6875141      444           -0   0.70685835 
+   46000    6.8370855      444           -0   0.72256631 
+   47000    6.9866009      444           -0   0.73827427 
+   48000    7.1364653      444           -0   0.75398224 
+   49000    7.2859883      444           -0    0.7696902 
+   50000    7.4368248      444           -0   0.78539816 
+   51000    7.5870779      444           -0   0.80110613 
+   52000    7.7370813      444           -0   0.81681409 
+   53000    7.8879561      444           -0   0.83252205 
+   54000    8.0383027      444           -0   0.84823002 
+   55000    8.1916294      444           -0   0.86393798 
+   56000    8.3458471      444           -0   0.87964594 
+   57000    8.5010631      444           -0   0.89535391 
+   58000    8.6560545      444           -0   0.91106187 
+   59000    8.8110209      444           -0   0.92676983 
+   60000    8.9674675      444           -0    0.9424778 
+   61000    9.1231239      444           -0   0.95818576 
+   62000    9.2785382      444           -0   0.97389372 
+   63000    9.4343674      444           -0   0.98960169 
+   64000    9.5911541      444           -0    1.0053096 
+   65000    9.7477772      444           -0    1.0210176 
+   66000    9.9050307      444           -0    1.0367256 
+   67000    10.063978      444           -0    1.0524335 
+   68000    10.221835      444           -0    1.0681415 
+   69000     10.37944      444           -0    1.0838495 
+   70000    10.537409      444           -0    1.0995574 
+   71000    10.695649      444           -0    1.1152654 
+   72000     10.85453      444           -0    1.1309734 
+   73000    11.013438      444           -0    1.1466813 
+   74000    11.172689      444           -0    1.1623893 
+   75000    11.332172      444           -0    1.1780972 
+   76000    11.492824      444           -0    1.1938052 
+   77000    11.653915      444           -0    1.2095132 
+   78000    11.815798      444           -0    1.2252211 
+   79000     11.97868      444           -0    1.2409291 
+   80000    12.141392      444           -0    1.2566371 
+   81000     12.30536      444           -0     1.272345 
+   82000    12.468797      444           -0     1.288053 
+   83000    12.633028      444           -0     1.303761 
+   84000    12.797936      444           -0    1.3194689 
+   85000    13.019726      888           -0    1.3351769 
+   86000    13.333436      888           -0    1.3508848 
+   87000    13.648179      888           -0    1.3665928 
+   88000    13.962435      888           -0    1.3823008 
+   89000    14.276158      888           -0    1.3980087 
+   90000    14.590669      888           -0    1.4137167 
+   91000    14.904268      888           -0    1.4294247 
+   92000    15.216788      888           -0    1.4451326 
+   93000    15.529868      888           -0    1.4608406 
+   94000    15.843157      888           -0    1.4765485 
+   95000    16.156564      888           -0    1.4922565 
+   96000    16.469569      888           -0    1.5079645 
+   97000    16.784048      888           -0    1.5236724 
+   98000    17.100451      888           -0    1.5393804 
+   99000    17.416338      888           -0    1.5550884 
+  100000    17.733482      888           -0    1.5707963 
+  101000    18.052522      888           -0    1.5865043 
+  102000    18.371428      888           -0    1.6022123 
+  103000    18.690222      888           -0    1.6179202 
+  104000    19.009665      888           -0    1.6336282 
+  105000    19.328189      888           -0    1.6493361 
+  106000    19.647804      888           -0    1.6650441 
+  107000     19.96805      888           -0    1.6807521 
+  108000    20.286857      888           -0      1.69646 
+  109000    20.607965      888           -0     1.712168 
+  110000    20.931749      888           -0     1.727876 
+  111000    21.251903      888           -0    1.7435839 
+  112000    21.572158      888           -0    1.7592919 
+  113000    21.892612      888           -0    1.7749998 
+  114000    22.214408      888           -0    1.7907078 
+  115000    22.535498      888           -0    1.8064158 
+  116000    22.856752      888           -0    1.8221237 
+  117000    23.178885      888           -0    1.8378317 
+  118000    23.501127      888           -0    1.8535397 
+  119000      23.8241      888           -0    1.8692476 
+  120000    24.147258      888           -0    1.8849556 
+  121000    24.472969      888           -0    1.9006636 
+  122000    24.799108      888           -0    1.9163715 
+  123000    25.125275      888           -0    1.9320795 
+  124000    25.453866      888           -0    1.9477874 
+  125000    25.784766      888           -0    1.9634954 
+  126000    26.117013      888           -0    1.9792034 
+  127000    26.448734      888           -0    1.9949113 
+  128000    26.780032      888           -0    2.0106193 
+  129000    27.113678      888           -0    2.0263273 
+  130000    27.450001      888           -0    2.0420352 
+  131000    27.782047      888           -0    2.0577432 
+  132000    28.114287      888           -0    2.0734512 
+  133000    28.446648      888           -0    2.0891591 
+  134000    28.780438      888           -0    2.1048671 
+  135000    29.116443      888           -0     2.120575 
+  136000    29.451848      888           -0     2.136283 
+  137000    29.787778      888           -0     2.151991 
+  138000     30.12804      888           -0    2.1676989 
+  139000     30.46814      888           -0    2.1834069 
+  140000    30.808946      888           -0    2.1991149 
+  141000    31.147584      888           -0    2.2148228 
+  142000    31.486475      888           -0    2.2305308 
+  143000    31.826754      888           -0    2.2462387 
+  144000    32.165796      888           -0    2.2619467 
+  145000    32.506074      888           -0    2.2776547 
+  146000    32.847604      888           -0    2.2933626 
+  147000    33.188988      888           -0    2.3090706 
+  148000    33.532869      888           -0    2.3247786 
+  149000    33.876629      888           -0    2.3404865 
+  150000    34.221172      888           -0    2.3561945 
+  151000    34.562559      888           -0    2.3719025 
+  152000    34.904679      888           -0    2.3876104 
+  153000    35.247727      888           -0    2.4033184 
+  154000    35.591228      888           -0    2.4190263 
+  155000    35.949192      888           -0    2.4347343 
+  156000    36.320157      888           -0    2.4504423 
+  157000    36.693571      888           -0    2.4661502 
+  158000    37.069463      888           -0    2.4818582 
+  159000     37.44221      888           -0    2.4975662 
+  160000     37.81863      888           -0    2.5132741 
+  161000    38.195121      888           -0    2.5289821 
+  162000    38.573424      888           -0      2.54469 
+  163000    38.950044      888           -0     2.560398 
+  164000    39.331977      888           -0     2.576106 
+  165000    39.714367      888           -0    2.5918139 
+  166000    40.097099      888           -0    2.6075219 
+  167000    40.477443      888           -0    2.6232299 
+  168000    40.860404      888           -0    2.6389378 
+  169000    41.244357      888           -0    2.6546458 
+  170000    41.658126     1000           -0    2.6703538 
+  171000    42.082517     1000           -0    2.6860617 
+  172000    42.507502     1000           -0    2.7017697 
+  173000     42.93363     1000           -0    2.7174776 
+  174000    43.361133     1000           -0    2.7331856 
+  175000    43.792381     1000           -0    2.7488936 
+  176000    44.223827     1000           -0    2.7646015 
+  177000    44.656581     1000           -0    2.7803095 
+  178000    45.087615     1000           -0    2.7960175 
+  179000    45.521129     1000           -0    2.8117254 
+  180000    45.957808     1000           -0    2.8274334 
+  181000    46.391451     1000           -0    2.8431414 
+  182000    46.825486     1000           -0    2.8588493 
+  183000     47.26091     1000           -0    2.8745573 
+  184000    47.694263     1000           -0    2.8902652 
+  185000    48.123312     1000           -0    2.9059732 
+  186000    48.554081     1000           -0    2.9216812 
+  187000    48.982617     1000           -0    2.9373891 
+  188000    49.414355     1000           -0    2.9530971 
+  189000     49.84753     1000           -0    2.9688051 
+  190000    50.284462     1000           -0     2.984513 
+  191000     50.71899     1000           -0     3.000221 
+  192000    51.157278     1000           -0    3.0159289 
+  193000    51.586171     1000           -0    3.0316369 
+  194000    52.011691     1000           -0    3.0473449 
+  195000    52.437732     1000           -0    3.0630528 
+  196000    52.863703     1000           -0    3.0787608 
+  197000    53.290403     1000           -0    3.0944688 
+  198000      53.7191     1000           -0    3.1101767 
+  199000    54.147195     1000           -0    3.1258847 
+  200000    54.575967     1000           -0    3.1415927 
+Loop time of 54.576 on 1 procs for 200000 steps with 1000 atoms
+
+Performance: 14960.907 tau/day, 3664.615 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 3.7989     | 3.7989     | 3.7989     |   0.0 |  6.96
+Neigh   | 0.067629   | 0.067629   | 0.067629   |   0.0 |  0.12
+Comm    | 0.63734    | 0.63734    | 0.63734    |   0.0 |  1.17
+Output  | 0.0049303  | 0.0049303  | 0.0049303  |   0.0 |  0.01
+Modify  | 49.1       | 49.1       | 49.1       |   0.0 | 89.97
+Other   |            | 0.9668     |            |       |  1.77
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    196 ave 196 max 196 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3910 ave 3910 max 3910 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3910
+Ave neighs/atom = 3.91
+Neighbor list builds = 219
+Dangerous builds = 0
+unfix 		ins
+run		200000
+Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.65 | 12.65 Mbytes
+Step CPU Atoms KinEng v_theta 
+  200000            0     1000   0.93873133    3.1415927 
+  201000    0.4261198     1000   0.93239566    3.1573006 
+  202000   0.84928846     1000   0.90333835    3.1730086 
+  203000    1.2720087     1000   0.89351493    3.1887165 
+  204000    1.6929317     1000   0.87648478    3.2044245 
+  205000     2.114043     1000   0.86818482    3.2201325 
+  206000    2.5357664     1000   0.86033251    3.2358404 
+  207000    2.9579847     1000   0.85442625    3.2515484 
+  208000    3.3812878     1000    0.8517451    3.2672564 
+  209000    3.8124611     1000   0.84406987    3.2829643 
+  210000    4.2440236     1000   0.83964642    3.2986723 
+  211000    4.6781921     1000   0.82994066    3.3143802 
+  212000    5.1116509     1000   0.82908369    3.3300882 
+  213000    5.5468135     1000   0.83115482    3.3457962 
+  214000    5.9802556     1000   0.82680518    3.3615041 
+  215000    6.4107294     1000    0.8223909    3.3772121 
+  216000    6.8419023     1000   0.81872537    3.3929201 
+  217000    7.2763367     1000   0.82446065     3.408628 
+  218000    7.7160695     1000   0.82278874     3.424336 
+  219000    8.1540956     1000   0.83017397     3.440044 
+  220000    8.5917952     1000   0.82232305    3.4557519 
+  221000    9.0296218     1000   0.82584132    3.4714599 
+  222000    9.4719794     1000   0.82143909    3.4871678 
+  223000    9.9180939     1000   0.82925587    3.5028758 
+  224000    10.361852     1000   0.84546265    3.5185838 
+  225000    10.803539     1000   0.84436452    3.5342917 
+  226000    11.248456     1000   0.84849375    3.5499997 
+  227000    11.695092     1000    0.8409057    3.5657077 
+  228000    12.136044     1000   0.83139305    3.5814156 
+  229000    12.579807     1000   0.83098473    3.5971236 
+  230000     13.02219     1000   0.81335147    3.6128316 
+  231000    13.463863     1000   0.78946649    3.6285395 
+  232000    13.906293     1000   0.78807613    3.6442475 
+  233000    14.348807     1000   0.79086655    3.6599554 
+  234000    14.793175     1000   0.79358862    3.6756634 
+  235000    15.238316     1000   0.79444252    3.6913714 
+  236000    15.683342     1000   0.79392156    3.7070793 
+  237000     16.12611     1000   0.80416034    3.7227873 
+  238000      16.5711     1000   0.80365093    3.7384953 
+  239000    17.014355     1000   0.80860323    3.7542032 
+  240000    17.454467     1000   0.80245788    3.7699112 
+  241000     17.89162     1000   0.79602568    3.7856191 
+  242000    18.330859     1000   0.79023692    3.8013271 
+  243000    18.769301     1000   0.79066782    3.8170351 
+  244000    19.211293     1000   0.77671368     3.832743 
+  245000    19.651443     1000   0.77121874     3.848451 
+  246000    20.092102     1000   0.74658977     3.864159 
+  247000    20.532732     1000   0.73825017    3.8798669 
+  248000    20.975646     1000    0.7187986    3.8955749 
+  249000    21.418807     1000   0.71707058    3.9112829 
+  250000    21.862497     1000   0.72983635    3.9269908 
+  251000    22.311832     1000    0.7355358    3.9426988 
+  252000     22.75883     1000   0.74427811    3.9584067 
+  253000    23.203455     1000   0.74968093    3.9741147 
+  254000    23.651472     1000   0.75350303    3.9898227 
+  255000    24.102152     1000   0.75617916    4.0055306 
+  256000    24.554236     1000   0.74949839    4.0212386 
+  257000    25.008718     1000   0.73534118    4.0369466 
+  258000    25.461913     1000   0.73761942    4.0526545 
+  259000    25.916674     1000   0.75485851    4.0683625 
+  260000    26.373941     1000   0.77147511    4.0840704 
+  261000    26.832072     1000   0.76658917    4.0997784 
+  262000     27.28741     1000   0.76441563    4.1154864 
+  263000    27.742157     1000   0.74449444    4.1311943 
+  264000    28.192718     1000    0.7403314    4.1469023 
+  265000    28.642541     1000   0.74262656    4.1626103 
+  266000     29.09406     1000   0.74117022    4.1783182 
+  267000    29.547747     1000   0.73877643    4.1940262 
+  268000    29.998243     1000   0.75062626    4.2097342 
+  269000    30.449751     1000   0.74649396    4.2254421 
+  270000    30.901232     1000   0.75371324    4.2411501 
+  271000    31.354755     1000   0.75254842     4.256858 
+  272000    31.810717     1000   0.74245946     4.272566 
+  273000    32.265754     1000   0.73056023     4.288274 
+  274000    32.719719     1000   0.72004393    4.3039819 
+  275000    33.173929     1000   0.70665742    4.3196899 
+  276000    33.628581     1000   0.69417262    4.3353979 
+  277000    34.080936     1000   0.67343474    4.3511058 
+  278000    34.532053     1000   0.66922758    4.3668138 
+  279000    34.985569     1000   0.66239909    4.3825218 
+  280000    35.443496     1000   0.66406486    4.3982297 
+  281000    35.901536     1000   0.67123654    4.4139377 
+  282000    36.357765     1000   0.67660885    4.4296456 
+  283000    36.811956     1000    0.6809288    4.4453536 
+  284000    37.266937     1000   0.69561154    4.4610616 
+  285000    37.720866     1000   0.70874512    4.4767695 
+  286000    38.177032     1000   0.72957833    4.4924775 
+  287000    38.633109     1000   0.72891066    4.5081855 
+  288000    39.086933     1000   0.72673285    4.5238934 
+  289000    39.538699     1000   0.72583062    4.5396014 
+  290000    39.991294     1000    0.7209406    4.5553093 
+  291000    40.437987     1000   0.70642559    4.5710173 
+  292000    40.885753     1000   0.69074151    4.5867253 
+  293000    41.326601     1000   0.68041469    4.6024332 
+  294000    41.763719     1000    0.6712034    4.6181412 
+  295000    42.198532     1000   0.66140336    4.6338492 
+  296000    42.635139     1000   0.65458145    4.6495571 
+  297000    43.071132     1000   0.63884999    4.6652651 
+  298000    43.507309     1000   0.63182296    4.6809731 
+  299000    43.943936     1000    0.6324286     4.696681 
+  300000    44.383148     1000   0.62640427     4.712389 
+  301000    44.819379     1000   0.62138494    4.7280969 
+  302000    45.260834     1000   0.62902694    4.7438049 
+  303000    45.705719     1000   0.63308052    4.7595129 
+  304000     46.14622     1000   0.63266845    4.7752208 
+  305000    46.586693     1000   0.63464534    4.7909288 
+  306000    47.028768     1000   0.62941378    4.8066368 
+  307000    47.470183     1000   0.62801025    4.8223447 
+  308000    47.914518     1000   0.62291875    4.8380527 
+  309000    48.365654     1000   0.62529494    4.8537606 
+  310000    48.817185     1000   0.62504442    4.8694686 
+  311000    49.269423     1000   0.63074915    4.8851766 
+  312000    49.722869     1000   0.64292914    4.9008845 
+  313000    50.175859     1000   0.65319818    4.9165925 
+  314000    50.630132     1000   0.66755513    4.9323005 
+  315000    51.084836     1000   0.67585436    4.9480084 
+  316000    51.539391     1000   0.67676226    4.9637164 
+  317000    51.995233     1000   0.67394312    4.9794244 
+  318000    52.453581     1000   0.67299959    4.9951323 
+  319000    52.906322     1000   0.68074615    5.0108403 
+  320000    53.362206     1000   0.67696004    5.0265482 
+  321000    53.813824     1000   0.67899008    5.0422562 
+  322000    54.264433     1000   0.67901671    5.0579642 
+  323000    54.715627     1000   0.67620354    5.0736721 
+  324000       55.168     1000   0.67165541    5.0893801 
+  325000    55.620891     1000   0.67820953    5.1050881 
+  326000    56.073685     1000   0.67490808     5.120796 
+  327000    56.526012     1000   0.67238149     5.136504 
+  328000    56.977525     1000   0.66885914     5.152212 
+  329000    57.431088     1000   0.66876389    5.1679199 
+  330000    57.886694     1000   0.66879597    5.1836279 
+  331000    58.338381     1000   0.66577546    5.1993358 
+  332000    58.791084     1000    0.6602875    5.2150438 
+  333000    59.242965     1000   0.65879422    5.2307518 
+  334000    59.698559     1000    0.6581474    5.2464597 
+  335000    60.153261     1000    0.6521249    5.2621677 
+  336000    60.605605     1000   0.63371979    5.2778757 
+  337000    61.059824     1000   0.62373279    5.2935836 
+  338000    61.510606     1000    0.6212013    5.3092916 
+  339000    61.962049     1000   0.62303395    5.3249995 
+  340000    62.413564     1000   0.63183785    5.3407075 
+  341000     62.86366     1000   0.64387158    5.3564155 
+  342000    63.317623     1000   0.65045982    5.3721234 
+  343000    63.772034     1000   0.65401192    5.3878314 
+  344000    64.225206     1000   0.65181077    5.4035394 
+  345000    64.681317     1000   0.64098248    5.4192473 
+  346000    65.136483     1000   0.63163559    5.4349553 
+  347000    65.588996     1000   0.64182161    5.4506633 
+  348000    66.042215     1000   0.65528889    5.4663712 
+  349000    66.501687     1000   0.66603277    5.4820792 
+  350000    66.960896     1000   0.67362185    5.4977871 
+  351000    67.417316     1000   0.68867905    5.5134951 
+  352000    67.876742     1000    0.6907547    5.5292031 
+  353000    68.336836     1000   0.69043981     5.544911 
+  354000    68.797396     1000   0.68676964     5.560619 
+  355000    69.255062     1000   0.68019369     5.576327 
+  356000    69.711663     1000   0.66189875    5.5920349 
+  357000    70.172728     1000   0.65275709    5.6077429 
+  358000    70.632655     1000   0.64560617    5.6234508 
+  359000    71.091165     1000   0.63865266    5.6391588 
+  360000    71.548341     1000    0.6366388    5.6548668 
+  361000    72.006137     1000   0.63619567    5.6705747 
+  362000    72.466621     1000   0.63986167    5.6862827 
+  363000    72.928505     1000     0.656198    5.7019907 
+  364000    73.391876     1000   0.66522563    5.7176986 
+  365000    73.852366     1000   0.67330205    5.7334066 
+  366000    74.317924     1000   0.67997811    5.7491146 
+  367000    74.781431     1000   0.67734915    5.7648225 
+  368000     75.24363     1000   0.66811078    5.7805305 
+  369000    75.704319     1000   0.67232161    5.7962384 
+  370000    76.165294     1000   0.67262944    5.8119464 
+  371000    76.624971     1000   0.68614241    5.8276544 
+  372000    77.085918     1000   0.70293842    5.8433623 
+  373000    77.544679     1000   0.71889856    5.8590703 
+  374000    78.007103     1000    0.7170296    5.8747783 
+  375000    78.468913     1000   0.71258031    5.8904862 
+  376000     78.93354     1000   0.70758873    5.9061942 
+  377000     79.39396     1000   0.69486822    5.9219022 
+  378000    79.850685     1000   0.68311194    5.9376101 
+  379000    80.307228     1000   0.67317549    5.9533181 
+  380000    80.767418     1000   0.67691049     5.969026 
+  381000    81.227579     1000   0.69231691     5.984734 
+  382000    81.686924     1000   0.69998609     6.000442 
+  383000    82.145783     1000   0.69328258    6.0161499 
+  384000    82.604827     1000   0.69903908    6.0318579 
+  385000    83.056443     1000   0.69455744    6.0475659 
+  386000    83.507131     1000   0.68865933    6.0632738 
+  387000     83.95695     1000   0.68630439    6.0789818 
+  388000    84.404079     1000    0.6800564    6.0946897 
+  389000    84.851053     1000   0.66747339    6.1103977 
+  390000    85.298614     1000   0.65695883    6.1261057 
+  391000    85.744507     1000   0.65659359    6.1418136 
+  392000    86.191348     1000   0.65933663    6.1575216 
+  393000    86.632782     1000   0.65170236    6.1732296 
+  394000    87.074105     1000   0.65631817    6.1889375 
+  395000      87.5177     1000   0.66205838    6.2046455 
+  396000    87.963111     1000   0.65512694    6.2203535 
+  397000    88.408348     1000   0.65266011    6.2360614 
+  398000    88.854042     1000   0.64593806    6.2517694 
+  399000    89.298754     1000   0.64940473    6.2674773 
+  400000    89.745445     1000   0.66033435    6.2831853 
+Loop time of 89.7455 on 1 procs for 200000 steps with 1000 atoms
+
+Performance: 9098.023 tau/day, 2228.525 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 10.924     | 10.924     | 10.924     |   0.0 | 12.17
+Neigh   | 0.10266    | 0.10266    | 0.10266    |   0.0 |  0.11
+Comm    | 1.9424     | 1.9424     | 1.9424     |   0.0 |  2.16
+Output  | 0.0056458  | 0.0056458  | 0.0056458  |   0.0 |  0.01
+Modify  | 75.442     | 75.442     | 75.442     |   0.0 | 84.06
+Other   |            | 1.329      |            |       |  1.48
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    272 ave 272 max 272 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    4933 ave 4933 max 4933 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 4933
+Ave neighs/atom = 4.933
+Neighbor list builds = 171
+Dangerous builds = 0
+Total wall time: 0:02:24
diff --git a/examples/granregion/log.27Nov18.granregion.mixer.g++.4 b/examples/granregion/log.27Nov18.granregion.mixer.g++.4
new file mode 100644
index 0000000000..be690a7df5
--- /dev/null
+++ b/examples/granregion/log.27Nov18.granregion.mixer.g++.4
@@ -0,0 +1,602 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	name string mixer
+
+thermo_modify	flush yes
+variable	seed equal 14314
+
+###############################################
+# Particle parameters
+################################################
+
+variable	rlo equal 0.3
+variable	rhi equal 0.6
+variable	dlo equal 2.0*${rlo}
+variable	dlo equal 2.0*0.3
+variable	dhi equal 2.0*${rhi}
+variable	dhi equal 2.0*0.6
+variable 	skin equal ${rhi}
+variable 	skin equal 0.6
+
+variable	coeffRes equal 0.1
+variable	coeffFric equal 0.5
+
+variable	kn equal 10^5
+variable	kt equal 0.2*${kn}
+variable	kt equal 0.2*100000
+
+variable	gravity equal 1.0
+variable	density equal 1.0
+
+variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
+variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
+variable	a equal (-2.0*log(${coeffRes})/PI)^2
+variable	a equal (-2.0*log(0.1)/PI)^2
+variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
+variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
+variable        gamma_t equal ${gamma_n}*0.5
+variable        gamma_t equal 806.699778405191*0.5
+
+variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
+variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
+
+variable	dt equal ${tcol}*0.02
+variable	dt equal 0.00236257621510454*0.02
+timestep	${dt}
+timestep	4.72515243020908e-05
+
+###############################################
+
+variable	dumpfreq equal 1000
+variable	logfreq equal 1000
+
+newton 		on
+atom_style	sphere
+
+boundary	p p f
+
+region		boxreg block 0 20 0 20 0 20
+create_box	1 boxreg
+Created orthogonal box = (0 0 0) to (20 20 20)
+  1 by 2 by 2 MPI processor grid
+
+pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
+pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
+pair_coeff	* *
+
+neighbor        ${skin} bin
+neighbor        0.6 bin
+thermo 		${logfreq}
+thermo 		1000
+
+comm_style	brick
+comm_modify 	mode multi group all vel yes
+balance		1.1 shift xyz 20 1.1
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 0
+  ghost atom cutoff = 0
+  binsize = 20, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton on, size, history
+      pair build: half/size/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+fix		bal all balance 10000 1.1 shift xyz 20 1.01
+
+####################### Options specific to pouring #########################
+
+region	     	insreg cylinder z 10 10 8 10 18 side in units box
+region	    	cylreg cylinder z 10 10 10 0 20 side in units box
+
+variable	theta equal (step/400000)*2*PI
+
+region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
+region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box
+
+region		mixer intersect 3 cylreg b1 b2 side in
+
+fix		grav all gravity ${gravity} vector 0 0 -1
+fix		grav all gravity 1 vector 0 0 -1
+fix		1 all nve/sphere
+
+fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
+fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
+
+fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
+fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1
+Particle insertion: 444 every 84653 steps, 1000 by step 169307
+
+#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z
+
+#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
+#dump_modify	2 pad 6
+
+thermo_style	custom step cpu atoms ke v_theta
+WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705)
+thermo_modify	flush yes lost warn
+
+run		200000
+Per MPI rank memory allocation (min/avg/max) = 5.817 | 5.817 | 5.817 Mbytes
+Step CPU Atoms KinEng v_theta 
+       0            0        0           -0            0 
+    1000  0.096722603      444           -0  0.015707963 
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+  171000    16.239863     1000           -0    2.6860617 
+  172000    16.391118     1000           -0    2.7017697 
+  173000      16.5417     1000           -0    2.7174776 
+  174000     16.69479     1000           -0    2.7331856 
+  175000    16.847412     1000           -0    2.7488936 
+  176000    17.000374     1000           -0    2.7646015 
+  177000     17.15471     1000           -0    2.7803095 
+  178000     17.31284     1000           -0    2.7960175 
+  179000     17.46991     1000           -0    2.8117254 
+  180000    17.629018     1000           -0    2.8274334 
+  181000    17.787736     1000           -0    2.8431414 
+  182000    17.946197     1000           -0    2.8588493 
+  183000    18.105271     1000           -0    2.8745573 
+  184000    18.263731     1000           -0    2.8902652 
+  185000    18.433277     1000           -0    2.9059732 
+  186000    18.594456     1000           -0    2.9216812 
+  187000    18.755532     1000           -0    2.9373891 
+  188000    18.918447     1000           -0    2.9530971 
+  189000    19.080359     1000           -0    2.9688051 
+  190000    19.243927     1000           -0     2.984513 
+  191000    19.395044     1000           -0     3.000221 
+  192000    19.546837     1000           -0    3.0159289 
+  193000    19.695827     1000           -0    3.0316369 
+  194000    19.843856     1000           -0    3.0473449 
+  195000    19.993821     1000           -0    3.0630528 
+  196000    20.145787     1000           -0    3.0787608 
+  197000    20.298114     1000           -0    3.0944688 
+  198000     20.45074     1000           -0    3.1101767 
+  199000    20.607595     1000           -0    3.1258847 
+  200000    20.760979     1000           -0    3.1415927 
+Loop time of 20.7611 on 4 procs for 200000 steps with 1000 atoms
+
+Performance: 39328.699 tau/day, 9633.409 timesteps/s
+98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.57172    | 0.93292    | 1.2995     |  37.1 |  4.49
+Neigh   | 0.015648   | 0.018747   | 0.02175    |   2.1 |  0.09
+Comm    | 3.17       | 3.6151     | 4.0856     |  23.0 | 17.41
+Output  | 0.0051017  | 0.012686   | 0.033359   |  10.6 |  0.06
+Modify  | 12.36      | 13.269     | 14.095     |  21.8 | 63.91
+Other   |            | 2.912      |            |       | 14.03
+
+Nlocal:    250 ave 270 max 230 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Nghost:    297 ave 337 max 234 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+Neighs:    982.5 ave 1580 max 496 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 3930
+Ave neighs/atom = 3.93
+Neighbor list builds = 218
+Dangerous builds = 0
+unfix 		ins
+run		200000
+Per MPI rank memory allocation (min/avg/max) = 12 | 12.19 | 12.35 Mbytes
+Step CPU Atoms KinEng v_theta 
+  200000            0     1000   0.89289812    3.1415927 
+  201000   0.15554476     1000   0.90162438    3.1573006 
+  202000   0.31118774     1000   0.89175077    3.1730086 
+  203000   0.47266722     1000   0.88068523    3.1887165 
+  204000   0.64758801     1000   0.88775074    3.2044245 
+  205000   0.85137105     1000   0.89009449    3.2201325 
+  206000    1.0712745     1000   0.89031724    3.2358404 
+  207000    1.3620427     1000   0.90901476    3.2515484 
+  208000    1.6051998     1000   0.91977358    3.2672564 
+  209000    1.7975032     1000   0.92044257    3.2829643 
+  210000    1.9654117     1000   0.90550844    3.2986723 
+  211000    2.1186137     1000   0.90179135    3.3143802 
+  212000    2.2714169     1000   0.90474936    3.3300882 
+  213000    2.4236252     1000    0.9011002    3.3457962 
+  214000    2.5737655     1000   0.89619815    3.3615041 
+  215000    2.7326233     1000   0.89129064    3.3772121 
+  216000    2.8794787     1000   0.88785486    3.3929201 
+  217000    3.0264313     1000   0.89448821     3.408628 
+  218000    3.1743443     1000   0.89323746     3.424336 
+  219000    3.3225086     1000   0.88176869     3.440044 
+  220000    3.4717121     1000   0.86989815    3.4557519 
+  221000    3.6229391     1000   0.85900389    3.4714599 
+  222000    3.7768724     1000   0.85440461    3.4871678 
+  223000    3.9287963     1000    0.8604449    3.5028758 
+  224000     4.082505     1000   0.84537374    3.5185838 
+  225000     4.234731     1000   0.84526488    3.5342917 
+  226000    4.3872988     1000   0.85877362    3.5499997 
+  227000    4.5396216     1000   0.86762074    3.5657077 
+  228000    4.7092509     1000   0.86460359    3.5814156 
+  229000    4.8631954     1000   0.85409682    3.5971236 
+  230000    5.0194352     1000   0.83902718    3.6128316 
+  231000    5.1765387     1000   0.83908755    3.6285395 
+  232000    5.3335299     1000   0.83178808    3.6442475 
+  233000    5.4917257     1000   0.83369584    3.6599554 
+  234000     5.654233     1000    0.8530074    3.6756634 
+  235000    5.8163757     1000   0.86385009    3.6913714 
+  236000    5.9791231     1000   0.86453337    3.7070793 
+  237000    6.1401029     1000   0.86137572    3.7227873 
+  238000     6.300632     1000    0.8656285    3.7384953 
+  239000    6.4597898     1000   0.85993724    3.7542032 
+  240000    6.6216707     1000    0.8484153    3.7699112 
+  241000    6.7793672     1000   0.84624799    3.7856191 
+  242000     6.939244     1000   0.83739227    3.8013271 
+  243000    7.1013088     1000   0.83026469    3.8170351 
+  244000     7.267416     1000   0.81060567     3.832743 
+  245000    7.4318523     1000   0.81081038     3.848451 
+  246000    7.6077905     1000   0.80857771     3.864159 
+  247000    7.7763391     1000   0.80353315    3.8798669 
+  248000    7.9485247     1000   0.80191903    3.8955749 
+  249000    8.1208956     1000   0.79865102    3.9112829 
+  250000    8.2921841     1000   0.79407385    3.9269908 
+  251000    8.4614651     1000    0.7880275    3.9426988 
+  252000    8.6266186     1000   0.79212521    3.9584067 
+  253000    8.7913449     1000   0.78976714    3.9741147 
+  254000    8.9596558     1000   0.79720779    3.9898227 
+  255000    9.1278918     1000   0.79329363    4.0055306 
+  256000    9.3016815     1000   0.80851295    4.0212386 
+  257000    9.4701304     1000   0.82322071    4.0369466 
+  258000    9.6399531     1000   0.83042211    4.0526545 
+  259000    9.8090186     1000   0.82773068    4.0683625 
+  260000    9.9798045     1000    0.8246773    4.0840704 
+  261000    10.148952     1000   0.81374287    4.0997784 
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+  263000    10.496092     1000   0.78124408    4.1311943 
+  264000    10.671031     1000   0.77790646    4.1469023 
+  265000    10.843052     1000   0.77212005    4.1626103 
+  266000     11.01867     1000   0.77977752    4.1783182 
+  267000    11.192151     1000   0.79237542    4.1940262 
+  268000    11.362491     1000   0.80631398    4.2097342 
+  269000     11.53223     1000   0.82380407    4.2254421 
+  270000      11.7123     1000   0.82477127    4.2411501 
+  271000    11.883593     1000   0.81655074     4.256858 
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+  273000    12.220196     1000   0.79162789     4.288274 
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+  275000    12.569757     1000   0.77904648    4.3196899 
+  276000    12.748754     1000   0.78252999    4.3353979 
+  277000     12.91648     1000   0.78293295    4.3511058 
+  278000    13.086087     1000   0.78311337    4.3668138 
+  279000    13.260159     1000   0.77657634    4.3825218 
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+  282000    13.763325     1000   0.74600306    4.4296456 
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+  285000    14.269317     1000   0.72160289    4.4767695 
+  286000    14.441196     1000   0.71321619    4.4924775 
+  287000    14.614458     1000   0.72631772    4.5081855 
+  288000    14.783358     1000   0.74390396    4.5238934 
+  289000    14.953564     1000   0.77320352    4.5396014 
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+  291000    15.283974     1000    0.7583723    4.5710173 
+  292000    15.449553     1000   0.74568347    4.5867253 
+  293000    15.611965     1000   0.74108034    4.6024332 
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+  296000    16.086734     1000   0.70272297    4.6495571 
+  297000    16.245418     1000    0.6945394    4.6652651 
+  298000    16.406617     1000   0.69541258    4.6809731 
+  299000    16.568989     1000   0.71696092     4.696681 
+  300000    16.754911     1000   0.72939561     4.712389 
+  301000    16.919453     1000   0.73621801    4.7280969 
+  302000     17.07794     1000   0.72052605    4.7438049 
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+  304000     17.39014     1000   0.70014814    4.7752208 
+  305000    17.550789     1000   0.68855925    4.7909288 
+  306000    17.718802     1000   0.68665019    4.8066368 
+  307000    17.874036     1000    0.6831349    4.8223447 
+  308000    18.029367     1000   0.67929468    4.8380527 
+  309000    18.188065     1000   0.67833006    4.8537606 
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+  311000    18.512475     1000   0.68271978    4.8851766 
+  312000    18.676519     1000   0.69021026    4.9008845 
+  313000    18.836426     1000   0.68795473    4.9165925 
+  314000    18.997681     1000   0.68308892    4.9323005 
+  315000    19.158794     1000   0.68086977    4.9480084 
+  316000    19.318186     1000   0.67879169    4.9637164 
+  317000    19.479364     1000   0.68128526    4.9794244 
+  318000    19.645085     1000   0.68718719    4.9951323 
+  319000    19.806831     1000   0.68419901    5.0108403 
+  320000     19.97005     1000   0.68045269    5.0265482 
+  321000    20.130643     1000   0.68430036    5.0422562 
+  322000    20.291637     1000   0.68195368    5.0579642 
+  323000    20.457605     1000   0.67964011    5.0736721 
+  324000    20.621699     1000   0.67681293    5.0893801 
+  325000     20.78525     1000   0.67601868    5.1050881 
+  326000    20.950321     1000   0.67600265     5.120796 
+  327000     21.11346     1000   0.68484094     5.136504 
+  328000    21.276964     1000   0.68526189     5.152212 
+  329000    21.440971     1000   0.67602072    5.1679199 
+  330000    21.609791     1000   0.68222852    5.1836279 
+  331000    21.773574     1000   0.68825647    5.1993358 
+  332000     21.93854     1000   0.68168415    5.2150438 
+  333000    22.102281     1000   0.67460357    5.2307518 
+  334000    22.265741     1000   0.67747925    5.2464597 
+  335000    22.436954     1000     0.681763    5.2621677 
+  336000    22.614367     1000   0.67611867    5.2778757 
+  337000    22.779064     1000   0.66903217    5.2935836 
+  338000    22.945739     1000    0.6684293    5.3092916 
+  339000    23.111375     1000   0.66465194    5.3249995 
+  340000    23.278674     1000   0.66226848    5.3407075 
+  341000    23.444642     1000   0.66407188    5.3564155 
+  342000    23.614615     1000   0.65762812    5.3721234 
+  343000    23.785007     1000   0.66936507    5.3878314 
+  344000    23.956265     1000   0.67424224    5.4035394 
+  345000    24.129057     1000     0.684271    5.4192473 
+  346000    24.303073     1000   0.68294352    5.4349553 
+  347000    24.475812     1000   0.69795697    5.4506633 
+  348000    24.652771     1000   0.69818863    5.4663712 
+  349000    24.830973     1000   0.69578798    5.4820792 
+  350000     25.00923     1000   0.69377251    5.4977871 
+  351000    25.185421     1000   0.69638202    5.5134951 
+  352000    25.363647     1000   0.70115823    5.5292031 
+  353000    25.540517     1000   0.70891635     5.544911 
+  354000    25.718709     1000   0.70876639     5.560619 
+  355000    25.893633     1000   0.71130235     5.576327 
+  356000    26.068423     1000   0.69380913    5.5920349 
+  357000    26.243801     1000   0.67934899    5.6077429 
+  358000    26.418883     1000   0.67024516    5.6234508 
+  359000    26.594722     1000   0.66145645    5.6391588 
+  360000    26.770322     1000   0.65335546    5.6548668 
+  361000    26.946396     1000   0.65495192    5.6705747 
+  362000     27.12296     1000   0.64973833    5.6862827 
+  363000    27.298461     1000   0.64532381    5.7019907 
+  364000    27.473586     1000   0.64282855    5.7176986 
+  365000    27.653872     1000   0.64451862    5.7334066 
+  366000    27.830317     1000   0.64366439    5.7491146 
+  367000    28.007037     1000   0.64395479    5.7648225 
+  368000    28.184079     1000   0.65827587    5.7805305 
+  369000    28.376009     1000   0.66311341    5.7962384 
+  370000    28.557287     1000   0.66165026    5.8119464 
+  371000    28.736569     1000   0.66878374    5.8276544 
+  372000     28.91063     1000   0.66944548    5.8433623 
+  373000    29.084648     1000   0.66061945    5.8590703 
+  374000    29.258649     1000   0.65320954    5.8747783 
+  375000    29.433156     1000   0.64641195    5.8904862 
+  376000    29.611781     1000   0.64631388    5.9061942 
+  377000     29.78531     1000   0.64232398    5.9219022 
+  378000    29.955917     1000   0.63805257    5.9376101 
+  379000    30.126378     1000   0.63666047    5.9533181 
+  380000    30.297285     1000   0.63651856     5.969026 
+  381000    30.471635     1000    0.6377374     5.984734 
+  382000    30.644813     1000   0.64750107     6.000442 
+  383000    30.816208     1000   0.65655138    6.0161499 
+  384000    30.986444     1000   0.65408935    6.0318579 
+  385000    31.156501     1000   0.64437236    6.0475659 
+  386000    31.327665     1000   0.63862174    6.0632738 
+  387000     31.49731     1000   0.64133807    6.0789818 
+  388000    31.682031     1000   0.64174374    6.0946897 
+  389000     31.85148     1000   0.64480071    6.1103977 
+  390000    32.020336     1000   0.64982943    6.1261057 
+  391000    32.187634     1000    0.6461109    6.1418136 
+  392000    32.357282     1000   0.64044412    6.1575216 
+  393000    32.527796     1000   0.64662995    6.1732296 
+  394000    32.704323     1000   0.65330527    6.1889375 
+  395000    32.880643     1000   0.66026265    6.2046455 
+  396000    33.048614     1000    0.6718969    6.2203535 
+  397000    33.222059     1000   0.66481385    6.2360614 
+  398000    33.391738     1000   0.66685494    6.2517694 
+  399000    33.560431     1000    0.6612594    6.2674773 
+  400000    33.729715     1000   0.65289572    6.2831853 
+Loop time of 33.7298 on 4 procs for 200000 steps with 1000 atoms
+
+Performance: 24207.249 tau/day, 5929.470 timesteps/s
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.6748     | 2.6848     | 3.6646     |  58.4 |  7.96
+Neigh   | 0.021206   | 0.026438   | 0.03191    |   3.1 |  0.08
+Comm    | 6.133      | 7.3745     | 8.6652     |  45.0 | 21.86
+Output  | 0.0053763  | 0.016101   | 0.044719   |  13.0 |  0.05
+Modify  | 18.26      | 20.115     | 22.413     |  39.2 | 59.64
+Other   |            | 3.513      |            |       | 10.42
+
+Nlocal:    250 ave 266 max 230 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Nghost:    401.5 ave 476 max 325 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    1264 ave 1634 max 895 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+
+Total # of neighbors = 5056
+Ave neighs/atom = 5.056
+Neighbor list builds = 160
+Dangerous builds = 0
+Total wall time: 0:00:54
diff --git a/examples/granregion/log.6Oct16.granregion.box.g++.1 b/examples/granregion/log.6Oct16.granregion.box.g++.1
deleted file mode 100644
index ae2ec694e9..0000000000
--- a/examples/granregion/log.6Oct16.granregion.box.g++.1
+++ /dev/null
@@ -1,468 +0,0 @@
-LAMMPS (5 Oct 2016)
-# pouring spheres into container box
-
-units		lj
-atom_style      sphere
-boundary        f f f
-dimension	3
-comm_modify     vel yes
-
-region          box block -10 10 -10 10 -10 10 units box
-create_box      2 box
-Created orthogonal box = (-10 -10 -10) to (10 10 10)
-  1 by 1 by 1 MPI processor grid
-
-pair_style	hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
-pair_coeff	* * gran/hooke
-
-region          container block -6 6 -6 6 -6 6 units box
-fix		container all wall/gran/region hooke/history 		4000.0 NULL 100.0 NULL 0.5 1 region container
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix             2 all nve/sphere
-fix		3 all gravity 1.0 vector 0 0 -1
-
-region          slab block -2 2 -2 2 -2 2 units box
-fix             ins all pour 100 2 4767548 vol 0.4 10 	        diam one 1.0 region slab ignore
-Particle insertion: 48 every 566 steps, 100 by step 1133
-
-timestep	0.005
-
-compute         1 all temp
-compute_modify  1 dynamic yes
-
-compute         2 all temp/sphere
-compute_modify  2 dynamic yes
-
-thermo		100
-thermo_style	custom step atoms temp c_1 c_2 press
-thermo_modify   lost ignore
-compute_modify  thermo_temp dynamic yes
-
-#dump		2 all image 100 image.*.jpg type type #		zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
-#dump_modify	2 pad 5
-
-run	        5000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 31 31 31
-Memory usage per processor = 0.201172 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-       0        0            0            0            0            0 
-     100       21   0.54270729   0.54270729   0.26473526 0.0013567682 
-     200       21   0.87606961   0.87606961   0.42735103  0.002190174 
-     300       21    1.1428374    1.1428374   0.55748167 0.0028570936 
-     400       21    1.3543103    1.3543103   0.66829516 0.0033857758 
-     500       21    1.0677786    1.0677786   0.53582407 0.0045048164 
-     600       56    0.6744286    0.6744286    0.3502938 0.0047464584 
-     700       56   0.75569283   0.75569283   0.39779462 0.0051953882 
-     800       56   0.61597505   0.61597505   0.32943642 0.0086022783 
-     900       56   0.65260802   0.65260802   0.34474044 0.0059298996 
-    1000       56   0.51624952   0.51624952   0.28326898 0.0067827337 
-    1100       56   0.46050076   0.46050076   0.25656319 0.0061891094 
-    1200       81   0.39112377   0.39112377   0.21690744 0.0086559347 
-    1300       81   0.33302801   0.33302801   0.19110222 0.0033381288 
-    1400       81   0.39333146   0.39333146   0.21220965 0.0041348597 
-    1500       81   0.35493951   0.35493951   0.19924958   0.00373736 
-    1600       81   0.34154491   0.34154491   0.19031147  0.005349672 
-    1700      100   0.25598828   0.25598828   0.14171498 0.0092236643 
-    1800      100    0.2114074    0.2114074   0.12162965 0.0027213483 
-    1900      100   0.21810423   0.21810423   0.12176698 0.0036436034 
-    2000      100    0.2553198    0.2553198   0.13900087 0.0032844504 
-    2100      100   0.24809937   0.24809937   0.13753654 0.0088764373 
-    2200      100   0.22455642   0.22455642   0.12500977 0.0043517009 
-    2300      100   0.19586874   0.19586874   0.11064996 0.0055178814 
-    2400      100  0.059619074  0.059619074  0.045535036 0.00079051539 
-    2500      100  0.052222462  0.052222462  0.038563852 0.00098981299 
-    2600      100  0.036930777  0.036930777  0.027579114 0.0012285499 
-    2700      100  0.027937818  0.027937818  0.020587353 0.00063085447 
-    2800      100   0.02103783   0.02103783  0.015469157 0.00050316582 
-    2900      100  0.010408128  0.010408128 0.0084894275 0.00035440391 
-    3000      100 0.0077664382 0.0077664382 0.0068149074 0.0011153614 
-    3100      100 0.0088789208 0.0088789208 0.0070143391 0.00032679783 
-    3200      100 0.0077683432 0.0077683432 0.0059711038 0.00044762363 
-    3300      100      0.00411      0.00411   0.00372409 0.00015328221 
-    3400      100 0.0039192171 0.0039192171 0.0032409072 9.3603399e-05 
-    3500      100 0.0023532199 0.0023532199 0.0020924799 0.00049044152 
-    3600      100 0.0022544513 0.0022544513 0.0019545724 8.1086108e-05 
-    3700      100 0.0012696379 0.0012696379 0.0013134108 5.0058058e-05 
-    3800      100 0.0012035225 0.0012035225 0.0012490584 6.0331967e-05 
-    3900      100 0.00080361803 0.00080361803 0.00094424552 6.7229227e-05 
-    4000      100 0.00060715659 0.00060715659 0.00076521759 6.7029916e-05 
-    4100      100 0.00058510487 0.00058510487 0.00073844578 5.5867098e-05 
-    4200      100 0.00046832309 0.00046832309 0.00060848748 5.3853715e-05 
-    4300      100 0.00045207186 0.00045207186 0.00057825336 4.8367831e-05 
-    4400      100 0.00041874845 0.00041874845 0.00053103589 8.666037e-05 
-    4500      100 0.00041136295 0.00041136295 0.00052246056 6.0456585e-05 
-    4600      100 0.00041021147 0.00041021147 0.0005190668 4.8701604e-05 
-    4700      100 0.00037176253 0.00037176253 0.00049156279 5.8874891e-05 
-    4800      100 0.0003262417 0.0003262417 0.00045551846 5.0610728e-05 
-    4900      100 0.00028093583 0.00028093583 0.00042099654 4.6558605e-05 
-    5000      100 0.00027730599 0.00027730599 0.00041664922 4.7053044e-05 
-Loop time of 0.081454 on 1 procs for 5000 steps with 100 atoms
-
-Performance: 26518022.146 tau/day, 61384.311 timesteps/s
-99.4% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0085223  | 0.0085223  | 0.0085223  |   0.0 | 10.46
-Neigh   | 0.01466    | 0.01466    | 0.01466    |   0.0 | 18.00
-Comm    | 0.00076532 | 0.00076532 | 0.00076532 |   0.0 |  0.94
-Output  | 0.00052285 | 0.00052285 | 0.00052285 |   0.0 |  0.64
-Modify  | 0.05317    | 0.05317    | 0.05317    |   0.0 | 65.28
-Other   |            | 0.003814   |            |       |  4.68
-
-Nlocal:    100 ave 100 max 100 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    158 ave 158 max 158 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 158
-Ave neighs/atom = 1.58
-Neighbor list builds = 306
-Dangerous builds = 0
-
-region          container delete
-variable        theta equal (step-5000)*(4.0*PI/5000)
-region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 0 0 1
-run	        5000
-Memory usage per processor = 5.26337 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-    5000      100 0.00027730599 0.00027730599 0.00041664922 4.705763e-05 
-    5100      100   0.60717077   0.60717077   0.33118944  0.010686501 
-    5200      100   0.64991179   0.64991179   0.35498767  0.011370453 
-    5300      100   0.72038713   0.72038713   0.38745069  0.010507667 
-    5400      100   0.81357499   0.81357499   0.42946808  0.012920419 
-    5500      100   0.90488411   0.90488411   0.46803321  0.015077428 
-    5600      100   0.99065617   0.99065617   0.50811954  0.015556572 
-    5700      100    1.0701203    1.0701203   0.54641187  0.016464366 
-    5800      100    1.1351242    1.1351242   0.57607707  0.017832476 
-    5900      100    1.1883602    1.1883602   0.60022389  0.019571838 
-    6000      100    1.2153421    1.2153421   0.61245652  0.020549414 
-    6100      100    1.2369293    1.2369293   0.62229634   0.01827529 
-    6200      100    1.2556883    1.2556883   0.63207905  0.020286322 
-    6300      100    1.2618555    1.2618555   0.63610311  0.019844583 
-    6400      100    1.2671678    1.2671678   0.63873131  0.019817249 
-    6500      100    1.2875312    1.2875312   0.64728693  0.020097362 
-    6600      100    1.3014055    1.3014055   0.65413071  0.020000886 
-    6700      100    1.2904021    1.2904021    0.6485358  0.020009625 
-    6800      100    1.2962767    1.2962767   0.65088367  0.021340143 
-    6900      100    1.3056081    1.3056081   0.65490644  0.020455771 
-    7000      100    1.3116731    1.3116731   0.65766216  0.020475061 
-    7100      100     1.319457     1.319457   0.66105016  0.020937651 
-    7200      100    1.3213585    1.3213585   0.66207982   0.02120792 
-    7300      100    1.3232411    1.3232411   0.66392391  0.021040683 
-    7400      100    1.3300163    1.3300163   0.66599805  0.021202273 
-    7500      100    1.3350122    1.3350122   0.66894534  0.021161833 
-    7600      100    1.3344633    1.3344633    0.6688403  0.020871936 
-    7700      100    1.3492825    1.3492825    0.6751371  0.021415859 
-    7800      100    1.3539647    1.3539647   0.67757279  0.021306442 
-    7900      100    1.3527157    1.3527157   0.67722774  0.021793531 
-    8000      100    1.3526931    1.3526931   0.67713399  0.022973395 
-    8100      100    1.3568279    1.3568279   0.67936578  0.021422428 
-    8200      100    1.3599258    1.3599258   0.68113142  0.021397012 
-    8300      100    1.3601893    1.3601893   0.68165656  0.021643375 
-    8400      100    1.3752164    1.3752164   0.68788213  0.022208765 
-    8500      100    1.3821458    1.3821458   0.69165274  0.022015877 
-    8600      100    1.3784691    1.3784691   0.68964478  0.022144188 
-    8700      100    1.3801422    1.3801422    0.6904093    0.0220402 
-    8800      100    1.3900051    1.3900051    0.6947875   0.02216362 
-    8900      100    1.3897902    1.3897902   0.69427134  0.023078569 
-    9000      100    1.3909918    1.3909918   0.69456955  0.022043699 
-    9100      100    1.3925028    1.3925028   0.69519141  0.022180156 
-    9200      100    1.3923277    1.3923277   0.69512657  0.022113729 
-    9300      100    1.3945193    1.3945193   0.69625374  0.022344694 
-    9400      100    1.3960782    1.3960782   0.69705144  0.022181158 
-    9500      100    1.3932407    1.3932407   0.69560365  0.022129998 
-    9600      100    1.3925489    1.3925489   0.69532399  0.022124653 
-    9700      100    1.3935299    1.3935299   0.69581607  0.022258368 
-    9800      100    1.3933949    1.3933949   0.69579137  0.022209028 
-    9900      100    1.3934712    1.3934712   0.69587898  0.022214942 
-   10000      100    1.3935828    1.3935828   0.69598655  0.022231414 
-Loop time of 0.261407 on 1 procs for 5000 steps with 100 atoms
-
-Performance: 8262972.563 tau/day, 19127.251 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.042233   | 0.042233   | 0.042233   |   0.0 | 16.16
-Neigh   | 0.035131   | 0.035131   | 0.035131   |   0.0 | 13.44
-Comm    | 0.0010462  | 0.0010462  | 0.0010462  |   0.0 |  0.40
-Output  | 0.00051785 | 0.00051785 | 0.00051785 |   0.0 |  0.20
-Modify  | 0.17687    | 0.17687    | 0.17687    |   0.0 | 67.66
-Other   |            | 0.00561    |            |       |  2.15
-
-Nlocal:    100 ave 100 max 100 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    187 ave 187 max 187 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 187
-Ave neighs/atom = 1.87
-Neighbor list builds = 634
-Dangerous builds = 0
-
-region          container delete
-region          container block -6 6 -6 6 -6 6 units box
-run             5000
-Memory usage per processor = 5.26337 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   10000      100    1.3935828    1.3935828   0.69598655   0.02230659 
-   10100      100    0.3402861    0.3402861   0.19584226  0.014767914 
-   10200      100   0.19064555   0.19064555   0.12536788 0.0025413789 
-   10300      100   0.13281358   0.13281358   0.10275768  0.002843208 
-   10400      100   0.10124671   0.10124671  0.077914135 0.0017745353 
-   10500      100  0.082636734  0.082636734  0.063857622  0.001419336 
-   10600      100  0.066744462  0.066744462  0.051927437 0.0010830674 
-   10700      100  0.060778462  0.060778462  0.047461784 0.0011418844 
-   10800      100  0.043437178  0.043437178  0.032805669 0.0017050393 
-   10900      100  0.036483219  0.036483219  0.027387805 0.00086936813 
-   11000      100  0.027639076  0.027639076  0.021221241 0.00054920607 
-   11100      100  0.023614696  0.023614696  0.018445634 0.00058724552 
-   11200      100  0.020103248  0.020103248  0.015933089 0.00072830275 
-   11300      100  0.018645345  0.018645345  0.014559759 0.0002319388 
-   11400      100  0.015499672  0.015499672   0.01248828 0.00036020862 
-   11500      100  0.013421296  0.013421296  0.010743248 0.00043093929 
-   11600      100  0.011214892  0.011214892 0.0089653924 0.00059789544 
-   11700      100 0.0086660806 0.0086660806 0.0070563902 0.00029684573 
-   11800      100 0.0064777244 0.0064777244 0.0052946156 0.00046466386 
-   11900      100 0.0059360881 0.0059360881 0.0048568813 8.361561e-05 
-   12000      100 0.0045341025 0.0045341025  0.003883229 0.00016408047 
-   12100      100 0.0042504415 0.0042504415 0.0036944958 6.5005147e-05 
-   12200      100 0.0041367637 0.0041367637 0.0035928232 7.3025698e-05 
-   12300      100 0.0037700129 0.0037700129  0.003283398 6.381318e-05 
-   12400      100 0.0033494476 0.0033494476 0.0029274495 4.7731105e-05 
-   12500      100 0.0030903175 0.0030903175 0.0027068073 6.797313e-05 
-   12600      100 0.0026406999 0.0026406999 0.0023315387 0.0002371331 
-   12700      100 0.0025020713 0.0025020713 0.0022367855 4.2787276e-05 
-   12800      100 0.0022977381 0.0022977381 0.0020778307 3.9744567e-05 
-   12900      100  0.002039634  0.002039634 0.0018862012 0.00011669223 
-   13000      100 0.0018044702 0.0018044702   0.00171399 0.00013835538 
-   13100      100 0.0016600965 0.0016600965 0.0015553191 3.2320019e-05 
-   13200      100 0.0015596204 0.0015596204  0.001486374 1.9246911e-05 
-   13300      100  0.001316505  0.001316505 0.0012105249 9.1469679e-05 
-   13400      100 0.0012517536 0.0012517536 0.0011525753 4.815292e-05 
-   13500      100 0.0010827608 0.0010827608  0.001038339 2.0913017e-05 
-   13600      100 0.0009863908 0.0009863908 0.00095924929 9.7716736e-05 
-   13700      100 0.00094543599 0.00094543599 0.00092425645 1.378887e-05 
-   13800      100 0.00087893271 0.00087893271 0.00086801608 1.8981177e-05 
-   13900      100 0.00080241572 0.00080241572 0.0007930026 5.0987122e-05 
-   14000      100 0.00070705631 0.00070705631 0.00069238137 1.2900066e-05 
-   14100      100 0.0006525032 0.0006525032  0.000637991 0.00010838464 
-   14200      100 0.00059338444 0.00059338444 0.00057560454 7.3431324e-06 
-   14300      100 0.00058641228 0.00058641228 0.00056944735 7.256852e-06 
-   14400      100 0.00056221112 0.00056221112 0.00054625666 8.1343426e-06 
-   14500      100 0.00055493127 0.00055493127 0.00053957583 1.1713058e-05 
-   14600      100 0.00052854921 0.00052854921 0.00051816618 8.6527225e-06 
-   14700      100 0.00052630581 0.00052630581 0.00051584277 6.4890475e-06 
-   14800      100 0.00052563819 0.00052563819 0.00051493123 1.2687153e-05 
-   14900      100 0.00052131364 0.00052131364 0.00050917244 7.4589995e-08 
-   15000      100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06 
-Loop time of 0.0895741 on 1 procs for 5000 steps with 100 atoms
-
-Performance: 24114113.723 tau/day, 55819.708 timesteps/s
-99.3% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0098987  | 0.0098987  | 0.0098987  |   0.0 | 11.05
-Neigh   | 0.0061045  | 0.0061045  | 0.0061045  |   0.0 |  6.81
-Comm    | 0.00069976 | 0.00069976 | 0.00069976 |   0.0 |  0.78
-Output  | 0.00049758 | 0.00049758 | 0.00049758 |   0.0 |  0.56
-Modify  | 0.068435   | 0.068435   | 0.068435   |   0.0 | 76.40
-Other   |            | 0.003939   |            |       |  4.40
-
-Nlocal:    100 ave 100 max 100 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    160 ave 160 max 160 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 160
-Ave neighs/atom = 1.6
-Neighbor list builds = 111
-Dangerous builds = 0
-
-region          container delete
-variable        theta equal (step-15000)*(4.0*PI/5000)
-region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 1 1 1
-run	        5000
-Memory usage per processor = 5.26337 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   15000      100 0.00051902191 0.00051902191 0.00050725364 6.4228962e-06 
-   15100      100    1.1235353    1.1235353   0.72003773  0.013686681 
-   15200      100    1.0778556    1.0778556   0.69137925  0.013478363 
-   15300      100     1.069015     1.069015   0.69798184  0.014165255 
-   15400      100    1.2249943    1.2249943   0.79096059  0.020933395 
-   15500      100    1.5225664    1.5225664   0.94822282  0.023932611 
-   15600      100    1.5867194    1.5867194   0.98143504  0.024565132 
-   15700      100    1.6595267    1.6595267    1.0203985  0.025152432 
-   15800      100    1.8188027    1.8188027    1.0857586  0.031597641 
-   15900      100    1.9234102    1.9234102    1.1099361  0.032381895 
-   16000      100     2.039435     2.039435    1.1656948  0.032501981 
-   16100      100      2.17315      2.17315    1.2265552  0.032675825 
-   16200      100    2.2017279    2.2017279      1.23995  0.028634878 
-   16300      100    2.3510902    2.3510902    1.3055642   0.03248003 
-   16400      100     2.373932     2.373932    1.3059254  0.031292969 
-   16500      100    2.5010862    2.5010862    1.3607219  0.032322054 
-   16600      100    2.4815092    2.4815092    1.3524159  0.031223889 
-   16700      100    2.6549226    2.6549226    1.4383508  0.033713507 
-   16800      100    2.8087564    2.8087564    1.5261538  0.036598837 
-   16900      100    2.8653588    2.8653588    1.5649123  0.035890231 
-   17000      100     2.903748     2.903748    1.5907716  0.038038745 
-   17100      100    2.9679376    2.9679376    1.6195577  0.051771432 
-   17200      100    2.9632377    2.9632377    1.6233074  0.039825751 
-   17300      100    3.0436883    3.0436883    1.6591248  0.042862982 
-   17400      100    3.0969015    3.0969015    1.6811582  0.042104811 
-   17500      100    3.0827135    3.0827135     1.691414  0.045839327 
-   17600      100    3.0854805    3.0854805     1.689399  0.041770144 
-   17700      100      3.07523      3.07523    1.6685518  0.045104715 
-   17800      100    2.9610899    2.9610899    1.6349099  0.039060791 
-   17900      100    2.8002989    2.8002989    1.5665223  0.037917927 
-   18000      100    2.9139644    2.9139644    1.6206891  0.050841302 
-   18100      100    3.0134757    3.0134757    1.6673916  0.040967255 
-   18200      100    3.0731184    3.0731184    1.6777507  0.043503474 
-   18300      100    3.0915242    3.0915242    1.6843452  0.040157898 
-   18400      100     3.098896     3.098896    1.6904524  0.039629218 
-   18500      100    3.1651814    3.1651814    1.7290259  0.042604953 
-   18600      100     3.353247     3.353247    1.8236992  0.045132486 
-   18700      100     3.540156     3.540156    1.9078363  0.046602063 
-   18800      100    3.6395129    3.6395129    1.9578976  0.045659959 
-   18900      100    3.7638134    3.7638134    2.0179445  0.051061068 
-   19000      100    3.7603453    3.7603453     2.003355  0.057123184 
-   19100      100    3.9218495    3.9218495    2.0968869  0.057671742 
-   19200      100    3.9924222    3.9924222    2.1321955  0.051824898 
-   19300      100    3.9690887    3.9690887    2.1270643  0.054832867 
-   19400      100    3.9408481    3.9408481    2.1146593  0.057020024 
-   19500      100    3.8313782    3.8313782    2.0610797  0.055164704 
-   19600      100    3.8317496    3.8317496    2.0668123  0.049840804 
-   19700      100    3.6068628    3.6068628     1.964227   0.05142407 
-   19800      100    3.5477437    3.5477437    1.9314948  0.051076014 
-   19900      100    3.6526881    3.6526881    1.9855353  0.047130029 
-   20000      100    3.7243709    3.7243709    2.0380212  0.048446835 
-Loop time of 0.206397 on 1 procs for 5000 steps with 100 atoms
-
-Performance: 10465265.522 tau/day, 24225.152 timesteps/s
-100.3% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.014297   | 0.014297   | 0.014297   |   0.0 |  6.93
-Neigh   | 0.050213   | 0.050213   | 0.050213   |   0.0 | 24.33
-Comm    | 0.0011115  | 0.0011115  | 0.0011115  |   0.0 |  0.54
-Output  | 0.00051141 | 0.00051141 | 0.00051141 |   0.0 |  0.25
-Modify  | 0.13415    | 0.13415    | 0.13415    |   0.0 | 65.00
-Other   |            | 0.006114   |            |       |  2.96
-
-Nlocal:    100 ave 100 max 100 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    142 ave 142 max 142 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 142
-Ave neighs/atom = 1.42
-Neighbor list builds = 899
-Dangerous builds = 0
-
-region          container delete
-region          container block -6 6 -6 6 -6 6 units box
-run             5000
-Memory usage per processor = 5.26337 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   20000      100    3.7243709    3.7243709    2.0380212  0.048156434 
-   20100      100    1.1186527    1.1186527   0.69104385  0.014964891 
-   20200      100   0.91445605   0.91445605   0.57005236  0.011324474 
-   20300      100    0.8936601    0.8936601   0.55534411  0.011071843 
-   20400      100   0.90773143   0.90773143   0.55999953  0.011254101 
-   20500      100   0.91995508   0.91995508   0.55837916  0.011548541 
-   20600      100   0.91682167   0.91682167   0.54095261  0.012563797 
-   20700      100   0.97806337   0.97806337   0.56016442  0.012396925 
-   20800      100   0.97778738   0.97778738   0.55606194  0.015441479 
-   20900      100   0.77253213   0.77253213   0.44636799  0.011428992 
-   21000      100   0.63053468   0.63053468   0.35995394   0.01005502 
-   21100      100   0.25437539   0.25437539   0.16544433  0.004628738 
-   21200      100   0.11828032   0.11828032  0.087911985 0.0037076362 
-   21300      100   0.11219312   0.11219312  0.080957112 0.0015847347 
-   21400      100   0.10765357   0.10765357  0.074676159 0.0022823419 
-   21500      100  0.060787093  0.060787093  0.046135213 0.00091422949 
-   21600      100  0.040447932  0.040447932  0.033050575 0.0013404194 
-   21700      100  0.035227782  0.035227782   0.02916621   0.00138779 
-   21800      100   0.03309101   0.03309101  0.026613861 0.00058184323 
-   21900      100  0.031461843  0.031461843  0.024751985 0.0013090333 
-   22000      100  0.021624144  0.021624144  0.017872639 0.0010893822 
-   22100      100  0.016728267  0.016728267   0.01403934 0.00049128736 
-   22200      100  0.016256915  0.016256915  0.013763903 0.00047288638 
-   22300      100   0.01349256   0.01349256  0.011498343 0.0013508309 
-   22400      100  0.010027007  0.010027007 0.0087924966 0.00030117996 
-   22500      100    0.0107355    0.0107355 0.0088715062  0.001043188 
-   22600      100 0.0095852245 0.0095852245  0.007965421 0.00028464236 
-   22700      100 0.0072956464 0.0072956464 0.0062403843 0.00061636772 
-   22800      100 0.0060874415 0.0060874415 0.0054788049 0.00021135824 
-   22900      100 0.0059688159 0.0059688159 0.0049530273 0.00022094116 
-   23000      100 0.0050218996 0.0050218996 0.0043518404 0.00022527705 
-   23100      100  0.005022208  0.005022208 0.0043118432 0.00052482006 
-   23200      100 0.0047096056 0.0047096056 0.0039698638 0.00026423471 
-   23300      100 0.0039510068 0.0039510068 0.0034773285 0.0001891104 
-   23400      100 0.0037308781 0.0037308781 0.0031763304 0.00027163016 
-   23500      100 0.0036278619 0.0036278619 0.0030371899 0.00017961072 
-   23600      100 0.0033598677 0.0033598677 0.0027586323 0.00015034494 
-   23700      100 0.0028530843 0.0028530843 0.0024809444 0.00012294415 
-   23800      100 0.0025388819 0.0025388819 0.0022812799 0.00018946676 
-   23900      100 0.0021129272 0.0021129272 0.0019905358 0.00015816903 
-   24000      100 0.0021010978 0.0021010978 0.0019864539 0.00017086049 
-   24100      100 0.0022189886 0.0022189886 0.0020466911 0.00030932562 
-   24200      100 0.0019226314 0.0019226314 0.0017933042 9.3246067e-05 
-   24300      100 0.0016875781 0.0016875781 0.0015999656 9.9935458e-05 
-   24400      100 0.0015929611 0.0015929611  0.001531011 9.7429139e-05 
-   24500      100 0.0015143044 0.0015143044 0.0014044175 9.807117e-05 
-   24600      100 0.0018595492 0.0018595492 0.0014740944 7.4734729e-05 
-   24700      100 0.0011646988 0.0011646988 0.0010881356 6.1197025e-05 
-   24800      100 0.0014641612 0.0014641612 0.0012316664  8.81462e-05 
-   24900      100  0.001024996  0.001024996 0.00094311114 5.8776472e-05 
-   25000      100 0.00097890442 0.00097890442 0.00090302317 3.3980657e-05 
-Loop time of 0.0954661 on 1 procs for 5000 steps with 100 atoms
-
-Performance: 22625823.872 tau/day, 52374.592 timesteps/s
-99.5% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.01234    | 0.01234    | 0.01234    |   0.0 | 12.93
-Neigh   | 0.015404   | 0.015404   | 0.015404   |   0.0 | 16.14
-Comm    | 0.00077391 | 0.00077391 | 0.00077391 |   0.0 |  0.81
-Output  | 0.000494   | 0.000494   | 0.000494   |   0.0 |  0.52
-Modify  | 0.062222   | 0.062222   | 0.062222   |   0.0 | 65.18
-Other   |            | 0.004233   |            |       |  4.43
-
-Nlocal:    100 ave 100 max 100 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    150 ave 150 max 150 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 150
-Ave neighs/atom = 1.5
-Neighbor list builds = 283
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/granregion/log.6Oct16.granregion.box.g++.4 b/examples/granregion/log.6Oct16.granregion.box.g++.4
deleted file mode 100644
index daaae2019e..0000000000
--- a/examples/granregion/log.6Oct16.granregion.box.g++.4
+++ /dev/null
@@ -1,468 +0,0 @@
-LAMMPS (5 Oct 2016)
-# pouring spheres into container box
-
-units		lj
-atom_style      sphere
-boundary        f f f
-dimension	3
-comm_modify     vel yes
-
-region          box block -10 10 -10 10 -10 10 units box
-create_box      2 box
-Created orthogonal box = (-10 -10 -10) to (10 10 10)
-  1 by 2 by 2 MPI processor grid
-
-pair_style	hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
-pair_coeff	* * gran/hooke
-
-region          container block -6 6 -6 6 -6 6 units box
-fix		container all wall/gran/region hooke/history 		4000.0 NULL 100.0 NULL 0.5 1 region container
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix             2 all nve/sphere
-fix		3 all gravity 1.0 vector 0 0 -1
-
-region          slab block -2 2 -2 2 -2 2 units box
-fix             ins all pour 100 2 4767548 vol 0.4 10 	        diam one 1.0 region slab ignore
-Particle insertion: 48 every 566 steps, 100 by step 1133
-
-timestep	0.005
-
-compute         1 all temp
-compute_modify  1 dynamic yes
-
-compute         2 all temp/sphere
-compute_modify  2 dynamic yes
-
-thermo		100
-thermo_style	custom step atoms temp c_1 c_2 press
-thermo_modify   lost ignore
-compute_modify  thermo_temp dynamic yes
-
-#dump		2 all image 100 image.*.jpg type type #		zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
-#dump_modify	2 pad 5
-
-run	        5000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 31 31 31
-Memory usage per processor = 0.0990257 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-       0        0            0            0            0            0 
-     100       21   0.54270729   0.54270729   0.26473526 0.0013567682 
-     200       21   0.87606961   0.87606961   0.42735103  0.002190174 
-     300       21    1.1428374    1.1428374   0.55748167 0.0028570936 
-     400       21    1.3543103    1.3543103   0.66829516 0.0033857758 
-     500       21    1.0677786    1.0677786   0.53582407 0.0045048164 
-     600       56    0.6744286    0.6744286    0.3502938 0.0047464584 
-     700       56   0.75569283   0.75569283   0.39779462 0.0051953882 
-     800       56   0.61597505   0.61597505   0.32943642 0.0086022783 
-     900       56   0.65260802   0.65260802   0.34474044 0.0059298996 
-    1000       56   0.51624952   0.51624952   0.28326898 0.0067827337 
-    1100       56   0.46050076   0.46050076   0.25656319 0.0061891094 
-    1200       81   0.39112377   0.39112377   0.21690744 0.0086559347 
-    1300       81   0.33302801   0.33302801   0.19110222 0.0033381288 
-    1400       81   0.39333146   0.39333146   0.21220965 0.0041348597 
-    1500       81   0.35493951   0.35493951   0.19924958   0.00373736 
-    1600       81   0.34154491   0.34154491   0.19031147  0.005349672 
-    1700      100   0.25598828   0.25598828   0.14171498 0.0092236643 
-    1800      100    0.2114074    0.2114074   0.12162965 0.0027213483 
-    1900      100   0.21810423   0.21810423   0.12176698 0.0036436054 
-    2000      100    0.2553198    0.2553198   0.13900087 0.0032844518 
-    2100      100   0.24809936   0.24809936   0.13753654 0.0088764777 
-    2200      100   0.22455625   0.22455625   0.12500973 0.0043515755 
-    2300      100   0.19586871   0.19586871   0.11064996 0.0055176298 
-    2400      100  0.059621411  0.059621411  0.045535517 0.00079910861 
-    2500      100  0.052217518  0.052217518  0.038542594 0.0009759424 
-    2600      100  0.036907358  0.036907358  0.027550263 0.0014047668 
-    2700      100  0.027926944  0.027926944  0.020599405 0.00063362027 
-    2800      100  0.020876282  0.020876282  0.015385856 0.00066161626 
-    2900      100  0.010390963  0.010390963 0.0085038611 0.00026222195 
-    3000      100 0.0080105974 0.0080105974  0.006995365 0.00059521652 
-    3100      100 0.0087388005 0.0087388005 0.0069051613 0.00028045343 
-    3200      100 0.0078828927 0.0078828927 0.0060159861 0.00014819289 
-    3300      100 0.0039336821 0.0039336821 0.0036525886 0.0001439482 
-    3400      100 0.0037684472 0.0037684472 0.0031531439 0.00010653386 
-    3500      100 0.0023527874 0.0023527874 0.0020983632 6.3797052e-05 
-    3600      100 0.0018768162 0.0018768162 0.0017248798 0.00014904114 
-    3700      100   0.00135595   0.00135595 0.0013962044 6.2461444e-05 
-    3800      100 0.0012673777 0.0012673777 0.0013074364 0.00028034063 
-    3900      100 0.00081311806 0.00081311806 0.00095642595 7.9543605e-05 
-    4000      100 0.00059774673 0.00059774673 0.00074849615 6.8190201e-05 
-    4100      100 0.00052811986 0.00052811986 0.00067263919 5.012633e-05 
-    4200      100 0.00049555855 0.00049555855 0.00061736675 4.9888372e-05 
-    4300      100 0.00048274473 0.00048274473 0.00059050389 5.1381757e-05 
-    4400      100 0.00047341333 0.00047341333 0.00058083446  5.02623e-05 
-    4500      100 0.00046792237 0.00046792237 0.00057416894 4.9019652e-05 
-    4600      100 0.00046035378 0.00046035378 0.00056694823 6.0353699e-05 
-    4700      100 0.00038114933 0.00038114933 0.0004980117 6.5173515e-05 
-    4800      100 0.0003783967 0.0003783967 0.00049488428 4.8463898e-05 
-    4900      100 0.00027940611 0.00027940611 0.00041517649 5.0979155e-05 
-    5000      100 0.00026071989 0.00026071989 0.00040045214 5.151673e-05 
-Loop time of 0.0799825 on 4 procs for 5000 steps with 100 atoms
-
-Performance: 27005901.076 tau/day, 62513.660 timesteps/s
-96.6% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00093961 | 0.0032012  | 0.0054553  |   3.8 |  4.00
-Neigh   | 0.0032456  | 0.0046872  | 0.0061908  |   2.0 |  5.86
-Comm    | 0.014328   | 0.02121    | 0.029619   |   4.7 | 26.52
-Output  | 0.0011828  | 0.0014142  | 0.0015574  |   0.4 |  1.77
-Modify  | 0.002455   | 0.013876   | 0.026567   |   9.6 | 17.35
-Other   |            | 0.03559    |            |       | 44.50
-
-Nlocal:    25 ave 51 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    4.75 ave 11 max 0 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Neighs:    39.5 ave 85 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-
-Total # of neighbors = 158
-Ave neighs/atom = 1.58
-Neighbor list builds = 305
-Dangerous builds = 0
-
-region          container delete
-variable        theta equal (step-5000)*(4.0*PI/5000)
-region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 0 0 1
-run	        5000
-Memory usage per processor = 5.16122 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-    5000      100 0.00026071989 0.00026071989 0.00040045214 5.1497323e-05 
-    5100      100   0.66352492   0.66352492   0.35750241  0.015948709 
-    5200      100    0.6922229    0.6922229   0.37176131  0.011025479 
-    5300      100   0.76307067   0.76307067   0.40325027  0.010979511 
-    5400      100   0.83871418   0.83871418   0.43756084  0.012600965 
-    5500      100   0.93090048   0.93090048    0.4817574  0.012306942 
-    5600      100   0.98338567   0.98338567   0.50374148  0.015434412 
-    5700      100    1.0455442    1.0455442   0.53265847  0.017959409 
-    5800      100    1.1081511    1.1081511   0.56112842  0.018832417 
-    5900      100    1.1724309    1.1724309   0.59276447  0.019257973 
-    6000      100    1.1914813    1.1914813   0.60201665  0.019694573 
-    6100      100    1.2417733    1.2417733   0.62578893  0.019616524 
-    6200      100    1.2612898    1.2612898   0.63503847  0.020442394 
-    6300      100    1.2657345    1.2657345   0.63714395  0.020498843 
-    6400      100    1.2678009    1.2678009   0.63828941  0.019900919 
-    6500      100     1.284156     1.284156   0.64724666  0.020147256 
-    6600      100    1.3090278    1.3090278   0.65925035   0.02136883 
-    6700      100    1.3122075    1.3122075   0.66136807  0.020782325 
-    6800      100    1.3147107    1.3147107   0.66026206  0.022887611 
-    6900      100    1.3185295    1.3185295   0.66157265  0.021249838 
-    7000      100    1.3232771    1.3232771   0.66334852  0.021738995 
-    7100      100    1.3375003    1.3375003   0.67017176  0.021997185 
-    7200      100    1.3349835    1.3349835   0.66895884  0.022149977 
-    7300      100    1.3388711    1.3388711   0.67061163  0.021662545 
-    7400      100     1.338676     1.338676   0.67074642  0.021076102 
-    7500      100    1.3409052    1.3409052   0.67205098  0.021664853 
-    7600      100    1.3499236    1.3499236   0.67612412  0.021653422 
-    7700      100    1.3479719    1.3479719   0.67510646  0.021873569 
-    7800      100    1.3489138    1.3489138   0.67563223  0.021419315 
-    7900      100     1.357018     1.357018    0.6795804  0.022201202 
-    8000      100    1.3540513    1.3540513   0.67843711   0.02275761 
-    8100      100    1.3560429    1.3560429   0.67947065  0.022421723 
-    8200      100    1.3590694    1.3590694    0.6806094  0.022004213 
-    8300      100    1.3592154    1.3592154   0.68083948  0.021923269 
-    8400      100    1.3601392    1.3601392   0.68121418  0.022155184 
-    8500      100    1.3622149    1.3622149    0.6824182  0.022126924 
-    8600      100    1.3651697    1.3651697   0.68397342  0.022195287 
-    8700      100    1.3679254    1.3679254   0.68540978  0.023609651 
-    8800      100    1.3686254    1.3686254   0.68559712   0.02242291 
-    8900      100    1.3761277    1.3761277   0.68897201  0.023594162 
-    9000      100     1.379968     1.379968   0.69045216  0.022516846 
-    9100      100    1.3784732    1.3784732   0.68955121  0.022836115 
-    9200      100     1.376848     1.376848    0.6885551   0.02279321 
-    9300      100    1.3799231    1.3799231   0.68964009  0.023105818 
-    9400      100    1.3817992    1.3817992   0.69057466  0.023062265 
-    9500      100    1.3836544    1.3836544   0.69156755  0.024363244 
-    9600      100     1.388032     1.388032   0.69348762  0.024930983 
-    9700      100    1.3943738    1.3943738    0.6965703  0.024448451 
-    9800      100    1.3963094    1.3963094    0.6971039   0.02341203 
-    9900      100    1.3995489    1.3995489   0.69881652  0.023502542 
-   10000      100    1.3974742    1.3974742   0.69765474   0.02340004 
-Loop time of 0.18267 on 4 procs for 5000 steps with 100 atoms
-
-Performance: 11824571.055 tau/day, 27371.692 timesteps/s
-99.1% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0010765  | 0.012038   | 0.023519   |   9.9 |  6.59
-Neigh   | 0.0057316  | 0.010541   | 0.015351   |   4.6 |  5.77
-Comm    | 0.0067229  | 0.017007   | 0.028509   |   7.8 |  9.31
-Output  | 0.0011928  | 0.002021   | 0.0027668  |   1.6 |  1.11
-Modify  | 0.009697   | 0.053707   | 0.098413   |  19.0 | 29.40
-Other   |            | 0.08736    |            |       | 47.82
-
-Nlocal:    25 ave 51 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    3.25 ave 8 max 0 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Neighs:    46.75 ave 104 max 0 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-
-Total # of neighbors = 187
-Ave neighs/atom = 1.87
-Neighbor list builds = 633
-Dangerous builds = 0
-
-region          container delete
-region          container block -6 6 -6 6 -6 6 units box
-run             5000
-Memory usage per processor = 5.16122 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   10000      100    1.3974742    1.3974742   0.69765474  0.023347613 
-   10100      100   0.34944285   0.34944285   0.20251378  0.019176827 
-   10200      100   0.22524385   0.22524385   0.14368424 0.0033260831 
-   10300      100   0.15243438   0.15243438   0.11070165 0.0064816535 
-   10400      100    0.1143586    0.1143586  0.087867032 0.0024091961 
-   10500      100  0.092025102  0.092025102  0.071291506 0.0030683413 
-   10600      100  0.071051442  0.071051442   0.05700858   0.00100243 
-   10700      100  0.058346771  0.058346771   0.04843626 0.0006073275 
-   10800      100  0.048700232  0.048700232  0.039550383 0.00091511006 
-   10900      100  0.036880936  0.036880936  0.029482183 0.0011698854 
-   11000      100  0.028768807  0.028768807  0.023865852 0.0011980794 
-   11100      100  0.022823005  0.022823005  0.018819891 0.0004639259 
-   11200      100  0.016954703  0.016954703  0.014075803 0.00085142865 
-   11300      100  0.015359685  0.015359685   0.01295219 0.00026241662 
-   11400      100  0.012748378  0.012748378  0.011085291 0.00045626939 
-   11500      100  0.010464459  0.010464459 0.0087024732 0.00029325411 
-   11600      100 0.0099186727 0.0099186727 0.0080127406 0.00031388584 
-   11700      100 0.0088308874 0.0088308874 0.0072317369 0.00017850972 
-   11800      100 0.0081740195 0.0081740195 0.0066522963 0.00012282618 
-   11900      100 0.0079005289 0.0079005289 0.0063346391 0.00010630403 
-   12000      100 0.0066277573 0.0066277573 0.0054122601 5.4791661e-05 
-   12100      100   0.00567928   0.00567928 0.0047331385 9.2668647e-05 
-   12200      100  0.005282803  0.005282803 0.0043827202 8.7820361e-05 
-   12300      100 0.0051590302 0.0051590302 0.0042806737 6.5433983e-05 
-   12400      100 0.0049013329 0.0049013329 0.0040882737 6.2007733e-05 
-   12500      100 0.0044725745 0.0044725745 0.0037535523 6.1132729e-05 
-   12600      100 0.0043131884 0.0043131884 0.0035845765 5.3375706e-05 
-   12700      100 0.0042020236 0.0042020236 0.0034902096 0.0001192142 
-   12800      100 0.0041367453 0.0041367453  0.003433341 0.00011052418 
-   12900      100 0.0039862367 0.0039862367 0.0033026224 5.2674711e-05 
-   13000      100 0.0033163769 0.0033163769 0.0028118123 5.9042575e-05 
-   13100      100 0.0030645983 0.0030645983  0.002571872 4.9521551e-05 
-   13200      100  0.002808301  0.002808301 0.0023652684 3.4748246e-05 
-   13300      100  0.002556475  0.002556475 0.0021699595 0.00042840611 
-   13400      100 0.0023430405 0.0023430405 0.0019913198 2.2687303e-05 
-   13500      100 0.0021422817 0.0021422817 0.0018017112 -6.7761855e-06 
-   13600      100 0.0020993702 0.0020993702  0.001749657 2.5979707e-05 
-   13700      100 0.0019871396 0.0019871396 0.0016647634 5.754995e-05 
-   13800      100 0.0017311886 0.0017311886 0.0014696399 2.1585018e-05 
-   13900      100 0.0016249641 0.0016249641 0.0013982224 2.0108931e-05 
-   14000      100 0.0015874763 0.0015874763 0.0013613318 0.00018348921 
-   14100      100 0.0013772541 0.0013772541 0.0012193388 1.9336869e-05 
-   14200      100 0.0013587865 0.0013587865 0.0012054213 1.807845e-05 
-   14300      100 0.0011824329 0.0011824329 0.0010348168 0.00017307518 
-   14400      100 0.0011387278 0.0011387278 0.0010010725 1.4091757e-05 
-   14500      100 0.0010441599 0.0010441599 0.00092205881 1.3630652e-05 
-   14600      100 0.00096839518 0.00096839518 0.00086828535 1.2437299e-05 
-   14700      100 0.00094215882 0.00094215882 0.00084418599 5.3989122e-05 
-   14800      100 0.00077297853 0.00077297853 0.00070382005 8.5049867e-06 
-   14900      100 0.00072181281 0.00072181281 0.00066110432 8.9324335e-06 
-   15000      100 0.00070122327 0.00070122327 0.00063826734 3.4876262e-05 
-Loop time of 0.0815294 on 4 procs for 5000 steps with 100 atoms
-
-Performance: 26493517.176 tau/day, 61327.586 timesteps/s
-97.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00076294 | 0.0033154  | 0.0062585  |   4.3 |  4.07
-Neigh   | 0.0010953  | 0.0020078  | 0.002914   |   2.0 |  2.46
-Comm    | 0.0021389  | 0.012184   | 0.023433   |   9.1 | 14.94
-Output  | 0.0011332  | 0.0014591  | 0.0017147  |   0.7 |  1.79
-Modify  | 0.00083971 | 0.017889   | 0.035367   |  12.7 | 21.94
-Other   |            | 0.04467    |            |       | 54.79
-
-Nlocal:    25 ave 54 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Nghost:    3.75 ave 8 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    37.5 ave 97 max 0 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 150
-Ave neighs/atom = 1.5
-Neighbor list builds = 120
-Dangerous builds = 0
-
-region          container delete
-variable        theta equal (step-15000)*(4.0*PI/5000)
-region          container block -6 6 -6 6 -6 6 units box                 rotate v_theta 0 0 0 1 1 1
-run	        5000
-Memory usage per processor = 5.16122 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   15000      100 0.00070122327 0.00070122327 0.00063826734 3.4742207e-05 
-   15100      100    1.1981004    1.1981004   0.74046013  0.017300203 
-   15200      100    1.2197457    1.2197457   0.75847511  0.016724637 
-   15300      100    1.1794198    1.1794198   0.77076582  0.017228755 
-   15400      100    1.4027714    1.4027714   0.87950036  0.021028602 
-   15500      100    1.5514702    1.5514702   0.95040716  0.019935207 
-   15600      100    1.8360404    1.8360404    1.0987247   0.02494663 
-   15700      100    2.0317625    2.0317625    1.2004001  0.029286087 
-   15800      100    2.0478625    2.0478625     1.189893  0.031660426 
-   15900      100    2.1289888    2.1289888    1.2083316  0.028754408 
-   16000      100    2.2261493    2.2261493    1.2550891  0.030665647 
-   16100      100    2.3005184    2.3005184      1.29238  0.036511242 
-   16200      100    2.4515818    2.4515818    1.3563253  0.033787104 
-   16300      100    2.4524614    2.4524614    1.3571527  0.031905963 
-   16400      100    2.5592541    2.5592541     1.405001  0.035688651 
-   16500      100    2.5311864    2.5311864    1.3918694  0.032451265 
-   16600      100    2.6471904    2.6471904    1.4481739  0.034763978 
-   16700      100    2.7024085    2.7024085    1.4785065  0.037514299 
-   16800      100    2.8116979    2.8116979    1.5403269   0.03585152 
-   16900      100    2.9095374    2.9095374    1.5962283  0.038244982 
-   17000      100    2.9228985    2.9228985    1.5978628  0.037971615 
-   17100      100     2.983589     2.983589    1.6205713  0.038332341 
-   17200      100    3.1245984    3.1245984    1.6925827  0.042532223 
-   17300      100    3.1060575    3.1060575    1.6713928  0.052589575 
-   17400      100    3.2494904    3.2494904    1.7567188  0.044783721 
-   17500      100    3.2313349    3.2313349    1.7549177  0.044959213 
-   17600      100    3.3928412    3.3928412     1.822978  0.052512199 
-   17700      100    3.3064729    3.3064729    1.7924768  0.046624738 
-   17800      100    3.1907518    3.1907518    1.7406131  0.042864325 
-   17900      100    3.0224556    3.0224556    1.6641648  0.040151025 
-   18000      100     3.105271     3.105271    1.7045599  0.047137803 
-   18100      100    3.0293425    3.0293425    1.6626024   0.04198758 
-   18200      100     3.139773     3.139773    1.7310307  0.040137164 
-   18300      100    2.9732894    2.9732894    1.6555933   0.03777758 
-   18400      100    3.1250324    3.1250324     1.739812  0.038542298 
-   18500      100    3.1687407    3.1687407    1.7593494  0.041591022 
-   18600      100    3.2880821    3.2880821    1.8169373  0.042503015 
-   18700      100    3.4877047    3.4877047    1.9049979  0.048156272 
-   18800      100    3.7982973    3.7982973     2.055323  0.049805341 
-   18900      100    3.9922267    3.9922267    2.1260665  0.062688073 
-   19000      100    3.8620284    3.8620284    2.0652184  0.064418518 
-   19100      100    3.8757665    3.8757665    2.0615465  0.058600317 
-   19200      100    3.9425495    3.9425495    2.1030375  0.053714175 
-   19300      100    3.8589133    3.8589133    2.0485568   0.05531747 
-   19400      100    3.9202395    3.9202395    2.0904529  0.056324297 
-   19500      100    3.9748628    3.9748628    2.1114492  0.055590699 
-   19600      100    3.8876771    3.8876771    2.0918436  0.052415532 
-   19700      100    3.8975921    3.8975921    2.0755799  0.050647718 
-   19800      100    3.7488333    3.7488333    2.0024562  0.056966734 
-   19900      100    3.7818574    3.7818574      2.00915  0.050079148 
-   20000      100    3.4510736    3.4510736    1.8525818  0.053548452 
-Loop time of 0.156607 on 4 procs for 5000 steps with 100 atoms
-
-Performance: 13792452.627 tau/day, 31926.974 timesteps/s
-98.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0030923  | 0.0049732  | 0.0071678  |   2.1 |  3.18
-Neigh   | 0.012225   | 0.015592   | 0.017859   |   1.7 |  9.96
-Comm    | 0.034876   | 0.037526   | 0.040807   |   1.1 | 23.96
-Output  | 0.0013812  | 0.0015668  | 0.0017419  |   0.3 |  1.00
-Modify  | 0.026932   | 0.044011   | 0.054787   |   5.0 | 28.10
-Other   |            | 0.05294    |            |       | 33.80
-
-Nlocal:    25 ave 41 max 12 min
-Histogram: 1 0 0 1 1 0 0 0 0 1
-Nghost:    3.25 ave 6 max 1 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Neighs:    35.75 ave 59 max 9 min
-Histogram: 1 0 0 0 0 1 1 0 0 1
-
-Total # of neighbors = 143
-Ave neighs/atom = 1.43
-Neighbor list builds = 917
-Dangerous builds = 0
-
-region          container delete
-region          container block -6 6 -6 6 -6 6 units box
-run             5000
-Memory usage per processor = 5.16122 Mbytes
-Step Atoms Temp c_1 c_2 Press 
-   20000      100    3.4510736    3.4510736    1.8525818  0.053182767 
-   20100      100   0.99241675   0.99241675   0.61590164  0.015233656 
-   20200      100   0.92799489   0.92799489   0.55540992  0.011885237 
-   20300      100    0.9171573    0.9171573   0.54477252  0.012926388 
-   20400      100   0.86718407   0.86718407    0.5145422  0.011384414 
-   20500      100   0.84470122   0.84470122   0.50181203  0.010482207 
-   20600      100   0.93025469   0.93025469   0.53939952  0.011377044 
-   20700      100   0.96631348   0.96631348   0.55772027  0.015287231 
-   20800      100   0.90708015   0.90708015   0.52037018  0.014854537 
-   20900      100   0.73319001   0.73319001   0.42824847 0.0092980012 
-   21000      100    0.3371096    0.3371096   0.21272171 0.0061783554 
-   21100      100   0.21771022   0.21771022   0.14128887 0.0082147558 
-   21200      100   0.18133275   0.18133275   0.11945636 0.0055722731 
-   21300      100   0.17117199   0.17117199   0.11048263 0.0027980106 
-   21400      100   0.15741047   0.15741047   0.10346676 0.0023057723 
-   21500      100   0.10045855   0.10045855  0.069905343 0.0023941181 
-   21600      100  0.066094864  0.066094864  0.051285108 0.0022519002 
-   21700      100  0.048622069  0.048622069  0.040662255 0.00073951939 
-   21800      100  0.046829799  0.046829799  0.037431722 0.0015913976 
-   21900      100  0.025308514  0.025308514   0.02092076 0.00064225773 
-   22000      100  0.016326886  0.016326886  0.013588504 0.00087416572 
-   22100      100  0.011892981  0.011892981  0.010417133 0.00080132313 
-   22200      100  0.011974602  0.011974602  0.010342276 0.00044437732 
-   22300      100  0.012567486  0.012567486  0.010294969 0.00048413872 
-   22400      100  0.011676022  0.011676022 0.0091714238 0.00066567365 
-   22500      100 0.0098737136 0.0098737136 0.0079252142 0.00024081335 
-   22600      100 0.0052495523 0.0052495523 0.0047802341 0.00029167814 
-   22700      100 0.0049396543 0.0049396543 0.0043570686 0.00019793167 
-   22800      100  0.004469254  0.004469254 0.0038657445 0.00052965165 
-   22900      100 0.0043837877 0.0043837877 0.0034611363 0.00045595698 
-   23000      100  0.003439309  0.003439309 0.0028031344 0.00025784869 
-   23100      100 0.0034805091 0.0034805091 0.0027537344 0.00012746906 
-   23200      100 0.0045502061 0.0045502061 0.0032298328 0.00024006432 
-   23300      100 0.0028553043 0.0028553043 0.0023107483 0.00012803066 
-   23400      100 0.0022736412 0.0022736412 0.0018560302 0.0002706771 
-   23500      100 0.0020966521 0.0020966521 0.0017106541 0.00014239612 
-   23600      100 0.0018760993 0.0018760993 0.0015415318 0.00010892634 
-   23700      100 0.0022362451 0.0022362451 0.0017014519 0.00012547256 
-   23800      100 0.0017603403 0.0017603403 0.0014681398 0.00023372731 
-   23900      100 0.0023396747 0.0023396747 0.0016700312 0.00017014305 
-   24000      100 0.0012059144 0.0012059144 0.0009982224 3.6215959e-05 
-   24100      100 0.0011739433 0.0011739433 0.00097155852 3.6169918e-05 
-   24200      100 0.0011071139 0.0011071139 0.00092095478 8.8000847e-05 
-   24300      100 0.0011078659 0.0011078659 0.00092073833 4.8706222e-05 
-   24400      100 0.0011037562 0.0011037562 0.00091673546 3.7548502e-05 
-   24500      100 0.00098422752 0.00098422752 0.00083054499 9.1151844e-05 
-   24600      100 0.00097403646 0.00097403646 0.00082364881 5.0914687e-05 
-   24700      100 0.00093082012 0.00093082012 0.00079047801 3.2230016e-05 
-   24800      100 0.0009138973 0.0009138973 0.00075880177 2.8780789e-05 
-   24900      100 0.0012881027 0.0012881027 0.00093025416 1.6385252e-05 
-   25000      100 0.00076099168 0.00076099168 0.00065175575 9.417272e-06 
-Loop time of 0.0846543 on 4 procs for 5000 steps with 100 atoms
-
-Performance: 25515528.493 tau/day, 59063.723 timesteps/s
-98.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0010469  | 0.0037468  | 0.0067947  |   4.3 |  4.43
-Neigh   | 0.0032442  | 0.0047541  | 0.0065064  |   2.0 |  5.62
-Comm    | 0.0085762  | 0.016923   | 0.024509   |   5.8 | 19.99
-Output  | 0.0011523  | 0.0014572  | 0.0016789  |   0.6 |  1.72
-Modify  | 0.0017715  | 0.016296   | 0.031399   |  11.1 | 19.25
-Other   |            | 0.04148    |            |       | 49.00
-
-Nlocal:    25 ave 50 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    6 ave 13 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    39 ave 80 max 0 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 156
-Ave neighs/atom = 1.56
-Neighbor list builds = 284
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/granregion/log.6Oct16.granregion.funnel.g++.1 b/examples/granregion/log.6Oct16.granregion.funnel.g++.1
deleted file mode 100644
index 86faeb3401..0000000000
--- a/examples/granregion/log.6Oct16.granregion.funnel.g++.1
+++ /dev/null
@@ -1,608 +0,0 @@
-LAMMPS (5 Oct 2016)
-# pour particles into cone-shaped funnel, settle them, let them run out bottom
-
-variable	name string funnel_pour
-
-thermo_modify	flush yes
-units 		si
-variable	PI equal 3.141592653589
-variable	seed equal 14314
-
-###############################################
-# Geometry-related parameters
-###############################################
-
-variable	xlo equal 10
-variable	xhi equal 40
-variable	ylo equal 10
-variable	yhi equal 40
-variable	zlo equal -20
-variable	zhi equal 50
-
-variable	xc equal 25
-variable	yc equal 25
-
-variable	zconehi equal 50
-variable	zconelo equal 10
-variable	zcyllo equal 0
-variable	radconelo equal 2
-variable	radconehi equal 20
-
-################################################
-# Particle sizes
-################################################
-
-variable	rlo equal 0.25
-variable	rhi equal 0.5
-variable	dlo equal 2.0*${rlo}
-variable	dlo equal 2.0*0.25
-variable	dhi equal 2.0*${rhi}
-variable	dhi equal 2.0*0.5
-
-variable 	skin equal ${rhi}
-variable 	skin equal 0.5
-
-###############################################
-# Granular contact parameters
-###############################################
-
-variable	coeffRes equal 0.1
-variable	coeffFric equal 0.5
-
-variable	density equal 1.0
-variable	EYoung equal 10^5
-variable 	Poisson equal 2.0/7.0
-variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
-variable	GShear equal 100000/(2*(1+${Poisson}))
-variable	GShear equal 100000/(2*(1+0.285714285714286))
-
-variable	gravity equal 1.0
-
-variable	reff equal 0.5*(${rhi}+${rlo})
-variable	reff equal 0.5*(0.5+${rlo})
-variable	reff equal 0.5*(0.5+0.25)
-variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
-variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
-variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
-variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
-variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
-variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
-
-## Typical way to set kn, kt, etc.:
-variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
-variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
-variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
-variable        kt equal 4.0*${GShear}/(2-${Poisson})
-variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
-variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)
-
-variable	a equal (-2.0*log(${coeffRes})/${PI})^2
-variable	a equal (-2.0*log(0.1)/${PI})^2
-variable	a equal (-2.0*log(0.1)/3.141592653589)^2
-variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
-variable        gamma_t equal ${gamma_n}*0.5
-variable        gamma_t equal 903.503751814138*0.5
-
-variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
-
-variable	dt equal ${tcol}*0.05
-variable	dt equal 0.00210943016014969*0.05
-timestep	${dt}
-timestep	0.000105471508007485
-
-###############################################
-variable	dumpfreq equal 1000
-variable	logfreq equal 1000
-
-newton 		off
-atom_style	sphere
-
-boundary	p p f
-
-region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 10 40 ${zlo} ${zhi}
-region		boxreg block 10 40 10 40 -20 ${zhi}
-region		boxreg block 10 40 10 40 -20 50
-create_box	1 boxreg
-Created orthogonal box = (10 10 -20) to (40 40 50)
-  1 by 1 by 1 MPI processor grid
-
-pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
-pair_coeff	* *
-
-neighbor        ${skin} bin
-neighbor        0.5 bin
-thermo 		${logfreq}
-thermo 		1000
-
-comm_style	brick
-comm_modify 	mode multi group all vel yes
-balance		1.1 shift xyz 20 1.1
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 30 -> bins = 1 1 3
-fix		bal all balance 10000 1.1 shift xyz 20 1.01
-
-####################### Options specific to pouring #########################
-
-# insertion region for fix/pour
-
-region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
-region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
-region	     	insreg cylinder z 25 25 10 30 50 side in units box
-
-# define cone and cylinder regions - see lammps doc on region command
-# note new open options
-
-region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
-region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 
-
-region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
-region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 
-
-region		hopreg union 2 conereg cylreg
-
-fix		grav all gravity ${gravity} vector 0 0 -1
-fix		grav all gravity 1 vector 0 0 -1
-fix		1 all nve/sphere
-
-
-fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
-
-fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
-Particle insertion: 3000 every 59965 steps, 2000 by step 1
-
-#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z
-
-#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
-#dump_modify	2 pad 6
-
-thermo_style	custom step cpu atoms ke
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
-thermo_modify	flush yes lost warn
-
-# Initial run to fill up the cone
-
-run		20000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.5
-  ghost atom cutoff = 1.5
-  binsize = 0.75 -> bins = 40 40 94
-Memory usage per processor = 3.59417 Mbytes
-Step CPU Atoms KinEng 
-       0            0        0           -0 
-    1000   0.54582715     2000           -0 
-    2000   0.93155909     2000           -0 
-    3000    1.3159981     2000           -0 
-    4000     1.697911     2000           -0 
-    5000     2.080133     2000           -0 
-    6000     2.461525     2000           -0 
-    7000     2.842278     2000           -0 
-    8000     3.222302     2000           -0 
-    9000    3.6018171     2000           -0 
-   10000    3.9843922     2000           -0 
-   11000     4.363066     2000           -0 
-   12000     4.743022     2000           -0 
-   13000     5.121953     2000           -0 
-   14000    5.5021431     2000           -0 
-   15000    5.8807089     2000           -0 
-   16000    6.2604752     2000           -0 
-   17000     6.640244     2000           -0 
-   18000    7.0199981     2000           -0 
-   19000      7.40029     2000           -0 
-   20000    7.7834539     2000           -0 
-Loop time of 7.78348 on 1 procs for 20000 steps with 2000 atoms
-
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.64588    | 0.64588    | 0.64588    |   0.0 |  8.30
-Neigh   | 0.097229   | 0.097229   | 0.097229   |   0.0 |  1.25
-Comm    | 0.011505   | 0.011505   | 0.011505   |   0.0 |  0.15
-Output  | 0.00041127 | 0.00041127 | 0.00041127 |   0.0 |  0.01
-Modify  | 6.8117     | 6.8117     | 6.8117     |   0.0 | 87.51
-Other   |            | 0.2168     |            |       |  2.79
-
-Nlocal:    2000 ave 2000 max 2000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1537 ave 1537 max 1537 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1537
-Ave neighs/atom = 0.7685
-Neighbor list builds = 69
-Dangerous builds = 0
-unfix 		ins
-run		150000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.49993
-  ghost atom cutoff = 1.49993
-  binsize = 0.749963 -> bins = 41 41 94
-Memory usage per processor = 9.40639 Mbytes
-Step CPU Atoms KinEng 
-   20000            0     2000    6443.7665 
-   21000   0.37979388     2000    6572.3531 
-   22000   0.76149178     2000    6723.8376 
-   23000    1.1449339     2000    6853.1812 
-   24000     1.529017     2000    6976.0209 
-   25000    1.9145579     2000    7096.9955 
-   26000      2.30124     2000    7215.5795 
-   27000    2.6893978     2000    7349.2382 
-   28000    3.0777299     2000    7471.8719 
-   29000    3.4699018     2000    7574.7988 
-   30000    3.8656738     2000    7660.2353 
-   31000    4.2606828     2000    7703.5736 
-   32000    4.6632309     2000    7643.5299 
-   33000    5.0728998     2000      7520.14 
-   34000    5.4878559     2000    7372.2247 
-   35000     5.910604     2000    7192.1639 
-   36000     6.340683     2000    6985.7075 
-   37000    6.8159268     2000     6858.944 
-   38000    7.2553098     2000    6717.0485 
-   39000     7.699847     2000    6541.6874 
-   40000    8.1524599     2000    6382.1661 
-   41000    8.6083429     2000    6235.6681 
-   42000    9.0669999     2000     6103.095 
-   43000    9.5359929     2000    5951.0523 
-   44000    10.012767     2000    5811.0158 
-   45000    10.497891     2000    5627.7273 
-   46000    10.988827     2000    5471.7262 
-   47000     11.48741     2000    5299.1205 
-   48000    11.990619     2000    5164.1642 
-   49000    12.497663     2000    5006.5014 
-   50000    13.020399     2000    4872.2336 
-   51000    13.548012     2000    4694.5332 
-   52000    14.082238     2000    4515.5164 
-   53000    14.622731     2000    4384.7531 
-   54000    15.170292     2000    4215.1354 
-   55000    15.721908     2000    4063.0658 
-   56000    16.285099     2000    3895.7872 
-   57000    16.858606     2000    3693.0537 
-   58000    17.440427     2000     3514.887 
-   59000     18.03239     2000    3268.5625 
-   60000    18.640969     2000    3049.7365 
-   61000    19.245721     2000    2885.6786 
-   62000     19.85574     2000    2652.9108 
-   63000     20.47405     2000    2408.6484 
-   64000     21.10165     2000    2126.9549 
-   65000    21.743939     2000    1879.2829 
-   66000     22.39462     2000    1645.0406 
-   67000    23.059044     2000    1425.8023 
-   68000    23.730976     2000    1160.2206 
-   69000    24.410132     2000    961.78467 
-   70000    25.096468     2000    785.64232 
-   71000    25.778622     2000    626.09642 
-   72000    26.474474     2000    468.40645 
-   73000    27.171065     2000    358.58331 
-   74000    27.860177     2000    299.43443 
-   75000    28.544588     2000    246.40717 
-   76000    29.226358     2000    206.30408 
-   77000    29.902697     2000    176.97739 
-   78000    30.577693     2000    144.25328 
-   79000    31.269697     2000    115.11502 
-   80000    31.977588     2000    97.780887 
-   81000    32.685445     2000    82.593472 
-   82000    33.397946     2000    72.226521 
-   83000    34.114464     2000    62.978026 
-   84000    34.831341     2000    55.350711 
-   85000    35.545558     2000    51.162661 
-   86000    36.266238     2000    46.100957 
-   87000     36.99804     2000     41.19148 
-   88000    37.743379     2000     36.31567 
-   89000    38.499655     2000    32.456379 
-   90000    39.270287     2000     30.16589 
-   91000    40.035401     2000     27.36473 
-   92000    40.799095     2000    25.488138 
-   93000    41.564371     2000    23.674866 
-   94000    42.335499     2000    22.219066 
-   95000    43.114508     2000    20.982603 
-   96000    43.897793     2000    19.840979 
-   97000    44.685675     2000    19.092279 
-   98000    45.483452     2000     18.20277 
-   99000    46.282718     2000    17.512786 
-  100000    47.085373     2000    16.921053 
-  101000    47.888376     2000    16.228234 
-  102000    48.698546     2000    15.958752 
-  103000     49.51312     2000    15.640913 
-  104000    50.330832     2000    14.016542 
-  105000    51.146589     2000    13.484725 
-  106000     51.96128     2000    13.369222 
-  107000    52.781047     2000    12.965898 
-  108000    53.604374     2000    12.268212 
-  109000    54.424389     2000    11.492904 
-  110000    55.253544     2000    11.110936 
-  111000    56.077677     2000     10.05383 
-  112000    56.904333     2000    10.159311 
-  113000    57.729366     2000    10.071694 
-  114000    58.559509     2000     9.820289 
-  115000    59.391732     2000    9.4736012 
-  116000    60.221045     2000    9.5616457 
-  117000    61.052557     2000    8.6478552 
-  118000    61.890195     2000    8.7425719 
-  119000    62.726358     2000    8.4741204 
-  120000    63.565646     2000     7.772287 
-  121000    64.397804     2000    6.9466866 
-  122000    65.231394     2000    6.7645153 
-  123000    66.064887     2000    6.6568629 
-  124000    66.901915     2000    6.7578346 
-  125000    67.741833     2000    6.7845523 
-  126000    68.582414     2000    6.8385357 
-  127000    69.421944     2000    6.8984218 
-  128000    70.262972     2000     7.031649 
-  129000    71.108668     2000    6.5894805 
-  130000    71.954121     2000    6.6452991 
-  131000    72.795366     2000    6.7278453 
-  132000    73.639866     2000     6.679577 
-  133000    74.484945     2000    6.8049542 
-  134000    75.326506     2000    6.9015567 
-  135000    76.171268     2000    7.2052436 
-  136000    77.015739     2000    7.5532841 
-  137000    77.861613     2000    7.2577958 
-  138000    78.706479     2000    7.5218509 
-  139000    79.549466     2000    7.5221639 
-  140000    80.398284     2000    7.6657717 
-  141000    81.240794     2000    7.9761942 
-  142000    82.087164     2000    8.2314258 
-  143000    82.931215     2000    8.3019975 
-  144000    83.777896     2000    8.0179905 
-  145000    84.622383     2000    8.2517491 
-  146000    85.469753     2000    6.9481522 
-  147000    86.315756     2000    6.6131212 
-  148000    87.164711     2000    6.7706881 
-  149000    88.012004     2000    6.8104528 
-  150000    88.861557     2000    6.7339102 
-  151000    89.708494     2000    6.4777998 
-  152000    90.558437     2000    6.3011889 
-  153000     91.40365     2000    6.3101502 
-  154000    92.249997     2000    6.5542552 
-  155000    93.099774     2000    6.7687268 
-  156000    93.945557     2000    6.7974687 
-  157000    94.795065     2000    6.4615869 
-  158000    95.645761     2000    6.5566144 
-  159000    96.495711     2000       6.4371 
-  160000    97.349979     2000    6.4540668 
-  161000     98.19875     2000    6.6987231 
-  162000    99.049934     2000    6.2464506 
-  163000    99.902813     2000    4.7573102 
-  164000    100.75416     2000    4.7782706 
-  165000    101.60479     2000    4.9414064 
-  166000    102.45183     2000     4.970526 
-  167000    103.30172     2000    5.1492473 
-  168000    104.15283     2000    5.3633229 
-  169000    105.00583     2000    4.3464936 
-  170000    105.85919     2000    3.6784016 
-Loop time of 105.859 on 1 procs for 150000 steps with 2000 atoms
-
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 46.786     | 46.786     | 46.786     |  -nan | 44.20
-Neigh   | 0.88556    | 0.88556    | 0.88556    |   0.0 |  0.84
-Comm    | 0.080127   | 0.080127   | 0.080127   |   0.0 |  0.08
-Output  | 0.0033967  | 0.0033967  | 0.0033967  |   0.0 |  0.00
-Modify  | 56.418     | 56.418     | 56.418     |   0.0 | 53.29
-Other   |            | 1.687      |            |       |  1.59
-
-Nlocal:    2000 ave 2000 max 2000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    15507 ave 15507 max 15507 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 15507
-Ave neighs/atom = 7.7535
-Neighbor list builds = 401
-Dangerous builds = 0
-
-# remove "plug" - need to redefine cylinder region & union
-
-region	  	cylreg delete
-region		hopreg delete
-region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
-region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 
-
-region		hopreg union 2 cylreg conereg
-
-unfix		hopper3
-fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
-
-run		100000
-Memory usage per processor = 9.40667 Mbytes
-Step CPU Atoms KinEng 
-  170000            0     2000    3.6784016 
-  171000   0.84847808     2000    4.3936331 
-  172000    1.6901879     2000    5.5750342 
-  173000     2.523411     2000    6.8205762 
-  174000    3.3501492     2000    8.9700613 
-  175000    4.1766891     2000    11.336633 
-  176000    4.9954321     2000    14.225242 
-  177000     5.814229     2000    17.653262 
-  178000     6.630548     2000    21.796078 
-  179000    7.4493361     2000    26.660801 
-  180000    8.2656369     2000    32.428193 
-  181000     9.069953     2000    39.229088 
-  182000    9.8759181     2000    46.242732 
-  183000    10.674972     2000    54.604245 
-  184000     11.47082     2000     63.96931 
-  185000    12.259916     2000    74.132316 
-  186000    13.046788     2000    84.690798 
-  187000    13.832446     2000    95.486707 
-  188000    14.612976     2000    106.68052 
-  189000    15.391779     2000    118.91376 
-  190000    16.160107     2000    131.90023 
-  191000    16.919573     2000    146.30664 
-  192000    17.677855     2000    161.10142 
-  193000      18.4352     2000    174.91947 
-  194000    19.188156     2000    191.47629 
-  195000    19.937255     2000    208.19912 
-  196000    20.687716     2000    224.80045 
-  197000     21.43754     2000    243.29637 
-  198000     22.18579     2000    262.88685 
-  199000    22.932473     2000    282.34797 
-  200000    23.680828     2000    302.78689 
-  201000    24.428559     2000    323.48767 
-  202000    25.167341     2000    345.99414 
-  203000    25.904465     2000    368.54389 
-  204000    26.635727     2000    393.49643 
-  205000    27.366891     2000    417.82722 
-  206000    28.094282     2000    443.67976 
-  207000    28.821021     2000    470.35934 
-  208000    29.545596     2000    499.01368 
-  209000    30.267439     2000    528.99746 
-  210000    30.993287     2000    561.03931 
-  211000    31.713729     2000     594.0482 
-  212000     32.42933     2000    628.20118 
-  213000     33.14608     2000      662.585 
-  214000    33.863882     2000    697.41408 
-  215000    34.580495     2000    733.36799 
-  216000    35.302571     2000    770.46796 
-  217000    36.023821     2000    806.72007 
-  218000     36.74189     2000    844.06965 
-  219000    37.460105     2000    884.31774 
-  220000    38.177705     2000    926.23771 
-  221000    38.886587     2000    970.02095 
-  222000    39.594003     2000    1015.3938 
-  223000     40.29579     2000    1061.1281 
-  224000    41.001112     2000    1107.9962 
-  225000    41.706489     2000    1155.3656 
-  226000    42.417622     1998    1196.6939 
-  227000    43.133238     1996    1240.8434 
-  228000    43.844991     1990    1260.0436 
-  229000    44.545565     1986    1280.0431 
-  230000    45.246651     1974     1285.222 
-  231000    45.934355     1970    1311.8189 
-  232000    46.624066     1960    1300.7922 
-  233000    47.310339     1943     1282.113 
-  234000    47.993433     1932    1261.0871 
-  235000     48.66937     1918    1211.0667 
-  236000    49.332954     1911    1232.6411 
-  237000     49.99742     1898     1209.112 
-  238000    50.664096     1888    1189.4002 
-  239000    51.336205     1875     1151.415 
-  240000    52.010198     1863    1108.0821 
-  241000    52.680788     1856    1090.2279 
-  242000    53.343069     1843    1062.9726 
-  243000    53.996768     1830    1016.0933 
-  244000    54.635882     1825    1023.5568 
-  245000    55.271259     1817    1012.2897 
-  246000    55.902793     1811    1019.8355 
-  247000    56.541437     1802    996.81934 
-  248000    57.182244     1793    971.29353 
-  249000    57.827453     1785    947.98166 
-  250000    58.473311     1771    898.58408 
-  251000      59.1075     1762    851.46342 
-  252000     59.73473     1754    826.46301 
-  253000    60.362094     1747    808.08292 
-  254000    60.989489     1737    778.86892 
-  255000    61.616293     1720    702.90046 
-  256000    62.243096     1709    665.14293 
-  257000    62.866596     1703    628.63036 
-  258000     63.48969     1702    645.42118 
-  259000    64.119075     1696    617.03362 
-  260000    64.752187     1692    607.96874 
-  261000    65.374973     1690    619.83155 
-  262000    65.991365     1688    622.09585 
-  263000    66.608686     1682    612.86762 
-  264000    67.220696     1681    636.53769 
-  265000    67.830797     1678    638.33305 
-  266000    68.439964     1675    635.97419 
-  267000    69.043459     1672    634.91103 
-  268000    69.643043     1669    638.50196 
-  269000    70.250146     1667    646.16045 
-  270000     70.86361     1664    659.62209 
-Loop time of 70.8636 on 1 procs for 100000 steps with 1664 atoms
-
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 33.501     | 33.501     | 33.501     |   0.0 | 47.27
-Neigh   | 0.63279    | 0.63279    | 0.63279    |   0.0 |  0.89
-Comm    | 0.055495   | 0.055495   | 0.055495   |   0.0 |  0.08
-Output  | 0.0021648  | 0.0021648  | 0.0021648  |   0.0 |  0.00
-Modify  | 35.602     | 35.602     | 35.602     |   0.0 | 50.24
-Other   |            | 1.07       |            |       |  1.51
-
-Nlocal:    1664 ave 1664 max 1664 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    11687 ave 11687 max 11687 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 11687
-Ave neighs/atom = 7.02344
-Neighbor list builds = 261
-Dangerous builds = 0
-Total wall time: 0:03:04
diff --git a/examples/granregion/log.6Oct16.granregion.funnel.g++.4 b/examples/granregion/log.6Oct16.granregion.funnel.g++.4
deleted file mode 100644
index fcbd050b76..0000000000
--- a/examples/granregion/log.6Oct16.granregion.funnel.g++.4
+++ /dev/null
@@ -1,608 +0,0 @@
-LAMMPS (5 Oct 2016)
-# pour particles into cone-shaped funnel, settle them, let them run out bottom
-
-variable	name string funnel_pour
-
-thermo_modify	flush yes
-units 		si
-variable	PI equal 3.141592653589
-variable	seed equal 14314
-
-###############################################
-# Geometry-related parameters
-###############################################
-
-variable	xlo equal 10
-variable	xhi equal 40
-variable	ylo equal 10
-variable	yhi equal 40
-variable	zlo equal -20
-variable	zhi equal 50
-
-variable	xc equal 25
-variable	yc equal 25
-
-variable	zconehi equal 50
-variable	zconelo equal 10
-variable	zcyllo equal 0
-variable	radconelo equal 2
-variable	radconehi equal 20
-
-################################################
-# Particle sizes
-################################################
-
-variable	rlo equal 0.25
-variable	rhi equal 0.5
-variable	dlo equal 2.0*${rlo}
-variable	dlo equal 2.0*0.25
-variable	dhi equal 2.0*${rhi}
-variable	dhi equal 2.0*0.5
-
-variable 	skin equal ${rhi}
-variable 	skin equal 0.5
-
-###############################################
-# Granular contact parameters
-###############################################
-
-variable	coeffRes equal 0.1
-variable	coeffFric equal 0.5
-
-variable	density equal 1.0
-variable	EYoung equal 10^5
-variable 	Poisson equal 2.0/7.0
-variable	GShear equal ${EYoung}/(2*(1+${Poisson}))
-variable	GShear equal 100000/(2*(1+${Poisson}))
-variable	GShear equal 100000/(2*(1+0.285714285714286))
-
-variable	gravity equal 1.0
-
-variable	reff equal 0.5*(${rhi}+${rlo})
-variable	reff equal 0.5*(0.5+${rlo})
-variable	reff equal 0.5*(0.5+0.25)
-variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3
-variable	meff equal 1*4.0/3.0*${PI}*${reff}^3
-variable	meff equal 1*4.0/3.0*3.141592653589*${reff}^3
-variable	meff equal 1*4.0/3.0*3.141592653589*0.375^3
-variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo}
-variable	min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25
-variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi}
-variable	max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5
-
-## Typical way to set kn, kt, etc.:
-variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))
-variable        kn equal 4.0*38888.8888888889/(3*(1-${Poisson}))
-variable        kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286))
-variable        kt equal 4.0*${GShear}/(2-${Poisson})
-variable        kt equal 4.0*38888.8888888889/(2-${Poisson})
-variable        kt equal 4.0*38888.8888888889/(2-0.285714285714286)
-
-variable	a equal (-2.0*log(${coeffRes})/${PI})^2
-variable	a equal (-2.0*log(0.1)/${PI})^2
-variable	a equal (-2.0*log(0.1)/3.141592653589)^2
-variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556))
-variable        gamma_t equal ${gamma_n}*0.5
-variable        gamma_t equal 903.503751814138*0.5
-
-variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0)
-variable	tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0)
-
-variable	dt equal ${tcol}*0.05
-variable	dt equal 0.00210943016014969*0.05
-timestep	${dt}
-timestep	0.000105471508007485
-
-###############################################
-variable	dumpfreq equal 1000
-variable	logfreq equal 1000
-
-newton 		off
-atom_style	sphere
-
-boundary	p p f
-
-region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 10 ${yhi} ${zlo} ${zhi}
-region		boxreg block 10 40 10 40 ${zlo} ${zhi}
-region		boxreg block 10 40 10 40 -20 ${zhi}
-region		boxreg block 10 40 10 40 -20 50
-create_box	1 boxreg
-Created orthogonal box = (10 10 -20) to (40 40 50)
-  1 by 1 by 4 MPI processor grid
-
-pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1
-pair_style	gran/hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1
-pair_coeff	* *
-
-neighbor        ${skin} bin
-neighbor        0.5 bin
-thermo 		${logfreq}
-thermo 		1000
-
-comm_style	brick
-comm_modify 	mode multi group all vel yes
-balance		1.1 shift xyz 20 1.1
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 30 -> bins = 1 1 3
-fix		bal all balance 10000 1.1 shift xyz 20 1.01
-
-####################### Options specific to pouring #########################
-
-# insertion region for fix/pour
-
-region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
-region	     	insreg cylinder z 25 ${yc} 10 30 50 side in units box
-region	     	insreg cylinder z 25 25 10 30 50 side in units box
-
-# define cone and cylinder regions - see lammps doc on region command
-# note new open options
-
-region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 #Top is open
-region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 2 
-region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 2 
-
-region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 #Bottom and top are open
-region		conereg cone z 25 ${yc} ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 ${radconelo} ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 ${radconehi} 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		${zconelo} ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		10 ${zconehi} side in units box 		open 1 open 2 
-region		conereg cone z 25 25 2 20 		10 50 side in units box 		open 1 open 2 
-
-region		hopreg union 2 conereg cylreg
-
-fix		grav all gravity ${gravity} vector 0 0 -1
-fix		grav all gravity 1 vector 0 0 -1
-fix		1 all nve/sphere
-
-
-fix		hopper3 all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history                 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
-
-fix		ins all pour 2000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 ${dhi} dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens ${density} ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 ${density}
-fix		ins all pour 2000 1 42424 region insreg 		diam range 0.5 1 dens 1 1
-Particle insertion: 3000 every 59965 steps, 2000 by step 1
-
-#dump		1 all custom ${dumpfreq} ${name}.dump #		id type mass diameter x y z
-
-#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 3.0 #                box no 0.0 axes no 0.0 0.0
-#dump_modify	2 pad 6
-
-thermo_style	custom step cpu atoms ke
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
-thermo_modify	flush yes lost warn
-
-# Initial run to fill up the cone
-
-run		20000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.5
-  ghost atom cutoff = 1.5
-  binsize = 0.75 -> bins = 40 40 94
-Memory usage per processor = 2.99539 Mbytes
-Step CPU Atoms KinEng 
-       0            0        0           -0 
-    1000   0.53632808     2000           -0 
-    2000   0.90599012     2000           -0 
-    3000    1.2640941     2000           -0 
-    4000    1.6225331     2000           -0 
-    5000    1.9735272     2000           -0 
-    6000    2.3156731     2000           -0 
-    7000    2.6499262     2000           -0 
-    8000    2.9751072     2000           -0 
-    9000    3.2918322     2000           -0 
-   10000     3.597712     2000           -0 
-   11000    3.7157061     2000           -0 
-   12000     3.833451     2000           -0 
-   13000    3.9541111     2000           -0 
-   14000     4.081727     2000           -0 
-   15000    4.2142782     2000           -0 
-   16000    4.3530872     2000           -0 
-   17000    4.4987361     2000           -0 
-   18000    4.6507492     2000           -0 
-   19000     4.807373     2000           -0 
-   20000    4.9710512     2000           -0 
-Loop time of 4.97109 on 4 procs for 20000 steps with 2000 atoms
-
-98.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.067799   | 0.17326    | 0.37341    |  28.4 |  3.49
-Neigh   | 0.013881   | 0.025808   | 0.045841   |   7.5 |  0.52
-Comm    | 0.078163   | 0.1808     | 0.2915     |  21.0 |  3.64
-Output  | 0.0011413  | 0.0027029  | 0.0036721  |   1.8 |  0.05
-Modify  | 1.0146     | 1.8605     | 3.562      |  73.8 | 37.43
-Other   |            | 2.728      |            |       | 54.88
-
-Nlocal:    500 ave 505 max 493 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Nghost:    159.25 ave 254 max 71 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-Neighs:    397.5 ave 616 max 214 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-
-Total # of neighbors = 1590
-Ave neighs/atom = 0.795
-Neighbor list builds = 69
-Dangerous builds = 0
-unfix 		ins
-run		150000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.49993
-  ghost atom cutoff = 1.49993
-  binsize = 0.749963 -> bins = 41 41 94
-Memory usage per processor = 9.39737 Mbytes
-Step CPU Atoms KinEng 
-   20000            0     2000    6443.7665 
-   21000   0.11240888     2000    6572.3531 
-   22000   0.23014092     2000    6723.8376 
-   23000   0.35371184     2000    6853.1812 
-   24000    0.4838469     2000    6976.0209 
-   25000   0.62193394     2000    7096.9955 
-   26000   0.76781893     2000    7215.5795 
-   27000   0.92212081     2000    7349.2382 
-   28000    1.0841098     2000    7471.8719 
-   29000    1.2593179     2000    7574.7988 
-   30000    1.4459748     2000    7660.2353 
-   31000    1.5759299     2000    7703.5736 
-   32000    1.7189329     2000    7643.5299 
-   33000     1.876133     2000      7520.14 
-   34000    2.0453629     2000    7372.2247 
-   35000    2.2281299     2000    7192.1638 
-   36000    2.4208269     2000    6985.7056 
-   37000    2.6258228     2000    6858.9422 
-   38000     2.839473     2000    6717.0655 
-   39000     3.065336     2000    6541.5809 
-   40000    3.3090389     2000    6381.8513 
-   41000    3.4969938     2000    6236.4297 
-   42000    3.6888108     2000    6104.2528 
-   43000    3.8874888     2000    5951.0314 
-   44000    4.0956569     2000    5819.0972 
-   45000     4.312974     2000    5620.6457 
-   46000    4.5343778     2000     5479.332 
-   47000     4.757262     2000     5295.328 
-   48000    4.9850328     2000    5179.9559 
-   49000    5.2210319     2000    5022.5562 
-   50000    5.4699879     2000    4899.1332 
-   51000    5.6774018     2000    4699.4456 
-   52000    5.8900218     2000    4522.5719 
-   53000     6.110677     2000    4402.8664 
-   54000    6.3361218     2000    4256.1664 
-   55000    6.5778289     2000    4093.6265 
-   56000    6.8319149     2000    3933.0179 
-   57000    7.0925779     2000    3738.4628 
-   58000    7.3578169     2000    3535.7866 
-   59000    7.6344049     2000    3298.4079 
-   60000    7.9258108     2000    3058.9356 
-   61000    8.1758959     2000    2888.0074 
-   62000    8.4278228     2000    2652.4613 
-   63000    8.6815088     2000    2435.0991 
-   64000    8.9371588     2000    2147.9441 
-   65000     9.208025     2000    1898.0657 
-   66000    9.4795358     2000    1650.5794 
-   67000    9.7519388     2000    1425.7284 
-   68000    10.025867     2000    1193.3786 
-   69000    10.313816     2000    940.55767 
-   70000    10.610488     2000     761.5312 
-   71000    10.879718     2000     599.1989 
-   72000    11.154029     2000    453.25929 
-   73000    11.424376     2000    345.73222 
-   74000    11.697359     2000    273.72167 
-   75000    11.966099     2000    222.44251 
-   76000    12.230213     2000    190.79993 
-   77000    12.481982     2000    157.71153 
-   78000     12.73433     2000    131.99208 
-   79000    12.986017     2000    111.10589 
-   80000    13.243904     2000    96.736337 
-   81000    13.500538     2000     81.24169 
-   82000    13.765755     2000    66.640863 
-   83000    14.032985     2000     53.07725 
-   84000    14.308284     2000    45.942738 
-   85000    14.586721     2000    38.811918 
-   86000    14.861759     2000     34.59113 
-   87000    15.135665     2000     31.04487 
-   88000    15.417487     2000    27.659144 
-   89000    15.698281     2000    24.596119 
-   90000     15.97969     2000    22.004865 
-   91000    16.266118     2000    20.541665 
-   92000    16.557007     2000    18.938077 
-   93000    16.846745     2000    17.293956 
-   94000    17.133408     2000    16.443596 
-   95000     17.42023     2000    15.518083 
-   96000    17.709025     2000    14.264343 
-   97000    18.001337     2000    13.410217 
-   98000    18.292414     2000    13.036621 
-   99000    18.583887     2000    12.523214 
-  100000    18.880312     2000    12.371509 
-  101000    19.176964     2000    11.828077 
-  102000    19.474371     2000    11.510333 
-  103000    19.770957     2000    11.289304 
-  104000    20.070744     2000    10.370661 
-  105000    20.372617     2000    10.217921 
-  106000    20.673949     2000    9.3275222 
-  107000      20.9765     2000    8.9156372 
-  108000    21.276062     2000    8.5850821 
-  109000    21.585305     2000    8.5326934 
-  110000     21.89079     2000    8.0579504 
-  111000    22.194207     2000    8.1084595 
-  112000    22.501593     2000    7.9190174 
-  113000     22.81251     2000    8.0127499 
-  114000    23.118514     2000    8.1791911 
-  115000    23.432862     2000    8.3333032 
-  116000    23.735549     2000    8.4833817 
-  117000    24.038329     2000     8.315498 
-  118000    24.343247     2000    7.9460007 
-  119000    24.643288     2000    7.5922134 
-  120000     24.94731     2000    7.4089143 
-  121000    25.253605     2000    7.5790659 
-  122000     25.56672     2000    7.3778204 
-  123000    25.870958     2000    7.1384456 
-  124000    26.180729     2000    6.9151887 
-  125000    26.493089     2000    6.4671685 
-  126000    26.806734     2000    5.6773128 
-  127000     27.10969     2000    5.5603057 
-  128000    27.410973     2000    5.6376136 
-  129000    27.712398     2000    5.5578044 
-  130000    28.015943     2000    5.4632646 
-  131000    28.319002     2000    4.9669466 
-  132000    28.620558     2000    5.0191026 
-  133000    28.923233     2000    4.7146653 
-  134000    29.235178     2000    4.4835803 
-  135000    29.542816     2000    4.5469703 
-  136000      29.8518     2000    4.3349926 
-  137000    30.159096     2000     4.423031 
-  138000    30.464283     2000    4.3680646 
-  139000    30.769279     2000    4.2461787 
-  140000    31.074457     2000    4.4140001 
-  141000    31.380334     2000    4.3991236 
-  142000    31.683855     2000     4.572989 
-  143000    31.987308     2000    4.7601702 
-  144000     32.28998     2000    4.7790587 
-  145000    32.594971     2000    4.8127728 
-  146000     32.89855     2000    4.8750003 
-  147000    33.205142     2000    4.9830109 
-  148000    33.509096     2000    4.9960037 
-  149000    33.812951     2000    5.2151503 
-  150000    34.117585     2000    5.2745187 
-  151000    34.420995     2000    4.8959892 
-  152000    34.725788     2000    4.7600627 
-  153000    35.032001     2000    4.6944719 
-  154000    35.337093     2000    4.7647384 
-  155000    35.645299     2000     4.312228 
-  156000    35.953225     2000    3.8513036 
-  157000    36.258107     2000    3.8798947 
-  158000    36.570122     2000    3.7116749 
-  159000    36.880424     2000    3.7246469 
-  160000    37.187331     2000    3.8165318 
-  161000    37.491939     2000    3.8954595 
-  162000    37.806365     2000    4.0109691 
-  163000    38.122006     2000    3.3864369 
-  164000    38.437246     2000    3.4533589 
-  165000    38.753073     2000    3.4967205 
-  166000    39.068713     2000    3.5758702 
-  167000    39.376388     2000    2.8913997 
-  168000    39.685628     2000     2.507523 
-  169000     39.99294     2000    2.4910068 
-  170000    40.302393     2000    2.4992886 
-Loop time of 40.3024 on 4 procs for 150000 steps with 2000 atoms
-
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 7.9352     | 13.451     | 15.947     |  88.7 | 33.37
-Neigh   | 0.15394    | 0.23292    | 0.28243    |  10.0 |  0.58
-Comm    | 2.1471     | 3.534      | 4.4671     |  47.3 |  8.77
-Output  | 0.0070386  | 0.011774   | 0.021483   |   5.4 |  0.03
-Modify  | 10.816     | 14.404     | 16.047     |  55.2 | 35.74
-Other   |            | 8.669      |            |       | 21.51
-
-Nlocal:    500 ave 542 max 430 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    449.5 ave 679 max 208 min
-Histogram: 1 0 0 0 1 0 1 0 0 1
-Neighs:    4506.75 ave 5611 max 3508 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-
-Total # of neighbors = 18027
-Ave neighs/atom = 9.0135
-Neighbor list builds = 386
-Dangerous builds = 0
-
-# remove "plug" - need to redefine cylinder region & union
-
-region	  	cylreg delete
-region		hopreg delete
-region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 #Bottom & top are open
-region	    	cylreg cylinder z 25 ${yc} ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 ${radconelo} 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		${zcyllo} ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		0 ${zconelo} side in units box 		open 1 open 2 
-region	    	cylreg cylinder z 25 25 2 		0 10 side in units box 		open 1 open 2 
-
-region		hopreg union 2 cylreg conereg
-
-unfix		hopper3
-fix		hopper3 all wall/gran/region hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg
-fix		hopper3 all wall/gran/region hertz/history 		72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg
-
-run		100000
-Memory usage per processor = 9.41929 Mbytes
-Step CPU Atoms KinEng 
-  170000            0     2000    2.4992886 
-  171000   0.30864286     2000    3.6052039 
-  172000   0.62273479     2000    4.8584577 
-  173000   0.94411087     2000    6.5620833 
-  174000    1.2588799     2000    8.8636423 
-  175000     1.574302     2000    11.743197 
-  176000     1.888201     2000     15.60405 
-  177000    2.1948938     2000     20.29426 
-  178000     2.508261     2000    25.069266 
-  179000    2.8257489     2000    31.340924 
-  180000    3.1444538     2000    38.454779 
-  181000    3.4541628     2000    46.488676 
-  182000    3.7632799     2000    55.279578 
-  183000    4.0711808     2000    65.192327 
-  184000     4.386853     2000    75.466011 
-  185000    4.7000408     2000     86.06934 
-  186000      5.00436     2000    97.157035 
-  187000    5.3041189     2000    108.92242 
-  188000     5.601872     2000    120.88599 
-  189000    5.9027078     2000    134.09884 
-  190000    6.2037618     2000    148.60143 
-  191000    6.4879329     2000    163.96898 
-  192000    6.7703898     2000    180.32931 
-  193000    7.0603459     2000    198.83575 
-  194000    7.3395619     2000    217.46631 
-  195000    7.6245389     2000    235.34916 
-  196000     7.911685     2000    253.61893 
-  197000    8.1976559     2000     271.3908 
-  198000     8.483418     2000    289.60064 
-  199000    8.7664149     2000    309.44306 
-  200000    9.0593698     2000     331.9367 
-  201000    9.3373818     2000    354.86646 
-  202000     9.612149     2000    380.56766 
-  203000    9.8876739     2000    406.97399 
-  204000    10.152671     2000    435.69917 
-  205000    10.415859     2000     465.1954 
-  206000     10.67967     2000     494.6045 
-  207000    10.941435     2000    522.71704 
-  208000    11.205367     2000    550.56072 
-  209000    11.471415     2000    580.10547 
-  210000    11.738137     2000    610.36222 
-  211000    12.006432     2000    641.99128 
-  212000    12.270102     2000     676.0736 
-  213000    12.531937     2000    711.70118 
-  214000    12.797442     2000    747.84561 
-  215000    13.062646     2000    785.59575 
-  216000     13.33019     2000    826.36549 
-  217000    13.598467     2000    868.35085 
-  218000    13.863022     2000    911.07041 
-  219000    14.127777     2000    953.70251 
-  220000    14.391496     2000     997.5717 
-  221000    14.655347     2000    1043.5565 
-  222000    14.923357     2000    1090.7944 
-  223000    15.193349     2000    1140.1324 
-  224000    15.462326     2000    1190.6956 
-  225000    15.729748     1999    1238.1536 
-  226000    15.996867     1998    1286.8076 
-  227000    16.261762     1995    1326.9895 
-  228000    16.527382     1989    1349.5997 
-  229000    16.788356     1984     1370.593 
-  230000     17.05426     1968    1344.3763 
-  231000    17.320126     1962    1363.7958 
-  232000     17.58387     1949    1340.1482 
-  233000    17.850221     1940     1348.409 
-  234000    18.116595     1929    1335.9703 
-  235000    18.383276     1918     1328.201 
-  236000    18.650066     1905    1309.6469 
-  237000    18.916963     1896    1292.9758 
-  238000    19.185209     1884    1266.3598 
-  239000    19.453402     1872    1221.0069 
-  240000    19.722178     1855    1166.1488 
-  241000     19.98987     1842    1126.9482 
-  242000    20.257783     1828     1107.128 
-  243000    20.523743     1815    1060.6573 
-  244000    20.793404     1805    1026.0259 
-  245000    21.061462     1797    1009.4924 
-  246000    21.325574     1790    995.26136 
-  247000    21.587046     1782    976.04886 
-  248000    21.840234     1778    989.11589 
-  249000     22.09455     1762    903.62508 
-  250000    22.356228     1748    852.03257 
-  251000    22.602243     1738    807.41049 
-  252000    22.852106     1722    738.82529 
-  253000    23.097209     1712    706.05657 
-  254000    23.341263     1696    626.53135 
-  255000     23.58614     1692    613.89548 
-  256000     23.83122     1686     598.9367 
-  257000    24.076937     1683    589.27487 
-  258000    24.321166     1681    591.42793 
-  259000    24.566143     1678    595.25383 
-  260000    24.820743     1677    617.50379 
-  261000    25.057835     1675    623.39319 
-  262000    25.294068     1673    627.08829 
-  263000    25.526724     1669    623.52963 
-  264000    25.766729     1667    626.44957 
-  265000    26.005453     1664    631.58936 
-  266000    26.244549     1660    605.22452 
-  267000    26.478879     1657    611.76935 
-  268000     26.71252     1655    611.73538 
-  269000    26.951368     1652    624.58227 
-  270000    27.186447     1648    625.97446 
-Loop time of 27.1865 on 4 procs for 100000 steps with 1648 atoms
-
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.6257     | 9.631      | 13.049     | 100.0 | 35.43
-Neigh   | 0.1522     | 0.17549    | 0.19588    |   4.3 |  0.65
-Comm    | 1.5797     | 2.7289     | 3.602      |  48.7 | 10.04
-Output  | 0.0014181  | 0.007208   | 0.016675   |   6.8 |  0.03
-Modify  | 7.7129     | 9.0949     | 10.256     |  31.9 | 33.45
-Other   |            | 5.549      |            |       | 20.41
-
-Nlocal:    412 ave 436 max 388 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    391 ave 629 max 158 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-Neighs:    3406 ave 4479 max 2040 min
-Histogram: 1 0 0 0 1 0 0 1 0 1
-
-Total # of neighbors = 13624
-Ave neighs/atom = 8.26699
-Neighbor list builds = 260
-Dangerous builds = 0
-Total wall time: 0:01:12
diff --git a/examples/granregion/log.6Oct16.granregion.mixer.g++.1 b/examples/granregion/log.6Oct16.granregion.mixer.g++.1
deleted file mode 100644
index 3cfa3eb0fc..0000000000
--- a/examples/granregion/log.6Oct16.granregion.mixer.g++.1
+++ /dev/null
@@ -1,609 +0,0 @@
-LAMMPS (5 Oct 2016)
-variable	name string mixer
-
-thermo_modify	flush yes
-variable	seed equal 14314
-
-###############################################
-# Particle parameters
-################################################
-
-variable	rlo equal 0.3
-variable	rhi equal 0.6
-variable	dlo equal 2.0*${rlo}
-variable	dlo equal 2.0*0.3
-variable	dhi equal 2.0*${rhi}
-variable	dhi equal 2.0*0.6
-variable 	skin equal ${rhi}
-variable 	skin equal 0.6
-
-variable	coeffRes equal 0.1
-variable	coeffFric equal 0.5
-
-variable	kn equal 10^5
-variable	kt equal 0.2*${kn}
-variable	kt equal 0.2*100000
-
-variable	gravity equal 1.0
-variable	density equal 1.0
-
-variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
-variable	a equal (-2.0*log(${coeffRes})/PI)^2
-variable	a equal (-2.0*log(0.1)/PI)^2
-variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
-variable        gamma_t equal ${gamma_n}*0.5
-variable        gamma_t equal 806.699778405191*0.5
-
-variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
-
-variable	dt equal ${tcol}*0.02
-variable	dt equal 0.00236257621510454*0.02
-timestep	${dt}
-timestep	4.72515243020908e-05
-
-###############################################
-
-variable	dumpfreq equal 1000
-variable	logfreq equal 1000
-
-newton 		on
-atom_style	sphere
-
-boundary	p p f
-
-region		boxreg block 0 20 0 20 0 20
-create_box	1 boxreg
-Created orthogonal box = (0 0 0) to (20 20 20)
-  1 by 1 by 1 MPI processor grid
-
-pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
-pair_coeff	* *
-
-neighbor        ${skin} bin
-neighbor        0.6 bin
-thermo 		${logfreq}
-thermo 		1000
-
-comm_style	brick
-comm_modify 	mode multi group all vel yes
-balance		1.1 shift xyz 20 1.1
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 20 -> bins = 1 1 1
-fix		bal all balance 10000 1.1 shift xyz 20 1.01
-
-####################### Options specific to pouring #########################
-
-region	     	insreg cylinder z 10 10 8 10 18 side in units box
-region	    	cylreg cylinder z 10 10 10 0 20 side in units box
-
-variable	theta equal (step/400000)*2*PI
-
-region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
-region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box
-
-region		mixer intersect 3 cylreg b1 b2 side in
-
-fix		grav all gravity ${gravity} vector 0 0 -1
-fix		grav all gravity 1 vector 0 0 -1
-fix		1 all nve/sphere
-
-fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
-
-fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1
-Particle insertion: 444 every 84653 steps, 1000 by step 169307
-
-#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z
-
-#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
-#dump_modify	2 pad 6
-
-thermo_style	custom step cpu atoms ke v_theta
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
-thermo_modify	flush yes lost warn
-
-run		200000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.8
-  ghost atom cutoff = 1.8
-  binsize = 0.9 -> bins = 23 23 23
-Memory usage per processor = 2.80779 Mbytes
-Step CPU Atoms KinEng v_theta 
-       0            0        0           -0            0 
-    1000   0.16771817      444           -0  0.015707963 
-    2000   0.33019304      444           -0  0.031415927 
-    3000    0.4894321      444           -0   0.04712389 
-    4000   0.64879322      444           -0  0.062831853 
-    5000   0.80816507      444           -0  0.078539816 
-    6000   0.96711302      444           -0   0.09424778 
-    7000    1.1265812      444           -0   0.10995574 
-    8000     1.286129      444           -0   0.12566371 
-    9000     1.445487      444           -0   0.14137167 
-   10000    1.6056392      444           -0   0.15707963 
-   11000    1.7650061      444           -0    0.1727876 
-   12000    1.9249642      444           -0   0.18849556 
-   13000    2.0851831      444           -0   0.20420352 
-   14000     2.244523      444           -0   0.21991149 
-   15000    2.4043641      444           -0   0.23561945 
-   16000    2.5638251      444           -0   0.25132741 
-   17000    2.7155962      444           -0   0.26703538 
-   18000     2.866904      444           -0   0.28274334 
-   19000    3.0188181      444           -0    0.2984513 
-   20000      3.17047      444           -0   0.31415927 
-   21000    3.3214712      444           -0   0.32986723 
-   22000     3.472692      444           -0   0.34557519 
-   23000    3.6240032      444           -0   0.36128316 
-   24000    3.7753551      444           -0   0.37699112 
-   25000     3.926239      444           -0   0.39269908 
-   26000    4.0782132      444           -0   0.40840704 
-   27000    4.2301712      444           -0   0.42411501 
-   28000     4.382267      444           -0   0.43982297 
-   29000    4.5339992      444           -0   0.45553093 
-   30000    4.6860211      444           -0    0.4712389 
-   31000    4.8376751      444           -0   0.48694686 
-   32000     4.989748      444           -0   0.50265482 
-   33000    5.1418142      444           -0   0.51836279 
-   34000     5.294476      444           -0   0.53407075 
-   35000    5.4472861      444           -0   0.54977871 
-   36000    5.5999811      444           -0   0.56548668 
-   37000    5.7526181      444           -0   0.58119464 
-   38000    5.9061031      444           -0    0.5969026 
-   39000    6.0593271      444           -0   0.61261057 
-   40000    6.2123802      444           -0   0.62831853 
-   41000    6.3652351      444           -0   0.64402649 
-   42000    6.5186551      444           -0   0.65973446 
-   43000     6.672132      444           -0   0.67544242 
-   44000    6.8245611      444           -0   0.69115038 
-   45000    6.9778051      444           -0   0.70685835 
-   46000     7.131258      444           -0   0.72256631 
-   47000    7.2841291      444           -0   0.73827427 
-   48000    7.4379101      444           -0   0.75398224 
-   49000       7.5915      444           -0    0.7696902 
-   50000    7.7461231      444           -0   0.78539816 
-   51000    7.9047191      444           -0   0.80110613 
-   52000    8.0634432      444           -0   0.81681409 
-   53000    8.2226322      444           -0   0.83252205 
-   54000    8.3817451      444           -0   0.84823002 
-   55000    8.5419021      444           -0   0.86393798 
-   56000     8.701194      444           -0   0.87964594 
-   57000    8.8613491      444           -0   0.89535391 
-   58000    9.0211501      444           -0   0.91106187 
-   59000     9.180917      444           -0   0.92676983 
-   60000     9.341964      444           -0    0.9424778 
-   61000    9.5026722      444           -0   0.95818576 
-   62000    9.6630561      444           -0   0.97389372 
-   63000    9.8236201      444           -0   0.98960169 
-   64000    9.9854801      444           -0    1.0053096 
-   65000    10.148318      444           -0    1.0210176 
-   66000    10.311267      444           -0    1.0367256 
-   67000    10.476498      444           -0    1.0524335 
-   68000    10.640768      444           -0    1.0681415 
-   69000    10.804709      444           -0    1.0838495 
-   70000    10.969271      444           -0    1.0995574 
-   71000    11.133451      444           -0    1.1152654 
-   72000    11.299253      444           -0    1.1309734 
-   73000    11.463999      444           -0    1.1466813 
-   74000     11.62903      444           -0    1.1623893 
-   75000    11.795109      444           -0    1.1780972 
-   76000    11.962154      444           -0    1.1938052 
-   77000      12.1292      444           -0    1.2095132 
-   78000    12.298106      444           -0    1.2252211 
-   79000     12.46744      444           -0    1.2409291 
-   80000    12.637916      444           -0    1.2566371 
-   81000    12.808494      444           -0     1.272345 
-   82000     12.97813      444           -0     1.288053 
-   83000    13.149135      444           -0     1.303761 
-   84000     13.32082      444           -0    1.3194689 
-   85000     13.56205      888           -0    1.3351769 
-   86000    13.908699      888           -0    1.3508848 
-   87000    14.254615      888           -0    1.3665928 
-   88000    14.600851      888           -0    1.3823008 
-   89000    14.946295      888           -0    1.3980087 
-   90000    15.291315      888           -0    1.4137167 
-   91000    15.637396      888           -0    1.4294247 
-   92000    15.981426      888           -0    1.4451326 
-   93000    16.327519      888           -0    1.4608406 
-   94000    16.675434      888           -0    1.4765485 
-   95000    17.023515      888           -0    1.4922565 
-   96000    17.372152      888           -0    1.5079645 
-   97000    17.719346      888           -0    1.5236724 
-   98000    18.067159      888           -0    1.5393804 
-   99000    18.414599      888           -0    1.5550884 
-  100000    18.764775      888           -0    1.5707963 
-  101000    19.114239      888           -0    1.5865043 
-  102000    19.464285      888           -0    1.6022123 
-  103000    19.813956      888           -0    1.6179202 
-  104000    20.163276      888           -0    1.6336282 
-  105000    20.553808      888           -0    1.6493361 
-  106000    20.904093      888           -0    1.6650441 
-  107000     21.25918      888           -0    1.6807521 
-  108000    21.615056      888           -0      1.69646 
-  109000    21.971067      888           -0     1.712168 
-  110000    22.326407      888           -0     1.727876 
-  111000     22.68062      888           -0    1.7435839 
-  112000     23.03653      888           -0    1.7592919 
-  113000     23.39161      888           -0    1.7749998 
-  114000    23.751273      888           -0    1.7907078 
-  115000    24.106946      888           -0    1.8064158 
-  116000    24.461182      888           -0    1.8221237 
-  117000    24.797533      888           -0    1.8378317 
-  118000    25.133924      888           -0    1.8535397 
-  119000    25.472617      888           -0    1.8692476 
-  120000    25.810786      888           -0    1.8849556 
-  121000    26.147399      888           -0    1.9006636 
-  122000    26.485868      888           -0    1.9163715 
-  123000     26.82395      888           -0    1.9320795 
-  124000    27.162345      888           -0    1.9477874 
-  125000    27.501503      888           -0    1.9634954 
-  126000    27.843318      888           -0    1.9792034 
-  127000    28.183379      888           -0    1.9949113 
-  128000    28.525406      888           -0    2.0106193 
-  129000    28.869601      888           -0    2.0263273 
-  130000    29.216232      888           -0    2.0420352 
-  131000    29.562432      888           -0    2.0577432 
-  132000     29.95624      888           -0    2.0734512 
-  133000    30.308919      888           -0    2.0891591 
-  134000    30.662184      888           -0    2.1048671 
-  135000    31.015509      888           -0     2.120575 
-  136000    31.366132      888           -0     2.136283 
-  137000     31.71887      888           -0     2.151991 
-  138000      32.0723      888           -0    2.1676989 
-  139000    32.428657      888           -0    2.1834069 
-  140000    32.781484      888           -0    2.1991149 
-  141000    33.133593      888           -0    2.2148228 
-  142000    33.487376      888           -0    2.2305308 
-  143000    33.838656      888           -0    2.2462387 
-  144000    34.188723      888           -0    2.2619467 
-  145000    34.540083      888           -0    2.2776547 
-  146000    34.895624      888           -0    2.2933626 
-  147000     35.25153      888           -0    2.3090706 
-  148000    35.607482      888           -0    2.3247786 
-  149000      35.9642      888           -0    2.3404865 
-  150000    36.321759      888           -0    2.3561945 
-  151000    36.667172      888           -0    2.3719025 
-  152000    37.013822      888           -0    2.3876104 
-  153000    37.362735      888           -0    2.4033184 
-  154000    37.712576      888           -0    2.4190263 
-  155000    38.063528      888           -0    2.4347343 
-  156000    38.414666      888           -0    2.4504423 
-  157000    38.766119      888           -0    2.4661502 
-  158000    39.115828      888           -0    2.4818582 
-  159000    39.470874      888           -0    2.4975662 
-  160000    39.827871      888           -0    2.5132741 
-  161000    40.184885      888           -0    2.5289821 
-  162000    40.543838      888           -0      2.54469 
-  163000    40.901814      888           -0     2.560398 
-  164000    41.258631      888           -0     2.576106 
-  165000    41.619086      888           -0    2.5918139 
-  166000    41.977332      888           -0    2.6075219 
-  167000     42.33775      888           -0    2.6232299 
-  168000    42.701344      888           -0    2.6389378 
-  169000    43.067663      888           -0    2.6546458 
-  170000    43.461687     1000           -0    2.6703538 
-  171000    43.866086     1000           -0    2.6860617 
-  172000    44.271406     1000           -0    2.7017697 
-  173000    44.677085     1000           -0    2.7174776 
-  174000    45.082441     1000           -0    2.7331856 
-  175000    45.491593     1000           -0    2.7488936 
-  176000    45.903002     1000           -0    2.7646015 
-  177000    46.315031     1000           -0    2.7803095 
-  178000    46.726531     1000           -0    2.7960175 
-  179000    47.140818     1000           -0    2.8117254 
-  180000    47.553784     1000           -0    2.8274334 
-  181000    47.964021     1000           -0    2.8431414 
-  182000    48.376739     1000           -0    2.8588493 
-  183000    48.789612     1000           -0    2.8745573 
-  184000    49.204073     1000           -0    2.8902652 
-  185000    49.642401     1000           -0    2.9059732 
-  186000    50.083479     1000           -0    2.9216812 
-  187000    50.523357     1000           -0    2.9373891 
-  188000    50.963685     1000           -0    2.9530971 
-  189000    51.404166     1000           -0    2.9688051 
-  190000    51.849094     1000           -0     2.984513 
-  191000    52.291805     1000           -0     3.000221 
-  192000    52.731855     1000           -0    3.0159289 
-  193000    53.174104     1000           -0    3.0316369 
-  194000    53.619739     1000           -0    3.0473449 
-  195000    54.061019     1000           -0    3.0630528 
-  196000    54.501149     1000           -0    3.0787608 
-  197000    54.940486     1000           -0    3.0944688 
-  198000    55.381843     1000           -0    3.1101767 
-  199000    55.822243     1000           -0    3.1258847 
-  200000    56.264319     1000           -0    3.1415927 
-Loop time of 56.2643 on 1 procs for 200000 steps with 1000 atoms
-
-Performance: 14511.970 tau/day, 3554.650 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.6309     | 4.6309     | 4.6309     |   0.0 |  8.23
-Neigh   | 0.071456   | 0.071456   | 0.071456   |   0.0 |  0.13
-Comm    | 0.50064    | 0.50064    | 0.50064    |   0.0 |  0.89
-Output  | 0.0039163  | 0.0039163  | 0.0039163  |   0.0 |  0.01
-Modify  | 50.189     | 50.189     | 50.189     |   0.0 | 89.20
-Other   |            | 0.8688     |            |       |  1.54
-
-Nlocal:    1000 ave 1000 max 1000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    183 ave 183 max 183 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3926 ave 3926 max 3926 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3926
-Ave neighs/atom = 3.926
-Neighbor list builds = 217
-Dangerous builds = 0
-unfix 		ins
-run		200000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.79826
-  ghost atom cutoff = 1.79826
-  binsize = 0.899132 -> bins = 23 23 23
-Memory usage per processor = 8.62017 Mbytes
-Step CPU Atoms KinEng v_theta 
-  200000            0     1000   0.90078559    3.1415927 
-  201000   0.44072509     1000   0.90377135    3.1573006 
-  202000    0.8800211     1000   0.89194106    3.1730086 
-  203000    1.3210881     1000    0.8940532    3.1887165 
-  204000     1.762887     1000    0.8967696    3.2044245 
-  205000    2.2080901     1000   0.89758718    3.2201325 
-  206000    2.6548181     1000   0.89434418    3.2358404 
-  207000    3.1002531     1000   0.87633906    3.2515484 
-  208000     3.547334     1000   0.86721615    3.2672564 
-  209000     3.993988     1000   0.86214817    3.2829643 
-  210000    4.4423161     1000   0.85463743    3.2986723 
-  211000     4.889446     1000   0.85744914    3.3143802 
-  212000    5.3357229     1000   0.84702799    3.3300882 
-  213000     5.780273     1000   0.84375104    3.3457962 
-  214000    6.2249129     1000   0.83820701    3.3615041 
-  215000     6.670651     1000   0.83566708    3.3772121 
-  216000     7.113143     1000   0.83620798    3.3929201 
-  217000    7.5359521     1000   0.83581605     3.408628 
-  218000    7.9623129     1000   0.84045719     3.424336 
-  219000    8.3878851     1000   0.85410521     3.440044 
-  220000    8.8153811     1000   0.84336839    3.4557519 
-  221000     9.244349     1000   0.85145747    3.4714599 
-  222000    9.6728511     1000    0.8476916    3.4871678 
-  223000    10.104052     1000    0.8412701    3.5028758 
-  224000    10.532736     1000    0.8390277    3.5185838 
-  225000    10.959564     1000    0.8359107    3.5342917 
-  226000     11.38617     1000   0.83920631    3.5499997 
-  227000    11.814104     1000   0.83930526    3.5657077 
-  228000    12.241758     1000   0.83152308    3.5814156 
-  229000     12.67198     1000   0.81211079    3.5971236 
-  230000    13.101597     1000   0.80395018    3.6128316 
-  231000    13.532943     1000   0.79991397    3.6285395 
-  232000    13.969412     1000   0.80828959    3.6442475 
-  233000    14.403885     1000   0.80892923    3.6599554 
-  234000    14.833452     1000   0.82048914    3.6756634 
-  235000    15.266211     1000    0.8174713    3.6913714 
-  236000    15.697822     1000   0.81898551    3.7070793 
-  237000    16.133023     1000   0.82034714    3.7227873 
-  238000    16.569559     1000   0.81950728    3.7384953 
-  239000    17.006308     1000   0.82152915    3.7542032 
-  240000    17.445493     1000   0.83217597    3.7699112 
-  241000    17.885585     1000   0.83464253    3.7856191 
-  242000    18.324268     1000   0.84326166    3.8013271 
-  243000    18.763748     1000   0.84235055    3.8170351 
-  244000    19.203869     1000   0.83325408     3.832743 
-  245000       19.645     1000   0.82577315     3.848451 
-  246000     20.08666     1000   0.83923456     3.864159 
-  247000    20.530596     1000   0.84153419    3.8798669 
-  248000    20.971984     1000   0.85768309    3.8955749 
-  249000    21.413571     1000   0.86910799    3.9112829 
-  250000    21.854153     1000    0.8775521    3.9269908 
-  251000    22.302884     1000   0.87299296    3.9426988 
-  252000    22.753789     1000   0.86613861    3.9584067 
-  253000    23.202458     1000   0.85513456    3.9741147 
-  254000    23.655372     1000   0.84629733    3.9898227 
-  255000    24.108225     1000   0.84154885    4.0055306 
-  256000    24.561535     1000   0.84162715    4.0212386 
-  257000    25.012338     1000   0.83959672    4.0369466 
-  258000    25.466506     1000   0.83577695    4.0526545 
-  259000    25.919168     1000   0.83021368    4.0683625 
-  260000     26.37215     1000   0.81106893    4.0840704 
-  261000    26.823834     1000   0.79884608    4.0997784 
-  262000    27.276505     1000   0.78360303    4.1154864 
-  263000    27.728503     1000   0.77030843    4.1311943 
-  264000    28.181969     1000   0.76127974    4.1469023 
-  265000    28.636329     1000   0.75553065    4.1626103 
-  266000    29.090593     1000   0.75332019    4.1783182 
-  267000    29.549547     1000   0.74670528    4.1940262 
-  268000    30.008774     1000   0.74216141    4.2097342 
-  269000    30.463826     1000   0.74564756    4.2254421 
-  270000    30.920159     1000    0.7416035    4.2411501 
-  271000    31.377192     1000   0.73061389     4.256858 
-  272000    31.836268     1000   0.71620113     4.272566 
-  273000    32.291662     1000   0.70840181     4.288274 
-  274000    32.743646     1000   0.70946906    4.3039819 
-  275000    33.197723     1000   0.70418049    4.3196899 
-  276000    33.651405     1000   0.69591327    4.3353979 
-  277000    34.106289     1000   0.69499716    4.3511058 
-  278000    34.564324     1000   0.69242545    4.3668138 
-  279000    35.020887     1000   0.69690811    4.3825218 
-  280000    35.478222     1000   0.70402124    4.3982297 
-  281000    35.938226     1000   0.71936578    4.4139377 
-  282000     36.39808     1000   0.72439386    4.4296456 
-  283000    36.855587     1000   0.72221632    4.4453536 
-  284000    37.309629     1000   0.70387029    4.4610616 
-  285000    37.791869     1000   0.70505716    4.4767695 
-  286000    38.277853     1000   0.70731734    4.4924775 
-  287000    38.764774     1000   0.71149743    4.5081855 
-  288000     39.24815     1000   0.70994023    4.5238934 
-  289000    39.728005     1000   0.69794225    4.5396014 
-  290000    40.206798     1000    0.6905751    4.5553093 
-  291000    40.678802     1000   0.68652972    4.5710173 
-  292000    41.147991     1000    0.6743341    4.5867253 
-  293000    41.618836     1000   0.67357205    4.6024332 
-  294000     42.08982     1000   0.66465346    4.6181412 
-  295000    42.561323     1000   0.65587678    4.6338492 
-  296000    43.034196     1000   0.65455827    4.6495571 
-  297000    43.505748     1000   0.65135145    4.6652651 
-  298000    43.975299     1000   0.65400349    4.6809731 
-  299000    44.447556     1000   0.66186899     4.696681 
-  300000    44.926073     1000   0.66844193     4.712389 
-  301000    45.402658     1000   0.67720506    4.7280969 
-  302000    45.880643     1000   0.68554918    4.7438049 
-  303000    46.359444     1000   0.69321489    4.7595129 
-  304000    46.841542     1000   0.70345329    4.7752208 
-  305000    47.323539     1000   0.70172137    4.7909288 
-  306000    47.809358     1000   0.70989191    4.8066368 
-  307000    48.291664     1000   0.70546377    4.8223447 
-  308000    48.770327     1000   0.70820389    4.8380527 
-  309000    49.248974     1000   0.69637815    4.8537606 
-  310000     49.72965     1000   0.68679532    4.8694686 
-  311000    50.204503     1000   0.68824984    4.8851766 
-  312000    50.683502     1000   0.68647935    4.9008845 
-  313000    51.161407     1000   0.68289956    4.9165925 
-  314000    51.638365     1000   0.68356788    4.9323005 
-  315000    52.114341     1000   0.68269829    4.9480084 
-  316000    52.590791     1000   0.67961769    4.9637164 
-  317000    53.043198     1000   0.67437047    4.9794244 
-  318000    53.499062     1000   0.66534726    4.9951323 
-  319000    53.954004     1000   0.66052125    5.0108403 
-  320000    54.409776     1000   0.65351962    5.0265482 
-  321000    54.867935     1000   0.64155441    5.0422562 
-  322000    55.324528     1000   0.63463177    5.0579642 
-  323000    55.780399     1000   0.62945691    5.0736721 
-  324000    56.239189     1000   0.63156746    5.0893801 
-  325000    56.697767     1000   0.63883759    5.1050881 
-  326000    57.155746     1000   0.64703516     5.120796 
-  327000    57.618744     1000   0.65532057     5.136504 
-  328000    58.083021     1000   0.66697061     5.152212 
-  329000    58.547646     1000   0.66896271    5.1679199 
-  330000    59.011518     1000   0.66551963    5.1836279 
-  331000    59.478689     1000   0.65083894    5.1993358 
-  332000     59.94887     1000   0.65171641    5.2150438 
-  333000    60.416096     1000   0.65122777    5.2307518 
-  334000    60.889826     1000   0.65844334    5.2464597 
-  335000    61.363105     1000   0.66931264    5.2621677 
-  336000    61.832482     1000   0.66847415    5.2778757 
-  337000    62.300731     1000   0.65863495    5.2935836 
-  338000    62.769011     1000   0.64977739    5.3092916 
-  339000    63.232862     1000    0.6454395    5.3249995 
-  340000    63.699228     1000   0.63484999    5.3407075 
-  341000    64.165101     1000   0.62753448    5.3564155 
-  342000    64.631118     1000   0.62781442    5.3721234 
-  343000    65.099469     1000   0.63813963    5.3878314 
-  344000    65.576568     1000    0.6485183    5.4035394 
-  345000    66.054068     1000   0.67111606    5.4192473 
-  346000    66.531747     1000   0.68435581    5.4349553 
-  347000    67.007296     1000   0.69526046    5.4506633 
-  348000    67.478242     1000    0.6876531    5.4663712 
-  349000    67.944422     1000   0.67962108    5.4820792 
-  350000    68.410281     1000    0.6800934    5.4977871 
-  351000    68.862112     1000   0.67658657    5.5134951 
-  352000    69.316476     1000   0.67043355    5.5292031 
-  353000     69.76356     1000   0.66863154     5.544911 
-  354000    70.212144     1000   0.65806572     5.560619 
-  355000    70.658375     1000    0.6498301     5.576327 
-  356000    71.103688     1000   0.64384284    5.5920349 
-  357000    71.551545     1000   0.64228421    5.6077429 
-  358000    72.001238     1000    0.6408188    5.6234508 
-  359000     72.45158     1000   0.64388002    5.6391588 
-  360000    72.906369     1000   0.64347896    5.6548668 
-  361000    73.358316     1000   0.65055455    5.6705747 
-  362000    73.814119     1000   0.65545061    5.6862827 
-  363000    74.277034     1000    0.6667431    5.7019907 
-  364000    74.737593     1000    0.6869856    5.7176986 
-  365000     75.20209     1000   0.69651407    5.7334066 
-  366000    75.667448     1000   0.70824091    5.7491146 
-  367000    76.132389     1000    0.7144853    5.7648225 
-  368000    76.596067     1000   0.71780876    5.7805305 
-  369000    77.059749     1000    0.7159398    5.7962384 
-  370000    77.519236     1000   0.70648968    5.8119464 
-  371000    77.977404     1000   0.69796557    5.8276544 
-  372000    78.434017     1000   0.69876891    5.8433623 
-  373000    78.887217     1000   0.70908957    5.8590703 
-  374000    79.341658     1000   0.70831124    5.8747783 
-  375000    79.802381     1000   0.70631178    5.8904862 
-  376000    80.265165     1000   0.70533876    5.9061942 
-  377000    80.727821     1000   0.70097225    5.9219022 
-  378000    81.187538     1000   0.70139806    5.9376101 
-  379000    81.645627     1000   0.69691027    5.9533181 
-  380000    82.105692     1000   0.69163881     5.969026 
-  381000     82.56483     1000   0.68973183     5.984734 
-  382000    83.025126     1000   0.68059207     6.000442 
-  383000    83.482786     1000   0.68096466    6.0161499 
-  384000    83.939808     1000    0.6698933    6.0318579 
-  385000    84.418408     1000   0.66795846    6.0475659 
-  386000    84.898757     1000   0.66153854    6.0632738 
-  387000    85.376756     1000   0.66560025    6.0789818 
-  388000    85.853575     1000   0.66671699    6.0946897 
-  389000     86.32865     1000   0.66013733    6.1103977 
-  390000    86.807772     1000   0.66181942    6.1261057 
-  391000    87.290335     1000   0.66281334    6.1418136 
-  392000    87.773899     1000   0.66657879    6.1575216 
-  393000    88.248567     1000   0.66608992    6.1732296 
-  394000    88.723817     1000   0.66128929    6.1889375 
-  395000    89.200089     1000   0.65764538    6.2046455 
-  396000    89.671826     1000   0.65073015    6.2203535 
-  397000    90.142595     1000   0.64967355    6.2360614 
-  398000    90.616654     1000   0.65193957    6.2517694 
-  399000    91.093856     1000   0.64936977    6.2674773 
-  400000    91.571678     1000   0.65849743    6.2831853 
-Loop time of 91.5717 on 1 procs for 200000 steps with 1000 atoms
-
-Performance: 8916.580 tau/day, 2184.081 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 13.827     | 13.827     | 13.827     |   0.0 | 15.10
-Neigh   | 0.097679   | 0.097679   | 0.097679   |   0.0 |  0.11
-Comm    | 1.5668     | 1.5668     | 1.5668     |   0.0 |  1.71
-Output  | 0.0042615  | 0.0042615  | 0.0042615  |   0.0 |  0.00
-Modify  | 74.804     | 74.804     | 74.804     |   0.0 | 81.69
-Other   |            | 1.273      |            |       |  1.39
-
-Nlocal:    1000 ave 1000 max 1000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    289 ave 289 max 289 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    5091 ave 5091 max 5091 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 5091
-Ave neighs/atom = 5.091
-Neighbor list builds = 160
-Dangerous builds = 0
-Total wall time: 0:02:27
diff --git a/examples/granregion/log.6Oct16.granregion.mixer.g++.4 b/examples/granregion/log.6Oct16.granregion.mixer.g++.4
deleted file mode 100644
index 726b31f8fe..0000000000
--- a/examples/granregion/log.6Oct16.granregion.mixer.g++.4
+++ /dev/null
@@ -1,609 +0,0 @@
-LAMMPS (5 Oct 2016)
-variable	name string mixer
-
-thermo_modify	flush yes
-variable	seed equal 14314
-
-###############################################
-# Particle parameters
-################################################
-
-variable	rlo equal 0.3
-variable	rhi equal 0.6
-variable	dlo equal 2.0*${rlo}
-variable	dlo equal 2.0*0.3
-variable	dhi equal 2.0*${rhi}
-variable	dhi equal 2.0*0.6
-variable 	skin equal ${rhi}
-variable 	skin equal 0.6
-
-variable	coeffRes equal 0.1
-variable	coeffFric equal 0.5
-
-variable	kn equal 10^5
-variable	kt equal 0.2*${kn}
-variable	kt equal 0.2*100000
-
-variable	gravity equal 1.0
-variable	density equal 1.0
-
-variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo}
-variable	min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3
-variable	a equal (-2.0*log(${coeffRes})/PI)^2
-variable	a equal (-2.0*log(0.1)/PI)^2
-variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a))
-variable        gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351))
-variable        gamma_t equal ${gamma_n}*0.5
-variable        gamma_t equal 806.699778405191*0.5
-
-variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0)
-variable	tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0)
-
-variable	dt equal ${tcol}*0.02
-variable	dt equal 0.00236257621510454*0.02
-timestep	${dt}
-timestep	4.72515243020908e-05
-
-###############################################
-
-variable	dumpfreq equal 1000
-variable	logfreq equal 1000
-
-newton 		on
-atom_style	sphere
-
-boundary	p p f
-
-region		boxreg block 0 20 0 20 0 20
-create_box	1 boxreg
-Created orthogonal box = (0 0 0) to (20 20 20)
-  1 by 2 by 2 MPI processor grid
-
-pair_style	gran/hertz/history 		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1
-pair_style	gran/hertz/history 		100000 20000 806.699778405191 403.349889202595 0.5 1
-pair_coeff	* *
-
-neighbor        ${skin} bin
-neighbor        0.6 bin
-thermo 		${logfreq}
-thermo 		1000
-
-comm_style	brick
-comm_modify 	mode multi group all vel yes
-balance		1.1 shift xyz 20 1.1
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 20 -> bins = 1 1 1
-fix		bal all balance 10000 1.1 shift xyz 20 1.01
-
-####################### Options specific to pouring #########################
-
-region	     	insreg cylinder z 10 10 8 10 18 side in units box
-region	    	cylreg cylinder z 10 10 10 0 20 side in units box
-
-variable	theta equal (step/400000)*2*PI
-
-region          b1 block 2 18 9 11 0 4 side out                 rotate v_theta 10 10 0 0 0 1 units box
-region          b2 block 9 11 2 18 0 3.99999 side out                 rotate v_theta 10 10 0 0 0 1 units box
-
-region		mixer intersect 3 cylreg b1 b2 side in
-
-fix		grav all gravity ${gravity} vector 0 0 -1
-fix		grav all gravity 1 vector 0 0 -1
-fix		1 all nve/sphere
-
-fix		mixwall all wall/gran/region hertz/history                 ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer
-fix		mixwall all wall/gran/region hertz/history                 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer
-
-fix		ins all pour 1000 1 42424 region insreg 		diam range ${dlo} ${dhi} dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 ${dhi} dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens ${density} ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 ${density}
-fix		ins all pour 1000 1 42424 region insreg 		diam range 0.6 1.2 dens 1 1
-Particle insertion: 444 every 84653 steps, 1000 by step 169307
-
-#dump		1 all custom ${dumpfreq} ${name}_pour.dump #		id type mass diameter x y z
-
-#dump		2 all image 4000 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30 zoom 1.5 #                box no 0.0 axes no 0.0 0.0
-#dump_modify	2 pad 6
-
-thermo_style	custom step cpu atoms ke v_theta
-WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:690)
-thermo_modify	flush yes lost warn
-
-run		200000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.8
-  ghost atom cutoff = 1.8
-  binsize = 0.9 -> bins = 23 23 23
-Memory usage per processor = 2.76258 Mbytes
-Step CPU Atoms KinEng v_theta 
-       0            0        0           -0            0 
-    1000   0.10398197      444           -0  0.015707963 
-    2000   0.20485091      444           -0  0.031415927 
-    3000    0.3069241      444           -0   0.04712389 
-    4000   0.40875912      444           -0  0.062831853 
-    5000   0.50989199      444           -0  0.078539816 
-    6000   0.60949397      444           -0   0.09424778 
-    7000     0.708915      444           -0   0.10995574 
-    8000   0.80870605      444           -0   0.12566371 
-    9000   0.90752602      444           -0   0.14137167 
-   10000    1.0054469      444           -0   0.15707963 
-   11000     1.072515      444           -0    0.1727876 
-   12000     1.139096      444           -0   0.18849556 
-   13000    1.2049479      444           -0   0.20420352 
-   14000    1.2707851      444           -0   0.21991149 
-   15000    1.3377919      444           -0   0.23561945 
-   16000     1.405757      444           -0   0.25132741 
-   17000     1.471797      444           -0   0.26703538 
-   18000     1.538343      444           -0   0.28274334 
-   19000    1.6035659      444           -0    0.2984513 
-   20000    1.6690421      444           -0   0.31415927 
-   21000     1.729399      444           -0   0.32986723 
-   22000    1.7885301      444           -0   0.34557519 
-   23000    1.8496239      444           -0   0.36128316 
-   24000     1.913486      444           -0   0.37699112 
-   25000     1.977428      444           -0   0.39269908 
-   26000      2.04282      444           -0   0.40840704 
-   27000    2.1089439      444           -0   0.42411501 
-   28000    2.1759491      444           -0   0.43982297 
-   29000     2.243813      444           -0   0.45553093 
-   30000     2.312156      444           -0    0.4712389 
-   31000    2.3742449      444           -0   0.48694686 
-   32000     2.435447      444           -0   0.50265482 
-   33000     2.495765      444           -0   0.51836279 
-   34000     2.556865      444           -0   0.53407075 
-   35000    2.6201291      444           -0   0.54977871 
-   36000    2.6843281      444           -0   0.56548668 
-   37000    2.7505059      444           -0   0.58119464 
-   38000     2.817348      444           -0    0.5969026 
-   39000    2.8837919      444           -0   0.61261057 
-   40000     2.951216      444           -0   0.62831853 
-   41000     3.012845      444           -0   0.64402649 
-   42000     3.074688      444           -0   0.65973446 
-   43000      3.13556      444           -0   0.67544242 
-   44000    3.1965449      444           -0   0.69115038 
-   45000    3.2582009      444           -0   0.70685835 
-   46000    3.3201971      444           -0   0.72256631 
-   47000    3.3819821      444           -0   0.73827427 
-   48000    3.4455171      444           -0   0.75398224 
-   49000     3.508738      444           -0    0.7696902 
-   50000    3.5734961      444           -0   0.78539816 
-   51000    3.6333289      444           -0   0.80110613 
-   52000     3.694531      444           -0   0.81681409 
-   53000     3.757041      444           -0   0.83252205 
-   54000     3.820612      444           -0   0.84823002 
-   55000    3.8852711      444           -0   0.86393798 
-   56000     3.950211      444           -0   0.87964594 
-   57000     4.015795      444           -0   0.89535391 
-   58000    4.0818441      444           -0   0.91106187 
-   59000    4.1476641      444           -0   0.92676983 
-   60000    4.2141221      444           -0    0.9424778 
-   61000     4.276612      444           -0   0.95818576 
-   62000     4.339952      444           -0   0.97389372 
-   63000     4.404351      444           -0   0.98960169 
-   64000    4.4700999      444           -0    1.0053096 
-   65000    4.5364759      444           -0    1.0210176 
-   66000     4.605715      444           -0    1.0367256 
-   67000     4.677629      444           -0    1.0524335 
-   68000    4.7494669      444           -0    1.0681415 
-   69000    4.8212609      444           -0    1.0838495 
-   70000     4.894326      444           -0    1.0995574 
-   71000    4.9639831      444           -0    1.1152654 
-   72000    5.0345671      444           -0    1.1309734 
-   73000    5.1048689      444           -0    1.1466813 
-   74000     5.175498      444           -0    1.1623893 
-   75000    5.2477591      444           -0    1.1780972 
-   76000    5.3205409      444           -0    1.1938052 
-   77000     5.394573      444           -0    1.2095132 
-   78000    5.4685309      444           -0    1.2252211 
-   79000    5.5431759      444           -0    1.2409291 
-   80000    5.6212411      444           -0    1.2566371 
-   81000    5.6890731      444           -0     1.272345 
-   82000    5.7582159      444           -0     1.288053 
-   83000    5.8298571      444           -0     1.303761 
-   84000    5.9029069      444           -0    1.3194689 
-   85000    6.0061591      888           -0    1.3351769 
-   86000    6.1541281      888           -0    1.3508848 
-   87000    6.3004079      888           -0    1.3665928 
-   88000    6.4460659      888           -0    1.3823008 
-   89000     6.591886      888           -0    1.3980087 
-   90000    6.7376239      888           -0    1.4137167 
-   91000     6.850734      888           -0    1.4294247 
-   92000    6.9631939      888           -0    1.4451326 
-   93000    7.0786369      888           -0    1.4608406 
-   94000    7.1958089      888           -0    1.4765485 
-   95000    7.3130219      888           -0    1.4922565 
-   96000     7.430867      888           -0    1.5079645 
-   97000    7.5498819      888           -0    1.5236724 
-   98000     7.673686      888           -0    1.5393804 
-   99000    7.7966969      888           -0    1.5550884 
-  100000     7.921546      888           -0    1.5707963 
-  101000    8.0396931      888           -0    1.5865043 
-  102000    8.1583791      888           -0    1.6022123 
-  103000     8.276613      888           -0    1.6179202 
-  104000    8.3952639      888           -0    1.6336282 
-  105000     8.514308      888           -0    1.6493361 
-  106000    8.6361439      888           -0    1.6650441 
-  107000     8.762326      888           -0    1.6807521 
-  108000    8.8900061      888           -0      1.69646 
-  109000    9.0179789      888           -0     1.712168 
-  110000    9.1496761      888           -0     1.727876 
-  111000    9.2728269      888           -0    1.7435839 
-  112000     9.398078      888           -0    1.7592919 
-  113000     9.519841      888           -0    1.7749998 
-  114000     9.642343      888           -0    1.7907078 
-  115000    9.7643859      888           -0    1.8064158 
-  116000    9.8893411      888           -0    1.8221237 
-  117000     10.01295      888           -0    1.8378317 
-  118000    10.137574      888           -0    1.8535397 
-  119000    10.263738      888           -0    1.8692476 
-  120000    10.388673      888           -0    1.8849556 
-  121000    10.507599      888           -0    1.9006636 
-  122000    10.623901      888           -0    1.9163715 
-  123000    10.740251      888           -0    1.9320795 
-  124000    10.857467      888           -0    1.9477874 
-  125000    10.975856      888           -0    1.9634954 
-  126000    11.096002      888           -0    1.9792034 
-  127000    11.217218      888           -0    1.9949113 
-  128000    11.341925      888           -0    2.0106193 
-  129000    11.467607      888           -0    2.0263273 
-  130000     11.59517      888           -0    2.0420352 
-  131000     11.71358      888           -0    2.0577432 
-  132000    11.833024      888           -0    2.0734512 
-  133000    11.954967      888           -0    2.0891591 
-  134000    12.078482      888           -0    2.1048671 
-  135000    12.202435      888           -0     2.120575 
-  136000    12.327202      888           -0     2.136283 
-  137000    12.453334      888           -0     2.151991 
-  138000    12.583142      888           -0    2.1676989 
-  139000    12.718396      888           -0    2.1834069 
-  140000    12.854459      888           -0    2.1991149 
-  141000    12.981024      888           -0    2.2148228 
-  142000    13.108875      888           -0    2.2305308 
-  143000    13.236802      888           -0    2.2462387 
-  144000     13.36691      888           -0    2.2619467 
-  145000    13.500126      888           -0    2.2776547 
-  146000    13.633748      888           -0    2.2933626 
-  147000    13.769077      888           -0    2.3090706 
-  148000     13.90522      888           -0    2.3247786 
-  149000    14.040417      888           -0    2.3404865 
-  150000    14.176483      888           -0    2.3561945 
-  151000    14.303389      888           -0    2.3719025 
-  152000    14.432187      888           -0    2.3876104 
-  153000    14.559857      888           -0    2.4033184 
-  154000    14.691256      888           -0    2.4190263 
-  155000    14.823413      888           -0    2.4347343 
-  156000    14.956581      888           -0    2.4504423 
-  157000    15.090666      888           -0    2.4661502 
-  158000    15.228012      888           -0    2.4818582 
-  159000    15.364569      888           -0    2.4975662 
-  160000    15.501847      888           -0    2.5132741 
-  161000    15.642772      888           -0    2.5289821 
-  162000    15.783889      888           -0      2.54469 
-  163000    15.926508      888           -0     2.560398 
-  164000     16.07293      888           -0     2.576106 
-  165000    16.221293      888           -0    2.5918139 
-  166000    16.371738      888           -0    2.6075219 
-  167000    16.523027      888           -0    2.6232299 
-  168000    16.675525      888           -0    2.6389378 
-  169000    16.830527      888           -0    2.6546458 
-  170000    16.989955     1000           -0    2.6703538 
-  171000     17.14772     1000           -0    2.6860617 
-  172000    17.305565     1000           -0    2.7017697 
-  173000    17.463517     1000           -0    2.7174776 
-  174000    17.623862     1000           -0    2.7331856 
-  175000    17.788165     1000           -0    2.7488936 
-  176000    17.952028     1000           -0    2.7646015 
-  177000    18.119269     1000           -0    2.7803095 
-  178000    18.285714     1000           -0    2.7960175 
-  179000    18.452439     1000           -0    2.8117254 
-  180000    18.621119     1000           -0    2.8274334 
-  181000    18.777982     1000           -0    2.8431414 
-  182000    18.940248     1000           -0    2.8588493 
-  183000    19.105385     1000           -0    2.8745573 
-  184000    19.273934     1000           -0    2.8902652 
-  185000    19.450922     1000           -0    2.9059732 
-  186000    19.625563     1000           -0    2.9216812 
-  187000    19.801329     1000           -0    2.9373891 
-  188000    19.976869     1000           -0    2.9530971 
-  189000    20.151134     1000           -0    2.9688051 
-  190000    20.319214     1000           -0     2.984513 
-  191000    20.485033     1000           -0     3.000221 
-  192000    20.652254     1000           -0    3.0159289 
-  193000    20.820876     1000           -0    3.0316369 
-  194000    20.988597     1000           -0    3.0473449 
-  195000    21.154705     1000           -0    3.0630528 
-  196000    21.322634     1000           -0    3.0787608 
-  197000    21.489394     1000           -0    3.0944688 
-  198000    21.659512     1000           -0    3.1101767 
-  199000    21.833228     1000           -0    3.1258847 
-  200000    22.006487     1000           -0    3.1415927 
-Loop time of 22.0065 on 4 procs for 200000 steps with 1000 atoms
-
-Performance: 37102.953 tau/day, 9088.222 timesteps/s
-99.1% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.67692    | 1.166      | 1.6704     |  44.4 |  5.30
-Neigh   | 0.01562    | 0.018723   | 0.0222     |   2.3 |  0.09
-Comm    | 3.845      | 4.4454     | 5.0282     |  26.1 | 20.20
-Output  | 0.0043464  | 0.0052906  | 0.0056455  |   0.8 |  0.02
-Modify  | 12.239     | 13.152     | 14.347     |  25.1 | 59.76
-Other   |            | 3.22       |            |       | 14.63
-
-Nlocal:    250 ave 257 max 244 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-Nghost:    305.75 ave 372 max 242 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-Neighs:    982.5 ave 1380 max 572 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 3930
-Ave neighs/atom = 3.93
-Neighbor list builds = 216
-Dangerous builds = 0
-unfix 		ins
-run		200000
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.79826
-  ghost atom cutoff = 1.79826
-  binsize = 0.899132 -> bins = 23 23 23
-Memory usage per processor = 8.63577 Mbytes
-Step CPU Atoms KinEng v_theta 
-  200000            0     1000   0.90316284    3.1415927 
-  201000   0.16518497     1000    0.8867387    3.1573006 
-  202000   0.33065486     1000   0.88745316    3.1730086 
-  203000    0.4991529     1000   0.87793424    3.1887165 
-  204000    0.6695168     1000   0.87009551    3.2044245 
-  205000   0.83599901     1000   0.86431259    3.2201325 
-  206000     1.001833     1000   0.85039776    3.2358404 
-  207000     1.166487     1000   0.82897867    3.2515484 
-  208000    1.3331649     1000   0.82069182    3.2672564 
-  209000    1.5031869     1000   0.82349024    3.2829643 
-  210000    1.6751509     1000   0.81859611    3.2986723 
-  211000     1.846776     1000   0.82053992    3.3143802 
-  212000    2.0198569     1000   0.82832647    3.3300882 
-  213000    2.1932938     1000   0.82676865    3.3457962 
-  214000    2.3676898     1000   0.82425781    3.3615041 
-  215000    2.5424879     1000   0.83127148    3.3772121 
-  216000     2.715348     1000   0.83925992    3.3929201 
-  217000    2.8844988     1000   0.84390181     3.408628 
-  218000    3.0485029     1000   0.85705713     3.424336 
-  219000     3.211767     1000   0.85325946     3.440044 
-  220000    3.3767338     1000   0.85641557    3.4557519 
-  221000    3.5419538     1000   0.86922287    3.4714599 
-  222000     3.710084     1000   0.89591143    3.4871678 
-  223000     3.880873     1000   0.90395821    3.5028758 
-  224000     4.054816     1000   0.91161431    3.5185838 
-  225000    4.2260928     1000   0.92716425    3.5342917 
-  226000    4.3996999     1000   0.91664886    3.5499997 
-  227000    4.5679309     1000    0.9128853    3.5657077 
-  228000    4.7353978     1000   0.91063998    3.5814156 
-  229000    4.9045198     1000   0.90616712    3.5971236 
-  230000     5.079206     1000    0.9042797    3.6128316 
-  231000     5.252316     1000   0.91588137    3.6285395 
-  232000    5.4218178     1000   0.92322871    3.6442475 
-  233000     5.592988     1000   0.92370885    3.6599554 
-  234000     5.753634     1000   0.91531408    3.6756634 
-  235000    5.9159088     1000   0.91016621    3.6913714 
-  236000    6.0817358     1000   0.89501073    3.7070793 
-  237000     6.249059     1000   0.88504426    3.7227873 
-  238000    6.4182718     1000   0.88268268    3.7384953 
-  239000    6.5897119     1000   0.87811868    3.7542032 
-  240000     6.758353     1000   0.88272663    3.7699112 
-  241000     6.928581     1000   0.87751512    3.7856191 
-  242000    7.0978079     1000   0.87017281    3.8013271 
-  243000     7.268832     1000   0.86587613    3.8170351 
-  244000     7.439904     1000   0.85157794     3.832743 
-  245000    7.6105168     1000    0.8291738     3.848451 
-  246000    7.7830069     1000   0.82315948     3.864159 
-  247000    7.9578128     1000   0.81231703    3.8798669 
-  248000     8.134944     1000   0.79931415    3.8955749 
-  249000    8.3061719     1000   0.78877578    3.9112829 
-  250000     8.476692     1000   0.78519942    3.9269908 
-  251000    8.6525538     1000   0.78837716    3.9426988 
-  252000    8.8288019     1000   0.79621044    3.9584067 
-  253000     9.006846     1000   0.78744385    3.9741147 
-  254000    9.1839809     1000   0.78810047    3.9898227 
-  255000    9.3600328     1000   0.79053484    4.0055306 
-  256000     9.538172     1000   0.79976932    4.0212386 
-  257000    9.7188668     1000   0.81724577    4.0369466 
-  258000    9.9032769     1000   0.81135963    4.0526545 
-  259000    10.084928     1000   0.82017101    4.0683625 
-  260000    10.266693     1000   0.82352898    4.0840704 
-  261000    10.449515     1000   0.81662689    4.0997784 
-  262000    10.630166     1000   0.82707216    4.1154864 
-  263000    10.812056     1000   0.82001278    4.1311943 
-  264000    10.991668     1000   0.81136264    4.1469023 
-  265000    11.172162     1000   0.80507755    4.1626103 
-  266000    11.353101     1000   0.80247583    4.1783182 
-  267000    11.533476     1000   0.78870449    4.1940262 
-  268000    11.716022     1000   0.77775428    4.2097342 
-  269000    11.900351     1000   0.78170639    4.2254421 
-  270000    12.083609     1000   0.78023258    4.2411501 
-  271000    12.266298     1000   0.76257507     4.256858 
-  272000    12.449454     1000   0.75871195     4.272566 
-  273000    12.633748     1000   0.75909277     4.288274 
-  274000    12.820916     1000   0.76329234    4.3039819 
-  275000    13.004197     1000   0.76188557    4.3196899 
-  276000    13.188507     1000   0.75974847    4.3353979 
-  277000    13.372202     1000   0.75392834    4.3511058 
-  278000    13.557712     1000   0.74837333    4.3668138 
-  279000    13.747933     1000   0.74268307    4.3825218 
-  280000    13.934871     1000   0.73840427    4.3982297 
-  281000     14.11717     1000   0.73817851    4.4139377 
-  282000     14.30208     1000   0.73666069    4.4296456 
-  283000    14.485039     1000   0.74064713    4.4453536 
-  284000    14.671087     1000   0.73916222    4.4610616 
-  285000    14.863267     1000   0.73225442    4.4767695 
-  286000    15.050005     1000    0.7312283    4.4924775 
-  287000    15.234556     1000   0.72947519    4.5081855 
-  288000    15.422593     1000   0.72469992    4.5238934 
-  289000    15.609153     1000   0.70843645    4.5396014 
-  290000    15.797906     1000   0.69731415    4.5553093 
-  291000    15.983677     1000   0.69099822    4.5710173 
-  292000    16.168935     1000   0.68855366    4.5867253 
-  293000    16.355853     1000   0.69826256    4.6024332 
-  294000    16.544831     1000   0.70211589    4.6181412 
-  295000    16.733875     1000    0.7055847    4.6338492 
-  296000    16.918698     1000   0.69692413    4.6495571 
-  297000    17.100869     1000   0.68027227    4.6652651 
-  298000    17.280404     1000   0.67254493    4.6809731 
-  299000     17.46406     1000   0.67767946     4.696681 
-  300000    17.652748     1000   0.68480172     4.712389 
-  301000     17.84199     1000   0.67864643    4.7280969 
-  302000    18.025759     1000   0.67656342    4.7438049 
-  303000    18.208747     1000   0.67719641    4.7595129 
-  304000    18.391225     1000   0.68049491    4.7752208 
-  305000    18.576276     1000   0.68230722    4.7909288 
-  306000    18.764125     1000      0.67985    4.8066368 
-  307000    18.956063     1000   0.67790944    4.8223447 
-  308000    19.147159     1000    0.6836647    4.8380527 
-  309000    19.339173     1000   0.69705355    4.8537606 
-  310000    19.530591     1000   0.69858847    4.8694686 
-  311000    19.720214     1000   0.69448554    4.8851766 
-  312000    19.907717     1000   0.68878539    4.9008845 
-  313000    20.088793     1000   0.68810484    4.9165925 
-  314000    20.268118     1000   0.68483484    4.9323005 
-  315000    20.445564     1000   0.67732034    4.9480084 
-  316000    20.627415     1000   0.67943319    4.9637164 
-  317000    20.807826     1000   0.67326868    4.9794244 
-  318000    20.983587     1000   0.67762092    4.9951323 
-  319000    21.156655     1000   0.68914624    5.0108403 
-  320000    21.331391     1000   0.69872806    5.0265482 
-  321000    21.506313     1000   0.71510434    5.0422562 
-  322000    21.679505     1000   0.71452122    5.0579642 
-  323000     21.85396     1000   0.71765429    5.0736721 
-  324000     22.02904     1000   0.72748838    5.0893801 
-  325000    22.205191     1000   0.72974854    5.1050881 
-  326000     22.38063     1000   0.73324928     5.120796 
-  327000    22.555817     1000   0.72479525     5.136504 
-  328000    22.729859     1000   0.71942855     5.152212 
-  329000    22.903234     1000   0.71890587    5.1679199 
-  330000    23.078575     1000   0.73495891    5.1836279 
-  331000    23.252865     1000   0.74306733    5.1993358 
-  332000    23.427175     1000   0.75274051    5.2150438 
-  333000    23.604881     1000   0.75981346    5.2307518 
-  334000    23.789045     1000   0.75410165    5.2464597 
-  335000    23.971105     1000   0.74802374    5.2621677 
-  336000    24.150954     1000   0.73111266    5.2778757 
-  337000    24.331991     1000   0.72226021    5.2935836 
-  338000    24.515157     1000   0.70866271    5.3092916 
-  339000     24.69639     1000   0.70253496    5.3249995 
-  340000    24.879524     1000   0.69381505    5.3407075 
-  341000    25.061928     1000   0.68285569    5.3564155 
-  342000      25.2437     1000   0.67262303    5.3721234 
-  343000    25.423809     1000   0.67160137    5.3878314 
-  344000    25.605531     1000   0.67658439    5.4035394 
-  345000     25.78848     1000   0.67113748    5.4192473 
-  346000    25.969866     1000   0.67506296    5.4349553 
-  347000    26.152485     1000   0.67686518    5.4506633 
-  348000    26.335445     1000   0.68878941    5.4663712 
-  349000    26.522271     1000   0.70728493    5.4820792 
-  350000    26.709942     1000   0.70870657    5.4977871 
-  351000    26.889998     1000   0.71541489    5.5134951 
-  352000    27.069872     1000   0.71827633    5.5292031 
-  353000    27.249259     1000    0.7099127     5.544911 
-  354000    27.428386     1000   0.70507946     5.560619 
-  355000    27.607797     1000   0.70709703     5.576327 
-  356000    27.788887     1000   0.70637714    5.5920349 
-  357000    27.975344     1000    0.7088694    5.6077429 
-  358000    28.164236     1000   0.70907948    5.6234508 
-  359000    28.352999     1000   0.71504714    5.6391588 
-  360000    28.539172     1000   0.71417205    5.6548668 
-  361000    28.722691     1000   0.70716852    5.6705747 
-  362000    28.906856     1000   0.70193967    5.6862827 
-  363000    29.087598     1000   0.69786793    5.7019907 
-  364000    29.268141     1000   0.68714789    5.7176986 
-  365000    29.450765     1000   0.68170443    5.7334066 
-  366000    29.633131     1000   0.67832571    5.7491146 
-  367000    29.816219     1000   0.67809457    5.7648225 
-  368000    29.999479     1000   0.66886004    5.7805305 
-  369000    30.182675     1000   0.67233336    5.7962384 
-  370000     30.36698     1000   0.67433369    5.8119464 
-  371000    30.550787     1000   0.67478226    5.8276544 
-  372000    30.736018     1000   0.67882814    5.8433623 
-  373000    30.922576     1000   0.68494254    5.8590703 
-  374000    31.107558     1000   0.69046765    5.8747783 
-  375000    31.291329     1000   0.69398953    5.8904862 
-  376000    31.474582     1000   0.68692367    5.9061942 
-  377000    31.656979     1000     0.674184    5.9219022 
-  378000     31.83851     1000   0.65899449    5.9376101 
-  379000    32.019869     1000   0.65198402    5.9533181 
-  380000    32.200375     1000   0.64366122     5.969026 
-  381000    32.381651     1000   0.64443345     5.984734 
-  382000    32.561897     1000   0.64655912     6.000442 
-  383000    32.743947     1000   0.64894161    6.0161499 
-  384000    32.927231     1000   0.65259561    6.0318579 
-  385000     33.11882     1000   0.65230446    6.0475659 
-  386000    33.311072     1000   0.64177598    6.0632738 
-  387000     33.50435     1000   0.63900349    6.0789818 
-  388000    33.695734     1000   0.64611067    6.0946897 
-  389000    33.885915     1000   0.64943993    6.1103977 
-  390000    34.076093     1000   0.66303716    6.1261057 
-  391000    34.264909     1000   0.68916583    6.1418136 
-  392000     34.45411     1000   0.71501556    6.1575216 
-  393000    34.644116     1000   0.73685375    6.1732296 
-  394000    34.834608     1000   0.74461041    6.1889375 
-  395000    35.025693     1000   0.75251204    6.2046455 
-  396000    35.217372     1000   0.75493054    6.2203535 
-  397000    35.407008     1000   0.77028775    6.2360614 
-  398000    35.594868     1000    0.7686439    6.2517694 
-  399000    35.778411     1000   0.75167376    6.2674773 
-  400000    35.962646     1000   0.73505917    6.2831853 
-Loop time of 35.9627 on 4 procs for 200000 steps with 1000 atoms
-
-Performance: 22704.278 tau/day, 5561.323 timesteps/s
-99.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.0549     | 3.4094     | 4.9773     |  72.1 |  9.48
-Neigh   | 0.022087   | 0.026923   | 0.032716   |   2.9 |  0.07
-Comm    | 7.3555     | 9.2143     | 10.854     |  53.0 | 25.62
-Output  | 0.0046289  | 0.0058927  | 0.0071292  |   1.4 |  0.02
-Modify  | 17.504     | 19.601     | 22.342     |  44.9 | 54.50
-Other   |            | 3.705      |            |       | 10.30
-
-Nlocal:    250 ave 269 max 225 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Nghost:    408.5 ave 500 max 320 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Neighs:    1262.25 ave 1665 max 880 min
-Histogram: 1 0 1 0 0 0 0 1 0 1
-
-Total # of neighbors = 5049
-Ave neighs/atom = 5.049
-Neighbor list builds = 166
-Dangerous builds = 0
-Total wall time: 0:00:57
diff --git a/examples/hugoniostat/in.hugoniostat b/examples/hugoniostat/in.hugoniostat
index affc97980c..01c2a246fc 100644
--- a/examples/hugoniostat/in.hugoniostat
+++ b/examples/hugoniostat/in.hugoniostat
@@ -15,7 +15,7 @@
 units           lj
 boundary        p p p
 
-atom_style	atomic
+atom_style      atomic
 
 # Set up FCC lattice with z axis along <110>
 
@@ -39,10 +39,10 @@ pair_coeff * * 1.0 0.8908987
 fix             3 all box/relax aniso 0.0 vmax 1.0e-4 nreset 100
 
 thermo          100
-thermo_style	custom step temp pe etotal pxx pyy pzz lx ly lz 
+thermo_style    custom step temp pe etotal pxx pyy pzz lx ly lz 
 
 min_modify      line quadratic
-minimize	0.0 1.0e-6 10000 100000
+minimize        0.0 1.0e-6 10000 100000
 
 # Define initial velocity
 
@@ -51,8 +51,6 @@ write_restart restart.equil
 
 # Start Run #1
 
-log log.nodrag
-
 clear
 read_restart restart.equil
 
@@ -87,22 +85,20 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
 
 fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (no drag)'
 
-#dump		id all atom 500 dump.hugoniostat
+#dump           id all atom 500 dump.hugoniostat
 
-#dump		2 all image 500 image.*.jpg type type &
-#		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 5
+#dump           2 all image 500 image.*.jpg type type &
+#               axes yes 0.8 0.02 view 60 -30
+#dump_modify    2 pad 5
 
-#dump		3 all movie 500 movie.mpg type type &
-#		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 5
+#dump           3 all movie 500 movie.mpg type type &
+#               axes yes 0.8 0.02 view 60 -30
+#dump_modify    3 pad 5
 
-run		10000
+run             10000
 
 # Start Run #2
 
-log log.drag
-
 clear
 read_restart restart.equil
 
@@ -137,12 +133,10 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
 
 fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (with drag)'
 
-run		10000
+run             10000
 
 # Start Run #3
 
-log log.nhchains
-
 clear
 read_restart restart.equil
 
@@ -177,5 +171,5 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
 
 fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (Nose-Hoover chain)'
 
-run		10000
+run             10000
 
diff --git a/examples/hugoniostat/log.27Nov18.hugoniostat.g++.1 b/examples/hugoniostat/log.27Nov18.hugoniostat.g++.1
new file mode 100644
index 0000000000..2473641dea
--- /dev/null
+++ b/examples/hugoniostat/log.27Nov18.hugoniostat.g++.1
@@ -0,0 +1,401 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# This script reproduces stress trajectories from Fig. 1 in
+# Ravelo, Holian, Germann, and Lomdahl, PRB 70 014103 (2004)
+#
+# Three thermostatting scenarios are visited: undamped (nodrag),
+# damped (drag) and Nose-Hoover chain (nhchains).
+#
+# The axial and shear stress trajectories are printed to the
+# file "stress_vs_t.dat". For the damped case, the original figure
+# seems to be a plot of 2*tau, rather than tau.
+#
+# The script also demonstrates how to
+# orient a crystal along <110>,
+# and how to use the lj/cubic pair style.
+
+units           lj
+boundary        p p p
+
+atom_style      atomic
+
+# Set up FCC lattice with z axis along <110>
+
+lattice                fcc 1.4142136                        orient x 0 0 1                        orient y 1 -1 0                        orient z 1 1 0
+Lattice spacing in x,y,z = 1.41421 2 2
+
+region         mycell block 0.0 5.0 0.0 5.0 0.0 5.0 units lattice
+create_box     1 mycell
+Created orthogonal box = (0 0 0) to (7.07107 10 10)
+  1 by 1 by 1 MPI processor grid
+mass           * 1.0
+create_atoms   1 box
+Created 1000 atoms
+  Time spent = 0.000465155 secs
+
+# Using units of Rmin, so sigma = 2^-1/6 = 0.8908987
+
+pair_style lj/cubic
+pair_coeff * * 1.0 0.8908987
+
+# Relax box dimensions
+
+fix             3 all box/relax aniso 0.0 vmax 1.0e-4 nreset 100
+
+thermo          100
+thermo_style    custom step temp pe etotal pxx pyy pzz lx ly lz
+
+min_modify      line quadratic
+minimize        0.0 1.0e-6 10000 100000
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.84754
+  ghost atom cutoff = 1.84754
+  binsize = 0.923769, bins = 8 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.247 | 4.247 | 4.247 Mbytes
+Step Temp PotEng TotEng Pxx Pyy Pzz Lx Ly Lz 
+       0            0   -6.2937539   -6.2937539   -2.7722431   -2.7722431   -2.7722431    7.0710677    9.9999999    9.9999999 
+     100            0   -6.3319018   -6.3319018  -0.75971321  -0.75971321  -0.75971321    7.0003571    9.8999999    9.8999999 
+     134            0   -6.3344257   -6.3344257 -4.5005818e-13 -4.9677973e-13 -4.9219424e-13    6.9780266    9.8684199    9.8684199 
+Loop time of 0.0724094 on 1 procs for 134 steps with 1000 atoms
+
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = force tolerance
+  Energy initial, next-to-last, final = 
+         -6.2937539309     -6.33442568056     -6.33442568056
+  Force two-norm initial, final = 3395.29 5.83329e-10
+  Force max component initial, final = 1960.27 3.42093e-10
+  Final line search alpha, max atom move = 1 3.42093e-10
+  Iterations, force evaluations = 134 137
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.054599   | 0.054599   | 0.054599   |   0.0 | 75.40
+Neigh   | 0.0011106  | 0.0011106  | 0.0011106  |   0.0 |  1.53
+Comm    | 0.002012   | 0.002012   | 0.002012   |   0.0 |  2.78
+Output  | 1.955e-05  | 1.955e-05  | 1.955e-05  |   0.0 |  0.03
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.01467    |            |       | 20.26
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1724 ave 1724 max 1724 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    21000 ave 21000 max 21000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 21000
+Ave neighs/atom = 21
+Neighbor list builds = 1
+Dangerous builds = 0
+
+# Define initial velocity
+
+velocity        all create 0.01 87287 mom yes rot yes dist gaussian
+write_restart restart.equil
+
+# Start Run #1
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 1 by 1 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term off
+
+fix myhug all nphug temp 1.0 1.0 10.0 z 40.0 40.0 70.0 drag 0.0 tchain 1 pchain 0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (no drag)'
+
+#dump           id all atom 500 dump.hugoniostat
+
+#dump           2 all image 500 image.*.jpg type type #               axes yes 0.8 0.02 view 60 -30
+#dump_modify    2 pad 5
+
+#dump           3 all movie 500 movie.mpg type type #               axes yes 0.8 0.02 view 60 -30
+#dump_modify    3 pad 5
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.771 | 2.771 | 2.771 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014381062 -0.0002397183    9.8684199            0 -0.0048551451    2.3814196 0.0041108654 
+    1000 0.0093381489  0.013993216    -2.170443   -6.3381216    129.15286    58.544417    8.3142516   -4.1816719   0.93744258    23.519053    3.7381989 
+    2000   0.24794909   0.37155171   -5.8915802   -6.0429087    8.3850692    1.3744507    9.5938765   -0.5228803   -0.2435043    13.910468    0.4103393 
+    3000   0.38920701    0.5832267    -3.768677   -6.6246124    72.742761    28.486747     8.623805    -3.439162  0.003825459    19.697379    2.5139668 
+    4000   0.67009971    1.0041444   -4.2080644   -6.1365367    35.596179    3.9344133    8.7508422   -2.9326167  -0.58039603    14.529822    1.6677129 
+    5000   0.41848975   0.62710689   -4.8393088   -6.1026724    30.626544    4.6387208    8.7827245   -1.8904705  -0.31996439    13.670884    1.5250343 
+    6000   0.22410139   0.33581594   -3.7652941   -6.0923259    50.807437    7.2229456    8.2549488   -2.6628477 -0.017396966      14.4806    2.3884652 
+    7000  0.095001485   0.14235972   -4.5436753   -6.7307217      35.8743    3.4938089    8.4476287   -2.3294061 -0.052272192    12.957528    1.8846881 
+    8000  0.043277437  0.064851239   -4.6264096   -6.2447456    39.658659    6.7266325    8.4327483   -1.6831873  0.070488482    13.553882    1.9918311 
+    9000  0.018271956  0.027380526   -4.4239627   -6.3085661    41.708324    5.9081923    8.3463321   -1.9119839  0.091057512    13.503882    2.1025305 
+   10000 0.0082840001  0.012413574    -4.622252   -6.3316699    39.830379    6.5596321    8.4109569   -1.7218314  0.099435465    13.482451    2.0110543 
+Loop time of 6.20702 on 1 procs for 10000 steps with 1000 atoms
+
+Performance: 139197.321 tau/day, 1611.080 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.0198     | 5.0198     | 5.0198     |   0.0 | 80.87
+Neigh   | 0.21405    | 0.21405    | 0.21405    |   0.0 |  3.45
+Comm    | 0.16164    | 0.16164    | 0.16164    |   0.0 |  2.60
+Output  | 0.00053501 | 0.00053501 | 0.00053501 |   0.0 |  0.01
+Modify  | 0.7419     | 0.7419     | 0.7419     |   0.0 | 11.95
+Other   |            | 0.06911    |            |       |  1.11
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1886 ave 1886 max 1886 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    20874 ave 20874 max 20874 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 20874
+Ave neighs/atom = 20.874
+Neighbor list builds = 188
+Dangerous builds = 0
+
+# Start Run #2
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 1 by 1 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term on
+
+fix myhug all nphug temp 1.0 1.0 1.0 z 40.0 40.0 70.0 drag 200.0 tchain 1 pchain 0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (with drag)'
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.771 | 2.771 | 2.771 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014381062 -0.0002397183    9.8684199            0 -0.0048551451    2.3814196 0.0041108654 
+    1000 0.0062572991 0.0093765627   -5.9890874     -7.64465    18.918117    7.5844397    9.2338165   -1.6649392   0.02341947    13.976996   0.92138738 
+    2000  0.006845108  0.010257394   -5.4565813   -7.9786876    37.064254    15.537266    8.9496404   -2.5323637    0.1023062    16.325405    1.5455017 
+    3000 0.0073276109  0.010980425   -5.3663425   -7.9938818    39.907292    16.807488    8.9154852   -2.6385197   0.11818131    16.639049    1.6326833 
+    4000 0.0069296915  0.010384143   -5.3623404   -8.0023271    40.010741    16.851482    8.9144328   -2.6503708   0.11868152    16.651571    1.6356847 
+    5000 0.0076142476   0.01140995   -5.3631447   -8.0108329    39.997648    16.846756    8.9145416   -2.6590981   0.11841154    16.649778    1.6353255 
+    6000 0.0077053839  0.011546518   -5.3628542   -8.0192007    39.991597    16.840313    8.9145803   -2.6678931   0.11818376    16.648851    1.6351691 
+    7000 0.0077405662  0.011599239   -5.3623534   -8.0275624    40.000448    16.844008    8.9145774   -2.6768081   0.11809914    16.650669    1.6353525 
+    8000  0.008067359  0.012088937   -5.3623759   -8.0359471    39.995327    16.840134    8.9146099   -2.6856601   0.11787118    16.649881    1.6352204 
+    9000 0.0083223114  0.012470984   -5.3622992   -8.0443714     40.00571    16.847763    8.9146503   -2.6945431   0.11781538    16.652389    1.6353987 
+   10000 0.0091249143  0.013673684   -5.3630142   -8.0529573    39.987196    16.837314    8.9146848   -2.7036168   0.11743028    16.648831    1.6349911 
+Loop time of 5.48047 on 1 procs for 10000 steps with 1000 atoms
+
+Performance: 157650.687 tau/day, 1824.661 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.5166     | 4.5166     | 4.5166     |   0.0 | 82.41
+Neigh   | 0.012162   | 0.012162   | 0.012162   |   0.0 |  0.22
+Comm    | 0.14168    | 0.14168    | 0.14168    |   0.0 |  2.59
+Output  | 0.00053787 | 0.00053787 | 0.00053787 |   0.0 |  0.01
+Modify  | 0.74394    | 0.74394    | 0.74394    |   0.0 | 13.57
+Other   |            | 0.06553    |            |       |  1.20
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1724 ave 1724 max 1724 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    21000 ave 21000 max 21000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 21000
+Ave neighs/atom = 21
+Neighbor list builds = 11
+Dangerous builds = 0
+
+# Start Run #3
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 1 by 1 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term off, Nose-Hoover chains
+
+fix myhug all nphug temp 1.0 1.0 1.0 z 40.0 40.0 70.0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (Nose-Hoover chain)'
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.771 | 2.771 | 2.771 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014381062 -0.0002397183    9.8684199            0 -0.0048551451    2.3814196 0.0041108654 
+    1000 0.0083300394  0.012482564   -5.5023188   -6.3233387    35.610076    14.886667    8.9677982  -0.83350251  0.093761848    16.159481     1.500112 
+    2000  0.020386462  0.030549113   -5.2949349   -6.2805556    41.760388    17.563305     8.896033   -1.0161699   0.11780863     16.85284    1.6868235 
+    3000  0.049693152  0.074465188   -5.3469434   -6.2493961    39.030372    16.123483    8.9325594   -0.9769179  0.073097387    16.601986    1.6003716 
+    4000   0.11859514   0.17771482    -5.207077   -6.3242752    40.941558    16.507785    8.9213147   -1.2949131  0.018189678    16.904156    1.6487282 
+    5000   0.13014573   0.19502337   -5.2610248    -6.269279    39.059628    15.609345    8.9431685   -1.2032776 -0.00023747376    16.701437    1.5920344 
+    6000    0.1381307   0.20698886    -5.171005   -6.2931942    40.904837    16.242165    8.9222854   -1.3291781 -0.0044770368    16.905086    1.6471589 
+    7000   0.12107326   0.18142828   -5.2602554   -6.2438099    39.060928     15.57765    8.9397525   -1.1649827 0.0055890257    16.671524     1.594944 
+    8000   0.14333636   0.21478954   -5.1717123    -6.304602    40.876188    16.205815    8.9218142   -1.3476793 -0.0069396327    16.895033    1.6469846 
+    9000   0.12159663   0.18221255   -5.2591911   -6.2587685    39.228648    15.677869    8.9376641     -1.18179 0.0077357066    16.688862    1.6001283 
+   10000   0.15321883   0.22959841   -5.1881787   -6.3448453    40.666451    16.146177     8.922851    -1.386265 -0.0091929687    16.860705    1.6418699 
+Loop time of 5.6426 on 1 procs for 10000 steps with 1000 atoms
+
+Performance: 153120.907 tau/day, 1772.233 timesteps/s
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 4.5653     | 4.5653     | 4.5653     |   0.0 | 80.91
+Neigh   | 0.10885    | 0.10885    | 0.10885    |   0.0 |  1.93
+Comm    | 0.14695    | 0.14695    | 0.14695    |   0.0 |  2.60
+Output  | 0.00055218 | 0.00055218 | 0.00055218 |   0.0 |  0.01
+Modify  | 0.75364    | 0.75364    | 0.75364    |   0.0 | 13.36
+Other   |            | 0.0673     |            |       |  1.19
+
+Nlocal:    1000 ave 1000 max 1000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1724 ave 1724 max 1724 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    20654 ave 20654 max 20654 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 20654
+Ave neighs/atom = 20.654
+Neighbor list builds = 94
+Dangerous builds = 0
+
+Total wall time: 0:00:17
diff --git a/examples/hugoniostat/log.27Nov18.hugoniostat.g++.4 b/examples/hugoniostat/log.27Nov18.hugoniostat.g++.4
new file mode 100644
index 0000000000..30f1335ea9
--- /dev/null
+++ b/examples/hugoniostat/log.27Nov18.hugoniostat.g++.4
@@ -0,0 +1,401 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# This script reproduces stress trajectories from Fig. 1 in
+# Ravelo, Holian, Germann, and Lomdahl, PRB 70 014103 (2004)
+#
+# Three thermostatting scenarios are visited: undamped (nodrag),
+# damped (drag) and Nose-Hoover chain (nhchains).
+#
+# The axial and shear stress trajectories are printed to the
+# file "stress_vs_t.dat". For the damped case, the original figure
+# seems to be a plot of 2*tau, rather than tau.
+#
+# The script also demonstrates how to
+# orient a crystal along <110>,
+# and how to use the lj/cubic pair style.
+
+units           lj
+boundary        p p p
+
+atom_style      atomic
+
+# Set up FCC lattice with z axis along <110>
+
+lattice                fcc 1.4142136                        orient x 0 0 1                        orient y 1 -1 0                        orient z 1 1 0
+Lattice spacing in x,y,z = 1.41421 2 2
+
+region         mycell block 0.0 5.0 0.0 5.0 0.0 5.0 units lattice
+create_box     1 mycell
+Created orthogonal box = (0 0 0) to (7.07107 10 10)
+  1 by 2 by 2 MPI processor grid
+mass           * 1.0
+create_atoms   1 box
+Created 1000 atoms
+  Time spent = 0.0003438 secs
+
+# Using units of Rmin, so sigma = 2^-1/6 = 0.8908987
+
+pair_style lj/cubic
+pair_coeff * * 1.0 0.8908987
+
+# Relax box dimensions
+
+fix             3 all box/relax aniso 0.0 vmax 1.0e-4 nreset 100
+
+thermo          100
+thermo_style    custom step temp pe etotal pxx pyy pzz lx ly lz
+
+min_modify      line quadratic
+minimize        0.0 1.0e-6 10000 100000
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.84754
+  ghost atom cutoff = 1.84754
+  binsize = 0.923769, bins = 8 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.211 | 4.211 | 4.211 Mbytes
+Step Temp PotEng TotEng Pxx Pyy Pzz Lx Ly Lz 
+       0            0   -6.2937539   -6.2937539   -2.7722431   -2.7722431   -2.7722431    7.0710677    9.9999999    9.9999999 
+     100            0   -6.3319018   -6.3319018  -0.75971321  -0.75971321  -0.75971321    7.0003571    9.8999999    9.8999999 
+     134            0   -6.3344257   -6.3344257 -4.5046204e-13 -4.92206e-13 -4.9610344e-13    6.9780266    9.8684199    9.8684199 
+Loop time of 0.0269771 on 4 procs for 134 steps with 1000 atoms
+
+94.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+Minimization stats:
+  Stopping criterion = force tolerance
+  Energy initial, next-to-last, final = 
+         -6.2937539309     -6.33442568056     -6.33442568056
+  Force two-norm initial, final = 3395.29 5.80609e-10
+  Force max component initial, final = 1960.27 3.41627e-10
+  Final line search alpha, max atom move = 1 3.41627e-10
+  Iterations, force evaluations = 134 137
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.011534   | 0.013897   | 0.016008   |   1.3 | 51.51
+Neigh   | 0.00024176 | 0.00029498 | 0.00035191 |   0.0 |  1.09
+Comm    | 0.0029764  | 0.0050126  | 0.0073018  |   2.2 | 18.58
+Output  | 1.8835e-05 | 1.9968e-05 | 2.2888e-05 |   0.0 |  0.07
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 0.007753   |            |       | 28.74
+
+Nlocal:    250 ave 305 max 205 min
+Histogram: 1 0 0 0 2 0 0 0 0 1
+Nghost:    829 ave 874 max 774 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    5250 ave 6445 max 4305 min
+Histogram: 1 0 0 2 0 0 0 0 0 1
+
+Total # of neighbors = 21000
+Ave neighs/atom = 21
+Neighbor list builds = 1
+Dangerous builds = 0
+
+# Define initial velocity
+
+velocity        all create 0.01 87287 mom yes rot yes dist gaussian
+write_restart restart.equil
+
+# Start Run #1
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 2 by 2 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term off
+
+fix myhug all nphug temp 1.0 1.0 10.0 z 40.0 40.0 70.0 drag 0.0 tchain 1 pchain 0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (no drag)'
+
+#dump           id all atom 500 dump.hugoniostat
+
+#dump           2 all image 500 image.*.jpg type type #               axes yes 0.8 0.02 view 60 -30
+#dump_modify    2 pad 5
+
+#dump           3 all movie 500 movie.mpg type type #               axes yes 0.8 0.02 view 60 -30
+#dump_modify    3 pad 5
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.717 | 2.809 | 3.086 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014347835 -0.00026463907    9.8684199            0 -0.0048551516    2.3786668 0.0041061135 
+    1000  0.010586668  0.015864122   -2.1721826   -6.3380886    129.03334    58.456626    8.3141284   -4.1817701   0.93542408    23.507246    3.7366154 
+    2000    0.3321368   0.49770699    -5.584787   -6.0546694    12.097343    1.2026972    9.4615963  -0.96758935   -0.3571439    13.858218    0.5942385 
+    3000   0.46981685   0.70402055   -3.9208474   -6.3911005    63.005989    22.559106    8.6828663   -3.1742737  -0.16958917    18.776521    2.2842567 
+    4000   0.54866493   0.82217439   -4.1703408   -6.2427645    38.408608    4.9066022    8.6573289    -2.894598  -0.45434132    14.506935    1.8023166 
+    5000   0.30625495   0.45892304   -4.7355785    -6.186448    35.000599    6.2097986    8.6658098   -1.9097925  -0.19603125    13.896448    1.7145489 
+    6000   0.13938196   0.20886386    -4.303964   -5.7629121    50.370681    12.189231    8.3966581   -1.6678119   0.11451271    15.088809    2.2724852 
+    7000  0.055349516  0.082941249   -5.2031342   -6.8043199    30.859256    6.5562297    8.6850282    -1.684127  0.020586458    13.152479    1.5971879 
+    8000  0.027926794    0.0418483   -4.5281656   -5.4484008    48.145681    12.229919    8.4107051  -0.96208352   0.19922201    14.821877    2.2112219 
+    9000  0.018195086  0.027265336   -4.9847444   -6.5712684    37.347655    8.7291385    8.5606968   -1.6137894   0.10912534    13.773573    1.8458438 
+   10000 0.0082893467  0.012421586   -5.0130076   -6.6821423     36.46118    8.3386716    8.5689995   -1.6815563    0.1065388    13.651975    1.8180818 
+Loop time of 2.01177 on 4 procs for 10000 steps with 1000 atoms
+
+Performance: 429472.539 tau/day, 4970.747 timesteps/s
+98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.2437     | 1.2651     | 1.2843     |   1.7 | 62.89
+Neigh   | 0.051696   | 0.052503   | 0.053247   |   0.3 |  2.61
+Comm    | 0.24826    | 0.26724    | 0.28867    |   3.5 | 13.28
+Output  | 0.00058603 | 0.00085759 | 0.0016623  |   0.0 |  0.04
+Modify  | 0.37363    | 0.37671    | 0.38189    |   0.5 | 18.73
+Other   |            | 0.04935    |            |       |  2.45
+
+Nlocal:    250 ave 260 max 240 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    927.5 ave 934 max 921 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    5048.5 ave 5203 max 4889 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 20194
+Ave neighs/atom = 20.194
+Neighbor list builds = 175
+Dangerous builds = 0
+
+# Start Run #2
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 2 by 2 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term on
+
+fix myhug all nphug temp 1.0 1.0 1.0 z 40.0 40.0 70.0 drag 200.0 tchain 1 pchain 0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (with drag)'
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.717 | 2.809 | 3.086 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014347835 -0.00026463907    9.8684199            0 -0.0048551516    2.3786668 0.0041061135 
+    1000 0.0063089138 0.0094539073   -5.9892326   -7.6448129    18.914956    7.5823222    9.2337797   -1.6650342  0.023426454    13.975434   0.92133642 
+    2000 0.0068813683   0.01031173   -5.4566765   -7.9789037    37.064192    15.537213    8.9495783   -2.5325388   0.10234565     16.32485    1.5455517 
+    3000 0.0072427316  0.010853233   -5.3662818   -7.9940958    39.906002     16.80569    8.9154322   -2.6386672   0.11821344    16.638326    1.6327015 
+    4000 0.0070936522  0.010629838   -5.3626164   -8.0025859    40.007994    16.850321    8.9143648   -2.6505993   0.11869226    16.650416    1.6356859 
+    5000 0.0074091958   0.01110268   -5.3628943   -8.0110325    39.998199    16.845204    8.9144816   -2.6592409   0.11846422    16.649379    1.6353872 
+    6000 0.0077388573  0.011596678   -5.3629264   -8.0194804    39.995216    16.842807    8.9145056   -2.6681507   0.11826582    16.648964     1.635306 
+    7000 0.0076023298  0.011392091   -5.3621083   -8.0277598    39.998343    16.839762    8.9144789   -2.6770435   0.11810824    16.649386    1.6353924 
+    8000  0.007691692  0.011526001    -5.361706   -8.0360632    40.000701    16.839078    8.9144843   -2.6858833   0.11795313    16.649923    1.6354361 
+    9000 0.0082153298  0.012310672   -5.3620899   -8.0446091    40.006134    16.845865     8.914544   -2.6948299   0.11785259    16.651566    1.6354969 
+   10000 0.0088368792  0.013242063   -5.3625357   -8.0530825    39.989575    16.835079     8.914577   -2.7037888    0.1174907    16.648402    1.6351306 
+Loop time of 1.80214 on 4 procs for 10000 steps with 1000 atoms
+
+Performance: 479429.980 tau/day, 5548.958 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1353     | 1.1591     | 1.1787     |   1.5 | 64.32
+Neigh   | 0.0028975  | 0.0029137  | 0.0029218  |   0.0 |  0.16
+Comm    | 0.20882    | 0.22752    | 0.25213    |   3.4 | 12.62
+Output  | 0.00058103 | 0.0007953  | 0.0014329  |   0.0 |  0.04
+Modify  | 0.36598    | 0.36908    | 0.37078    |   0.3 | 20.48
+Other   |            | 0.04277    |            |       |  2.37
+
+Nlocal:    250 ave 258 max 239 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Nghost:    829 ave 840 max 821 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Neighs:    5250 ave 5360 max 5090 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+
+Total # of neighbors = 21000
+Ave neighs/atom = 21
+Neighbor list builds = 10
+Dangerous builds = 0
+
+# Start Run #3
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0.0465206 0.06579 0.06579) to (7.02455 9.93421 9.93421)
+  1 by 2 by 2 MPI processor grid
+  restoring pair style lj/cubic from restart
+  1000 atoms
+
+neighbor        0.2 bin
+neigh_modify    every 1 delay 0 check yes
+timestep        0.001
+reset_timestep 0
+
+# Pzz = 40.0, drag/damping term off, Nose-Hoover chains
+
+fix myhug all nphug temp 1.0 1.0 1.0 z 40.0 40.0 70.0
+
+# Specify reference state from paper, times 1000 atoms
+
+fix_modify myhug e0 -6334.0 p0 0.0 v0 680.73519
+
+# Add fix energy to ouput etotal
+
+fix_modify myhug energy yes
+
+# Define output
+
+variable dele  equal f_myhug[1] # energy delta [temperature]
+variable us    equal f_myhug[2] # shock velocity [distance/time]
+variable up    equal f_myhug[3] # particle velocity [distance/time]
+variable pzz   equal pzz  # axial stress
+variable tau equal 0.5*(pzz-0.5*(pxx+pyy)) # shear stress
+variable time equal dt*step
+
+thermo          1000
+thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v_up
+
+fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (Nose-Hoover chain)'
+
+run             10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.74754
+  ghost atom cutoff = 1.74754
+  binsize = 0.873769, bins = 8 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cubic, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.717 | 2.809 | 3.086 Mbytes
+Step Temp KinEng E_pair TotEng Pzz v_tau Lz f_myhug v_dele v_us v_up 
+       0         0.01     0.014985   -6.3344257   -6.3194407  0.014347835 -0.00026463907    9.8684199            0 -0.0048551516    2.3786668 0.0041061135 
+    1000 0.0078345827  0.011740122    -5.501714   -6.3232649    35.616592    14.888101    8.9677603    -0.833291  0.093891974    16.160626    1.5002802 
+    2000  0.019260469  0.028861813   -5.2936047   -6.2784351    41.771445    17.563018     8.895899   -1.0136922   0.11811779    16.853929     1.687161 
+    3000  0.048111305  0.072094791   -5.3454082   -6.2447367    39.061491    16.137184     8.932261  -0.97142325  0.073850675    16.606004    1.6012602 
+    4000   0.11854629   0.17764161   -5.2071426   -6.3210422    40.843054    16.426156    8.9202992   -1.2915412  0.017621345    16.874925    1.6476105 
+    5000   0.13634167     0.204308   -5.2645153   -6.3135608    39.098316    15.628006    8.9407716   -1.2533534 -0.00067532215    16.688495    1.5948471 
+    6000   0.14222646   0.21312635   -5.1774703   -6.3289809    40.888616    16.260775    8.9214855   -1.3646369 -0.0041713956     16.89472    1.6475159 
+    7000   0.12683662   0.19006468   -5.2679846   -6.2838171    39.084233    15.633883     8.939337   -1.2058972 0.0057260888    16.672835    1.5957701 
+    8000   0.14531516   0.21775476   -5.1737923   -6.3237483    40.861161    16.191124    8.9199968   -1.3677107 -0.0065481979    16.876021    1.6482339 
+    9000   0.12123357   0.18166851   -5.2546748   -6.2570254    39.276123    15.677988    8.9363522   -1.1840191 0.0075191856    16.687414    1.6022039 
+   10000   0.14771416   0.22134967   -5.1833988   -6.3104954    40.578265    16.080163    8.9245634   -1.3484463 -0.0098090911    16.857414    1.6386293 
+Loop time of 1.8702 on 4 procs for 10000 steps with 1000 atoms
+
+Performance: 461983.152 tau/day, 5347.027 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.1723     | 1.1812     | 1.1956     |   0.9 | 63.16
+Neigh   | 0.028221   | 0.030409   | 0.035555   |   1.7 |  1.63
+Comm    | 0.22963    | 0.24139    | 0.25155    |   1.6 | 12.91
+Output  | 0.00055218 | 0.00077897 | 0.0014515  |   0.0 |  0.04
+Modify  | 0.37165    | 0.37241    | 0.3732     |   0.1 | 19.91
+Other   |            | 0.04404    |            |       |  2.35
+
+Nlocal:    250 ave 257 max 244 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Nghost:    832.25 ave 840 max 822 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    5144.25 ave 5282 max 4949 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
+
+Total # of neighbors = 20577
+Ave neighs/atom = 20.577
+Neighbor list builds = 95
+Dangerous builds = 0
+
+Total wall time: 0:00:05
diff --git a/examples/indent/log.5Oct16.indent.g++.1 b/examples/indent/log.27Nov18.indent.g++.1
similarity index 82%
rename from examples/indent/log.5Oct16.indent.g++.1
rename to examples/indent/log.27Nov18.indent.g++.1
index 8c718d44b1..746f1322fb 100644
--- a/examples/indent/log.5Oct16.indent.g++.1
+++ b/examples/indent/log.27Nov18.indent.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d indenter simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.000351191 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -57,7 +59,7 @@ fix		5 all enforce2d
 
 thermo		1000
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 250 dump.indent
 
@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		30000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 17 15 1
-Memory usage per processor = 2.4697 Mbytes
+  binsize = 1.4, bins = 17 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          0.2   -3.1727576            0   -3.0018052    -1.436185    444.53333 
     1000   0.11974254   -3.0876892            0   -2.9853378 -0.037059247    440.78771 
@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    28000    0.1183178   -3.0017823            0   -2.9006488    1.3477212    474.08453 
    29000     0.118332   -2.9855957            0     -2.88445    1.4002777    478.49231 
    30000   0.11691453   -2.9721091            0    -2.872175    1.6266108     479.0394 
-Loop time of 2.36919 on 1 procs for 30000 steps with 420 atoms
+Loop time of 2.58797 on 1 procs for 30000 steps with 420 atoms
 
-Performance: 3282134.431 tau/day, 12662.556 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 3004676.853 tau/day, 11592.117 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.7824     | 1.7824     | 1.7824     |   0.0 | 75.23
-Neigh   | 0.073035   | 0.073035   | 0.073035   |   0.0 |  3.08
-Comm    | 0.023414   | 0.023414   | 0.023414   |   0.0 |  0.99
-Output  | 0.00027108 | 0.00027108 | 0.00027108 |   0.0 |  0.01
-Modify  | 0.42744    | 0.42744    | 0.42744    |   0.0 | 18.04
-Other   |            | 0.06268    |            |       |  2.65
+Pair    | 1.7803     | 1.7803     | 1.7803     |   0.0 | 68.79
+Neigh   | 0.074505   | 0.074505   | 0.074505   |   0.0 |  2.88
+Comm    | 0.038266   | 0.038266   | 0.038266   |   0.0 |  1.48
+Output  | 0.00033927 | 0.00033927 | 0.00033927 |   0.0 |  0.01
+Modify  | 0.61562    | 0.61562    | 0.61562    |   0.0 | 23.79
+Other   |            | 0.07897    |            |       |  3.05
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -139,7 +146,7 @@ Dangerous builds = 0
 
 unfix           4
 run		30000
-Memory usage per processor = 2.46978 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
    30000   0.11691453   -2.9721091            0    -2.872175    1.6267079     479.0108 
    31000   0.10925212   -3.0270482            0   -2.9336637  -0.33277278    488.93429 
@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    58000   0.10703451     -3.04105            0    -2.949561   -0.2673909    482.03847 
    59000   0.11041464   -3.0439806            0   -2.9496023  -0.17616699    481.33957 
    60000   0.12014097     -3.05226            0    -2.949568  -0.21176633    481.15213 
-Loop time of 2.11008 on 1 procs for 30000 steps with 420 atoms
+Loop time of 2.20628 on 1 procs for 30000 steps with 420 atoms
 
-Performance: 3685166.663 tau/day, 14217.464 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 3524485.426 tau/day, 13597.552 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.7612     | 1.7612     | 1.7612     |   0.0 | 83.46
-Neigh   | 0.072587   | 0.072587   | 0.072587   |   0.0 |  3.44
-Comm    | 0.023835   | 0.023835   | 0.023835   |   0.0 |  1.13
-Output  | 0.00023365 | 0.00023365 | 0.00023365 |   0.0 |  0.01
-Modify  | 0.19556    | 0.19556    | 0.19556    |   0.0 |  9.27
-Other   |            | 0.05669    |            |       |  2.69
+Pair    | 1.7599     | 1.7599     | 1.7599     |   0.0 | 79.77
+Neigh   | 0.074152   | 0.074152   | 0.074152   |   0.0 |  3.36
+Comm    | 0.037216   | 0.037216   | 0.037216   |   0.0 |  1.69
+Output  | 0.00033259 | 0.00033259 | 0.00033259 |   0.0 |  0.02
+Modify  | 0.25688    | 0.25688    | 0.25688    |   0.0 | 11.64
+Other   |            | 0.07779    |            |       |  3.53
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/indent/log.5Oct16.indent.g++.4 b/examples/indent/log.27Nov18.indent.g++.4
similarity index 82%
rename from examples/indent/log.5Oct16.indent.g++.4
rename to examples/indent/log.27Nov18.indent.g++.4
index 3d96cf6185..1f0556475b 100644
--- a/examples/indent/log.5Oct16.indent.g++.4
+++ b/examples/indent/log.27Nov18.indent.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d indenter simulation
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 420 atoms
+  Time spent = 0.00031352 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -57,7 +59,7 @@ fix		5 all enforce2d
 
 thermo		1000
 thermo_modify	temp new
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 250 dump.indent
 
@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		30000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 17 15 1
-Memory usage per processor = 2.47636 Mbytes
+  binsize = 1.4, bins = 17 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.047 | 3.047 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          0.2   -3.1727576            0   -3.0018052    -1.436185    444.53333 
     1000   0.11573595   -3.0964873            0   -2.9975606  -0.20448672    441.83732 
@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    28000   0.11718062    -2.993818            0   -2.8936565     1.143781    478.94786 
    29000   0.10922042   -2.9873887            0   -2.8940313    1.6184815    473.13968 
    30000   0.11475456   -2.9749758            0    -2.876888    1.8682946    472.49357 
-Loop time of 1.05783 on 4 procs for 30000 steps with 420 atoms
+Loop time of 1.15893 on 4 procs for 30000 steps with 420 atoms
 
-Performance: 7350928.409 tau/day, 28360.063 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 6709635.246 tau/day, 25885.938 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.40826    | 0.46628    | 0.5198     |   6.6 | 44.08
-Neigh   | 0.017807   | 0.019817   | 0.021682   |   1.1 |  1.87
-Comm    | 0.22255    | 0.26884    | 0.31893    |   8.2 | 25.41
-Output  | 0.0005722  | 0.00060749 | 0.00070214 |   0.2 |  0.06
-Modify  | 0.18744    | 0.19364    | 0.20341    |   1.5 | 18.31
-Other   |            | 0.1086     |            |       | 10.27
+Pair    | 0.39848    | 0.4603     | 0.53798    |   8.6 | 39.72
+Neigh   | 0.018286   | 0.020391   | 0.022765   |   1.4 |  1.76
+Comm    | 0.18903    | 0.27493    | 0.34712    |  13.2 | 23.72
+Output  | 0.00055623 | 0.00077116 | 0.0014129  |   0.0 |  0.07
+Modify  | 0.28166    | 0.29302    | 0.30362    |   1.5 | 25.28
+Other   |            | 0.1095     |            |       |  9.45
 
 Nlocal:    105 ave 115 max 90 min
 Histogram: 1 0 0 0 1 0 0 0 0 2
@@ -139,7 +146,7 @@ Dangerous builds = 0
 
 unfix           4
 run		30000
-Memory usage per processor = 2.47641 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.048 | 3.048 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
    30000   0.11475456   -2.9749758            0    -2.876888    1.8675667    472.67773 
    31000   0.11574891   -3.0442299            0   -2.9452921  -0.72600606    489.16618 
@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    58000   0.11858604   -3.0812503            0   -2.9798874  -0.17502776     463.2168 
    59000   0.11344551   -3.0768536            0   -2.9798847  -0.32382437    465.29204 
    60000   0.11637998   -3.0793607            0   -2.9798836  -0.45942931    466.04868 
-Loop time of 0.87344 on 4 procs for 30000 steps with 420 atoms
+Loop time of 0.903556 on 4 procs for 30000 steps with 420 atoms
 
-Performance: 8902734.020 tau/day, 34346.968 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 8605992.311 tau/day, 33202.131 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.38824    | 0.45201    | 0.49914    |   6.9 | 51.75
-Neigh   | 0.0175     | 0.020234   | 0.022472   |   1.5 |  2.32
-Comm    | 0.21322    | 0.26426    | 0.33067    |  10.0 | 30.25
-Output  | 0.00049305 | 0.00051773 | 0.00058699 |   0.2 |  0.06
-Modify  | 0.04793    | 0.053404   | 0.05745    |   1.8 |  6.11
-Other   |            | 0.08302    |            |       |  9.50
+Pair    | 0.3899     | 0.45567    | 0.53041    |   8.7 | 50.43
+Neigh   | 0.017401   | 0.021048   | 0.024747   |   2.1 |  2.33
+Comm    | 0.17915    | 0.26432    | 0.34168    |  13.8 | 29.25
+Output  | 0.00051928 | 0.00093985 | 0.0021935  |   0.0 |  0.10
+Modify  | 0.067609   | 0.075224   | 0.08228    |   2.4 |  8.33
+Other   |            | 0.08635    |            |       |  9.56
 
 Nlocal:    105 ave 112 max 98 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -198,4 +205,4 @@ Total # of neighbors = 3569
 Ave neighs/atom = 8.49762
 Neighbor list builds = 634
 Dangerous builds = 0
-Total wall time: 0:00:01
+Total wall time: 0:00:02
diff --git a/examples/indent/log.5Oct16.indent.min.g++.1 b/examples/indent/log.27Nov18.indent.min.g++.1
similarity index 77%
rename from examples/indent/log.5Oct16.indent.min.g++.1
rename to examples/indent/log.27Nov18.indent.min.g++.1
index e988892da1..ce5b0b1b61 100644
--- a/examples/indent/log.5Oct16.indent.min.g++.1
+++ b/examples/indent/log.27Nov18.indent.min.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d indenter simulation with minimization instead of dynamics
 
 dimension     2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
   1 by 1 by 1 MPI processor grid
 create_atoms  1 box
 Created 420 atoms
+  Time spent = 0.000453234 secs
 
 mass	      * 1.0
 
@@ -57,24 +59,29 @@ thermo	      10
 #dump_modify   3 pad 4
 
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 17 15 1
-Memory usage per processor = 3.5947 Mbytes
+  binsize = 1.4, bins = 17 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0   -3.1727576            0   -3.1727576   -1.5977027    444.53333 
       10            0   -3.1815908            0   -3.1815908   -1.1226904    440.57558 
       20            0   -3.1895471            0   -3.1895471  -0.86027602    436.93033 
       30            0   -3.1908366            0   -3.1908366  -0.72179223    436.93033 
       35            0   -3.1909386            0   -3.1909386  -0.69788745    433.53082 
-Loop time of 0.00874686 on 1 procs for 35 steps with 420 atoms
+Loop time of 0.00889349 on 1 procs for 35 steps with 420 atoms
 
-102.9% CPU use with 1 MPI tasks x no OpenMP threads
+98.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -88,12 +95,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0074182  | 0.0074182  | 0.0074182  |   0.0 | 84.81
-Neigh   | 0.00042582 | 0.00042582 | 0.00042582 |   0.0 |  4.87
-Comm    | 7.2718e-05 | 7.2718e-05 | 7.2718e-05 |   0.0 |  0.83
-Output  | 2.2173e-05 | 2.2173e-05 | 2.2173e-05 |   0.0 |  0.25
-Modify  | 0.00011134 | 0.00011134 | 0.00011134 |   0.0 |  1.27
-Other   |            | 0.0006967  |            |       |  7.96
+Pair    | 0.0073352  | 0.0073352  | 0.0073352  |   0.0 | 82.48
+Neigh   | 0.00039649 | 0.00039649 | 0.00039649 |   0.0 |  4.46
+Comm    | 9.8944e-05 | 9.8944e-05 | 9.8944e-05 |   0.0 |  1.11
+Output  | 2.718e-05  | 2.718e-05  | 2.718e-05  |   0.0 |  0.31
+Modify  | 0.00016856 | 0.00016856 | 0.00016856 |   0.0 |  1.90
+Other   |            | 0.0008671  |            |       |  9.75
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -114,8 +121,8 @@ fix           4 all indent $k sphere 10 13.0 0 6.0
 fix           4 all indent 4414.24643457407 sphere 10 13.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.5947 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
       35            0   -3.1909386            0    -2.174369   -0.6944516    435.67574 
       40            0   -3.1462704            0   -3.1261242  -0.20646557    435.67534 
@@ -127,9 +134,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      100            0   -3.1812307            0   -3.1805381  -0.15305004    434.96379 
      110            0   -3.1812588            0   -3.1805938  -0.12504604    432.50683 
      111            0   -3.1812728            0   -3.1805961  -0.12407116    432.50683 
-Loop time of 0.02054 on 1 procs for 76 steps with 420 atoms
+Loop time of 0.0211506 on 1 procs for 76 steps with 420 atoms
 
-97.4% CPU use with 1 MPI tasks x no OpenMP threads
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -143,12 +150,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.015534   | 0.015534   | 0.015534   |   0.0 | 75.63
-Neigh   | 0.0021462  | 0.0021462  | 0.0021462  |   0.0 | 10.45
-Comm    | 0.00019169 | 0.00019169 | 0.00019169 |   0.0 |  0.93
-Output  | 6.2704e-05 | 6.2704e-05 | 6.2704e-05 |   0.0 |  0.31
-Modify  | 0.00095463 | 0.00095463 | 0.00095463 |   0.0 |  4.65
-Other   |            | 0.001651   |            |       |  8.04
+Pair    | 0.015347   | 0.015347   | 0.015347   |   0.0 | 72.56
+Neigh   | 0.002106   | 0.002106   | 0.002106   |   0.0 |  9.96
+Comm    | 0.00025511 | 0.00025511 | 0.00025511 |   0.0 |  1.21
+Output  | 7.1287e-05 | 7.1287e-05 | 7.1287e-05 |   0.0 |  0.34
+Modify  | 0.0013864  | 0.0013864  | 0.0013864  |   0.0 |  6.55
+Other   |            | 0.001985   |            |       |  9.38
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -166,8 +173,8 @@ fix           4 all indent ${k1} sphere 10 12.5 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 12.5 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.5947 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      111            0   -3.1812728            0  -0.21796953  -0.12362158    434.07977 
      120            0   -2.9592755            0   -2.8003562    1.9418398     434.0832 
@@ -179,9 +186,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      180            0   -3.1041304            0   -3.0969544    1.3751461    430.37017 
      190            0   -3.1043441            0   -3.0970791     1.392095    430.37017 
      193            0   -3.1043345            0   -3.0970891    1.3934777    430.37017 
-Loop time of 0.0210519 on 1 procs for 82 steps with 420 atoms
+Loop time of 0.0218823 on 1 procs for 82 steps with 420 atoms
 
-104.5% CPU use with 1 MPI tasks x no OpenMP threads
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -195,12 +202,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.01655    | 0.01655    | 0.01655    |   0.0 | 78.62
-Neigh   | 0.0016158  | 0.0016158  | 0.0016158  |   0.0 |  7.68
-Comm    | 0.00016141 | 0.00016141 | 0.00016141 |   0.0 |  0.77
-Output  | 5.4359e-05 | 5.4359e-05 | 5.4359e-05 |   0.0 |  0.26
-Modify  | 0.0010245  | 0.0010245  | 0.0010245  |   0.0 |  4.87
-Other   |            | 0.001646   |            |       |  7.82
+Pair    | 0.016445   | 0.016445   | 0.016445   |   0.0 | 75.15
+Neigh   | 0.0015912  | 0.0015912  | 0.0015912  |   0.0 |  7.27
+Comm    | 0.00024986 | 0.00024986 | 0.00024986 |   0.0 |  1.14
+Output  | 7.1526e-05 | 7.1526e-05 | 7.1526e-05 |   0.0 |  0.33
+Modify  | 0.0014741  | 0.0014741  | 0.0014741  |   0.0 |  6.74
+Other   |            | 0.002051   |            |       |  9.37
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -218,8 +225,8 @@ fix           4 all indent ${k1} sphere 10 12.0 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 12.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.5947 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      193            0   -3.1043345            0    2.0111862    1.3910056    431.13503 
      200            0   -2.5918177            0    -1.931934      5.51119    430.91952 
@@ -235,9 +242,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      300            0   -3.1107855            0   -3.1043751    1.0663324    470.76888 
      310            0   -3.1124671            0   -3.1059633    1.0375877    473.02275 
      316            0   -3.1126981            0   -3.1061297    1.0266662    473.02275 
-Loop time of 0.0372601 on 1 procs for 123 steps with 420 atoms
+Loop time of 0.0387044 on 1 procs for 123 steps with 420 atoms
 
-99.3% CPU use with 1 MPI tasks x no OpenMP threads
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -251,12 +258,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.028822   | 0.028822   | 0.028822   |   0.0 | 77.35
-Neigh   | 0.0035007  | 0.0035007  | 0.0035007  |   0.0 |  9.40
-Comm    | 0.00031781 | 0.00031781 | 0.00031781 |   0.0 |  0.85
-Output  | 8.1539e-05 | 8.1539e-05 | 8.1539e-05 |   0.0 |  0.22
-Modify  | 0.0017815  | 0.0017815  | 0.0017815  |   0.0 |  4.78
-Other   |            | 0.002757   |            |       |  7.40
+Pair    | 0.028596   | 0.028596   | 0.028596   |   0.0 | 73.88
+Neigh   | 0.0035679  | 0.0035679  | 0.0035679  |   0.0 |  9.22
+Comm    | 0.00047278 | 0.00047278 | 0.00047278 |   0.0 |  1.22
+Output  | 0.0001111  | 0.0001111  | 0.0001111  |   0.0 |  0.29
+Modify  | 0.0025539  | 0.0025539  | 0.0025539  |   0.0 |  6.60
+Other   |            | 0.003402   |            |       |  8.79
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -274,8 +281,8 @@ fix           4 all indent ${k1} sphere 10 11.4 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 11.4 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.5947 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      316            0   -3.1126981            0    5.3552772    1.0307152    471.16452 
      320            0   -2.7131804            0   0.70918694     3.910187    471.16482 
@@ -294,9 +301,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      450            0   -3.0420658            0   -3.0294992    1.6461313    493.96169 
      460            0   -3.0443144            0   -3.0312966    1.6701433    493.56812 
      465            0   -3.0444584            0   -3.0313908    1.6713796    493.56812 
-Loop time of 0.0447221 on 1 procs for 149 steps with 420 atoms
+Loop time of 0.046638 on 1 procs for 149 steps with 420 atoms
 
-96.1% CPU use with 1 MPI tasks x no OpenMP threads
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -310,12 +317,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.034669   | 0.034669   | 0.034669   |   0.0 | 77.52
-Neigh   | 0.0041096  | 0.0041096  | 0.0041096  |   0.0 |  9.19
-Comm    | 0.00039029 | 0.00039029 | 0.00039029 |   0.0 |  0.87
-Output  | 0.00010586 | 0.00010586 | 0.00010586 |   0.0 |  0.24
-Modify  | 0.0021372  | 0.0021372  | 0.0021372  |   0.0 |  4.78
-Other   |            | 0.00331    |            |       |  7.40
+Pair    | 0.034523   | 0.034523   | 0.034523   |   0.0 | 74.02
+Neigh   | 0.0042307  | 0.0042307  | 0.0042307  |   0.0 |  9.07
+Comm    | 0.00056744 | 0.00056744 | 0.00056744 |   0.0 |  1.22
+Output  | 0.00013828 | 0.00013828 | 0.00013828 |   0.0 |  0.30
+Modify  | 0.0030701  | 0.0030701  | 0.0030701  |   0.0 |  6.58
+Other   |            | 0.004109   |            |       |  8.81
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -333,8 +340,8 @@ fix           4 all indent ${k1} sphere 10 11.2 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 11.2 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.59478 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.168 | 4.168 | 4.168 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      465            0   -3.0444584            0   -2.5580192    1.6715946    493.50462 
      470            0   -2.9426683            0   -2.8814986    2.6421083    493.54443 
@@ -357,9 +364,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      640            0   -3.0778611            0   -3.0710808    1.1946248    520.31492 
      650            0   -3.0781525            0   -3.0715363    1.2031624    520.31492 
      651            0   -3.0781525            0   -3.0715363    1.2031624    520.31492 
-Loop time of 0.055048 on 1 procs for 186 steps with 420 atoms
+Loop time of 0.0571101 on 1 procs for 186 steps with 420 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -373,12 +380,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.042811   | 0.042811   | 0.042811   |   0.0 | 77.77
-Neigh   | 0.0048847  | 0.0048847  | 0.0048847  |   0.0 |  8.87
-Comm    | 0.00049543 | 0.00049543 | 0.00049543 |   0.0 |  0.90
-Output  | 0.00013161 | 0.00013161 | 0.00013161 |   0.0 |  0.24
-Modify  | 0.0026782  | 0.0026782  | 0.0026782  |   0.0 |  4.87
-Other   |            | 0.004047   |            |       |  7.35
+Pair    | 0.042337   | 0.042337   | 0.042337   |   0.0 | 74.13
+Neigh   | 0.0050063  | 0.0050063  | 0.0050063  |   0.0 |  8.77
+Comm    | 0.00071383 | 0.00071383 | 0.00071383 |   0.0 |  1.25
+Output  | 0.00017142 | 0.00017142 | 0.00017142 |   0.0 |  0.30
+Modify  | 0.0038519  | 0.0038519  | 0.0038519  |   0.0 |  6.74
+Other   |            | 0.005029   |            |       |  8.81
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -396,8 +403,8 @@ fix	      4 all indent ${k1} sphere 10 11.0 0 6.0
 fix	      4 all indent 882.849286914813 sphere 10 11.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.59487 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.169 | 4.169 | 4.169 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      651            0   -3.0781525            0   -2.6488207    1.2032064    520.29591 
      660            0   -3.0085949            0   -2.9796645    1.9715308    520.26872 
@@ -415,9 +422,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      780            0    -3.065994            0   -3.0566273     1.931796    521.52157 
      790            0   -3.0675084            0   -3.0577936    1.9283059    520.99202 
      799            0   -3.0677005            0    -3.057959    1.9288603    520.99202 
-Loop time of 0.043978 on 1 procs for 148 steps with 420 atoms
+Loop time of 0.0457094 on 1 procs for 148 steps with 420 atoms
 
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -431,12 +438,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.034369   | 0.034369   | 0.034369   |   0.0 | 78.15
-Neigh   | 0.0036526  | 0.0036526  | 0.0036526  |   0.0 |  8.31
-Comm    | 0.00038934 | 0.00038934 | 0.00038934 |   0.0 |  0.89
-Output  | 9.3699e-05 | 9.3699e-05 | 9.3699e-05 |   0.0 |  0.21
-Modify  | 0.0021935  | 0.0021935  | 0.0021935  |   0.0 |  4.99
-Other   |            | 0.00328    |            |       |  7.46
+Pair    | 0.03413    | 0.03413    | 0.03413    |   0.0 | 74.67
+Neigh   | 0.0037162  | 0.0037162  | 0.0037162  |   0.0 |  8.13
+Comm    | 0.00058603 | 0.00058603 | 0.00058603 |   0.0 |  1.28
+Output  | 0.00012612 | 0.00012612 | 0.00012612 |   0.0 |  0.28
+Modify  | 0.0031106  | 0.0031106  | 0.0031106  |   0.0 |  6.81
+Other   |            | 0.00404    |            |       |  8.84
 
 Nlocal:    420 ave 420 max 420 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/indent/log.5Oct16.indent.min.g++.4 b/examples/indent/log.27Nov18.indent.min.g++.4
similarity index 76%
rename from examples/indent/log.5Oct16.indent.min.g++.4
rename to examples/indent/log.27Nov18.indent.min.g++.4
index 4ea1a37d25..b0dca95501 100644
--- a/examples/indent/log.5Oct16.indent.min.g++.4
+++ b/examples/indent/log.27Nov18.indent.min.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d indenter simulation with minimization instead of dynamics
 
 dimension     2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
   2 by 2 by 1 MPI processor grid
 create_atoms  1 box
 Created 420 atoms
+  Time spent = 0.000312805 secs
 
 mass	      * 1.0
 
@@ -57,24 +59,29 @@ thermo	      10
 #dump_modify   3 pad 4
 
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 17 15 1
-Memory usage per processor = 3.60136 Mbytes
+  binsize = 1.4, bins = 17 15 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.172 | 4.172 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0   -3.1727576            0   -3.1727576   -1.5977027    444.53333 
       10            0   -3.1815908            0   -3.1815908   -1.1226904    440.57558 
       20            0   -3.1895471            0   -3.1895471  -0.86027602    436.93033 
       30            0   -3.1908366            0   -3.1908366  -0.72179223    436.93033 
       35            0   -3.1909386            0   -3.1909386  -0.69788745    433.53082 
-Loop time of 0.00329685 on 4 procs for 35 steps with 420 atoms
+Loop time of 0.00425965 on 4 procs for 35 steps with 420 atoms
 
-75.8% CPU use with 4 MPI tasks x no OpenMP threads
+91.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -88,12 +95,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0018942  | 0.0019329  | 0.0019758  |   0.1 | 58.63
-Neigh   | 0.00011587 | 0.000121   | 0.00012612 |   0.0 |  3.67
-Comm    | 0.00034523 | 0.00040966 | 0.00046587 |   0.3 | 12.43
-Output  | 4.3869e-05 | 4.667e-05  | 5.2929e-05 |   0.1 |  1.42
-Modify  | 2.4796e-05 | 3.7432e-05 | 5.0306e-05 |   0.2 |  1.14
-Other   |            | 0.0007492  |            |       | 22.73
+Pair    | 0.0018404  | 0.0020409  | 0.002239   |   0.3 | 47.91
+Neigh   | 0.00011182 | 0.00011867 | 0.00012565 |   0.0 |  2.79
+Comm    | 0.00071144 | 0.0010059  | 0.0013125  |   0.7 | 23.62
+Output  | 4.1723e-05 | 4.4882e-05 | 5.1022e-05 |   0.0 |  1.05
+Modify  | 4.7445e-05 | 5.6326e-05 | 6.4611e-05 |   0.0 |  1.32
+Other   |            | 0.0009929  |            |       | 23.31
 
 Nlocal:    105 ave 111 max 99 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
@@ -114,8 +121,8 @@ fix           4 all indent $k sphere 10 13.0 0 6.0
 fix           4 all indent 4414.24643457407 sphere 10 13.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60136 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.172 | 4.172 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
       35            0   -3.1909386            0    -2.174369   -0.6944516    435.67574 
       40            0   -3.1462704            0   -3.1261242  -0.20646557    435.67534 
@@ -127,9 +134,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      100            0   -3.1812307            0   -3.1805381  -0.15305002    434.96379 
      110            0   -3.1812588            0   -3.1805938  -0.12504601    432.50683 
      111            0   -3.1812728            0   -3.1805961  -0.12407115    432.50683 
-Loop time of 0.00908947 on 4 procs for 76 steps with 420 atoms
+Loop time of 0.009408 on 4 procs for 76 steps with 420 atoms
 
-96.2% CPU use with 4 MPI tasks x no OpenMP threads
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -143,12 +150,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0037253  | 0.0040306  | 0.0043435  |   0.5 | 44.34
-Neigh   | 0.00058532 | 0.00061685 | 0.00064421 |   0.1 |  6.79
-Comm    | 0.0012383  | 0.0015994  | 0.0019143  |   0.8 | 17.60
-Output  | 0.00012493 | 0.0001325  | 0.00015235 |   0.1 |  1.46
-Modify  | 0.00026274 | 0.00028539 | 0.00030255 |   0.1 |  3.14
-Other   |            | 0.002425   |            |       | 26.68
+Pair    | 0.0035956  | 0.0040194  | 0.0043173  |   0.5 | 42.72
+Neigh   | 0.00058937 | 0.00061256 | 0.00065064 |   0.0 |  6.51
+Comm    | 0.0012782  | 0.0017276  | 0.0023015  |   1.0 | 18.36
+Output  | 0.00012088 | 0.00013882 | 0.00018907 |   0.0 |  1.48
+Modify  | 0.00037575 | 0.00040001 | 0.00041938 |   0.0 |  4.25
+Other   |            | 0.00251    |            |       | 26.68
 
 Nlocal:    105 ave 111 max 99 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
@@ -166,8 +173,8 @@ fix           4 all indent ${k1} sphere 10 12.5 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 12.5 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60136 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.172 | 4.172 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      111            0   -3.1812728            0  -0.21796955  -0.12362156    434.07977 
      120            0   -2.9592755            0   -2.8003562    1.9418398     434.0832 
@@ -179,9 +186,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      180            0   -3.1041304            0   -3.0969544    1.3751455    430.37021 
      190            0   -3.1043441            0   -3.0970791    1.3920926    430.37021 
      193            0   -3.1043346            0   -3.0970891    1.3934753    430.37021 
-Loop time of 0.00948715 on 4 procs for 82 steps with 420 atoms
+Loop time of 0.00970888 on 4 procs for 82 steps with 420 atoms
 
-100.1% CPU use with 4 MPI tasks x no OpenMP threads
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -195,12 +202,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0037739  | 0.0042151  | 0.0046482  |   0.6 | 44.43
-Neigh   | 0.00041008 | 0.0004425  | 0.00048161 |   0.1 |  4.66
-Comm    | 0.0013449  | 0.0018466  | 0.0023468  |   1.1 | 19.46
-Output  | 0.00012422 | 0.00013196 | 0.00015044 |   0.1 |  1.39
-Modify  | 0.00026131 | 0.00028855 | 0.00030518 |   0.1 |  3.04
-Other   |            | 0.002563   |            |       | 27.01
+Pair    | 0.0038064  | 0.0043663  | 0.0049345  |   0.7 | 44.97
+Neigh   | 0.00041938 | 0.00044787 | 0.00046825 |   0.0 |  4.61
+Comm    | 0.0012298  | 0.0018778  | 0.0025084  |   1.2 | 19.34
+Output  | 0.00010872 | 0.00013095 | 0.00019455 |   0.0 |  1.35
+Modify  | 0.0003829  | 0.00042218 | 0.00045204 |   0.0 |  4.35
+Other   |            | 0.002464   |            |       | 25.38
 
 Nlocal:    105 ave 112 max 98 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -218,8 +225,8 @@ fix           4 all indent ${k1} sphere 10 12.0 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 12.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60136 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.172 | 4.172 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      193            0   -3.1043346            0    2.0111873    1.3910032    431.13505 
      200            0   -2.5918062            0     -1.93191     5.511262    430.91953 
@@ -235,9 +242,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      300            0   -3.1109522            0   -3.1046995     1.064904    470.50807 
      310            0   -3.1123989            0    -3.105985    1.0430839    470.40952 
      313            0   -3.1125022            0   -3.1060453    1.0390872    470.40952 
-Loop time of 0.016437 on 4 procs for 120 steps with 420 atoms
+Loop time of 0.0169249 on 4 procs for 120 steps with 420 atoms
 
-95.8% CPU use with 4 MPI tasks x no OpenMP threads
+95.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -251,12 +258,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0060949  | 0.0071945  | 0.008219   |   1.2 | 43.77
-Neigh   | 0.00081253 | 0.00092614 | 0.0010352  |   0.3 |  5.63
-Comm    | 0.0022275  | 0.0035025  | 0.0047491  |   2.1 | 21.31
-Output  | 0.00018907 | 0.00019854 | 0.00022316 |   0.1 |  1.21
-Modify  | 0.00045967 | 0.00049853 | 0.0005331  |   0.1 |  3.03
-Other   |            | 0.004117   |            |       | 25.05
+Pair    | 0.0061595  | 0.0073055  | 0.0083787  |   1.2 | 43.16
+Neigh   | 0.00085759 | 0.00095439 | 0.0010619  |   0.0 |  5.64
+Comm    | 0.0020378  | 0.0032984  | 0.0046635  |   2.1 | 19.49
+Output  | 0.00016832 | 0.00020832 | 0.00032616 |   0.0 |  1.23
+Modify  | 0.0006628  | 0.00078654 | 0.00090957 |   0.0 |  4.65
+Other   |            | 0.004372   |            |       | 25.83
 
 Nlocal:    105 ave 123 max 90 min
 Histogram: 2 0 0 0 0 0 0 0 1 1
@@ -274,8 +281,8 @@ fix           4 all indent ${k1} sphere 10 11.4 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 11.4 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60136 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.172 | 4.173 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      313            0   -3.1125022            0    5.3341053    1.0377311    471.02427 
      320            0    -2.402824            0  -0.86170235    6.1550233    471.02943 
@@ -289,9 +296,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      400            0   -3.0098108            0   -2.9963408    2.0798685    490.87751 
      410            0   -3.0142937            0   -3.0017605    2.0015139    491.52711 
      417            0   -3.0148998            0   -3.0024932    1.9909706    492.48053 
-Loop time of 0.0132418 on 4 procs for 104 steps with 420 atoms
+Loop time of 0.0135124 on 4 procs for 104 steps with 420 atoms
 
-94.4% CPU use with 4 MPI tasks x no OpenMP threads
+90.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -305,12 +312,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0043645  | 0.0054896  | 0.0065427  |   1.4 | 41.46
-Neigh   | 0.00071716 | 0.00088716 | 0.0010509  |   0.5 |  6.70
-Comm    | 0.0017078  | 0.0030243  | 0.0044179  |   2.3 | 22.84
-Output  | 0.00015879 | 0.00016719 | 0.00018978 |   0.1 |  1.26
-Modify  | 0.00033998 | 0.00038028 | 0.00042176 |   0.2 |  2.87
-Other   |            | 0.003293   |            |       | 24.87
+Pair    | 0.0043001  | 0.0056325  | 0.0068884  |   1.5 | 41.68
+Neigh   | 0.0007472  | 0.00091684 | 0.0010941  |   0.0 |  6.79
+Comm    | 0.0015268  | 0.0030602  | 0.0046747  |   2.4 | 22.65
+Output  | 0.00014591 | 0.00017387 | 0.00025606 |   0.0 |  1.29
+Modify  | 0.00047064 | 0.00054699 | 0.00062537 |   0.0 |  4.05
+Other   |            | 0.003182   |            |       | 23.55
 
 Nlocal:    105 ave 121 max 89 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
@@ -328,8 +335,8 @@ fix           4 all indent ${k1} sphere 10 11.2 0 6.0
 fix           4 all indent 882.849286914813 sphere 10 11.2 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60141 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.173 | 4.173 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      417            0   -3.0148998            0   -2.4816986    1.9918498    492.26314 
      420            0   -2.9209943            0   -2.7871779    2.8201475    492.26417 
@@ -352,9 +359,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      590            0    -3.114722            0   -3.1095528   0.90665975    515.99746 
      600            0   -3.1149189            0   -3.1096744   0.88783587    515.99746 
      605            0   -3.1149612            0   -3.1097106   0.88187936    515.99746 
-Loop time of 0.0257494 on 4 procs for 188 steps with 420 atoms
+Loop time of 0.0262601 on 4 procs for 188 steps with 420 atoms
 
-98.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -368,12 +375,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0080748  | 0.010793   | 0.013608   |   2.6 | 41.91
-Neigh   | 0.000983   | 0.0012598  | 0.0015397  |   0.8 |  4.89
-Comm    | 0.003365   | 0.0064785  | 0.0095432  |   3.8 | 25.16
-Output  | 0.0002985  | 0.00031477 | 0.00035667 |   0.1 |  1.22
-Modify  | 0.00062346 | 0.0007531  | 0.00086522 |   0.4 |  2.92
-Other   |            | 0.00615    |            |       | 23.89
+Pair    | 0.0080013  | 0.010975   | 0.013789   |   2.6 | 41.79
+Neigh   | 0.001025   | 0.001315   | 0.0016329  |   0.8 |  5.01
+Comm    | 0.0033126  | 0.0065627  | 0.010028   |   3.9 | 24.99
+Output  | 0.00025845 | 0.00032175 | 0.00050783 |   0.0 |  1.23
+Modify  | 0.00088954 | 0.0010915  | 0.0012805  |   0.6 |  4.16
+Other   |            | 0.005994   |            |       | 22.83
 
 Nlocal:    105 ave 125 max 84 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
@@ -391,8 +398,8 @@ fix	      4 all indent ${k1} sphere 10 11.0 0 6.0
 fix	      4 all indent 882.849286914813 sphere 10 11.0 0 6.0
 fix_modify    4 energy yes
 minimize      1.0e-6 1.0e-6 1000 1000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
-Memory usage per processor = 3.60141 Mbytes
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
+Per MPI rank memory allocation (min/avg/max) = 4.172 | 4.173 | 4.173 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
      605            0   -3.1149612            0   -2.7562264   0.88153856    516.19694 
      610            0   -3.0480145            0   -3.0046036    1.5377628    516.18952 
@@ -408,9 +415,9 @@ Step Temp E_pair E_mol TotEng Press Volume
      710            0   -3.0738836            0   -3.0635305    1.6674853    516.40455 
      720            0   -3.0744809            0   -3.0640016    1.6430059    516.40455 
      729            0    -3.074692            0   -3.0641622    1.6351234    517.12194 
-Loop time of 0.017405 on 4 procs for 124 steps with 420 atoms
+Loop time of 0.0187363 on 4 procs for 124 steps with 420 atoms
 
-97.7% CPU use with 4 MPI tasks x no OpenMP threads
+94.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = linesearch alpha is zero
@@ -424,12 +431,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0049167  | 0.0073144  | 0.0095913  |   2.7 | 42.02
-Neigh   | 0.00037408 | 0.00051659 | 0.00065827 |   0.6 |  2.97
-Comm    | 0.0021894  | 0.0047411  | 0.0072858  |   3.6 | 27.24
-Output  | 0.00018907 | 0.0001967  | 0.00021863 |   0.1 |  1.13
-Modify  | 0.00040865 | 0.00051677 | 0.00060606 |   0.4 |  2.97
-Other   |            | 0.004119   |            |       | 23.67
+Pair    | 0.0051301  | 0.0074221  | 0.0098505  |   2.6 | 39.61
+Neigh   | 0.00038052 | 0.00054228 | 0.00068402 |   0.0 |  2.89
+Comm    | 0.0018504  | 0.004572   | 0.007129   |   3.8 | 24.40
+Output  | 0.00017834 | 0.00021213 | 0.00030828 |   0.0 |  1.13
+Modify  | 0.00057554 | 0.00075471 | 0.00091839 |   0.0 |  4.03
+Other   |            | 0.005233   |            |       | 27.93
 
 Nlocal:    105 ave 131 max 78 min
 Histogram: 2 0 0 0 0 0 0 0 0 2

From c42776e4e1d596d9fa4121e76fb343b4f774c9df Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 21:22:46 -0500
Subject: [PATCH 220/273] ignore valgrind core dumps

---
 .gitignore | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.gitignore b/.gitignore
index 1ce415678e..f9dda49da6 100644
--- a/.gitignore
+++ b/.gitignore
@@ -22,6 +22,7 @@ log.cite
 .*.swp
 *.orig
 *.rej
+vgcore.*
 .vagrant
 \#*#
 .#*

From cb2964af4cae6229f21201e523a9e473c0082ef6 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 22:20:42 -0500
Subject: [PATCH 221/273] silence compiler warning about unused parameter

---
 src/USER-H5MD/dump_h5md.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/USER-H5MD/dump_h5md.cpp b/src/USER-H5MD/dump_h5md.cpp
index 393871ae0b..af77258780 100644
--- a/src/USER-H5MD/dump_h5md.cpp
+++ b/src/USER-H5MD/dump_h5md.cpp
@@ -346,7 +346,7 @@ void DumpH5MD::openfile()
 
 /* ---------------------------------------------------------------------- */
 
-void DumpH5MD::write_header(bigint nbig)
+void DumpH5MD::write_header(bigint /* nbig */)
 {
   return;
 }

From 78f86d5f16c82ffbf5b877bf89093bc18699b146 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 22:23:09 -0500
Subject: [PATCH 222/273] silence compiler warning about singed vs. unsigned

---
 src/universe.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/universe.cpp b/src/universe.cpp
index 410d12dcb3..f078590103 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -174,9 +174,9 @@ void Universe::add_world(char *str)
 
     // str may not be empty and may only consist of digits or 'x'
 
-    int len = strlen(str);
+    size_t len = strlen(str);
     if (len < 1) valid = false;
-    for (int i=0; i < len; ++i)
+    for (size_t i=0; i < len; ++i)
       if (isdigit(str[i]) || str[i] == 'x') continue;
       else valid = false;
 

From 6be4ce7137399f8d29b17a9e508f0f9384910a01 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Nov 2018 23:14:45 -0500
Subject: [PATCH 223/273] found a new false positive word in docs with
 spellchecker

---
 doc/utils/sphinx-config/false_positives.txt | 1 +
 1 file changed, 1 insertion(+)

diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index 538ee2b8e3..de60206304 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -904,6 +904,7 @@ gcc
 gcmc
 gdot
 GeC
+gencode
 georg
 Georg
 Germann

From 09abc0c75a14e7b5ee99173f31b717e452e056f9 Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Thu, 29 Nov 2018 00:41:40 -0500
Subject: [PATCH 224/273] Fix memory leak in Variable::compute_atom

---
 src/variable.cpp | 1 +
 src/variable.h   | 7 +++++++
 2 files changed, 8 insertions(+)

diff --git a/src/variable.cpp b/src/variable.cpp
index f83d3ebc20..9c837719f2 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -971,6 +971,7 @@ void Variable::compute_atom(int ivar, int igroup,
   } else vstore = reader[ivar]->fixstore->vstore;
 
   if (result == NULL) {
+    if (style[ivar] == ATOM) free_tree(tree);
     eval_in_progress[ivar] = 0;
     return;
   }
diff --git a/src/variable.h b/src/variable.h
index b20eb7e6b9..9a6aa4c0b4 100644
--- a/src/variable.h
+++ b/src/variable.h
@@ -92,6 +92,13 @@ class Variable : protected Pointers {
     int nextra;            // # of additional args beyond first 2
     Tree *first,*second;   // ptrs further down tree for first 2 args
     Tree **extra;          // ptrs further down tree for nextra args
+
+    Tree() :
+      array(NULL), iarray(NULL), barray(NULL),
+      selfalloc(0), nextra(0),
+      first(NULL), second(NULL), extra(NULL)
+    {
+    }
   };
 
   int compute_python(int);

From ea6d8a5dca9eab25fca041d63d0a67cf941ca8e3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 01:38:04 -0500
Subject: [PATCH 225/273] replace hard crash with disabling atom sorting, when
 no suitable binsize is found

---
 src/atom.cpp | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/src/atom.cpp b/src/atom.cpp
index 95f5406d95..72bdc8a0e7 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -1884,11 +1884,19 @@ void Atom::setup_sort_bins()
   // user setting if explicitly set
   // default = 1/2 of neighbor cutoff
   // check if neighbor cutoff = 0.0
+  // and in that case, disable sorting
 
   double binsize;
   if (userbinsize > 0.0) binsize = userbinsize;
-  else binsize = 0.5 * neighbor->cutneighmax;
-  if (binsize == 0.0) error->all(FLERR,"Atom sorting has bin size = 0.0");
+  else if (neighbor->cutneighmax > 0.0) binsize = 0.5 * neighbor->cutneighmax;
+
+  if ((binsize == 0.0) && (sortfreq > 0)) {
+    sortfreq = 0;
+    if (comm->me == 0)
+          error->warning(FLERR,"No pairwise cutoff or binsize set. "
+                         "Atom sorting therefore disabled.");
+    return;
+  }
 
   double bininv = 1.0/binsize;
 

From e3ddefb38bb255e2c874ce52358a0d0bec8eda48 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 02:03:56 -0500
Subject: [PATCH 226/273] update docs and header for removed error message

---
 doc/src/Errors_messages.txt | 6 ------
 doc/src/atom_modify.txt     | 3 ++-
 src/atom.h                  | 6 ------
 3 files changed, 2 insertions(+), 13 deletions(-)

diff --git a/doc/src/Errors_messages.txt b/doc/src/Errors_messages.txt
index de6d974dde..d9a9f15ba0 100644
--- a/doc/src/Errors_messages.txt
+++ b/doc/src/Errors_messages.txt
@@ -279,12 +279,6 @@ multibody joint).  The bodies you have defined exceed this limit. :dd
 This is an internal LAMMPS error.  Please report it to the
 developers. :dd
 
-{Atom sorting has bin size = 0.0} :dt
-
-The neighbor cutoff is being used as the bin size, but it is zero.
-Thus you must explicitly list a bin size in the atom_modify sort
-command or turn off sorting. :dd
-
 {Atom style hybrid cannot have hybrid as an argument} :dt
 
 Self-explanatory. :dd
diff --git a/doc/src/atom_modify.txt b/doc/src/atom_modify.txt
index 0f0b241b76..d598b4697c 100644
--- a/doc/src/atom_modify.txt
+++ b/doc/src/atom_modify.txt
@@ -166,7 +166,8 @@ info), a map is used.  The default map style is array if no atom ID is
 larger than 1 million, otherwise the default is hash.  By default, a
 "first" group is not defined.  By default, sorting is enabled with a
 frequency of 1000 and a binsize of 0.0, which means the neighbor
-cutoff will be used to set the bin size.
+cutoff will be used to set the bin size. If no neighbor cutoff is
+defined, sorting will be turned off.
 
 :line
 
diff --git a/src/atom.h b/src/atom.h
index 7e003dff5e..324ad0f2d2 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -496,12 +496,6 @@ E: Atom sort did not operate correctly
 This is an internal LAMMPS error.  Please report it to the
 developers.
 
-E: Atom sorting has bin size = 0.0
-
-The neighbor cutoff is being used as the bin size, but it is zero.
-Thus you must explicitly list a bin size in the atom_modify sort
-command or turn off sorting.
-
 E: Too many atom sorting bins
 
 This is likely due to an immense simulation box that has blown up

From 41e24f6e8be8395cda7e976a0ce991329117e08d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 12:35:07 -0500
Subject: [PATCH 227/273] update log files for gcmc example

---
 ...c.co2.g++.1 => log.27Nov18.gcmc.co2.g++.1} |  86 +++----
 ...c.h2o.g++.1 => log.27Nov18.gcmc.h2o.g++.1} | 168 ++++++-------
 ...cmc.lj.g++.1 => log.27Nov18.gcmc.lj.g++.1} |  22 +-
 ...cmc.lj.g++.4 => log.27Nov18.gcmc.lj.g++.4} |  22 +-
 examples/gcmc/log.30Mar18.gcmc.co2.g++.4      | 131 ----------
 examples/gcmc/log.30Mar18.gcmc.h2o.g++.4      | 237 ------------------
 6 files changed, 149 insertions(+), 517 deletions(-)
 rename examples/gcmc/{log.30Mar18.gcmc.co2.g++.1 => log.27Nov18.gcmc.co2.g++.1} (60%)
 rename examples/gcmc/{log.30Mar18.gcmc.h2o.g++.1 => log.27Nov18.gcmc.h2o.g++.1} (54%)
 rename examples/gcmc/{log.30Mar18.gcmc.lj.g++.1 => log.27Nov18.gcmc.lj.g++.1} (90%)
 rename examples/gcmc/{log.30Mar18.gcmc.lj.g++.4 => log.27Nov18.gcmc.lj.g++.4} (90%)
 delete mode 100644 examples/gcmc/log.30Mar18.gcmc.co2.g++.4
 delete mode 100644 examples/gcmc/log.30Mar18.gcmc.h2o.g++.4

diff --git a/examples/gcmc/log.30Mar18.gcmc.co2.g++.1 b/examples/gcmc/log.27Nov18.gcmc.co2.g++.1
similarity index 60%
rename from examples/gcmc/log.30Mar18.gcmc.co2.g++.1
rename to examples/gcmc/log.27Nov18.gcmc.co2.g++.1
index 46afe5ea2a..4ed9056d04 100644
--- a/examples/gcmc/log.30Mar18.gcmc.co2.g++.1
+++ b/examples/gcmc/log.27Nov18.gcmc.co2.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (30 Mar 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # GCMC for CO2 molecular fluid, rigid/small/nvt dynamics
 # Rigid CO2 TraPPE model
@@ -46,7 +46,7 @@ Read molecule co2mol:
   0 impropers with max type 0
 create_atoms   	0 box mol co2mol 464563 units box
 Created 24 atoms
-  Time spent = 0.00241756 secs
+  Time spent = 0.00134993 secs
 
 # rigid CO2 TraPPE model
 
@@ -118,16 +118,16 @@ thermo          1000
 
 run             20000
 Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.164636
   estimated absolute RMS force accuracy = 0.0332064
   estimated relative force accuracy = 0.0001
   KSpace vectors: actual max1d max3d = 16 2 62
                   kxmax kymax kzmax  = 2 2 2
-WARNING: Fix gcmc using full_energy option (../fix_gcmc.cpp:485)
+WARNING: Fix gcmc using full_energy option (src/MC/fix_gcmc.cpp:487)
 0 atoms in group FixGCMC:gcmc_exclusion_group:mygcmc
 0 atoms in group FixGCMC:rotation_gas_atoms:mygcmc
-WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (../neighbor.cpp:472)
+WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (src/neighbor.cpp:471)
 Neighbor list info ...
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -143,54 +143,54 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 15.62 | 15.62 | 15.62 Mbytes
 Step Temp Press PotEng KinEng Density Atoms v_iacc v_dacc v_tacc v_racc v_nC v_nO 
        0    364.27579    4238.8631   -9.6809388    13.391989    0.5846359       24            0            0            0            0            8           16 
-    1000    330.05964    -376.0111   -13.936335    13.773831   0.65771539       27   0.21142067   0.21453147            0            0            9           18 
-    2000    293.79769    -321.3209   -19.049256    13.720163   0.73079488       30   0.25170944   0.25426294            0            0           10           20 
-    3000     348.9085    259.04079  -0.23347965    2.4267366   0.14615898        6   0.22016906   0.23200597            0            0            2            4 
-    4000    360.54577   -329.12072   -16.584234    15.046059   0.65771539       27   0.19173099   0.19785362            0            0            9           18 
-    5000    275.58628   -58.283006   -12.520856    11.500585   0.65771539       27   0.16490585   0.17329884            0            0            9           18 
-    6000    338.59574    364.93514   -19.866569    17.494353   0.80387436       33   0.17971759   0.18331589            0            0           11           22 
-    7000    286.11586   -1252.5069   -19.588667    13.361427   0.73079488       30   0.15729895   0.16220459            0            0           10           20 
-    8000    454.86786   -642.89382   -20.818357    21.242037   0.73079488       30   0.15500235   0.15802382            0            0           10           20 
-    9000    326.36695   -364.71382   -31.376162     18.48392   0.87695385       36   0.14203985   0.14510714            0            0           12           24 
-   10000    348.46961   -387.75245   -21.068466     18.00451   0.80387436       33   0.14000907   0.14343389            0            0           11           22 
-   11000    409.74257   -15.843895   -20.648252    21.170323   0.80387436       33   0.14689306   0.15117074            0            0           11           22 
-   12000    523.93502    1003.0729   -6.0563102    14.055757   0.43847693       18   0.15337575    0.1580166            0            0            6           12 
-   13000    278.14441    -717.1097   -2.3488496    4.6982087   0.29231795       12   0.15952356   0.16422306            0            0            4            8 
-   14000    367.89375    1239.0841   -11.203323    13.524997    0.5846359       24   0.17002439   0.17460294            0            0            8           16 
-   15000    197.05319   -471.14343   -9.3890758    6.2653668   0.51155641       21   0.17702612   0.18155802            0            0            7           14 
-   16000    138.17147   -935.93437   -2.3846783    2.3338898   0.29231795       12   0.17884346   0.18268758            0            0            4            8 
-   17000    245.61833    -166.1694   -5.0970057    5.3690384   0.36539744       15   0.18909252   0.19317817            0            0            5           10 
-   18000     232.0142     -175.732   -14.320198    9.6822635   0.65771539       27   0.18977089   0.19280537            0            0            9           18 
-   19000    362.01189    864.87258   -6.4515321    9.7117982   0.43847693       18   0.19207244   0.19488984            0            0            6           12 
-   20000    441.19548    186.19779   -18.147268    20.603546   0.73079488       30   0.19713351     0.199073            0            0           10           20 
-Loop time of 16.4949 on 1 procs for 20000 steps with 30 atoms
+    1000     267.9799   -73.919548   -3.6735999    5.8578459   0.36539744       15   0.23663972    0.2494423            0            0            5           10 
+    2000    409.06596   -98.033864   -6.7570039    10.974131   0.43847693       18   0.29379544   0.29816284            0            0            6           12 
+    3000     279.3225   -836.47758   -26.434976    15.819539   0.87695385       36   0.23798567   0.24203908            0            0           12           24 
+    4000     333.6181    606.63478    -30.35312    18.894592   0.87695385       36   0.19121778   0.19481508            0            0           12           24 
+    5000    405.98741   -103.97582   -14.180277    16.942399   0.65771539       27   0.15272841   0.15982952            0            0            9           18 
+    6000     283.5835   -240.01076   -6.7198093     7.607777   0.43847693       18    0.1606796   0.16536735            0            0            6           12 
+    7000    142.00717    154.95914  -0.74192319   0.98769159   0.14615898        6   0.19501993   0.20103405            0            0            2            4 
+    8000    376.67702   -118.12474   -10.774631    13.847899    0.5846359       24   0.20133396   0.20468352            0            0            8           16 
+    9000    305.43166   -1095.8633   -10.388279    9.7112935   0.51155641       21   0.19445239   0.19869334            0            0            7           14 
+   10000    244.08225   -179.31274   -12.974988    8.9732748    0.5846359       24   0.19098971   0.19586397            0            0            8           16 
+   11000    305.03389   -568.94714   -21.745425    14.244887   0.73079488       30   0.18517522   0.18978828            0            0           10           20 
+   12000    318.29735    767.76579   -37.184231    21.189508    1.0231128       42   0.17256426   0.17580267            0            0           14           28 
+   13000    411.21707    433.01125   -4.5149215    8.9889065   0.36539744       15   0.16329385   0.16767604            0            0            5           10 
+   14000    304.29535    148.28607   -2.3505844    6.6516754   0.36539744       15   0.17435868   0.17897674            0            0            5           10 
+   15000    338.00555    2384.1424   -21.438264    17.463859   0.80387436       33   0.17237066   0.17634112            0            0           11           22 
+   16000    613.56062    610.93867 -0.057364228    1.2192718  0.073079488        3   0.17128158    0.1758886            0            0            1            2 
+   17000    432.63323   -980.52384    -15.79844    18.054365   0.65771539       27   0.17145651   0.17504846            0            0            9           18 
+   18000    181.74572   -352.81765   -1.8617959    2.1669979   0.21923846        9   0.17292463   0.17654774            0            0            3            6 
+   19000    208.55292   -248.38735   -4.2287767    4.5588154   0.36539744       15   0.18168324   0.18454331            0            0            5           10 
+   20000    304.73317    -649.9896   -16.532405    12.716924   0.65771539       27   0.18085983   0.18345574            0            0            9           18 
+Loop time of 21.0434 on 1 procs for 20000 steps with 27 atoms
 
-Performance: 104.760 ns/day, 0.229 hours/ns, 1212.498 timesteps/s
-99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 82.116 ns/day, 0.292 hours/ns, 950.415 timesteps/s
+98.5% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.8955     | 1.8955     | 1.8955     |   0.0 | 11.49
-Bond    | 0.026564   | 0.026564   | 0.026564   |   0.0 |  0.16
-Kspace  | 0.21215    | 0.21215    | 0.21215    |   0.0 |  1.29
-Neigh   | 0.088336   | 0.088336   | 0.088336   |   0.0 |  0.54
-Comm    | 0.19828    | 0.19828    | 0.19828    |   0.0 |  1.20
-Output  | 0.001025   | 0.001025   | 0.001025   |   0.0 |  0.01
-Modify  | 14.024     | 14.024     | 14.024     |   0.0 | 85.02
-Other   |            | 0.0491     |            |       |  0.30
+Pair    | 2.2373     | 2.2373     | 2.2373     |   0.0 | 10.63
+Bond    | 0.022895   | 0.022895   | 0.022895   |   0.0 |  0.11
+Kspace  | 0.16756    | 0.16756    | 0.16756    |   0.0 |  0.80
+Neigh   | 0.11436    | 0.11436    | 0.11436    |   0.0 |  0.54
+Comm    | 0.26988    | 0.26988    | 0.26988    |   0.0 |  1.28
+Output  | 0.0014684  | 0.0014684  | 0.0014684  |   0.0 |  0.01
+Modify  | 18.193     | 18.193     | 18.193     |   0.0 | 86.45
+Other   |            | 0.03692    |            |       |  0.18
 
-Nlocal:    30 ave 30 max 30 min
+Nlocal:    27 ave 27 max 27 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    2094 ave 2094 max 2094 min
+Nghost:    2081 ave 2081 max 2081 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    7664 ave 7664 max 7664 min
+Neighs:    6264 ave 6264 max 6264 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 7664
-Ave neighs/atom = 255.467
+Total # of neighbors = 6264
+Ave neighs/atom = 232
 Ave special neighs/atom = 2
-Neighbor list builds = 20076
+Neighbor list builds = 20177
 Dangerous builds = 0
 
-Total wall time: 0:00:16
+Total wall time: 0:00:21
diff --git a/examples/gcmc/log.30Mar18.gcmc.h2o.g++.1 b/examples/gcmc/log.27Nov18.gcmc.h2o.g++.1
similarity index 54%
rename from examples/gcmc/log.30Mar18.gcmc.h2o.g++.1
rename to examples/gcmc/log.27Nov18.gcmc.h2o.g++.1
index 2f11cb116e..86b8fa7b45 100644
--- a/examples/gcmc/log.30Mar18.gcmc.h2o.g++.1
+++ b/examples/gcmc/log.27Nov18.gcmc.h2o.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (30 Mar 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # fix gcmc example with fix shake
 
@@ -43,7 +43,7 @@ Read molecule h2omol:
   0 impropers with max type 0
 create_atoms   	0 box mol h2omol 464563 units box
 Created 24 atoms
-  Time spent = 0.00204968 secs
+  Time spent = 0.00128841 secs
 
 # rigid SPC/E water model
 
@@ -69,9 +69,9 @@ velocity       	all create 338.0 54654
 timestep        1.0
 
 minimize 0.0 0.0 100 1000
-WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.170448
   estimated absolute RMS force accuracy = 0.0332064
   estimated relative force accuracy = 0.0001
@@ -92,41 +92,41 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 11.88 | 11.88 | 11.88 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0          338   -4.1890564 9.2628112e-06     18.98377    739.06991 
-     100          338   -30.182886   0.85607237   -6.1539961   -2535.3207 
-Loop time of 0.0512006 on 1 procs for 100 steps with 24 atoms
+     100          338   -36.122455   0.67828405   -12.271354    573.22675 
+Loop time of 0.0461962 on 1 procs for 100 steps with 24 atoms
 
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = max iterations
   Energy initial, next-to-last, final = 
-        -4.18904713252     -28.9258064504     -29.3268133965
-  Force two-norm initial, final = 18.0027 42.4511
-  Force max component initial, final = 5.8993 16.0523
-  Final line search alpha, max atom move = 0.00353207 0.056698
-  Iterations, force evaluations = 100 238
+        -4.18904713252      -34.586018764     -35.4441713339
+  Force two-norm initial, final = 18.0027 42.115
+  Force max component initial, final = 5.8993 15.4907
+  Final line search alpha, max atom move = 0.00127226 0.0197082
+  Iterations, force evaluations = 100 239
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.04303    | 0.04303    | 0.04303    |   0.0 | 84.04
-Bond    | 0.00047088 | 0.00047088 | 0.00047088 |   0.0 |  0.92
-Kspace  | 0.0029728  | 0.0029728  | 0.0029728  |   0.0 |  5.81
-Neigh   | 0.00045919 | 0.00045919 | 0.00045919 |   0.0 |  0.90
-Comm    | 0.003406   | 0.003406   | 0.003406   |   0.0 |  6.65
-Output  | 2.265e-05  | 2.265e-05  | 2.265e-05  |   0.0 |  0.04
+Pair    | 0.038526   | 0.038526   | 0.038526   |   0.0 | 83.40
+Bond    | 0.00031209 | 0.00031209 | 0.00031209 |   0.0 |  0.68
+Kspace  | 0.0019636  | 0.0019636  | 0.0019636  |   0.0 |  4.25
+Neigh   | 0.00055456 | 0.00055456 | 0.00055456 |   0.0 |  1.20
+Comm    | 0.0040288  | 0.0040288  | 0.0040288  |   0.0 |  8.72
+Output  | 1.5259e-05 | 1.5259e-05 | 1.5259e-05 |   0.0 |  0.03
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.0008392  |            |       |  1.64
+Other   |            | 0.0007958  |            |       |  1.72
 
 Nlocal:    24 ave 24 max 24 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    2047 ave 2047 max 2047 min
+Nghost:    2011 ave 2011 max 2011 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    4936 ave 4936 max 4936 min
+Neighs:    4921 ave 4921 max 4921 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 4936
-Ave neighs/atom = 205.667
+Total # of neighbors = 4921
+Ave neighs/atom = 205.042
 Ave special neighs/atom = 2
 Neighbor list builds = 2
 Dangerous builds = 0
@@ -150,7 +150,7 @@ compute_modify  mynvt_temp dynamic/dof yes
 
 run 1000
 Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.170448
   estimated absolute RMS force accuracy = 0.0332064
   estimated relative force accuracy = 0.0001
@@ -158,36 +158,36 @@ Ewald initialization ...
                   kxmax kymax kzmax  = 2 2 2
 Per MPI rank memory allocation (min/avg/max) = 11.63 | 11.63 | 11.63 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0    518.26667   -30.182886            0   -7.0100684     993.1985 
-    1000     326.9865   -62.258443            0   -47.638173   -5.3439918 
-Loop time of 0.139436 on 1 procs for 1000 steps with 24 atoms
+       0    518.26667   -36.122455            0   -12.949638    703.43827 
+    1000    260.39219   -55.141232            0   -43.498537    -1698.672 
+Loop time of 0.140376 on 1 procs for 1000 steps with 24 atoms
 
-Performance: 619.641 ns/day, 0.039 hours/ns, 7171.773 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 615.489 ns/day, 0.039 hours/ns, 7123.720 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.10588    | 0.10588    | 0.10588    |   0.0 | 75.94
-Bond    | 0.00015759 | 0.00015759 | 0.00015759 |   0.0 |  0.11
-Kspace  | 0.011144   | 0.011144   | 0.011144   |   0.0 |  7.99
-Neigh   | 0.00459    | 0.00459    | 0.00459    |   0.0 |  3.29
-Comm    | 0.011396   | 0.011396   | 0.011396   |   0.0 |  8.17
-Output  | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  0.01
-Modify  | 0.0043328  | 0.0043328  | 0.0043328  |   0.0 |  3.11
-Other   |            | 0.001914   |            |       |  1.37
+Pair    | 0.10434    | 0.10434    | 0.10434    |   0.0 | 74.33
+Bond    | 0.00013041 | 0.00013041 | 0.00013041 |   0.0 |  0.09
+Kspace  | 0.008199   | 0.008199   | 0.008199   |   0.0 |  5.84
+Neigh   | 0.0061581  | 0.0061581  | 0.0061581  |   0.0 |  4.39
+Comm    | 0.015352   | 0.015352   | 0.015352   |   0.0 | 10.94
+Output  | 1.4305e-05 | 1.4305e-05 | 1.4305e-05 |   0.0 |  0.01
+Modify  | 0.004544   | 0.004544   | 0.004544   |   0.0 |  3.24
+Other   |            | 0.001639   |            |       |  1.17
 
 Nlocal:    24 ave 24 max 24 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1660 ave 1660 max 1660 min
+Nghost:    1776 ave 1776 max 1776 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    5112 ave 5112 max 5112 min
+Neighs:    5073 ave 5073 max 5073 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 5112
-Ave neighs/atom = 213
+Total # of neighbors = 5073
+Ave neighs/atom = 211.375
 Ave special neighs/atom = 2
-Neighbor list builds = 25
+Neighbor list builds = 27
 Dangerous builds = 0
 reset_timestep 0
 
@@ -224,67 +224,67 @@ thermo          1000
 
 run             20000
 Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.170448
   estimated absolute RMS force accuracy = 0.0332064
   estimated relative force accuracy = 0.0001
   KSpace vectors: actual max1d max3d = 16 2 62
                   kxmax kymax kzmax  = 2 2 2
-WARNING: Fix gcmc using full_energy option (../fix_gcmc.cpp:485)
+WARNING: Fix gcmc using full_energy option (src/MC/fix_gcmc.cpp:487)
 0 atoms in group FixGCMC:gcmc_exclusion_group:mygcmc
 0 atoms in group FixGCMC:rotation_gas_atoms:mygcmc
-WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (../neighbor.cpp:472)
+WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (src/neighbor.cpp:471)
 Per MPI rank memory allocation (min/avg/max) = 11.63 | 11.63 | 11.63 Mbytes
 Step Temp Press PotEng KinEng Density Atoms v_iacc v_dacc v_tacc v_racc v_nO v_nH 
-       0     326.9865   -4.3508819   -62.258443     14.62027   0.23910963       24            0            0            0            0            8           16 
-    1000      354.423   -3760.1354   -235.34169    51.766914   0.74721761       75  0.046175467  0.011949811            0            0           25           50 
-    2000    335.19661    -3018.659   -270.44089    52.955344   0.80699501       81  0.026473882 0.0068755525            0            0           27           54 
-    3000    333.47175    2657.2052   -336.48359    64.611037   0.98632724       99  0.022634978 0.0060076096            0            0           33           66 
-    4000    321.48504    2055.4786   -345.06113    62.288579   0.98632724       99  0.016897769 0.0045269353            0            0           33           66 
-    5000    333.45735    1918.5375    -368.5463    66.596193    1.0162159      102  0.013784412 0.0036569014            0            0           34           68 
-    6000    301.90666   -698.74074   -371.32122    60.295069    1.0162159      102   0.01160439 0.0030159847            0            0           34           68 
-    7000    336.42505    1537.9483   -378.51731    69.194524    1.0461046      105  0.010174953 0.0025995783            0            0           35           70 
-    8000    338.95331   -1032.1084    -390.7067    69.714524    1.0461046      105 0.0089594585  0.002260114            0            0           35           70 
-    9000    311.44605   -1494.7788    -383.9272    64.056945    1.0461046      105  0.007938083 0.0020156323            0            0           35           70 
-   10000    330.70877    2082.4597   -366.57249    68.018822    1.0461046      105 0.0071412985 0.0018148454            0            0           35           70 
-   11000    286.34718    2238.3752   -370.91119    60.601806    1.0759934      108 0.0066641451 0.0016519521            0            0           36           72 
-   12000    371.02522    3048.7157   -398.51333    78.522854    1.0759934      108 0.0061145907 0.0015128339            0            0           36           72 
-   13000    392.87611    4486.1134   -387.07077    83.147323    1.0759934      108 0.0056427384 0.0013968431            0            0           36           72 
-   14000    332.80747    3586.2698   -406.12151    70.434545    1.0759934      108 0.0052496417 0.0012945729            0            0           36           72 
-   15000    325.61844    4198.3864    -387.5733    68.913077    1.0759934      108 0.0048934679 0.0012098238            0            0           36           72 
-   16000    254.10285     1560.976   -409.98615    55.292559    1.1058821      111 0.0047204383 0.0011320612            0            0           37           74 
-   17000    367.46414    2750.8283   -412.22037    79.959878    1.1058821      111 0.0044407568 0.0010659592            0            0           37           74 
-   18000    407.74215    2308.5027   -408.73046    88.724338    1.1058821      111 0.0042016342 0.0010049017            0            0           37           74 
-   19000    341.53799    5777.9814   -407.00637     74.31837    1.1058821      111 0.0039877848 0.00095025921            0            0           37           74 
-   20000    395.75303    3159.4677   -403.82798    86.115516    1.1058821      111 0.0037874635 0.00090297077            0            0           37           74 
-Loop time of 231.351 on 1 procs for 20000 steps with 111 atoms
+       0    260.39219   -1699.3643   -55.141232    11.642695   0.23910963       24            0            0            0            0            8           16 
+    1000    340.44409   -2560.1501   -280.70157    53.784356   0.80699501       81  0.054205983  0.015933081            0            0           27           54 
+    2000    302.57602    592.41718   -310.37771    53.213377   0.89666113       90  0.030546787 0.0078577743            0            0           30           60 
+    3000    270.18045   -817.18659   -346.75773    50.737466   0.95643854       96  0.021969243 0.0060076096            0            0           32           64 
+    4000    334.17192    1153.3017   -335.25519     62.75449   0.95643854       96  0.016400775 0.0045269353            0            0           32           64 
+    5000    360.36872   -647.99689    -336.2928    67.674015   0.95643854       96  0.012996731 0.0036569014            0            0           32           64 
+    6000    282.37822   -986.51765   -341.91848    53.028098   0.95643854       96  0.010941282 0.0030159847            0            0           32           64 
+    7000    363.01448    2952.0391   -358.72963    70.335018   0.98632724       99 0.0098923151 0.0028884203            0            0           33           66 
+    8000    331.70391    323.34886   -382.04165    68.223498    1.0461046      105 0.0092083323 0.0025112378            0            0           35           70 
+    9000     337.2032   -3637.5257   -390.66472     69.35457    1.0461046      105 0.0081585853 0.0022395915            0            0           35           70 
+   10000    373.67063    3081.3271    -380.5107    76.855041    1.0461046      105 0.0073396679 0.0020164949            0            0           35           70 
+   11000    336.64665    5535.9451   -405.21548    71.247059    1.0759934      108 0.0068442571 0.0018355023            0            0           36           72 
+   12000    306.51164    1448.1757    -410.3655    64.869362    1.0759934      108 0.0062798499 0.0016809265            0            0           36           72 
+   13000    319.03497    177.44405   -406.17113    67.519768    1.0759934      108 0.0057952448 0.0015520479            0            0           36           72 
+   14000    309.89701   -1022.6798   -384.20239    65.585833    1.0759934      108  0.005391524 0.0014384143            0            0           36           72 
+   15000    398.91559    2058.9251   -404.32604    84.425503    1.0759934      108 0.0050257238 0.0013442486            0            0           36           72 
+   16000    318.98778    873.46142   -392.13338     67.50978    1.0759934      108 0.0047204383 0.0012578458            0            0           36           72 
+   17000    333.16025    2347.0215   -387.73943    70.509206    1.0759934      108 0.0044407568 0.0011843991            0            0           36           72 
+   18000    353.23789    -2305.787    -382.1633    74.758389    1.0759934      108 0.0042016342 0.0011165574            0            0           36           72 
+   19000    322.70939    5619.9631   -381.81328    68.297412    1.0759934      108 0.0039877848 0.0010558436            0            0           36           72 
+   20000    371.07261    3916.1113   -389.76357    78.532884    1.0759934      108 0.0037874635 0.0010033009            0            0           36           72 
+Loop time of 242.59 on 1 procs for 20000 steps with 108 atoms
 
-Performance: 7.469 ns/day, 3.213 hours/ns, 86.449 timesteps/s
-99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 7.123 ns/day, 3.369 hours/ns, 82.444 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 39.09      | 39.09      | 39.09      |   0.0 | 16.90
-Bond    | 0.092728   | 0.092728   | 0.092728   |   0.0 |  0.04
-Kspace  | 0.87751    | 0.87751    | 0.87751    |   0.0 |  0.38
-Neigh   | 3.9658     | 3.9658     | 3.9658     |   0.0 |  1.71
-Comm    | 1.0608     | 1.0608     | 1.0608     |   0.0 |  0.46
-Output  | 0.00096035 | 0.00096035 | 0.00096035 |   0.0 |  0.00
-Modify  | 186.07     | 186.07     | 186.07     |   0.0 | 80.43
-Other   |            | 0.1892     |            |       |  0.08
+Pair    | 38.279     | 38.279     | 38.279     |   0.0 | 15.78
+Bond    | 0.055672   | 0.055672   | 0.055672   |   0.0 |  0.02
+Kspace  | 0.60623    | 0.60623    | 0.60623    |   0.0 |  0.25
+Neigh   | 4.4189     | 4.4189     | 4.4189     |   0.0 |  1.82
+Comm    | 1.2719     | 1.2719     | 1.2719     |   0.0 |  0.52
+Output  | 0.00096583 | 0.00096583 | 0.00096583 |   0.0 |  0.00
+Modify  | 197.85     | 197.85     | 197.85     |   0.0 | 81.56
+Other   |            | 0.1098     |            |       |  0.05
 
-Nlocal:    111 ave 111 max 111 min
+Nlocal:    108 ave 108 max 108 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    8070 ave 8070 max 8070 min
+Nghost:    8000 ave 8000 max 8000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    105469 ave 105469 max 105469 min
+Neighs:    100006 ave 100006 max 100006 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 105469
-Ave neighs/atom = 950.171
+Total # of neighbors = 100006
+Ave neighs/atom = 925.981
 Ave special neighs/atom = 2
-Neighbor list builds = 20910
+Neighbor list builds = 20903
 Dangerous builds = 0
 
-Total wall time: 0:03:51
+Total wall time: 0:04:02
diff --git a/examples/gcmc/log.30Mar18.gcmc.lj.g++.1 b/examples/gcmc/log.27Nov18.gcmc.lj.g++.1
similarity index 90%
rename from examples/gcmc/log.30Mar18.gcmc.lj.g++.1
rename to examples/gcmc/log.27Nov18.gcmc.lj.g++.1
index 20a25c0f95..1a6651fd4e 100644
--- a/examples/gcmc/log.30Mar18.gcmc.lj.g++.1
+++ b/examples/gcmc/log.27Nov18.gcmc.lj.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (30 Mar 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # GCMC for LJ simple fluid, no dynamics
 # T = 2.0
@@ -112,20 +112,20 @@ Step Temp Press PotEng KinEng Density Atoms v_iacc v_dacc v_tacc v_rhoav v_pav v
     8000    2.2135488    2.0878792   -3.0471089    3.2707661        0.536       67  0.067926473  0.067738312    0.1135594      0.52736    1.4348314  0.034380623        62.43 
     9000    1.8904287   0.52639383   -3.3548657    2.7920177         0.52       65   0.06818197  0.068003094   0.11356319      0.53072    1.4528143  0.021683615        63.23 
    10000    2.2353281   0.73275312   -3.2197702    3.3006016        0.512       64  0.068465059  0.068208485   0.11414748      0.52712    1.4143492   0.03497858        62.44 
-Loop time of 21.2409 on 1 procs for 10000 steps with 64 atoms
+Loop time of 27.8547 on 1 procs for 10000 steps with 64 atoms
 
-Performance: 203381.368 tau/day, 470.790 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 155090.656 tau/day, 359.006 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.45931    | 0.45931    | 0.45931    |   0.0 |  2.16
-Neigh   | 1.1637     | 1.1637     | 1.1637     |   0.0 |  5.48
-Comm    | 0.17294    | 0.17294    | 0.17294    |   0.0 |  0.81
-Output  | 0.00027394 | 0.00027394 | 0.00027394 |   0.0 |  0.00
-Modify  | 19.416     | 19.416     | 19.416     |   0.0 | 91.41
-Other   |            | 0.02919    |            |       |  0.14
+Pair    | 0.43892    | 0.43892    | 0.43892    |   0.0 |  1.58
+Neigh   | 1.278      | 1.278      | 1.278      |   0.0 |  4.59
+Comm    | 0.24105    | 0.24105    | 0.24105    |   0.0 |  0.87
+Output  | 0.00032067 | 0.00032067 | 0.00032067 |   0.0 |  0.00
+Modify  | 25.88      | 25.88      | 25.88      |   0.0 | 92.91
+Other   |            | 0.01693    |            |       |  0.06
 
 Nlocal:    64 ave 64 max 64 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -138,4 +138,4 @@ Total # of neighbors = 2423
 Ave neighs/atom = 37.8594
 Neighbor list builds = 10000
 Dangerous builds = 0
-Total wall time: 0:00:21
+Total wall time: 0:00:27
diff --git a/examples/gcmc/log.30Mar18.gcmc.lj.g++.4 b/examples/gcmc/log.27Nov18.gcmc.lj.g++.4
similarity index 90%
rename from examples/gcmc/log.30Mar18.gcmc.lj.g++.4
rename to examples/gcmc/log.27Nov18.gcmc.lj.g++.4
index 819d0ed086..6e59f3d484 100644
--- a/examples/gcmc/log.30Mar18.gcmc.lj.g++.4
+++ b/examples/gcmc/log.27Nov18.gcmc.lj.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (30 Mar 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # GCMC for LJ simple fluid, no dynamics
 # T = 2.0
@@ -112,20 +112,20 @@ Step Temp Press PotEng KinEng Density Atoms v_iacc v_dacc v_tacc v_rhoav v_pav v
     8000     1.947817   0.74570466   -3.0935809    2.8753489        0.504       63  0.068034071  0.067855883   0.11217045      0.53304    1.4924302  0.012298733        63.45 
     9000    1.8942389    1.3367401   -2.8925016    2.7962574        0.504       63  0.068117479  0.067943081   0.11236152        0.536    1.4091106 0.0011494886        63.73 
    10000    2.2092799   0.95517153   -2.9117781    3.2586879         0.48       60  0.068264792  0.068016591   0.11310789      0.52272    1.4774174  0.051284873        62.04 
-Loop time of 29.2417 on 4 procs for 10000 steps with 60 atoms
+Loop time of 26.0069 on 4 procs for 10000 steps with 60 atoms
 
-Performance: 147733.999 tau/day, 341.977 timesteps/s
-96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 166109.741 tau/day, 384.513 timesteps/s
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.11648    | 0.1221     | 0.13001    |   1.5 |  0.42
-Neigh   | 0.34452    | 0.35618    | 0.36328    |   1.2 |  1.22
-Comm    | 0.63561    | 0.65617    | 0.67542    |   1.8 |  2.24
-Output  | 0.00056601 | 0.00069755 | 0.00074744 |   0.0 |  0.00
-Modify  | 28.069     | 28.076     | 28.082     |   0.1 | 96.01
-Other   |            | 0.03094    |            |       |  0.11
+Pair    | 0.10309    | 0.115      | 0.1225     |   2.2 |  0.44
+Neigh   | 0.3907     | 0.40447    | 0.41957    |   1.7 |  1.56
+Comm    | 0.44236    | 0.46678    | 0.49472    |   2.8 |  1.79
+Output  | 0.0011411  | 0.0062903  | 0.0080109  |   3.7 |  0.02
+Modify  | 25         | 25.002     | 25.005     |   0.0 | 96.14
+Other   |            | 0.01231    |            |       |  0.05
 
 Nlocal:    15 ave 16 max 14 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
@@ -138,4 +138,4 @@ Total # of neighbors = 2116
 Ave neighs/atom = 35.2667
 Neighbor list builds = 10000
 Dangerous builds = 0
-Total wall time: 0:00:29
+Total wall time: 0:00:26
diff --git a/examples/gcmc/log.30Mar18.gcmc.co2.g++.4 b/examples/gcmc/log.30Mar18.gcmc.co2.g++.4
deleted file mode 100644
index a824945cbf..0000000000
--- a/examples/gcmc/log.30Mar18.gcmc.co2.g++.4
+++ /dev/null
@@ -1,131 +0,0 @@
-LAMMPS (30 Mar 2018)
-  using 1 OpenMP thread(s) per MPI task
-# GCMC for CO2 molecular fluid, rigid/small/nvt dynamics
-# Rigid CO2 TraPPE model
-# [Potoff and J.I. Siepmann, Vapor-liquid equilibria of
-# mixtures containing alkanes, carbon dioxide and
-# nitrogen AIChE J., 47,1676-1682 (2001)].
-
-# variables available on command line
-
-variable        mu index -8.1
-variable	disp index 0.5
-variable        temp index 338.0
-variable        lbox index 10.0
-variable        spacing index 5.0
-
-# global model settings
-
-units           real
-atom_style      full
-boundary        p p p
-pair_style      lj/cut/coul/long  14
-pair_modify     mix arithmetic tail yes
-kspace_style    ewald 0.0001
-bond_style      harmonic
-angle_style     harmonic
-
-# box, start molecules on simple cubic lattice
-
-lattice 	sc ${spacing}
-lattice 	sc 5.0
-Lattice spacing in x,y,z = 5 5 5
-region          box block 0 ${lbox} 0 ${lbox} 0 ${lbox} units box
-region          box block 0 10.0 0 ${lbox} 0 ${lbox} units box
-region          box block 0 10.0 0 10.0 0 ${lbox} units box
-region          box block 0 10.0 0 10.0 0 10.0 units box
-create_box      2 box                                       bond/types 1                                angle/types 1                               extra/bond/per/atom 2                       extra/angle/per/atom 1                      extra/special/per/atom 2
-Created orthogonal box = (0 0 0) to (10 10 10)
-  1 by 2 by 2 MPI processor grid
-molecule        co2mol CO2.txt
-Read molecule co2mol:
-  3 atoms with max type 2
-  2 bonds with max type 1
-  1 angles with max type 1
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-create_atoms   	0 box mol co2mol 464563 units box
-Created 24 atoms
-  Time spent = 0.00257635 secs
-
-# rigid CO2 TraPPE model
-
-pair_coeff      1   1  0.053649   2.8
-pair_coeff      2   2  0.156973   3.05
-bond_coeff      1       0       1.16
-angle_coeff     1       0       180
-
-# masses
-
-mass 1 12.0107
-mass 2 15.9994
-
-# MD settings
-
-group           co2 type 1 2
-24 atoms in group co2
-neighbor        2.0 bin
-neigh_modify    every 1 delay 10 check yes
-velocity       	all create ${temp} 54654
-velocity       	all create 338.0 54654
-timestep        1.0
-
-# rigid constraints with thermostat
-
-fix             myrigidnvt co2 rigid/nvt/small molecule temp ${temp} ${temp} 100 mol co2mol
-fix             myrigidnvt co2 rigid/nvt/small molecule temp 338.0 ${temp} 100 mol co2mol
-fix             myrigidnvt co2 rigid/nvt/small molecule temp 338.0 338.0 100 mol co2mol
-8 rigid bodies with 24 atoms
-  1.16 = max distance from body owner to body atom
-
-# dynamically update  fix rigid/nvt/small temperature ndof
-fix_modify	myrigidnvt dynamic/dof yes
-
-# gcmc
-
-variable        tfac equal 5.0/3.0 # (3 trans + 2 rot)/(3 trans)
-fix             mygcmc co2 gcmc 100 100 0 0 54341 ${temp} ${mu} ${disp} mol                 co2mol tfac_insert ${tfac} group co2 rigid myrigidnvt
-fix             mygcmc co2 gcmc 100 100 0 0 54341 338.0 ${mu} ${disp} mol                 co2mol tfac_insert ${tfac} group co2 rigid myrigidnvt
-fix             mygcmc co2 gcmc 100 100 0 0 54341 338.0 -8.1 ${disp} mol                 co2mol tfac_insert ${tfac} group co2 rigid myrigidnvt
-fix             mygcmc co2 gcmc 100 100 0 0 54341 338.0 -8.1 0.5 mol                 co2mol tfac_insert ${tfac} group co2 rigid myrigidnvt
-fix             mygcmc co2 gcmc 100 100 0 0 54341 338.0 -8.1 0.5 mol                 co2mol tfac_insert 1.66666666666667 group co2 rigid myrigidnvt
-
-# atom counts
-
-variable 	carbon atom "type==1"
-variable        oxygen atom "type==2"
-group 		carbon dynamic co2 var carbon
-dynamic group carbon defined
-group 	        oxygen dynamic co2 var oxygen
-dynamic group oxygen defined
-variable        nC equal count(carbon)
-variable        nO equal count(oxygen)
-
-# output
-
-variable	tacc equal f_mygcmc[2]/(f_mygcmc[1]+0.1)
-variable	iacc equal f_mygcmc[4]/(f_mygcmc[3]+0.1)
-variable	dacc equal f_mygcmc[6]/(f_mygcmc[5]+0.1)
-variable	racc equal f_mygcmc[8]/(f_mygcmc[7]+0.1)
-
-# dynamically update default temperature ndof
-compute_modify  thermo_temp dynamic/dof yes
-
-thermo_style    custom step temp press pe ke density atoms v_iacc v_dacc v_tacc v_racc v_nC v_nO
-thermo          1000
-
-# run
-
-run             20000
-Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.164636
-  estimated absolute RMS force accuracy = 0.0332064
-  estimated relative force accuracy = 0.0001
-  KSpace vectors: actual max1d max3d = 16 2 62
-                  kxmax kymax kzmax  = 2 2 2
-WARNING: Fix gcmc using full_energy option (../fix_gcmc.cpp:485)
-0 atoms in group FixGCMC:gcmc_exclusion_group:mygcmc
-0 atoms in group FixGCMC:rotation_gas_atoms:mygcmc
-ERROR: fix gcmc does currently not support full_energy option with molecules on more than 1 MPI process. (../fix_gcmc.cpp:721)
-Last command: run             20000
diff --git a/examples/gcmc/log.30Mar18.gcmc.h2o.g++.4 b/examples/gcmc/log.30Mar18.gcmc.h2o.g++.4
deleted file mode 100644
index c5caf57113..0000000000
--- a/examples/gcmc/log.30Mar18.gcmc.h2o.g++.4
+++ /dev/null
@@ -1,237 +0,0 @@
-LAMMPS (30 Mar 2018)
-  using 1 OpenMP thread(s) per MPI task
-# fix gcmc example with fix shake
-
-# variables available on command line
-
-variable        mu index -8.1
-variable	disp index 0.5
-variable        temp index 338.0
-variable        lbox index 10.0
-variable        spacing index 5.0
-
-# global model settings
-
-units           real
-atom_style      full
-boundary        p p p
-pair_style      lj/cut/coul/long  14
-pair_modify     mix arithmetic tail yes
-kspace_style    ewald 0.0001
-bond_style      harmonic
-angle_style     harmonic
-
-# box, start molecules on simple cubic lattice
-
-lattice 	sc ${spacing}
-lattice 	sc 5.0
-Lattice spacing in x,y,z = 5 5 5
-region          box block 0 ${lbox} 0 ${lbox} 0 ${lbox} units box
-region          box block 0 10.0 0 ${lbox} 0 ${lbox} units box
-region          box block 0 10.0 0 10.0 0 ${lbox} units box
-region          box block 0 10.0 0 10.0 0 10.0 units box
-create_box      2 box                                       bond/types 1                                angle/types 1                               extra/bond/per/atom 2                       extra/angle/per/atom 1                      extra/special/per/atom 2
-Created orthogonal box = (0 0 0) to (10 10 10)
-  1 by 2 by 2 MPI processor grid
-
-molecule        h2omol H2O.txt
-Read molecule h2omol:
-  3 atoms with max type 2
-  2 bonds with max type 1
-  1 angles with max type 1
-  0 dihedrals with max type 0
-  0 impropers with max type 0
-create_atoms   	0 box mol h2omol 464563 units box
-Created 24 atoms
-  Time spent = 0.00285625 secs
-
-# rigid SPC/E water model
-
-pair_coeff      1 1 0.15535 3.166
-pair_coeff      * 2 0.0000 0.0000
-
-bond_coeff      1     1000       1.0
-angle_coeff     1      100       109.47
-
-# masses
-
-mass 1 15.9994
-mass 2 1.0
-
-# MD settings
-
-group           h2o type 1 2
-24 atoms in group h2o
-neighbor        2.0 bin
-neigh_modify    every 1 delay 1 check yes
-velocity       	all create ${temp} 54654
-velocity       	all create 338.0 54654
-timestep        1.0
-
-minimize 0.0 0.0 100 1000
-WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168)
-Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.170448
-  estimated absolute RMS force accuracy = 0.0332064
-  estimated relative force accuracy = 0.0001
-  KSpace vectors: actual max1d max3d = 16 2 62
-                  kxmax kymax kzmax  = 2 2 2
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 16
-  ghost atom cutoff = 16
-  binsize = 8, bins = 2 2 2
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut/coul/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 11.85 | 11.85 | 11.85 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          338   -4.9610706 9.2628112e-06    18.211756    730.90791 
-     100          338   -15.742442   0.14954269     7.579918   -637.49568 
-Loop time of 0.0695416 on 4 procs for 100 steps with 24 atoms
-
-94.4% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-Minimization stats:
-  Stopping criterion = max iterations
-  Energy initial, next-to-last, final = 
-        -4.96106135393     -15.5388622715      -15.592899346
-  Force two-norm initial, final = 15.474 18.1478
-  Force max component initial, final = 5.80042 7.56514
-  Final line search alpha, max atom move = 0.00151131 0.0114333
-  Iterations, force evaluations = 100 328
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0093951  | 0.017625   | 0.028943   |   5.3 | 25.34
-Bond    | 0.00035357 | 0.00042325 | 0.00055075 |   0.0 |  0.61
-Kspace  | 0.00664    | 0.019695   | 0.029924   |   6.1 | 28.32
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.022505   | 0.02509    | 0.027851   |   1.3 | 36.08
-Output  | 3.3855e-05 | 3.5942e-05 | 4.1485e-05 |   0.0 |  0.05
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.006672   |            |       |  9.59
-
-Nlocal:    6 ave 8 max 3 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-Nghost:    1722 ave 1725 max 1720 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Neighs:    1256.75 ave 2101 max 667 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
-
-Total # of neighbors = 5027
-Ave neighs/atom = 209.458
-Ave special neighs/atom = 2
-Neighbor list builds = 0
-Dangerous builds = 0
-reset_timestep 0
-
-# rigid constraints with thermostat
-
-fix             mynvt h2o nvt temp ${temp} ${temp} 100
-fix             mynvt h2o nvt temp 338.0 ${temp} 100
-fix             mynvt h2o nvt temp 338.0 338.0 100
-fix             wshake h2o shake 0.0001 50 0 b 1 a 1 mol h2omol
-  0 = # of size 2 clusters
-  0 = # of size 3 clusters
-  0 = # of size 4 clusters
-  8 = # of frozen angles
-
-# important to make temperature dofs dynamic
-
-compute_modify  thermo_temp dynamic/dof yes
-compute_modify  mynvt_temp dynamic/dof yes
-
-run 1000
-Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.170448
-  estimated absolute RMS force accuracy = 0.0332064
-  estimated relative force accuracy = 0.0001
-  KSpace vectors: actual max1d max3d = 16 2 62
-                  kxmax kymax kzmax  = 2 2 2
-Per MPI rank memory allocation (min/avg/max) = 11.6 | 11.6 | 11.6 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0    518.26667   -15.742442            0    7.4303753    -613.0781 
-    1000    369.81793   -54.202682            0   -37.667327    294.98832 
-Loop time of 0.191619 on 4 procs for 1000 steps with 24 atoms
-
-Performance: 450.894 ns/day, 0.053 hours/ns, 5218.680 timesteps/s
-96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.015873   | 0.028989   | 0.040172   |   5.3 | 15.13
-Bond    | 0.00024271 | 0.00027657 | 0.00034404 |   0.0 |  0.14
-Kspace  | 0.022896   | 0.034492   | 0.047924   |   5.1 | 18.00
-Neigh   | 0.0025764  | 0.0025961  | 0.0026152  |   0.0 |  1.35
-Comm    | 0.068467   | 0.070095   | 0.071535   |   0.4 | 36.58
-Output  | 4.8161e-05 | 5.0783e-05 | 5.7936e-05 |   0.0 |  0.03
-Modify  | 0.049141   | 0.049894   | 0.05072    |   0.3 | 26.04
-Other   |            | 0.005226   |            |       |  2.73
-
-Nlocal:    6 ave 8 max 3 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    1331.5 ave 1369 max 1290 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    1259.75 ave 1642 max 428 min
-Histogram: 1 0 0 0 0 0 0 1 0 2
-
-Total # of neighbors = 5039
-Ave neighs/atom = 209.958
-Ave special neighs/atom = 2
-Neighbor list builds = 27
-Dangerous builds = 0
-reset_timestep 0
-
-# gcmc
-
-variable        tfac equal 5.0/3.0 # (3 trans + 2 rot)/(3 trans)
-fix             mygcmc h2o gcmc 100 100 0 0 54341 ${temp} ${mu} ${disp} mol                 h2omol tfac_insert ${tfac} group h2o shake wshake
-fix             mygcmc h2o gcmc 100 100 0 0 54341 338.0 ${mu} ${disp} mol                 h2omol tfac_insert ${tfac} group h2o shake wshake
-fix             mygcmc h2o gcmc 100 100 0 0 54341 338.0 -8.1 ${disp} mol                 h2omol tfac_insert ${tfac} group h2o shake wshake
-fix             mygcmc h2o gcmc 100 100 0 0 54341 338.0 -8.1 0.5 mol                 h2omol tfac_insert ${tfac} group h2o shake wshake
-fix             mygcmc h2o gcmc 100 100 0 0 54341 338.0 -8.1 0.5 mol                 h2omol tfac_insert 1.66666666666667 group h2o shake wshake
-
-# atom counts
-
-variable 	oxygen atom "type==1"
-variable 	hydrogen atom "type==2"
-group 	        oxygen dynamic all var oxygen
-dynamic group oxygen defined
-group 		hydrogen dynamic all var hydrogen
-dynamic group hydrogen defined
-variable        nO equal count(oxygen)
-variable        nH equal count(hydrogen)
-
-# output
-
-variable	tacc equal f_mygcmc[2]/(f_mygcmc[1]+0.1)
-variable	iacc equal f_mygcmc[4]/(f_mygcmc[3]+0.1)
-variable	dacc equal f_mygcmc[6]/(f_mygcmc[5]+0.1)
-variable	racc equal f_mygcmc[8]/(f_mygcmc[7]+0.1)
-thermo_style    custom step temp press pe ke density atoms v_iacc v_dacc v_tacc v_racc v_nO v_nH
-thermo          1000
-
-# run
-
-run             20000
-Ewald initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.170448
-  estimated absolute RMS force accuracy = 0.0332064
-  estimated relative force accuracy = 0.0001
-  KSpace vectors: actual max1d max3d = 16 2 62
-                  kxmax kymax kzmax  = 2 2 2
-WARNING: Fix gcmc using full_energy option (../fix_gcmc.cpp:485)
-0 atoms in group FixGCMC:gcmc_exclusion_group:mygcmc
-0 atoms in group FixGCMC:rotation_gas_atoms:mygcmc
-ERROR: fix gcmc does currently not support full_energy option with molecules on more than 1 MPI process. (../fix_gcmc.cpp:721)
-Last command: run             20000

From d67dad9d673ad3eedb388561c9dcd10485d46767 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 12:47:15 -0500
Subject: [PATCH 228/273] update log files for meam examples

---
 examples/meam/Ni.meam                         |   4 +-
 examples/meam/SiC.meam                        |  13 +-
 examples/meam/library.meam                    | 179 +-----------------
 ...ay17.meam.g++.1 => log.27Nov18.meam.g++.1} |  21 +-
 ...ay17.meam.g++.4 => log.27Nov18.meam.g++.4} |  21 +-
 ...ear.g++.1 => log.27Nov18.meam.shear.g++.1} |  98 +++++-----
 ...ear.g++.4 => log.27Nov18.meam.shear.g++.4} | 110 +++++------
 ...17.meamc.g++.1 => log.27Nov18.meamc.g++.1} |  20 +-
 ...17.meamc.g++.4 => log.27Nov18.meamc.g++.4} |  20 +-
 ...ar.g++.1 => log.27Nov18.meamc.shear.g++.1} |  99 +++++-----
 ...ar.g++.4 => log.27Nov18.meamc.shear.g++.4} | 103 +++++-----
 11 files changed, 253 insertions(+), 435 deletions(-)
 mode change 100644 => 120000 examples/meam/Ni.meam
 mode change 100644 => 120000 examples/meam/SiC.meam
 mode change 100644 => 120000 examples/meam/library.meam
 rename examples/meam/{log.19May17.meam.g++.1 => log.27Nov18.meam.g++.1} (80%)
 rename examples/meam/{log.19May17.meam.g++.4 => log.27Nov18.meam.g++.4} (80%)
 rename examples/meam/{log.19May17.meam.shear.g++.1 => log.27Nov18.meam.shear.g++.1} (60%)
 rename examples/meam/{log.19May17.meam.shear.g++.4 => log.27Nov18.meam.shear.g++.4} (59%)
 rename examples/meam/{log.19May17.meamc.g++.1 => log.27Nov18.meamc.g++.1} (83%)
 rename examples/meam/{log.19May17.meamc.g++.4 => log.27Nov18.meamc.g++.4} (83%)
 rename examples/meam/{log.19May17.meamc.shear.g++.1 => log.27Nov18.meamc.shear.g++.1} (61%)
 rename examples/meam/{log.19May17.meamc.shear.g++.4 => log.27Nov18.meamc.shear.g++.4} (61%)

diff --git a/examples/meam/Ni.meam b/examples/meam/Ni.meam
deleted file mode 100644
index 7fd8d19f52..0000000000
--- a/examples/meam/Ni.meam
+++ /dev/null
@@ -1,3 +0,0 @@
-# DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Unknown 
-rc = 4.0
-delr = 0.1
diff --git a/examples/meam/Ni.meam b/examples/meam/Ni.meam
new file mode 120000
index 0000000000..5283388f64
--- /dev/null
+++ b/examples/meam/Ni.meam
@@ -0,0 +1 @@
+../../potentials/Ni.meam
\ No newline at end of file
diff --git a/examples/meam/SiC.meam b/examples/meam/SiC.meam
deleted file mode 100644
index d07903c52a..0000000000
--- a/examples/meam/SiC.meam
+++ /dev/null
@@ -1,12 +0,0 @@
-# DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Unknown
-lattce(1,2) = 'dia'
-Ec(1,2) = 6.4325
-alpha(1,2) = 4.37
-re(1,2) = 1.8878
-rho0(2) = 2.25
-rc = 4.0
-delr = 0.1
-Cmax(1,2,1) = 4.0
-Cmax(1,2,2) = 4.0
-Cmax(2,2,1) = 4.0
-Cmax(1,1,2) = 4.0
diff --git a/examples/meam/SiC.meam b/examples/meam/SiC.meam
new file mode 120000
index 0000000000..288d5d0433
--- /dev/null
+++ b/examples/meam/SiC.meam
@@ -0,0 +1 @@
+../../potentials/SiC.meam
\ No newline at end of file
diff --git a/examples/meam/library.meam b/examples/meam/library.meam
deleted file mode 100644
index 38a52bed0a..0000000000
--- a/examples/meam/library.meam
+++ /dev/null
@@ -1,178 +0,0 @@
-# DATE: 2012-06-29 DATE: 2007-06-11 CONTRIBUTOR: Greg Wagner, gjwagne@sandia.gov CITATION: Baskes, Phys Rev B, 46, 2727-2742 (1992) 
-# meam data from vax files fcc,bcc,dia    11/4/92
-# elt        lat     z       ielement     atwt
-# alpha      b0      b1      b2           b3    alat    esub    asub
-# t0         t1              t2           t3            rozero  ibar
-
-'AlS'        'fcc'   12.     13           26.9815
-4.64        2.04    3.00    6.0          1.50  4.05    3.353    1.07
-1.0         +4.50           -2.30        8.01          1.0    -5
-'SiS'        'dia'   4.      14           28.086
-4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
-1.0         2.05            4.47         -1.80         2.2    -5
-'MgS'       'hcp'   12.      12           24.305
-5.52        4.0    3.0     0.2          1.2  3.194 1.51     0.80
-1.0         10.04           9.49         -4.3          0.63   -5
-'CuS'        'fcc'   12.     29           63.54
-5.11        3.634   2.20    6            2.20  3.62    3.54    1.07
-1.0         4.91            2.49         2.95          1.10   -5
-'FeS'        'bcc'   8       26           55.847
-5.0270      3.500   2       1.00         1     2.851   4.28    0.5550
-1          -1.6             12.5          -1.40        1.0    -5
-'Sn5'       'dia'   4.      50           118.
-5.09        5.00   16.0    04.0          5.0  6.483   3.14     1.00
-1.0         2.00            5.756        -0.30         1.      0
-'Sn'        'dia'   4.      50           118.
-5.09        5.42    8.0     5.0          6.0  6.483   3.14     1.12
-1.0         3.0             5.707        +0.30         1.      0
-'Cu'        'fcc'   12.     29           63.54
-5.10570729  3.634   2.20    6            2.20  3.62    3.54    1.07
-1.0         3.13803254      2.49438711   2.95269237    1.      0
-'Ag'        'fcc'   12.     47           107.870
-5.89222008  4.456   2.20    6            2.20  4.08    2.85    1.06
-1.0         5.54097609      2.45015783   1.28843988    1.      0
-'Au'        'fcc'   12.     79           196.967
-6.34090112  5.449   2.20    6            2.20  4.07    3.93    1.04
-1.0         1.58956328      1.50776392   2.60609758    1.      0
-'Ni1'        'fcc'   12.     28           58.71
-4.99        2.45    2.20    6            2.20  3.52    4.45    1.10
-1.0         3.57            1.60         3.70           1.0    0
-'Ni2'        'fcc'   12.     28           58.71
-4.99        2.45    2.20    6            2.20  3.52    4.45    1.10
-1.0         3.57            1.60         3.70           1.0    3
-'Ni3'        'fcc'   12.     28           58.71
-4.99        2.45    1.50    6            1.50  3.52    4.45    1.10
-1.0         3.57            1.60         3.70           1.0    3
-'Ni4'        'fcc'   12.     28           58.71
-4.99        2.45    1.50    6            1.50  3.52    4.45    1.10
-1.0         3.57            1.60         3.70           1.0    0
-'Ni'        'fcc'   12.     28           58.71
-4.99        2.64    1.50    4.50         1.50  3.52    4.45    1.10
-1.0         1.692           4.987        3.683          1.0    1 
-'Nix'        'fcc'   12.     28           58.71
-4.99        2.64    1.50    4.50         1.50  3.52    4.45    1.10
-1.0         0.00            0.000        3.683          1.0    1 
-'Ni'        'fcc'   12.     28           58.71
-4.99        3.25    0.80    4            1.50  3.52    4.45    1.07
-1.0         -4.052          13.14        3.786		1.0    1
-'Pd'        'fcc'   12.     46           106.4
-6.43230473  4.975   2.20    6            2.20  3.89    3.91    1.01
-1.0         2.33573516      1.38343023   4.47989049    1.      0
-'Pt'        'fcc'   12.     78           195.09
-6.44221724  4.673   2.20    6            2.20  3.92    5.77    1.04
-1.0         2.73335406      -1.3759593   3.29322278    1.      0
-'Al'        'fcc'   12.     13           26.9815
-4.61        2.21    2.20    6.0          2.20  4.05    3.58    1.07
-1.0         -1.78           -2.21        8.01          0.6     0
-'Al'        'fcc'   12.     13           26.9815
-4.69        1.56    4.00    5.5          0.60  4.05    3.36    1.09
-1.0         -0.251          -3.450       8.298         0.6     1
-'Al'        'fcc'   12.     13           26.9815
-4.69	    1.58    1.00    6.0          0.60  4.05    3.36    1.09
-1.0         -0.808          -2.614       8.298         0.6     1
-'Pb'        'fcc'   12.     82           207.19
-6.0564428   5.306   2.20    6            2.20  4.95    2.04    1.01
-1.0         2.74022352      3.06323991   1.2           1.      0
-'Rh'        'fcc'   12.     45           102.905
-6.0045385   1.131   1.00    2            1.00  3.8     5.75    1.05
-1.0         2.9900          4.60231784   4.8           1.      0
-'Ir'        'fcc'   12.     77           192.2
-6.52315787  1.13    1.00    2            1.00  3.84    6.93    1.05
-1.0         1.50000         8.09942666   4.8           1.      0
-'Li'        'bcc'   8.      3            6.939
-2.97244804  1.425   1.00    1.00169907   1.00  3.509   1.65    0.87
-1.0         0.26395017      0.44431129   -0.2          1.      0 
-'Na'        'bcc'   8.      11           22.9898
-3.64280541  2.313   1.00    1.00173951   1.00  4.291   1.13    0.9
-1.0         3.55398839      0.68807569   -0.2          1.      0
-'K'         'bcc'   8.      19           39.102
-3.90128376  2.687   1.00    1.00186667   1.00  5.344   0.94    0.92
-1.0         5.09756981      0.69413264   -0.2          1.      0
-'V'         'bcc'   8.      23           50.942
-4.83265262  4.113   1.00    1.00095022   1.00  3.04    5.3     1
-1.0         4.20161301      4.09946561   -1            1.      0
-'Nb'        'bcc'   8.      41           92.906
-4.79306197  4.374   1.00    1.00101441   1.00  3.301   7.47    1
-1.0         3.75762849      3.82514598   -1            1.      0
-'Ta'        'bcc'   8.      73           180.948
-4.89528669  3.709   1.00    1.00099783   1.00  3.303   8.09    0.99
-1.0         6.08617812      3.35255804   -2.9          1.      0
-'Cr'        'bcc'   8.      24           51.996
-5.12169218  3.224   1.00    1.00048646   1.00  2.885   4.1     0.94
-1.0         -0.207535       12.2600006   -1.9          1.      0
-'Mo'        'bcc'   8.      42           95.94
-5.84872871  4.481   1.00    1.00065204   1.00  3.15    6.81    0.99
-1.0         3.47727181      9.48582009   -2.9          1.      0
-'W'         'bcc'   8.      74           183.85
-5.62777409  3.978   1.00    1.00065894   1.00  3.165   8.66    0.98
-1.0         3.16353338      8.24586928   -2.7          1.      0
-'WL'	    'bcc'   8	    74	         183.85
-5.6831	    6.54    1	    1	         1     3.1639  8.66    0.4
-1	    -0.6	    0.3	         -8.7	       1       3
-'Fe'        'bcc'   8.      26           55.847
-5.07292627  2.935   1.00    1.00080073   1.00  2.866   4.29    0.89
-1.0         5.13579244      4.12042448   -2.7          1.      0
-'Si'        'dia'   4.      14           28.086
-4.87        4.8     4.8     4.8          4.8   5.431   4.63    1.
-1.0         3.30            5.105        -0.80         1.      1
-'Si97'        'dia'   4.      14           28.086
-4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
-1.0         3.13            4.47         -1.80         2.05    0
-'Si92'        'dia'   4.      14           28.086
-4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
-1.0         3.13            4.47        -1.80          2.35    0
-'Six'	    'dia'   4	    14	         28.086
-4.87	    4.4	    5.5	    5.5	         5.5   5.431   4.63    1.0
-1.0	    2.05            4.47         -1.8	       2.05     0
-'Sixb'	    'dia'   4	    14	         28.086
-4.87	    4.4	    5.5	    5.5	         5.5   5.431   4.63    1.0
-1.0	    2.05            4.47         -1.8	       2.5     0
-'Mg'       'hcp'   12.      12           24.305
-5.45        2.70    0.0     0.35         3.0   3.20    1.55    1.11
-1.0         8.00            04.1         -02.0         1.0     0
-'C'         'dia'   4.      6            12.0111
-4.38        4.10    4.200   5.00         3.00  3.567   7.37    1.000
-1.0         5.0             9.34         -1.00         2.25    1
-'C'         'dia'   4.      6            12.0111
-4.38        5.20    3.87    4.00         4.50  3.567   7.37    1.278
-1.0         15.             2.09         -6.00         2.5     1
-'C'         'dia'   4.      6            12.0111
-4.38        4.50    4.00    3.50         4.80  3.567   7.37    1.00
-1.0         10.5            1.54         -8.75         3.2     1 
-'C'         'dia'   4.      6            12.0111
-4.38        3.30    2.80    1.50         3.20  3.567   7.37    1.00 
-1.0         10.3            1.54         -8.80         2.5     1 
-'C'         'dia'   4.      6            12.0111
-4.38        4.60    3.45    4.00         4.20  3.567   7.37    1.061
-1.0         15.0            1.74         -8.00         2.5     1
-'C'         'dia'   4.      6            12.0111
-4.38        4.50    4.00    3.50         4.80  3.567   7.37    1.00
-1.0         10.5            1.54         -8.75         3.2     1
-'h'         'dim'   1.      1            1.0079
-2.96        2.70    3.5     3.4          3.4   0.74    2.235   2.27
-1.0         0.19            0.00         0.00          20.00    0
-'h'         'dim'   1.      1            1.0079
-2.96        2.00    4.0     4.0          0.0   0.74    2.235   1.00
-1.0         -0.60           -0.80        -0.0          01.0    1
-'H'         'dim'   1.      1            1.0079
-2.96        2.96    3.0     3.0          3.0   0.74    2.235   2.50
-1.0         0.20            -0.10        0.0           0.5     0
-'H'         'dim'   1.      1            1.0079
-2.96        2.0     3.0     4.0          0.0   0.74    2.225   1.00
-1.0         -0.5            -1.00        0.0           0.15    1
-'H'         'dim'   1.      1            1.0079
-2.96        2.00    2.0     2.0          2.0   0.74    2.235   1.00
-1.0         -0.60           -0.80        -0.0          01.0    2
-'Hni'       'dim'   1.      1            1.0079
-2.96        2.96    3.0     3.0          3.0   0.74    2.235   2.50
-1.0         0.2             -0.1         0.0           0.5     0
-'Hni'         'dim'   1.      1            1.0079
-2.96        2.96    3.0     2.0          3.0   0.74    2.235   36.4
-1.0         0.2             6.0         0.0           22.8     0
-'Vac'       'fcc'   12.     1            1.
-0           0       0.0     0            0.0   1E+08   0       1  
-0           0               0             0             1.     0
-'zz'        'zzz'   99.     1            1.
-0           0       0.0     0            0.0    0.     0.     0.
-0           0               0             0             1.     0
-                                 
diff --git a/examples/meam/library.meam b/examples/meam/library.meam
new file mode 120000
index 0000000000..86fb601d6b
--- /dev/null
+++ b/examples/meam/library.meam
@@ -0,0 +1 @@
+../../potentials/library.meam
\ No newline at end of file
diff --git a/examples/meam/log.19May17.meam.g++.1 b/examples/meam/log.27Nov18.meam.g++.1
similarity index 80%
rename from examples/meam/log.19May17.meam.g++.1
rename to examples/meam/log.27Nov18.meam.g++.1
index a98de97f8e..502d919923 100644
--- a/examples/meam/log.19May17.meam.g++.1
+++ b/examples/meam/log.27Nov18.meam.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Test of MEAM potential for SiC system
 
@@ -14,6 +14,7 @@ read_data	data.meam
   128 atoms
 
 pair_style	meam
+WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (src/MEAM/pair_meam.cpp:51)
 pair_coeff	* * library.meam Si C SiC.meam Si C
 Reading potential file library.meam with DATE: 2012-06-29
 Reading potential file SiC.meam with DATE: 2007-06-11
@@ -64,20 +65,20 @@ Step Temp E_pair E_mol TotEng Press
       80    2126.0903   -671.43755            0   -636.53557   -97475.831 
       90     2065.755    -670.4349            0   -636.52338   -95858.837 
      100    2051.4553   -670.20799            0   -636.53122    -107068.9 
-Loop time of 0.0864418 on 1 procs for 100 steps with 128 atoms
+Loop time of 0.0545483 on 1 procs for 100 steps with 128 atoms
 
-Performance: 99.952 ns/day, 0.240 hours/ns, 1156.848 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 158.392 ns/day, 0.152 hours/ns, 1833.239 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.082592   | 0.082592   | 0.082592   |   0.0 | 95.55
-Neigh   | 0.0028124  | 0.0028124  | 0.0028124  |   0.0 |  3.25
-Comm    | 0.00049043 | 0.00049043 | 0.00049043 |   0.0 |  0.57
-Output  | 0.00014329 | 0.00014329 | 0.00014329 |   0.0 |  0.17
-Modify  | 0.00025415 | 0.00025415 | 0.00025415 |   0.0 |  0.29
-Other   |            | 0.0001497  |            |       |  0.17
+Pair    | 0.050821   | 0.050821   | 0.050821   |   0.0 | 93.17
+Neigh   | 0.0026484  | 0.0026484  | 0.0026484  |   0.0 |  4.86
+Comm    | 0.0006423  | 0.0006423  | 0.0006423  |   0.0 |  1.18
+Output  | 0.00011492 | 0.00011492 | 0.00011492 |   0.0 |  0.21
+Modify  | 0.00021195 | 0.00021195 | 0.00021195 |   0.0 |  0.39
+Other   |            | 0.0001101  |            |       |  0.20
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/meam/log.19May17.meam.g++.4 b/examples/meam/log.27Nov18.meam.g++.4
similarity index 80%
rename from examples/meam/log.19May17.meam.g++.4
rename to examples/meam/log.27Nov18.meam.g++.4
index adc34d08aa..d02591e122 100644
--- a/examples/meam/log.19May17.meam.g++.4
+++ b/examples/meam/log.27Nov18.meam.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Test of MEAM potential for SiC system
 
@@ -14,6 +14,7 @@ read_data	data.meam
   128 atoms
 
 pair_style	meam
+WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (src/MEAM/pair_meam.cpp:51)
 pair_coeff	* * library.meam Si C SiC.meam Si C
 Reading potential file library.meam with DATE: 2012-06-29
 Reading potential file SiC.meam with DATE: 2007-06-11
@@ -64,20 +65,20 @@ Step Temp E_pair E_mol TotEng Press
       80    2126.0903   -671.43755            0   -636.53557   -97475.831 
       90     2065.755    -670.4349            0   -636.52338   -95858.837 
      100    2051.4553   -670.20799            0   -636.53122    -107068.9 
-Loop time of 0.0389078 on 4 procs for 100 steps with 128 atoms
+Loop time of 0.023721 on 4 procs for 100 steps with 128 atoms
 
-Performance: 222.063 ns/day, 0.108 hours/ns, 2570.177 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 364.234 ns/day, 0.066 hours/ns, 4215.667 timesteps/s
+95.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.031958   | 0.033267   | 0.034691   |   0.6 | 85.50
-Neigh   | 0.00079155 | 0.00086409 | 0.00098801 |   0.0 |  2.22
-Comm    | 0.0025704  | 0.0041765  | 0.005573   |   1.9 | 10.73
-Output  | 0.0002749  | 0.00029588 | 0.00033569 |   0.0 |  0.76
-Modify  | 9.4891e-05 | 0.00010347 | 0.00011587 |   0.0 |  0.27
-Other   |            | 0.000201   |            |       |  0.52
+Pair    | 0.019888   | 0.020242   | 0.020626   |   0.2 | 85.33
+Neigh   | 0.00071859 | 0.00076133 | 0.00082922 |   0.0 |  3.21
+Comm    | 0.0019681  | 0.0022618  | 0.002651   |   0.5 |  9.53
+Output  | 0.00018048 | 0.0002225  | 0.00034213 |   0.0 |  0.94
+Modify  | 8.2016e-05 | 8.6308e-05 | 9.203e-05  |   0.0 |  0.36
+Other   |            | 0.000147   |            |       |  0.62
 
 Nlocal:    32 ave 36 max 30 min
 Histogram: 1 2 0 0 0 0 0 0 0 1
diff --git a/examples/meam/log.19May17.meam.shear.g++.1 b/examples/meam/log.27Nov18.meam.shear.g++.1
similarity index 60%
rename from examples/meam/log.19May17.meam.shear.g++.1
rename to examples/meam/log.27Nov18.meam.shear.g++.1
index 77b9688455..8eab38bc70 100644
--- a/examples/meam/log.19May17.meam.shear.g++.1
+++ b/examples/meam/log.27Nov18.meam.shear.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
@@ -17,8 +17,10 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.0007267 secs
 
 pair_style	meam
+WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (src/MEAM/pair_meam.cpp:51)
 pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
 Reading potential file library.meam with DATE: 2012-06-29
 Reading potential file Ni.meam with DATE: 2007-06-11
@@ -63,7 +65,7 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
@@ -91,20 +93,20 @@ Step Temp E_pair E_mol TotEng Press Volume
       50          300   -8149.7654            0   -8096.1353    10633.141    19684.382 
       75    304.80657   -8163.4557            0   -8108.9665     7045.457    19759.745 
      100          300   -8173.6884            0   -8120.0584     5952.521    19886.589 
-Loop time of 1.58103 on 1 procs for 100 steps with 1912 atoms
+Loop time of 0.894544 on 1 procs for 100 steps with 1912 atoms
 
-Performance: 5.465 ns/day, 4.392 hours/ns, 63.250 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 9.659 ns/day, 2.485 hours/ns, 111.789 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5561     | 1.5561     | 1.5561     |   0.0 | 98.42
-Neigh   | 0.018544   | 0.018544   | 0.018544   |   0.0 |  1.17
-Comm    | 0.0013864  | 0.0013864  | 0.0013864  |   0.0 |  0.09
-Output  | 0.00011396 | 0.00011396 | 0.00011396 |   0.0 |  0.01
-Modify  | 0.0038245  | 0.0038245  | 0.0038245  |   0.0 |  0.24
-Other   |            | 0.001096   |            |       |  0.07
+Pair    | 0.87012    | 0.87012    | 0.87012    |   0.0 | 97.27
+Neigh   | 0.01798    | 0.01798    | 0.01798    |   0.0 |  2.01
+Comm    | 0.0016143  | 0.0016143  | 0.0016143  |   0.0 |  0.18
+Output  | 0.00011492 | 0.00011492 | 0.00011492 |   0.0 |  0.01
+Modify  | 0.0035381  | 0.0035381  | 0.0035381  |   0.0 |  0.40
+Other   |            | 0.001176   |            |       |  0.13
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -139,7 +141,7 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
@@ -156,52 +158,52 @@ Step Temp E_pair E_mol TotEng Press Volume
      800          300   -8139.1821            0   -8103.4288    3628.3957    20509.519 
      900    305.03425   -8126.7734            0   -8090.4201    5316.2206    20638.992 
     1000    304.00321   -8112.1616            0   -8075.9311    7441.9638    20767.243 
-    1100    304.14047   -8096.5041            0   -8060.2573    9646.6976    20888.167 
-    1200    302.78457   -8080.5931            0   -8044.5079    11516.209    20995.917 
-    1300    308.67054   -8061.6724            0   -8024.8857    11496.479    21130.013 
-    1400     309.8301     -8046.27            0   -8009.3452    12926.835    21247.271 
-    1500          300   -8035.0321            0   -7999.2788    15346.455    21370.637 
-    1600          300   -8030.6657            0   -7994.9123    14802.869    21496.446 
-    1700          300   -8024.5251            0   -7988.7718    13176.923    21611.262 
-    1800          300   -8022.9963            0    -7987.243    10260.665    21741.956 
-    1900          300   -8028.0522            0   -7992.2988    6955.1367    21867.765 
-    2000          300   -8037.2708            0   -8001.5175    3520.3749    21987.467 
-    2100          300   -8035.9945            0   -8000.2412    3237.6121    22109.611 
-    2200          300   -8036.1882            0   -8000.4348    4295.1386    22223.205 
-    2300          300   -8032.7689            0   -7997.0155    6231.2346    22355.121 
-    2400          300   -8034.6621            0   -7998.9088    8585.3799    22468.716 
-    2500          300   -8031.7774            0   -7996.0241    11627.871    22587.196 
-    2600          300    -8024.032            0   -7988.2786     16254.69    22716.669 
-    2700    308.64215    -8017.407            0   -7980.6237    18440.226    22835.149 
-    2800          300   -8015.7348            0   -7979.9814    17601.716    22957.293 
-    2900    305.82558   -8013.7448            0   -7977.2972    14123.494    23089.209 
-    3000          300   -8011.0289            0   -7975.2755    9957.2884    23205.247 
-Loop time of 51.9315 on 1 procs for 3000 steps with 1912 atoms
+    1100    304.14041   -8096.5041            0   -8060.2573    9646.6972    20888.167 
+    1200    302.78454   -8080.5931            0   -8044.5079    11516.208    20995.917 
+    1300    308.67064   -8061.6724            0   -8024.8857    11496.471    21130.013 
+    1400    309.82994     -8046.27            0   -8009.3451    12926.819    21247.271 
+    1500          300   -8035.0317            0   -7999.2784    15346.797    21370.637 
+    1600          300   -8030.6636            0   -7994.9102     14803.43    21496.446 
+    1700          300   -8024.4819            0   -7988.7286    13175.257    21611.262 
+    1800          300   -8022.8531            0   -7987.0998     10315.63    21743.178 
+    1900          300   -8028.4095            0   -7992.6561    6882.0635    21855.551 
+    2000          300   -8036.9005            0   -8001.1472    3508.9237    21983.802 
+    2100          300   -8037.8224            0   -8002.0691    2724.0594    22112.054 
+    2200    306.93248   -8035.3297            0   -7998.7501    4400.6008    22228.091 
+    2300    306.24125    -8036.748            0   -8000.2508    6075.0546    22352.678 
+    2400          300   -8038.8534            0      -8003.1    8701.8498    22465.051 
+    2500    308.34129   -8034.0796            0   -7997.3322     10977.68    22600.632 
+    2600    299.70072   -8028.8815            0   -7993.1638     15468.97    22715.447 
+    2700    298.78276   -8019.1655            0   -7983.5572    18076.132    22844.921 
+    2800    305.57845   -8014.3542            0    -7977.936    17573.035    22962.179 
+    2900          300   -8015.7677            0   -7980.0144    13461.463    23087.988 
+    3000          300   -8010.5908            0   -7974.8375    9333.4855    23199.139 
+Loop time of 29.4592 on 1 procs for 3000 steps with 1912 atoms
 
-Performance: 4.991 ns/day, 4.808 hours/ns, 57.768 timesteps/s
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 8.799 ns/day, 2.728 hours/ns, 101.836 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 50.918     | 50.918     | 50.918     |   0.0 | 98.05
-Neigh   | 0.81033    | 0.81033    | 0.81033    |   0.0 |  1.56
-Comm    | 0.047331   | 0.047331   | 0.047331   |   0.0 |  0.09
-Output  | 0.0011976  | 0.0011976  | 0.0011976  |   0.0 |  0.00
-Modify  | 0.11889    | 0.11889    | 0.11889    |   0.0 |  0.23
-Other   |            | 0.03606    |            |       |  0.07
+Pair    | 28.489     | 28.489     | 28.489     |   0.0 | 96.71
+Neigh   | 0.77356    | 0.77356    | 0.77356    |   0.0 |  2.63
+Comm    | 0.052517   | 0.052517   | 0.052517   |   0.0 |  0.18
+Output  | 0.00095224 | 0.00095224 | 0.00095224 |   0.0 |  0.00
+Modify  | 0.10813    | 0.10813    | 0.10813    |   0.0 |  0.37
+Other   |            | 0.03525    |            |       |  0.12
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1672 ave 1672 max 1672 min
+Nghost:    1668 ave 1668 max 1668 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    23557 ave 23557 max 23557 min
+Neighs:    23391 ave 23391 max 23391 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  47114 ave 47114 max 47114 min
+FullNghs:  46782 ave 46782 max 46782 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 47114
-Ave neighs/atom = 24.6412
-Neighbor list builds = 221
+Total # of neighbors = 46782
+Ave neighs/atom = 24.4676
+Neighbor list builds = 219
 Dangerous builds = 0
-Total wall time: 0:00:53
+Total wall time: 0:00:30
diff --git a/examples/meam/log.19May17.meam.shear.g++.4 b/examples/meam/log.27Nov18.meam.shear.g++.4
similarity index 59%
rename from examples/meam/log.19May17.meam.shear.g++.4
rename to examples/meam/log.27Nov18.meam.shear.g++.4
index 84cb94f4b9..708e470925 100644
--- a/examples/meam/log.19May17.meam.shear.g++.4
+++ b/examples/meam/log.27Nov18.meam.shear.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
@@ -17,8 +17,10 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000408649 secs
 
 pair_style	meam
+WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (src/MEAM/pair_meam.cpp:51)
 pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
 Reading potential file library.meam with DATE: 2012-06-29
 Reading potential file Ni.meam with DATE: 2007-06-11
@@ -63,7 +65,7 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
@@ -91,20 +93,20 @@ Step Temp E_pair E_mol TotEng Press Volume
       50          300   -8150.0685            0   -8096.4384    10317.407    19685.743 
       75    307.76021   -8164.6669            0   -8109.6496    6289.7138    19757.814 
      100          300   -8176.5141            0    -8122.884    4162.2559    19873.327 
-Loop time of 0.482293 on 4 procs for 100 steps with 1912 atoms
+Loop time of 0.263516 on 4 procs for 100 steps with 1912 atoms
 
-Performance: 17.914 ns/day, 1.340 hours/ns, 207.343 timesteps/s
-98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 32.787 ns/day, 0.732 hours/ns, 379.483 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.44374    | 0.45604    | 0.46922    |   1.4 | 94.56
-Neigh   | 0.0047338  | 0.0049097  | 0.0051899  |   0.2 |  1.02
-Comm    | 0.0054841  | 0.019044   | 0.031472   |   6.9 |  3.95
-Output  | 0.00012755 | 0.00013644 | 0.00015831 |   0.0 |  0.03
-Modify  | 0.0011139  | 0.0011852  | 0.0012643  |   0.2 |  0.25
-Other   |            | 0.0009753  |            |       |  0.20
+Pair    | 0.24401    | 0.2486     | 0.25128    |   0.6 | 94.34
+Neigh   | 0.0046518  | 0.0047416  | 0.0048261  |   0.1 |  1.80
+Comm    | 0.0054512  | 0.0082117  | 0.012793   |   3.1 |  3.12
+Output  | 0.00010562 | 0.00013095 | 0.00019932 |   0.0 |  0.05
+Modify  | 0.0010016  | 0.0010275  | 0.0010595  |   0.1 |  0.39
+Other   |            | 0.0008045  |            |       |  0.31
 
 Nlocal:    478 ave 492 max 465 min
 Histogram: 2 0 0 0 0 0 0 0 1 1
@@ -139,7 +141,7 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
@@ -154,54 +156,54 @@ Step Temp E_pair E_mol TotEng Press Volume
      600    304.23435   -8158.0946            0   -8121.8366    583.93595    20328.848 
      700    296.44479   -8149.7914            0   -8114.4618    1985.4155    20421.046 
      800    307.75738   -8139.1649            0    -8102.487     4319.078    20513.183 
-     900    304.61422   -8126.9246            0   -8090.6214    6654.0963    20640.213 
-    1000          300   -8113.8464            0   -8078.0931    7760.1239    20768.465 
-    1100    300.17873   -8097.7469            0   -8061.9722     8438.126    20874.731 
-    1200    306.01441   -8083.3367            0   -8046.8665    10835.586    20994.432 
-    1300          300    -8067.022            0   -8031.2686    11216.067    21126.348 
-    1400          300    -8053.223            0   -8017.4697    10570.206    21253.378 
-    1500          300   -8043.4849            0   -8007.7315    11360.766    21375.523 
-    1600          300    -8034.621            0   -7998.8676    11371.584    21498.889 
-    1700          300   -8028.6783            0    -7992.925     9596.524    21613.705 
-    1800          300   -8033.0818            0   -7997.3285    8767.2651    21743.178 
-    1900    303.18912    -8035.194            0   -7999.0606    8059.9558    21859.215 
-    2000          300   -8025.0327            0   -7989.2794    9305.7521    21980.138 
-    2100          300   -8041.4626            0   -8005.7092    6623.8789     22108.39 
-    2200          300   -8040.3133            0   -8004.5599    7512.9368    22225.648 
-    2300          300   -8055.6567            0   -8019.9033     8281.354    22344.128 
-    2400    304.05922    -8050.289            0   -8014.0518    11964.826    22476.044 
-    2500    305.75646   -8037.0481            0   -8000.6087    16594.032    22595.746 
-    2600    307.71105   -8031.2253            0   -7994.5529    18381.745    22708.119 
-    2700      307.397   -8026.5338            0   -7989.8988    13944.653    22829.042 
-    2800     309.3455   -8020.2305            0   -7983.3634    7037.4046    22954.851 
-    2900     301.2859   -8010.4731            0   -7974.5665    3843.8972    23072.109 
-    3000    303.29908   -8000.0395            0   -7963.8929    364.90172     23207.69 
-Loop time of 14.5278 on 4 procs for 3000 steps with 1912 atoms
+     900    304.61422   -8126.9246            0   -8090.6214    6654.0962    20640.213 
+    1000          300   -8113.8464            0   -8078.0931    7760.1237    20768.465 
+    1100    300.17873   -8097.7469            0   -8061.9722    8438.1259    20874.731 
+    1200    306.01441   -8083.3367            0   -8046.8665    10835.588    20994.432 
+    1300          300    -8067.022            0   -8031.2687    11216.061    21126.348 
+    1400          300    -8053.223            0   -8017.4696    10570.211    21253.378 
+    1500          300   -8043.4848            0   -8007.7314    11360.762    21375.523 
+    1600          300   -8034.6201            0   -7998.8667    11371.282    21498.889 
+    1700          300   -8028.6797            0   -7992.9263    9596.8454    21613.705 
+    1800          300   -8033.0802            0   -7997.3268    8767.8176    21743.178 
+    1900    303.23288   -8035.1821            0   -7999.0434    8065.2879    21859.215 
+    2000          300   -8025.0795            0   -7989.3262    9321.8098    21980.138 
+    2100          300   -8041.3621            0   -8005.6088    6674.2623     22108.39 
+    2200          300   -8039.7261            0   -8003.9727    7548.8847    22225.648 
+    2300          300   -8052.3497            0   -8016.5964    8936.4935    22352.678 
+    2400          300    -8049.395            0   -8013.6416    12633.909    22476.044 
+    2500    308.48099   -8039.9448            0   -8003.1807    16242.081    22593.303 
+    2600          300   -8032.1953            0    -7996.442    18386.669    22722.776 
+    2700    303.49413   -8027.6563            0   -7991.4865    14415.581    22829.042 
+    2800    304.13476   -8017.3394            0   -7981.0933    7457.1076    22953.629 
+    2900          300   -8010.3658            0   -7974.6124    2815.5155    23074.552 
+    3000    309.49253     -7999.74            0   -7962.8553     756.7511    23210.132 
+Loop time of 8.57528 on 4 procs for 3000 steps with 1912 atoms
 
-Performance: 17.842 ns/day, 1.345 hours/ns, 206.500 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 30.226 ns/day, 0.794 hours/ns, 349.843 timesteps/s
+98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 13.872     | 13.929     | 13.998     |   1.4 | 95.88
-Neigh   | 0.20891    | 0.21114    | 0.21272    |   0.3 |  1.45
-Comm    | 0.25364    | 0.32377    | 0.37706    |   8.9 |  2.23
-Output  | 0.0011427  | 0.0012097  | 0.0013931  |   0.3 |  0.01
-Modify  | 0.033687   | 0.033991   | 0.034694   |   0.2 |  0.23
-Other   |            | 0.02871    |            |       |  0.20
+Pair    | 8.0046     | 8.0451     | 8.1075     |   1.5 | 93.82
+Neigh   | 0.20142    | 0.20699    | 0.21469    |   1.2 |  2.41
+Comm    | 0.1972     | 0.2657     | 0.312      |   9.3 |  3.10
+Output  | 0.00087762 | 0.0015897  | 0.0037148  |   3.1 |  0.02
+Modify  | 0.030267   | 0.031624   | 0.032929   |   0.7 |  0.37
+Other   |            | 0.02427    |            |       |  0.28
 
-Nlocal:    478 ave 509 max 445 min
+Nlocal:    478 ave 507 max 447 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    804 ave 845 max 759 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Neighs:    5827 ave 6177 max 5496 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-FullNghs:  11654 ave 12330 max 11039 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
+Nghost:    799.75 ave 842 max 763 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    5806.5 ave 6097 max 5507 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+FullNghs:  11613 ave 12159 max 11039 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
 
-Total # of neighbors = 46616
-Ave neighs/atom = 24.3808
-Neighbor list builds = 223
+Total # of neighbors = 46452
+Ave neighs/atom = 24.295
+Neighbor list builds = 224
 Dangerous builds = 0
-Total wall time: 0:00:15
+Total wall time: 0:00:08
diff --git a/examples/meam/log.19May17.meamc.g++.1 b/examples/meam/log.27Nov18.meamc.g++.1
similarity index 83%
rename from examples/meam/log.19May17.meamc.g++.1
rename to examples/meam/log.27Nov18.meamc.g++.1
index 4aa1f7bcc3..2fcd24077b 100644
--- a/examples/meam/log.19May17.meamc.g++.1
+++ b/examples/meam/log.27Nov18.meamc.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Test of MEAM potential for SiC system
 
@@ -64,20 +64,20 @@ Step Temp E_pair E_mol TotEng Press
       80    2126.0903   -671.43755            0   -636.53557   -97475.832 
       90    2065.7549    -670.4349            0   -636.52338   -95858.836 
      100    2051.4553   -670.20799            0   -636.53122   -107068.89 
-Loop time of 0.0778153 on 1 procs for 100 steps with 128 atoms
+Loop time of 0.0780671 on 1 procs for 100 steps with 128 atoms
 
-Performance: 111.032 ns/day, 0.216 hours/ns, 1285.094 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 110.674 ns/day, 0.217 hours/ns, 1280.950 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.073801   | 0.073801   | 0.073801   |   0.0 | 94.84
-Neigh   | 0.0029731  | 0.0029731  | 0.0029731  |   0.0 |  3.82
-Comm    | 0.00047708 | 0.00047708 | 0.00047708 |   0.0 |  0.61
-Output  | 0.00015664 | 0.00015664 | 0.00015664 |   0.0 |  0.20
-Modify  | 0.00025702 | 0.00025702 | 0.00025702 |   0.0 |  0.33
-Other   |            | 0.0001504  |            |       |  0.19
+Pair    | 0.074199   | 0.074199   | 0.074199   |   0.0 | 95.05
+Neigh   | 0.0026548  | 0.0026548  | 0.0026548  |   0.0 |  3.40
+Comm    | 0.00068045 | 0.00068045 | 0.00068045 |   0.0 |  0.87
+Output  | 0.00020933 | 0.00020933 | 0.00020933 |   0.0 |  0.27
+Modify  | 0.00021243 | 0.00021243 | 0.00021243 |   0.0 |  0.27
+Other   |            | 0.0001111  |            |       |  0.14
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/meam/log.19May17.meamc.g++.4 b/examples/meam/log.27Nov18.meamc.g++.4
similarity index 83%
rename from examples/meam/log.19May17.meamc.g++.4
rename to examples/meam/log.27Nov18.meamc.g++.4
index 3701fb80d8..b97f18b25c 100644
--- a/examples/meam/log.19May17.meamc.g++.4
+++ b/examples/meam/log.27Nov18.meamc.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Test of MEAM potential for SiC system
 
@@ -64,20 +64,20 @@ Step Temp E_pair E_mol TotEng Press
       80    2126.0903   -671.43755            0   -636.53557   -97475.832 
       90    2065.7549    -670.4349            0   -636.52338   -95858.836 
      100    2051.4553   -670.20799            0   -636.53122   -107068.89 
-Loop time of 0.037066 on 4 procs for 100 steps with 128 atoms
+Loop time of 0.0317811 on 4 procs for 100 steps with 128 atoms
 
-Performance: 233.097 ns/day, 0.103 hours/ns, 2697.887 timesteps/s
-97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 271.859 ns/day, 0.088 hours/ns, 3146.521 timesteps/s
+96.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.029985   | 0.031596   | 0.033021   |   0.8 | 85.24
-Neigh   | 0.0007906  | 0.00085384 | 0.00088596 |   0.0 |  2.30
-Comm    | 0.0025654  | 0.0040313  | 0.0057514  |   2.2 | 10.88
-Output  | 0.00027013 | 0.00029153 | 0.00033426 |   0.0 |  0.79
-Modify  | 9.5367e-05 | 0.00010639 | 0.00012016 |   0.0 |  0.29
-Other   |            | 0.0001866  |            |       |  0.50
+Pair    | 0.027395   | 0.027726   | 0.028188   |   0.2 | 87.24
+Neigh   | 0.00073433 | 0.00077397 | 0.00084281 |   0.0 |  2.44
+Comm    | 0.0024559  | 0.0028514  | 0.003237   |   0.5 |  8.97
+Output  | 0.00018358 | 0.00020361 | 0.00026178 |   0.0 |  0.64
+Modify  | 8.44e-05   | 9.0241e-05 | 9.5129e-05 |   0.0 |  0.28
+Other   |            | 0.0001359  |            |       |  0.43
 
 Nlocal:    32 ave 36 max 30 min
 Histogram: 1 2 0 0 0 0 0 0 0 1
diff --git a/examples/meam/log.19May17.meamc.shear.g++.1 b/examples/meam/log.27Nov18.meamc.shear.g++.1
similarity index 61%
rename from examples/meam/log.19May17.meamc.shear.g++.1
rename to examples/meam/log.27Nov18.meamc.shear.g++.1
index 5eb06592d8..4aff7d2399 100644
--- a/examples/meam/log.19May17.meamc.shear.g++.1
+++ b/examples/meam/log.27Nov18.meamc.shear.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
@@ -17,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000667334 secs
 
 pair_style	meam/c
 pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
@@ -63,7 +64,7 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
@@ -91,20 +92,20 @@ Step Temp E_pair E_mol TotEng Press Volume
       50          300   -8149.7654            0   -8096.1353    10633.139    19684.382 
       75    304.80657   -8163.4557            0   -8108.9665    7045.4555    19759.745 
      100          300   -8173.6884            0   -8120.0584    5952.5197    19886.589 
-Loop time of 1.46986 on 1 procs for 100 steps with 1912 atoms
+Loop time of 1.24344 on 1 procs for 100 steps with 1912 atoms
 
-Performance: 5.878 ns/day, 4.083 hours/ns, 68.034 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 6.948 ns/day, 3.454 hours/ns, 80.422 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.445      | 1.445      | 1.445      |   0.0 | 98.31
-Neigh   | 0.018564   | 0.018564   | 0.018564   |   0.0 |  1.26
-Comm    | 0.0012956  | 0.0012956  | 0.0012956  |   0.0 |  0.09
-Output  | 0.00012612 | 0.00012612 | 0.00012612 |   0.0 |  0.01
-Modify  | 0.0038197  | 0.0038197  | 0.0038197  |   0.0 |  0.26
-Other   |            | 0.001095   |            |       |  0.07
+Pair    | 1.2191     | 1.2191     | 1.2191     |   0.0 | 98.05
+Neigh   | 0.017918   | 0.017918   | 0.017918   |   0.0 |  1.44
+Comm    | 0.0016081  | 0.0016081  | 0.0016081  |   0.0 |  0.13
+Output  | 0.00010872 | 0.00010872 | 0.00010872 |   0.0 |  0.01
+Modify  | 0.0035257  | 0.0035257  | 0.0035257  |   0.0 |  0.28
+Other   |            | 0.001145   |            |       |  0.09
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -139,7 +140,7 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
@@ -155,53 +156,53 @@ Step Temp E_pair E_mol TotEng Press Volume
      700          300   -8148.1314            0   -8112.3781    3507.1949    20435.297 
      800          300   -8139.1805            0   -8103.4272    3628.5908    20509.519 
      900    305.03217   -8126.7741            0    -8090.421    5313.7881    20638.992 
-    1000     303.7648   -8112.1574            0   -8075.9554    7433.3181    20767.243 
-    1100    302.39719   -8096.1399            0   -8060.1009    9681.7685    20888.167 
-    1200    304.04919   -8080.7022            0   -8044.4663    11621.974    21011.532 
-    1300    303.56395   -8062.0984            0   -8025.9203    11410.793    21125.127 
-    1400    309.92338   -8046.0008            0   -8009.0648    12408.158     21246.05 
-    1500          300   -8034.7094            0    -7998.956    14845.312    21363.308 
-    1600          300   -8028.4585            0   -7992.7051    15120.908    21489.117 
-    1700    308.23904   -8015.9618            0   -7979.2265     14714.73    21612.483 
-    1800          300   -8013.5458            0   -7977.7924    11955.065     21737.07 
-    1900          300   -8012.2984            0    -7976.545    6667.1353    21854.329 
-    2000          300   -8025.6019            0   -7989.8485    2006.6545    21981.359 
-    2100          300   -8027.6823            0   -7991.9289     16.47633    22109.611 
-    2200          300   -8029.6905            0   -7993.9372   -603.98293    22224.427 
-    2300          300   -8033.2663            0    -7997.513   -464.68645    22351.457 
-    2400          300   -8040.6863            0   -8004.9329   -640.54641    22467.494 
-    2500          300   -8037.0332            0   -8001.2799    1504.2444    22587.196 
-    2600          300   -8036.0909            0   -8000.3375    4190.2052    22708.119 
-    2700    308.97892   -8028.5269            0   -7991.7035    5755.7418    22832.706 
-    2800    305.27189   -8023.8286            0   -7987.4469    2611.7551    22962.179 
-    2900    301.94251   -8017.4523            0   -7981.4675    358.11928    23078.216 
-    3000    305.67682    -8009.853            0   -7973.4231    -2345.487    23197.918 
-Loop time of 48.351 on 1 procs for 3000 steps with 1912 atoms
+    1000     303.7648   -8112.1574            0   -8075.9554    7433.3182    20767.243 
+    1100    302.39719   -8096.1399            0   -8060.1009    9681.7687    20888.167 
+    1200     304.0492   -8080.7022            0   -8044.4663    11621.974    21011.532 
+    1300    303.56399   -8062.0984            0   -8025.9203    11410.792    21125.127 
+    1400    309.92342   -8046.0009            0   -8009.0649     12408.16     21246.05 
+    1500          300   -8034.7095            0   -7998.9562    14845.279    21363.308 
+    1600          300   -8028.4584            0   -7992.7051    15120.946    21489.117 
+    1700    308.24098   -8015.9617            0   -7979.2262    14714.985    21612.483 
+    1800          300   -8013.5445            0   -7977.7911    11955.097     21737.07 
+    1900          300   -8012.2934            0   -7976.5401    6668.5401    21854.329 
+    2000          300   -8025.5575            0   -7989.8041    1991.1401    21981.359 
+    2100          300   -8027.6564            0   -7991.9031    15.137723    22109.611 
+    2200          300   -8029.7898            0   -7994.0364   -583.82386    22225.648 
+    2300          300    -8033.278            0   -7997.5247   -657.14777    22344.128 
+    2400          300   -8040.6711            0   -8004.9178   -826.53135    22473.601 
+    2500          300   -8037.7007            0   -8001.9473    547.23901    22594.524 
+    2600    306.30094   -8036.6072            0   -8000.1029    2870.9529    22721.555 
+    2700    309.00737   -8033.9906            0   -7997.1638    4440.4698    22832.706 
+    2800          300   -8030.7816            0   -7995.0282    1519.7066    22956.072 
+    2900    307.99687   -8026.5913            0   -7989.8849   -1143.0985    23089.209 
+    3000          300   -8021.6011            0   -7985.8477   -4089.7884    23199.139 
+Loop time of 40.4198 on 1 procs for 3000 steps with 1912 atoms
 
-Performance: 5.361 ns/day, 4.477 hours/ns, 62.046 timesteps/s
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 6.413 ns/day, 3.743 hours/ns, 74.221 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 47.356     | 47.356     | 47.356     |   0.0 | 97.94
-Neigh   | 0.79977    | 0.79977    | 0.79977    |   0.0 |  1.65
-Comm    | 0.043133   | 0.043133   | 0.043133   |   0.0 |  0.09
-Output  | 0.0011899  | 0.0011899  | 0.0011899  |   0.0 |  0.00
-Modify  | 0.11648    | 0.11648    | 0.11648    |   0.0 |  0.24
-Other   |            | 0.03404    |            |       |  0.07
+Pair    | 39.44      | 39.44      | 39.44      |   0.0 | 97.58
+Neigh   | 0.78059    | 0.78059    | 0.78059    |   0.0 |  1.93
+Comm    | 0.0537     | 0.0537     | 0.0537     |   0.0 |  0.13
+Output  | 0.00090766 | 0.00090766 | 0.00090766 |   0.0 |  0.00
+Modify  | 0.1089     | 0.1089     | 0.1089     |   0.0 |  0.27
+Other   |            | 0.03561    |            |       |  0.09
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1662 ave 1662 max 1662 min
+Nghost:    1658 ave 1658 max 1658 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    23143 ave 23143 max 23143 min
+Neighs:    23146 ave 23146 max 23146 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  46286 ave 46286 max 46286 min
+FullNghs:  46292 ave 46292 max 46292 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 46286
-Ave neighs/atom = 24.2082
-Neighbor list builds = 220
+Total # of neighbors = 46292
+Ave neighs/atom = 24.2113
+Neighbor list builds = 222
 Dangerous builds = 0
-Total wall time: 0:00:49
+Total wall time: 0:00:41
diff --git a/examples/meam/log.19May17.meamc.shear.g++.4 b/examples/meam/log.27Nov18.meamc.shear.g++.4
similarity index 61%
rename from examples/meam/log.19May17.meamc.shear.g++.4
rename to examples/meam/log.27Nov18.meamc.shear.g++.4
index 136459a44a..702e13f554 100644
--- a/examples/meam/log.19May17.meamc.shear.g++.4
+++ b/examples/meam/log.27Nov18.meamc.shear.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (19 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
@@ -17,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000405788 secs
 
 pair_style	meam/c
 pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
@@ -63,7 +64,7 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
@@ -91,20 +92,20 @@ Step Temp E_pair E_mol TotEng Press Volume
       50          300   -8150.0685            0   -8096.4384    10317.406    19685.743 
       75    307.76021   -8164.6669            0   -8109.6496    6289.7123    19757.814 
      100          300   -8176.5141            0    -8122.884    4162.2548    19873.327 
-Loop time of 0.435874 on 4 procs for 100 steps with 1912 atoms
+Loop time of 0.360204 on 4 procs for 100 steps with 1912 atoms
 
-Performance: 19.822 ns/day, 1.211 hours/ns, 229.424 timesteps/s
-98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 23.986 ns/day, 1.001 hours/ns, 277.621 timesteps/s
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.4092     | 0.41563    | 0.42184    |   0.7 | 95.35
-Neigh   | 0.0048575  | 0.004932   | 0.0049984  |   0.1 |  1.13
-Comm    | 0.0069079  | 0.013151   | 0.019513   |   4.2 |  3.02
-Output  | 0.00012398 | 0.00013405 | 0.00015688 |   0.0 |  0.03
-Modify  | 0.0011275  | 0.0011509  | 0.0011735  |   0.1 |  0.26
-Other   |            | 0.0008795  |            |       |  0.20
+Pair    | 0.33423    | 0.33889    | 0.34311    |   0.7 | 94.08
+Neigh   | 0.0045969  | 0.004706   | 0.0048506  |   0.1 |  1.31
+Comm    | 0.010211   | 0.014394   | 0.019267   |   3.4 |  4.00
+Output  | 0.00011277 | 0.00017589 | 0.00036049 |   0.0 |  0.05
+Modify  | 0.0010302  | 0.0010442  | 0.0010614  |   0.0 |  0.29
+Other   |            | 0.0009908  |            |       |  0.28
 
 Nlocal:    478 ave 492 max 465 min
 Histogram: 2 0 0 0 0 0 0 0 1 1
@@ -139,7 +140,7 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
@@ -156,52 +157,52 @@ Step Temp E_pair E_mol TotEng Press Volume
      800    307.88628   -8139.1709            0   -8102.4776    4311.4142    20513.183 
      900    303.37209   -8126.9382            0   -8090.7829    6712.7316    20640.213 
     1000          300   -8113.7973            0    -8078.044    7630.2594    20750.143 
-    1100    300.07815   -8098.1383            0   -8062.3756    8423.7063    20879.616 
+    1100    300.07815   -8098.1383            0   -8062.3756    8423.7061    20879.616 
     1200          300   -8083.3163            0    -8047.563    10772.917    21000.539 
-    1300          300   -8066.6741            0   -8030.9208    10834.336    21128.791 
-    1400          300   -8050.8799            0   -8015.1265    10842.382    21257.043 
-    1500          300   -8040.3206            0   -8004.5673    11852.589    21362.087 
-    1600          300   -8033.2471            0   -7997.4937    11298.745    21492.782 
-    1700          300   -8030.6375            0   -7994.8842     10850.43     21610.04 
-    1800          300   -8035.1631            0   -7999.4097    9985.6107    21734.628 
-    1900    308.56562   -8040.1954            0   -8003.4213    9865.7107    21859.215 
-    2000          300   -8030.1651            0   -7994.4117    11817.502    21980.138 
-    2100          300   -8031.6147            0   -7995.8613    12791.357    22101.061 
-    2200          300   -8033.7793            0   -7998.0259    13823.043    22234.198 
-    2300          300   -8040.5964            0   -8004.8431    16204.549    22350.236 
-    2400    309.42867   -8045.9414            0   -8009.0644    18506.386    22465.051 
-    2500          300   -8054.2629            0   -8018.5095    20099.612    22593.303 
-    2600          300   -8054.9562            0   -8019.2028    20036.318    22721.555 
-    2700          300   -8051.4788            0   -8015.7254    16993.437    22844.921 
-    2800          300   -8050.6908            0   -8014.9374    9048.5896    22964.622 
-    2900    309.90783   -8044.3096            0   -8007.3754    5017.0198    23080.659 
-    3000          300   -8035.8165            0   -8000.0632    2084.8999     23207.69 
-Loop time of 13.4901 on 4 procs for 3000 steps with 1912 atoms
+    1300          300   -8066.6742            0   -8030.9208    10834.324    21128.791 
+    1400          300   -8050.8799            0   -8015.1265    10842.369    21257.043 
+    1500          300   -8040.3207            0   -8004.5673    11852.581    21362.087 
+    1600          300   -8033.2463            0    -7997.493    11298.907    21492.782 
+    1700          300   -8030.6375            0   -7994.8841     10850.25     21610.04 
+    1800          300   -8035.1637            0   -7999.4104    9985.4993    21734.628 
+    1900    308.60398   -8040.1957            0    -8003.417    9865.6907    21859.215 
+    2000          300   -8030.1598            0   -7994.4064    11817.286    21980.138 
+    2100          300    -8031.581            0   -7995.8276    12782.733    22101.061 
+    2200          300    -8033.981            0   -7998.2276    13853.626    22220.762 
+    2300          300   -8040.0125            0   -8004.2591     16329.98    22350.236 
+    2400     308.4546   -8046.1468            0   -8009.3859    18839.675    22467.494 
+    2500          300    -8051.022            0   -8015.2686    19977.441    22598.189 
+    2600          300   -8049.9219            0   -8014.1686    20982.796    22720.333 
+    2700          300   -8047.5121            0   -8011.7587    17432.464    22833.928 
+    2800          300   -8047.4546            0   -8011.7013    10733.925    22967.065 
+    2900    303.07072   -8039.2015            0   -8003.0822    6498.2787    23079.438 
+    3000          300   -8033.2092            0   -7997.4558    2413.3858    23210.132 
+Loop time of 11.5481 on 4 procs for 3000 steps with 1912 atoms
 
-Performance: 19.214 ns/day, 1.249 hours/ns, 222.386 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 22.445 ns/day, 1.069 hours/ns, 259.782 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 12.851     | 12.919     | 12.945     |   1.1 | 95.76
-Neigh   | 0.20449    | 0.20777    | 0.21169    |   0.6 |  1.54
-Comm    | 0.27479    | 0.30264    | 0.36667    |   6.8 |  2.24
-Output  | 0.0010171  | 0.0010971  | 0.0012388  |   0.3 |  0.01
-Modify  | 0.033248   | 0.033878   | 0.034567   |   0.3 |  0.25
-Other   |            | 0.02594    |            |       |  0.19
+Pair    | 10.828     | 10.919     | 11.062     |   2.7 | 94.55
+Neigh   | 0.19748    | 0.20277    | 0.20818    |   0.9 |  1.76
+Comm    | 0.21506    | 0.36705    | 0.46467    |  15.6 |  3.18
+Output  | 0.0008328  | 0.0015925  | 0.0038536  |   3.3 |  0.01
+Modify  | 0.030773   | 0.031848   | 0.033535   |   0.6 |  0.28
+Other   |            | 0.02569    |            |       |  0.22
 
-Nlocal:    478 ave 506 max 450 min
+Nlocal:    478 ave 499 max 457 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    790.5 ave 822 max 751 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    5829.5 ave 6014 max 5672 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-FullNghs:  11659 ave 12027 max 11320 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    796.5 ave 832 max 755 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Neighs:    5807.25 ave 5840 max 5774 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+FullNghs:  11614.5 ave 11687 max 11558 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
 
-Total # of neighbors = 46636
-Ave neighs/atom = 24.3912
-Neighbor list builds = 220
+Total # of neighbors = 46458
+Ave neighs/atom = 24.2981
+Neighbor list builds = 218
 Dangerous builds = 0
-Total wall time: 0:00:13
+Total wall time: 0:00:11

From 074a9663cba7c727eebe0e237ac6e620451a5a15 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 14:05:28 -0500
Subject: [PATCH 229/273] update log files for melt and micelle example

---
 ...ct16.melt.g++.1 => log.27Nov18.melt.g++.1} |  33 ++-
 ...ct16.melt.g++.4 => log.27Nov18.melt.g++.4} |  33 ++-
 examples/micelle/log.27Nov18.micelle.g++.1    | 255 ++++++++++++++++++
 examples/micelle/log.27Nov18.micelle.g++.4    | 255 ++++++++++++++++++
 examples/micelle/log.5Oct16.micelle.g++.1     | 244 -----------------
 examples/micelle/log.5Oct16.micelle.g++.4     | 244 -----------------
 6 files changed, 550 insertions(+), 514 deletions(-)
 rename examples/melt/{log.5Oct16.melt.g++.1 => log.27Nov18.melt.g++.1} (66%)
 rename examples/melt/{log.5Oct16.melt.g++.4 => log.27Nov18.melt.g++.4} (66%)
 create mode 100644 examples/micelle/log.27Nov18.micelle.g++.1
 create mode 100644 examples/micelle/log.27Nov18.micelle.g++.4
 delete mode 100644 examples/micelle/log.5Oct16.micelle.g++.1
 delete mode 100644 examples/micelle/log.5Oct16.micelle.g++.4

diff --git a/examples/melt/log.5Oct16.melt.g++.1 b/examples/melt/log.27Nov18.melt.g++.1
similarity index 66%
rename from examples/melt/log.5Oct16.melt.g++.1
rename to examples/melt/log.27Nov18.melt.g++.1
index b4aefdceb4..69b39e6011 100644
--- a/examples/melt/log.5Oct16.melt.g++.1
+++ b/examples/melt/log.27Nov18.melt.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000645638 secs
 mass		1 1.0
 
 velocity	all create 3.0 87287
@@ -35,13 +37,18 @@ fix		1 all nve
 thermo		50
 run		250
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.19271 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
@@ -49,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
      200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
      250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
-Loop time of 0.724365 on 1 procs for 250 steps with 4000 atoms
+Loop time of 0.729809 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 149096.106 tau/day, 345.130 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 147983.915 tau/day, 342.555 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.61654    | 0.61654    | 0.61654    |   0.0 | 85.11
-Neigh   | 0.081313   | 0.081313   | 0.081313   |   0.0 | 11.23
-Comm    | 0.010941   | 0.010941   | 0.010941   |   0.0 |  1.51
-Output  | 9.4891e-05 | 9.4891e-05 | 9.4891e-05 |   0.0 |  0.01
-Modify  | 0.012401   | 0.012401   | 0.012401   |   0.0 |  1.71
-Other   |            | 0.003077   |            |       |  0.42
+Pair    | 0.60661    | 0.60661    | 0.60661    |   0.0 | 83.12
+Neigh   | 0.092198   | 0.092198   | 0.092198   |   0.0 | 12.63
+Comm    | 0.013581   | 0.013581   | 0.013581   |   0.0 |  1.86
+Output  | 0.0001452  | 0.0001452  | 0.0001452  |   0.0 |  0.02
+Modify  | 0.014395   | 0.014395   | 0.014395   |   0.0 |  1.97
+Other   |            | 0.002878   |            |       |  0.39
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/melt/log.5Oct16.melt.g++.4 b/examples/melt/log.27Nov18.melt.g++.4
similarity index 66%
rename from examples/melt/log.5Oct16.melt.g++.4
rename to examples/melt/log.27Nov18.melt.g++.4
index 0335725187..927895b1cd 100644
--- a/examples/melt/log.5Oct16.melt.g++.4
+++ b/examples/melt/log.27Nov18.melt.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.00041604 secs
 mass		1 1.0
 
 velocity	all create 3.0 87287
@@ -35,13 +37,18 @@ fix		1 all nve
 thermo		50
 run		250
 Neighbor list info ...
-  1 neighbor list requests
   update every 20 steps, delay 0 steps, check no
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.10344 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
@@ -49,20 +56,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
      200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
      250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
-Loop time of 0.210997 on 4 procs for 250 steps with 4000 atoms
+Loop time of 0.223329 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 511855.365 tau/day, 1184.850 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 483592.231 tau/day, 1119.426 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.15475    | 0.16099    | 0.1682     |   1.2 | 76.30
-Neigh   | 0.020829   | 0.021108   | 0.021522   |   0.2 | 10.00
-Comm    | 0.01674    | 0.024412   | 0.030987   |   3.3 | 11.57
-Output  | 0.00011587 | 0.0001238  | 0.00013185 |   0.1 |  0.06
-Modify  | 0.0031242  | 0.0031361  | 0.0031476  |   0.0 |  1.49
-Other   |            | 0.001227   |            |       |  0.58
+Pair    | 0.15881    | 0.16314    | 0.16859    |   0.9 | 73.05
+Neigh   | 0.02472    | 0.025218   | 0.025828   |   0.3 | 11.29
+Comm    | 0.025185   | 0.030091   | 0.034351   |   1.9 | 13.47
+Output  | 0.00015163 | 0.00019169 | 0.00030899 |   0.0 |  0.09
+Modify  | 0.0037532  | 0.0038366  | 0.0040054  |   0.2 |  1.72
+Other   |            | 0.00085    |            |       |  0.38
 
 Nlocal:    1000 ave 1010 max 982 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
diff --git a/examples/micelle/log.27Nov18.micelle.g++.1 b/examples/micelle/log.27Nov18.micelle.g++.1
new file mode 100644
index 0000000000..30a965e041
--- /dev/null
+++ b/examples/micelle/log.27Nov18.micelle.g++.1
@@ -0,0 +1,255 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.799 | 3.799 | 3.799 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
+     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
+     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
+     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
+     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
+     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
+     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
+     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
+     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
+     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
+     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
+     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
+     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
+     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
+     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
+     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
+     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
+     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
+     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
+    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
+Loop time of 0.167265 on 1 procs for 1000 steps with 1200 atoms
+
+Performance: 2582728.958 tau/day, 5978.539 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.096171   | 0.096171   | 0.096171   |   0.0 | 57.50
+Bond    | 0.006212   | 0.006212   | 0.006212   |   0.0 |  3.71
+Neigh   | 0.024826   | 0.024826   | 0.024826   |   0.0 | 14.84
+Comm    | 0.0047672  | 0.0047672  | 0.0047672  |   0.0 |  2.85
+Output  | 0.00029063 | 0.00029063 | 0.00029063 |   0.0 |  0.17
+Modify  | 0.028771   | 0.028771   | 0.028771   |   0.0 | 17.20
+Other   |            | 0.006227   |            |       |  3.72
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    195 ave 195 max 195 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3136 ave 3136 max 3136 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3136
+Ave neighs/atom = 2.61333
+Ave special neighs/atom = 0.5
+Neighbor list builds = 92
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		1000
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+run		60000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.024 | 4.024 | 4.024 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
+    1000         0.45   -1.9727655  0.058608715   -1.4645318    1.9982298 
+    2000   0.46465361   -1.9897467  0.067008449   -1.4584719    1.5873463 
+    3000   0.46175071   -2.0129279  0.057865385   -1.4936966      1.41269 
+    4000   0.44386154   -2.0280304  0.067167835   -1.5173709    1.4022093 
+    5000   0.46127582   -2.0556041  0.068318674    -1.526394    1.1416711 
+    6000   0.45354052   -2.0463246   0.05461954   -1.5385425    1.1650258 
+    7000   0.44082313    -2.040263  0.060218047   -1.5395891    1.3258681 
+    8000   0.44353466   -2.0423792  0.061769402   -1.5374447    1.2696989 
+    9000   0.46192977   -2.0761348  0.064999109   -1.5495908    0.9205826 
+   10000   0.45278646   -2.0589872  0.059623919   -1.5469542     1.075581 
+   11000   0.45583355   -2.0661957  0.058197558   -1.5525445     1.127643 
+   12000   0.45881198   -2.0921508  0.066937896   -1.5667833   0.98383574 
+   13000   0.45339481    -2.079088   0.06292782   -1.5631432    1.0188637 
+   14000   0.43601312   -2.0624084  0.057999616    -1.568759    1.1452177 
+   15000   0.45941503   -2.0746606  0.062523373    -1.553105   0.86928343 
+   16000         0.45   -2.0743162   0.05517924    -1.569512   0.86849848 
+   17000   0.45603004   -2.0657683  0.058711872   -1.5514064   0.95544551 
+   18000   0.45320383   -2.1009711  0.060716634   -1.5874283    0.8343521 
+   19000   0.44072983   -2.0846408  0.062893297    -1.581385   0.90776246 
+   20000   0.44452441   -2.0921415  0.060341571    -1.587646   0.98180005 
+   21000   0.45964557   -2.0837047  0.054459432   -1.5699827    1.0213779 
+   22000   0.46351849   -2.1053613  0.058392027   -1.5838371   0.81579487 
+   23000   0.45576065   -2.1001888  0.057646538   -1.5871614   0.76090085 
+   24000   0.44671746   -2.0848717  0.058192801   -1.5803337   0.77003809 
+   25000   0.44371239   -2.0870872  0.054804981   -1.5889396   0.92295746 
+   26000   0.45381188    -2.097021  0.057195346    -1.586392    0.7743058 
+   27000   0.46158533   -2.1071056  0.061289644   -1.5846153   0.78981802 
+   28000   0.46534671   -2.1056151  0.054934755   -1.5857214   0.80778664 
+   29000    0.4505804   -2.0949318  0.065503451   -1.5792234   0.78274755 
+   30000   0.45730883   -2.1029161  0.063461968   -1.5825264   0.82507857 
+   31000    0.4620071   -2.1124989  0.059980378   -1.5908964   0.78583986 
+   32000   0.46934619   -2.1107818  0.056442616   -1.5853842   0.70535653 
+   33000   0.45800203   -2.1062502  0.054317859    -1.594312     0.726293 
+   34000   0.44634295    -2.110401  0.057764968    -1.606665   0.85401059 
+   35000    0.4431929   -2.1274759  0.062048133   -1.6226042   0.64243758 
+   36000   0.46049645   -2.1300979  0.068463634   -1.6015216   0.57252544 
+   37000   0.45366344   -2.0977407  0.053788554   -1.5906668   0.78046879 
+   38000   0.44155077   -2.1166674  0.056888683   -1.6185959   0.53429042 
+   39000   0.45631012    -2.096949   0.04860872   -1.5924104   0.86494908 
+   40000   0.44684402   -2.1229137  0.067190397   -1.6092516   0.65110818 
+   41000    0.4479377   -2.1105264  0.059375259   -1.6035867   0.79092862 
+   42000   0.46143191   -2.1174539  0.057418393   -1.5989882   0.69762908 
+   43000    0.4356786    -2.085826  0.056534028   -1.5939764   0.89541946 
+   44000   0.45806826    -2.126423  0.060905733   -1.6078307   0.66389027 
+   45000   0.44343688   -2.1116384  0.065870114    -1.602701   0.83947585 
+   46000   0.43844672   -2.1096265  0.064158652   -1.6073865   0.77278902 
+   47000   0.45794928   -2.1142786  0.058919562   -1.5977914   0.62611933 
+   48000   0.45412335   -2.1106058  0.059153304   -1.5977076   0.66190677 
+   49000   0.45927883   -2.1197656  0.068354598   -1.5925149   0.56008845 
+   50000   0.44117285   -2.1020783  0.064763249   -1.5965099   0.85935147 
+   51000   0.45325398   -2.1125154  0.062295387   -1.5973438   0.80951782 
+   52000   0.43896579   -2.1039004  0.057475908   -1.6078245   0.84753768 
+   53000   0.45180671   -2.1092446  0.063528598   -1.5942857   0.67065038 
+   54000    0.4554341   -2.1185135  0.059603337   -1.6038556   0.76399618 
+   55000   0.43861159   -2.0986406  0.057733879   -1.6026606   0.77334084 
+   56000   0.45522991   -2.1207166  0.063287543   -1.6025785   0.78669598 
+   57000   0.46125513   -2.1150202   0.06026261   -1.5938868   0.78148646 
+   58000   0.45236938   -2.1088894  0.062678374   -1.5942186   0.75643518 
+   59000   0.43927269   -2.1274165  0.055355076   -1.6331548   0.63495311 
+   60000   0.45331102   -2.1336193  0.051244399   -1.6294416   0.56706921 
+Loop time of 13.9361 on 1 procs for 60000 steps with 1200 atoms
+
+Performance: 1859917.639 tau/day, 4305.365 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 9.2211     | 9.2211     | 9.2211     |   0.0 | 66.17
+Bond    | 0.33763    | 0.33763    | 0.33763    |   0.0 |  2.42
+Neigh   | 2.3772     | 2.3772     | 2.3772     |   0.0 | 17.06
+Comm    | 0.37693    | 0.37693    | 0.37693    |   0.0 |  2.70
+Output  | 0.0011795  | 0.0011795  | 0.0011795  |   0.0 |  0.01
+Modify  | 1.2727     | 1.2727     | 1.2727     |   0.0 |  9.13
+Other   |            | 0.3493     |            |       |  2.51
+
+Nlocal:    1200 ave 1200 max 1200 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    405 ave 405 max 405 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    9565 ave 9565 max 9565 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 9565
+Ave neighs/atom = 7.97083
+Ave special neighs/atom = 0.5
+Neighbor list builds = 4876
+Dangerous builds = 0
+Total wall time: 0:00:14
diff --git a/examples/micelle/log.27Nov18.micelle.g++.4 b/examples/micelle/log.27Nov18.micelle.g++.4
new file mode 100644
index 0000000000..c9509df4b2
--- /dev/null
+++ b/examples/micelle/log.27Nov18.micelle.g++.4
@@ -0,0 +1,255 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d micelle simulation
+
+dimension	2
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+atom_style	bond
+
+# Soft potential push-off
+
+read_data	data.micelle
+  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1200 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  300 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+
+pair_style	soft 1.12246
+pair_coeff	* * 0.0 1.12246
+
+bond_style 	harmonic
+bond_coeff	1 50.0 0.75
+
+velocity	all create 0.45 2349852
+
+variable	prefactor equal ramp(1.0,20.0)
+
+fix		1 all nve
+fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
+fix		3 all adapt 1 pair soft a * * v_prefactor
+fix		4 all enforce2d
+
+thermo		50
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.42246
+  ghost atom cutoff = 1.42246
+  binsize = 0.71123, bins = 51 51 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair soft, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.758 | 3.85 | 4.126 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
+      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
+     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
+     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
+     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
+     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
+     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
+     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
+     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
+     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
+     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
+     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
+     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
+     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
+     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
+     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
+     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
+     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
+     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
+     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
+    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
+Loop time of 0.0641922 on 4 procs for 1000 steps with 1200 atoms
+
+Performance: 6729792.131 tau/day, 15578.223 timesteps/s
+90.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.020663   | 0.021445   | 0.022477   |   0.5 | 33.41
+Bond    | 0.0014422  | 0.0015128  | 0.001569   |   0.1 |  2.36
+Neigh   | 0.0067129  | 0.0067645  | 0.0068202  |   0.1 | 10.54
+Comm    | 0.018454   | 0.019275   | 0.020386   |   0.5 | 30.03
+Output  | 0.00038171 | 0.00040019 | 0.00044632 |   0.0 |  0.62
+Modify  | 0.010561   | 0.010904   | 0.011309   |   0.3 | 16.99
+Other   |            | 0.003891   |            |       |  6.06
+
+Nlocal:    300 ave 305 max 292 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Nghost:    100.25 ave 108 max 93 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Neighs:    784 ave 815 max 739 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+
+Total # of neighbors = 3136
+Ave neighs/atom = 2.61333
+Ave special neighs/atom = 0.5
+Neighbor list builds = 92
+Dangerous builds = 0
+
+unfix		3
+
+# Main run
+
+pair_style	lj/cut 2.5
+
+# solvent/head - full-size and long-range
+
+pair_coeff	1 1 1.0 1.0 2.5
+pair_coeff	2 2 1.0 1.0 2.5
+pair_coeff	1 2 1.0 1.0 2.5
+
+# tail/tail - size-averaged and long-range
+
+pair_coeff	3 3 1.0 0.75 2.5
+pair_coeff	4 4 1.0 0.50 2.5
+pair_coeff	3 4 1.0 0.67 2.5
+
+# solvent/tail - full-size and repulsive
+
+pair_coeff	1 3 1.0 1.0 1.12246
+pair_coeff	1 4 1.0 1.0 1.12246
+
+# head/tail - size-averaged and repulsive
+
+pair_coeff	2 3 1.0 0.88 1.12246
+pair_coeff	2 4 1.0 0.75 1.12246
+
+thermo		1000
+
+#dump		1 all atom 2000 dump.micelle
+
+#dump		2 all image 2000 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+#dump		3 all movie 2000 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
+
+reset_timestep	0
+run		60000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 26 26 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.001 | 4.032 | 4.124 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
+    1000         0.45   -1.9727661   0.05860859   -1.4645325    1.9982402 
+    2000   0.45146247   -1.9766043  0.059408886   -1.4661092    1.7398826 
+    3000   0.43338517   -2.0028125  0.059884381   -1.5099041    1.4716488 
+    4000   0.46674519   -2.0200954  0.066548679   -1.4871905    1.2506693 
+    5000         0.45   -2.0207125  0.055926205   -1.5151613    1.3047457 
+    6000   0.45447759   -2.0585234  0.068004883   -1.5364197    1.1859762 
+    7000   0.43183018   -2.0170545  0.060800296   -1.5247839    1.3074223 
+    8000   0.46657547    -2.053224  0.063224367    -1.523813    1.1785643 
+    9000         0.45   -2.0691221  0.054959029    -1.564538    1.1833657 
+   10000    0.4428252   -2.0473987  0.054306905   -1.5506356     1.181794 
+   11000   0.45407036   -2.0746151  0.065849667   -1.5550734    1.1008545 
+   12000   0.46061944   -2.0580809  0.063129643   -1.5347156    1.0206491 
+   13000   0.45159068   -2.0640832  0.060059758   -1.5528091    1.0813494 
+   14000   0.44141594   -2.0467255  0.062785088   -1.5428923    1.1465772 
+   15000     0.454361   -2.0908595  0.057471037   -1.5794061   0.84297781 
+   16000   0.44061091   -2.0521452  0.064644196   -1.5472573    1.1478647 
+   17000   0.45118383    -2.081348  0.058660999   -1.5718791    1.0101404 
+   18000   0.44664866   -2.0845745  0.060435731   -1.5778623   0.96142277 
+   19000   0.45515339   -2.0914006  0.062174016   -1.5744525   0.87623323 
+   20000   0.45624408   -2.0837697  0.059263054   -1.5686428   0.92810644 
+   21000   0.46791657   -2.1062007  0.067355929   -1.5713181   0.88318793 
+   22000   0.43907391   -2.1005271  0.065885144   -1.5959339   0.77211644 
+   23000   0.43967354   -2.0723459  0.057613471   -1.5754253    1.0371548 
+   24000   0.45716384   -2.0987126  0.055157377   -1.5867723   0.89670061 
+   25000   0.45828285   -2.1041616  0.057736138   -1.5885245   0.79952286 
+   26000         0.45   -2.0743463  0.072455519   -1.5522658   0.88260204 
+   27000   0.46581599   -2.0804974  0.058113258   -1.5569564   0.93053891 
+   28000   0.46904194   -2.0920124  0.059748792   -1.5636125   0.79359618 
+   29000   0.46093196    -2.118556  0.063942334   -1.5940659   0.67707604 
+   30000   0.45733724   -2.1197827  0.066939064   -1.5958875   0.66886075 
+   31000   0.44580762   -2.0977175  0.056969121   -1.5953123   0.81042562 
+   32000   0.44403029   -2.1032264  0.063465127    -1.596101   0.71796412 
+   33000   0.45834072   -2.0934132  0.066035391    -1.569419   0.77873998 
+   34000   0.44981563   -2.0910902   0.07138738   -1.5702621   0.75679805 
+   35000   0.45383392   -2.0926654  0.067553478   -1.5716562    0.9064517 
+   36000   0.44447198   -2.1107114  0.062718917   -1.6038909    0.8538349 
+   37000   0.45838527   -2.1166464  0.062442606   -1.5962005    0.7300635 
+   38000   0.45014075   -2.1096258  0.059293718   -1.6005665   0.73988246 
+   39000   0.44377026    -2.080309  0.063545781   -1.5733628   0.99775641 
+   40000   0.44577324   -2.1134607  0.065271179   -1.6027878   0.64113168 
+   41000         0.45   -2.0937983  0.060881377   -1.5832919   0.78849829 
+   42000   0.46866695   -2.1142283  0.056417605   -1.5895343   0.73788436 
+   43000   0.43211727   -2.0819893  0.061463358   -1.5887688   0.95853724 
+   44000   0.44138397   -2.0921314  0.059643895   -1.5914713   0.89486208 
+   45000         0.45    -2.117209  0.054804331   -1.6127797   0.78564885 
+   46000   0.44285245   -2.1090975  0.057629006   -1.6089851   0.64549424 
+   47000   0.45537009   -2.1164296  0.068582324   -1.5928567   0.73629413 
+   48000   0.45046732   -2.1006362  0.057249591   -1.5932947   0.74317593 
+   49000   0.45425966   -2.1191703  0.064247719   -1.6010414   0.70962368 
+   50000   0.45506149   -2.1184671  0.064911797   -1.5988731   0.69958156 
+   51000   0.46047417   -2.1019719  0.058468259   -1.5834132   0.87219271 
+   52000   0.43808317    -2.092294  0.057280941    -1.597295   0.84156893 
+   53000   0.45012337   -2.1175234  0.064002667   -1.6037725   0.64562439 
+   54000   0.43854679   -2.1236444  0.061316257   -1.6241468   0.72478117 
+   55000   0.46382438   -2.1016563  0.060724666   -1.5774938   0.83311209 
+   56000   0.44951533   -2.0946157  0.055075217   -1.5903998   0.90066109 
+   57000   0.45937401   -2.0983442  0.061558996    -1.577794   0.58606161 
+   58000     0.446669   -2.1146838  0.062385166   -1.6060019   0.73443388 
+   59000   0.43847747   -2.1197461  0.060460257   -1.6211738    0.7230937 
+   60000   0.45294215   -2.1258513  0.061895006   -1.6113915   0.70722168 
+Loop time of 4.56226 on 4 procs for 60000 steps with 1200 atoms
+
+Performance: 5681397.232 tau/day, 13151.382 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.2114     | 2.2527     | 2.3592     |   4.1 | 49.38
+Bond    | 0.083713   | 0.09234    | 0.10244    |   2.3 |  2.02
+Neigh   | 0.72491    | 0.7277     | 0.72957    |   0.2 | 15.95
+Comm    | 0.79464    | 0.90036    | 0.94957    |   6.5 | 19.74
+Output  | 0.0014119  | 0.0024976  | 0.0057502  |   3.8 |  0.05
+Modify  | 0.33757    | 0.35202    | 0.36946    |   2.1 |  7.72
+Other   |            | 0.2346     |            |       |  5.14
+
+Nlocal:    300 ave 306 max 289 min
+Histogram: 1 0 0 0 0 0 0 1 1 1
+Nghost:    227.25 ave 250 max 216 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+Neighs:    2373.25 ave 2489 max 2283 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+
+Total # of neighbors = 9493
+Ave neighs/atom = 7.91083
+Ave special neighs/atom = 0.5
+Neighbor list builds = 4888
+Dangerous builds = 0
+Total wall time: 0:00:04
diff --git a/examples/micelle/log.5Oct16.micelle.g++.1 b/examples/micelle/log.5Oct16.micelle.g++.1
deleted file mode 100644
index 5dfc652d68..0000000000
--- a/examples/micelle/log.5Oct16.micelle.g++.1
+++ /dev/null
@@ -1,244 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d micelle simulation
-
-dimension	2
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-atom_style	bond
-
-# Soft potential push-off
-
-read_data	data.micelle
-  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  1200 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  300 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-pair_style	soft 1.12246
-pair_coeff	* * 0.0 1.12246
-
-bond_style 	harmonic
-bond_coeff	1 50.0 0.75
-
-velocity	all create 0.45 2349852
-
-variable	prefactor equal ramp(1.0,20.0)
-
-fix		1 all nve
-fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
-fix		3 all adapt 1 pair soft a * * v_prefactor
-fix		4 all enforce2d
-
-thermo		50
-run		1000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.42246
-  ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 51 51 1
-Memory usage per processor = 3.45296 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
-      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
-     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
-     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
-     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
-     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
-     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
-     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
-     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
-     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
-     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
-     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
-     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
-     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
-     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
-     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
-     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
-     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
-     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
-     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
-    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
-Loop time of 0.192637 on 1 procs for 1000 steps with 1200 atoms
-
-Performance: 2242560.228 tau/day, 5191.112 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.13348    | 0.13348    | 0.13348    |   0.0 | 69.29
-Bond    | 0.0066328  | 0.0066328  | 0.0066328  |   0.0 |  3.44
-Neigh   | 0.023894   | 0.023894   | 0.023894   |   0.0 | 12.40
-Comm    | 0.0032849  | 0.0032849  | 0.0032849  |   0.0 |  1.71
-Output  | 0.00019765 | 0.00019765 | 0.00019765 |   0.0 |  0.10
-Modify  | 0.020029   | 0.020029   | 0.020029   |   0.0 | 10.40
-Other   |            | 0.005115   |            |       |  2.66
-
-Nlocal:    1200 ave 1200 max 1200 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    195 ave 195 max 195 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3136 ave 3136 max 3136 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3136
-Ave neighs/atom = 2.61333
-Ave special neighs/atom = 0.5
-Neighbor list builds = 92
-Dangerous builds = 0
-
-unfix		3
-
-# Main run
-
-pair_style	lj/cut 2.5
-
-# solvent/head - full-size and long-range
-
-pair_coeff	1 1 1.0 1.0 2.5
-pair_coeff	2 2 1.0 1.0 2.5
-pair_coeff	1 2 1.0 1.0 2.5
-
-# tail/tail - size-averaged and long-range
-
-pair_coeff	3 3 1.0 0.75 2.5
-pair_coeff	4 4 1.0 0.50 2.5
-pair_coeff	3 4 1.0 0.67 2.5
-
-# solvent/tail - full-size and repulsive
-
-pair_coeff	1 3 1.0 1.0 1.12246
-pair_coeff	1 4 1.0 1.0 1.12246
-
-# head/tail - size-averaged and repulsive
-
-pair_coeff	2 3 1.0 0.88 1.12246
-pair_coeff	2 4 1.0 0.75 1.12246
-
-thermo		1000
-
-#dump		1 all atom 2000 dump.micelle
-
-#dump		2 all image 2000 image.*.jpg type type zoom 1.6
-#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-#dump		3 all movie 2000 movie.mpg type type zoom 1.6
-#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-reset_timestep	0
-run		60000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 26 26 1
-Memory usage per processor = 3.45296 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
-    1000         0.45   -1.9727655  0.058608718   -1.4645318    1.9982299 
-    2000    0.4661092   -1.9963233  0.067084121   -1.4635184    1.5676107 
-    3000   0.44946688   -2.0126501  0.070702998   -1.4928548    1.5636132 
-    4000   0.45269674   -1.9944702   0.05825464   -1.4838961    1.6015127 
-    5000   0.46281924   -2.0302807  0.058318349   -1.5095288    1.3929421 
-    6000   0.45409991   -2.0339156  0.061724414   -1.5184697    1.1978692 
-    7000   0.44058968   -2.0436374  0.060141133   -1.5432738    1.1877802 
-    8000    0.4429781   -2.0508103  0.061300632   -1.5469007    1.1825472 
-    9000   0.44909024   -2.0620769  0.063430248   -1.5499306    1.1841529 
-   10000   0.44709728   -2.0337047  0.059176633   -1.5278033    1.1906481 
-   11000   0.46222813   -2.0666276  0.053626157   -1.5511585   0.99322264 
-   12000   0.45722371   -2.0527602  0.062728903   -1.5331886    1.1135813 
-   13000   0.44844353   -2.0672473   0.07057216   -1.5486053    0.9416127 
-   14000   0.44211202   -2.0804052  0.056164487   -1.5824971   0.99700319 
-   15000   0.45659943   -2.0711771  0.059428792   -1.5555294    1.1123211 
-   16000   0.45113626   -2.0895625  0.057848795   -1.5809534    1.0015991 
-   17000   0.44423013   -2.0840859   0.06718595     -1.57304   0.92034012 
-   18000   0.45279338   -2.0644167  0.058541719   -1.5534589    1.1560585 
-   19000   0.44673847   -2.0729637  0.061474462    -1.565123   0.99627228 
-   20000   0.44428193   -2.0937135  0.066588799    -1.583213   0.86154418 
-   21000   0.45902797   -2.0821041  0.057286828   -1.5661718   0.76853595 
-   22000   0.45733559   -2.0962718  0.064103239   -1.5752141   0.90967955 
-   23000   0.44617227    -2.070896  0.061562573   -1.5635329   0.92864876 
-   24000   0.45569898   -2.0843503  0.061015469   -1.5680156   0.90170833 
-   25000   0.45952666   -2.0892064  0.058901296   -1.5711614    0.9123274 
-   26000   0.44773853   -2.0896169  0.065994021   -1.5762575    0.8887526 
-   27000   0.43541542   -2.0893237  0.060387783   -1.5938834   0.97604018 
-   28000   0.44025187   -2.0937721  0.066174764   -1.5877124   0.98394478 
-   29000   0.44695847   -2.0966733  0.064980967   -1.5851064   0.78278706 
-   30000   0.44848319   -2.1017012  0.053308469   -1.6002833   0.85185298 
-   31000   0.45215181   -2.0927324  0.057875178   -1.5830822   0.77068692 
-   32000   0.44586981   -2.0962193  0.056970051    -1.593751   0.85672441 
-   33000   0.43591379   -2.1069871  0.064934652   -1.6065019   0.87081371 
-   34000   0.44153683   -2.0967535  0.061537811   -1.5940468   0.75497708 
-   35000   0.45482946   -2.1045277  0.060250612   -1.5898266   0.80290163 
-   36000         0.45   -2.1154856  0.052206018   -1.6136546   0.67520748 
-   37000   0.44973679   -2.1076496  0.067371347   -1.5909163   0.83319072 
-   38000   0.45549751   -2.1044983  0.061863351    -1.587517    0.6786145 
-   39000   0.43927254   -2.1159446  0.057855173   -1.6191829   0.66483475 
-   40000   0.43711657   -2.0941837  0.063039594   -1.5943918   0.90680301 
-   41000   0.43992749   -2.0931285  0.063772204   -1.5897954    0.7538478 
-   42000   0.44374588   -2.1029745  0.061963499   -1.5976349   0.74793466 
-   43000         0.45   -2.0916744  0.055058096   -1.5869913   0.86069235 
-   44000   0.45381626   -2.0984483  0.059995477   -1.5850147   0.74948091 
-   45000   0.44547409   -2.1217483  0.058753101   -1.6178924   0.57348898 
-   46000   0.43283033   -2.1054695  0.059343099   -1.6136567   0.77490901 
-   47000   0.44310217   -2.1215687  0.066613901   -1.6122219   0.73014542 
-   48000   0.44611257    -2.118313   0.05944897   -1.6131232   0.59077782 
-   49000   0.44114725   -2.0911126  0.065639368   -1.5846936   0.78309201 
-   50000   0.44572124   -2.0892024  0.065540869   -1.5783117   0.87647821 
-   51000    0.4460699   -2.1142274  0.061090043   -1.6074391   0.61721581 
-   52000   0.44799203   -2.1122931  0.056821256   -1.6078531   0.70734576 
-   53000   0.44819437   -2.1098838  0.058117987   -1.6039449   0.71349136 
-   54000         0.45   -2.1384776  0.051012047   -1.6378405    0.4810217 
-   55000   0.43931842   -2.1053055  0.061275315   -1.6050778   0.58268948 
-   56000   0.44126963   -2.1133637  0.057474037   -1.6149877   0.68063945 
-   57000   0.45823746   -2.1205329  0.065224217   -1.5974531   0.73788456 
-   58000     0.437031   -2.0998724  0.051717885   -1.6114877   0.86071379 
-   59000   0.45070454   -2.1115874  0.053721754   -1.6075367   0.62358834 
-   60000   0.44181643   -2.1243164  0.060489492   -1.6223786    0.6992428 
-Loop time of 13.6136 on 1 procs for 60000 steps with 1200 atoms
-
-Performance: 1903978.372 tau/day, 4407.357 timesteps/s
-99.5% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 9.3684     | 9.3684     | 9.3684     |   0.0 | 68.82
-Bond    | 0.39461    | 0.39461    | 0.39461    |   0.0 |  2.90
-Neigh   | 2.211      | 2.211      | 2.211      |   0.0 | 16.24
-Comm    | 0.2552     | 0.2552     | 0.2552     |   0.0 |  1.87
-Output  | 0.00065112 | 0.00065112 | 0.00065112 |   0.0 |  0.00
-Modify  | 1.0819     | 1.0819     | 1.0819     |   0.0 |  7.95
-Other   |            | 0.3019     |            |       |  2.22
-
-Nlocal:    1200 ave 1200 max 1200 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    417 ave 417 max 417 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    9495 ave 9495 max 9495 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 9495
-Ave neighs/atom = 7.9125
-Ave special neighs/atom = 0.5
-Neighbor list builds = 4885
-Dangerous builds = 0
-Total wall time: 0:00:13
diff --git a/examples/micelle/log.5Oct16.micelle.g++.4 b/examples/micelle/log.5Oct16.micelle.g++.4
deleted file mode 100644
index 960489aad0..0000000000
--- a/examples/micelle/log.5Oct16.micelle.g++.4
+++ /dev/null
@@ -1,244 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d micelle simulation
-
-dimension	2
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-atom_style	bond
-
-# Soft potential push-off
-
-read_data	data.micelle
-  orthogonal box = (0 0 -0.1) to (35.8569 35.8569 0.1)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  1200 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  300 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-pair_style	soft 1.12246
-pair_coeff	* * 0.0 1.12246
-
-bond_style 	harmonic
-bond_coeff	1 50.0 0.75
-
-velocity	all create 0.45 2349852
-
-variable	prefactor equal ramp(1.0,20.0)
-
-fix		1 all nve
-fix		2 all temp/rescale 100 0.45 0.45 0.02 1.0
-fix		3 all adapt 1 pair soft a * * v_prefactor
-fix		4 all enforce2d
-
-thermo		50
-run		1000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.42246
-  ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 51 51 1
-Memory usage per processor = 3.55365 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   0.40003481 2.2200223e-06   0.84966203   0.78952518 
-      50   0.47411013   0.67721272  0.057404514    1.2083323    1.3375852 
-     100         0.45   0.73046745  0.054836584     1.234929    2.3196516 
-     150   0.67521742   0.72402001  0.043490075    1.4421648    2.8744416 
-     200         0.45   0.78481891  0.076931503    1.3113754    3.0412388 
-     250   0.66479018   0.69790602  0.081075564    1.4432178    3.6917024 
-     300         0.45   0.76820218  0.066727591    1.2845548    3.7861054 
-     350   0.67619136     0.625715  0.072722727    1.3740656    4.2861621 
-     400         0.45   0.68527759  0.090724527    1.2256271    4.4725214 
-     450   0.56702844   0.64402767  0.080555563    1.2911391    4.7402211 
-     500         0.45   0.64883009  0.078376672    1.1768318    4.7919294 
-     550     0.564664   0.58260368  0.080779475    1.2275766    4.9855705 
-     600         0.45   0.58193041  0.088386617     1.119942     5.131481 
-     650   0.52110993    0.5415273  0.097683746    1.1598867    5.2500294 
-     700         0.45   0.50856787  0.088471208    1.0466641    5.2550165 
-     750   0.51510855   0.47441291  0.089429375    1.0785216     5.375763 
-     800         0.45   0.49926696  0.085958476    1.0348504    5.4665914 
-     850   0.50688494   0.46614429  0.088962292    1.0615691     5.556932 
-     900         0.45   0.47785593   0.10150857    1.0289895    5.7765975 
-     950   0.49590559   0.46050477  0.096404887     1.052402    5.8649245 
-    1000         0.45   0.47691182   0.08808163    1.0146185    6.0177568 
-Loop time of 0.0670803 on 4 procs for 1000 steps with 1200 atoms
-
-Performance: 6440046.660 tau/day, 14907.515 timesteps/s
-98.4% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.033971   | 0.034628   | 0.036162   |   0.5 | 51.62
-Bond    | 0.001687   | 0.0017596  | 0.0018852  |   0.2 |  2.62
-Neigh   | 0.0068789  | 0.0069902  | 0.0070932  |   0.1 | 10.42
-Comm    | 0.011152   | 0.012883   | 0.013872   |   0.9 | 19.20
-Output  | 0.00035501 | 0.00038034 | 0.00044274 |   0.2 |  0.57
-Modify  | 0.0065997  | 0.0067009  | 0.0068605  |   0.1 |  9.99
-Other   |            | 0.003738   |            |       |  5.57
-
-Nlocal:    300 ave 305 max 292 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    100.25 ave 108 max 93 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Neighs:    784 ave 815 max 739 min
-Histogram: 1 0 0 0 0 0 1 1 0 1
-
-Total # of neighbors = 3136
-Ave neighs/atom = 2.61333
-Ave special neighs/atom = 0.5
-Neighbor list builds = 92
-Dangerous builds = 0
-
-unfix		3
-
-# Main run
-
-pair_style	lj/cut 2.5
-
-# solvent/head - full-size and long-range
-
-pair_coeff	1 1 1.0 1.0 2.5
-pair_coeff	2 2 1.0 1.0 2.5
-pair_coeff	1 2 1.0 1.0 2.5
-
-# tail/tail - size-averaged and long-range
-
-pair_coeff	3 3 1.0 0.75 2.5
-pair_coeff	4 4 1.0 0.50 2.5
-pair_coeff	3 4 1.0 0.67 2.5
-
-# solvent/tail - full-size and repulsive
-
-pair_coeff	1 3 1.0 1.0 1.12246
-pair_coeff	1 4 1.0 1.0 1.12246
-
-# head/tail - size-averaged and repulsive
-
-pair_coeff	2 3 1.0 0.88 1.12246
-pair_coeff	2 4 1.0 0.75 1.12246
-
-thermo		1000
-
-#dump		1 all atom 2000 dump.micelle
-
-#dump		2 all image 2000 image.*.jpg type type zoom 1.6
-#dump_modify	2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-#dump		3 all movie 2000 movie.mpg type type zoom 1.6
-#dump_modify	3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75
-
-reset_timestep	0
-run		60000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 26 26 1
-Memory usage per processor = 3.55365 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         0.45   -1.7056163   0.08808163   -1.1679097    3.9431686 
-    1000         0.45   -1.9727663  0.058608449   -1.4645328    1.9982389 
-    2000   0.45428051   -1.9704547  0.062434911   -1.4541178    1.7134222 
-    3000   0.46748648   -2.0088544  0.065086237   -1.4766712    1.4648627 
-    4000   0.45608936    -2.032563  0.057148422   -1.5197053    1.3833681 
-    5000   0.46134038   -2.0250107  0.061983009   -1.5020718    1.3378201 
-    6000   0.45254634   -2.0414745  0.071656389   -1.5176489    1.2670697 
-    7000   0.46380932   -2.0463598  0.060057501   -1.5228795    1.1029258 
-    8000   0.46495917   -2.0570216  0.058074076   -1.5343758    1.1187483 
-    9000   0.45771237   -2.0510911  0.061803881   -1.5319563    1.1540073 
-   10000         0.45   -2.0568306   0.06114562     -1.54606     1.128504 
-   11000   0.43977142   -2.0442503  0.061128391    -1.543717    1.2268919 
-   12000    0.4412548    -2.051046  0.065150223   -1.5450087    1.0681597 
-   13000   0.46384147   -2.0657072  0.064678941   -1.5375734   0.99078604 
-   14000   0.43330137   -2.0693058   0.06542588   -1.5709397    1.0252118 
-   15000   0.44825078    -2.078972  0.059800283   -1.5712944   0.76305383 
-   16000   0.45607271    -2.085101  0.058347214   -1.5710611   0.99903698 
-   17000   0.45329523   -2.0865426  0.057674526   -1.5759505   0.90245709 
-   18000   0.46719329    -2.076619  0.062698678   -1.5471164   0.95433376 
-   19000   0.45253889   -2.0741652   0.06154596   -1.5604575    1.0606446 
-   20000   0.43708811   -2.1005493  0.063453064   -1.6003723   0.65980174 
-   21000   0.43630563   -2.0780131   0.05595505    -1.586116   0.86690426 
-   22000   0.44050783   -2.0766368  0.057980992    -1.578515   0.99638367 
-   23000   0.44657992   -2.0731942  0.058890194   -1.5680963   0.92620975 
-   24000   0.45645869   -2.0957688  0.065464986   -1.5742255   0.88631971 
-   25000   0.46007071   -2.0928226  0.058133397   -1.5750019   0.75468418 
-   26000   0.46316546   -2.0945456  0.064110354   -1.5676557   0.84437166 
-   27000   0.44780223   -2.0966995  0.063284428    -1.585986   0.89645525 
-   28000   0.43945645   -2.0909433  0.062357411   -1.5894957   0.92336874 
-   29000   0.44332217   -2.0885003  0.063832997   -1.5817146   0.86508766 
-   30000   0.44865024   -2.0899642  0.057319345   -1.5843685   0.76862889 
-   31000   0.45702135   -2.0941006  0.059669304   -1.5777908   0.76171188 
-   32000   0.46630168   -2.1066612  0.051622888   -1.5891252   0.72214981 
-   33000   0.44966822   -2.1086408  0.061298737   -1.5980486    0.7056562 
-   34000   0.45599464     -2.11216  0.045835595   -1.6107098   0.75827582 
-   35000   0.44021366   -2.1082791  0.066290667   -1.6021416   0.85079438 
-   36000   0.46531913   -2.1228506  0.054779097   -1.6031402   0.60391389 
-   37000   0.44777064   -2.1193684  0.062074675   -1.6098962   0.68654583 
-   38000   0.46608897   -2.1243843  0.052889984   -1.6057938    0.6517974 
-   39000   0.44921432   -2.1050268  0.059790015   -1.5963968   0.74248261 
-   40000   0.44407222   -2.0930539  0.055687841   -1.5936639   0.69821332 
-   41000    0.4377755   -2.0929451  0.056403441    -1.599131   0.90040574 
-   42000   0.46403029   -2.1245032  0.058491534   -1.6023681    0.6984091 
-   43000   0.45456147   -2.0966395  0.055922733   -1.5865341   0.86499812 
-   44000   0.45619203   -2.1150101  0.054818604   -1.6043796   0.71197595 
-   45000   0.44806278   -2.1067617  0.057539822   -1.6015324    0.7644258 
-   46000   0.46326243   -2.1204997  0.060566953   -1.5970563   0.68822898 
-   47000   0.43464277   -2.1257611  0.069053137   -1.6224273   0.60024032 
-   48000   0.46986944   -2.1245871  0.058768355   -1.5963409   0.58191819 
-   49000    0.4428734   -2.1203847  0.059089451   -1.6187909   0.60806508 
-   50000   0.43813854     -2.12123  0.066218857   -1.6172377   0.42860822 
-   51000    0.4514578   -2.1304644  0.057932769     -1.62145   0.62355123 
-   52000   0.44155257   -2.1248047  0.062563155   -1.6210569   0.81276016 
-   53000    0.4467801   -2.1254575  0.056774655   -1.6222751    0.6115287 
-   54000   0.43972332   -2.1036785  0.061427338   -1.6028943   0.75225909 
-   55000   0.44933771    -2.104883  0.058556755   -1.5973629   0.75480805 
-   56000         0.45   -2.1212286  0.057392665    -1.614211   0.56759345 
-   57000   0.43127001   -2.0978236   0.04986292     -1.61705   0.71828346 
-   58000   0.43621486   -2.1097172  0.056706821    -1.617159   0.80497906 
-   59000   0.44446312   -2.1103931  0.055606397    -1.610694   0.79904859 
-   60000   0.43177211   -2.0985468  0.049687241   -1.6174473   0.81094066 
-Loop time of 4.56204 on 4 procs for 60000 steps with 1200 atoms
-
-Performance: 5681665.051 tau/day, 13152.002 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.3705     | 2.4423     | 2.4948     |   2.9 | 53.54
-Bond    | 0.084795   | 0.10292    | 0.11359    |   3.4 |  2.26
-Neigh   | 0.63938    | 0.64418    | 0.64857    |   0.4 | 14.12
-Comm    | 0.81947    | 0.8785     | 0.9618     |   5.7 | 19.26
-Output  | 0.0012863  | 0.0013551  | 0.0015438  |   0.3 |  0.03
-Modify  | 0.26717    | 0.27596    | 0.28816    |   1.5 |  6.05
-Other   |            | 0.2168     |            |       |  4.75
-
-Nlocal:    300 ave 305 max 293 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-Nghost:    211 ave 215 max 205 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Neighs:    2448.75 ave 2531 max 2414 min
-Histogram: 2 1 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 9795
-Ave neighs/atom = 8.1625
-Ave special neighs/atom = 0.5
-Neighbor list builds = 4880
-Dangerous builds = 0
-Total wall time: 0:00:04

From cef41644604ac1c94ff753e3771e898995e1429d Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 14:13:11 -0500
Subject: [PATCH 230/273] update log files for min, msst, nb3b, nemd, and
 obstacle examples

---
 ...in.box.g++.1 => log.27Nov18.min.box.g++.1} | 153 +++++++++---------
 ...in.box.g++.4 => log.27Nov18.min.box.g++.4} | 151 ++++++++---------
 ...5Oct16.min.g++.1 => log.27Nov18.min.g++.1} |  51 +++---
 ...5Oct16.min.g++.4 => log.27Nov18.min.g++.4} |  51 +++---
 ...ct16.msst.g++.1 => log.27Nov18.msst.g++.1} |  55 ++++---
 ...ct16.msst.g++.4 => log.27Nov18.msst.g++.4} |  53 +++---
 ...ct16.nb3b.g++.1 => log.27Nov18.nb3b.g++.1} |  90 ++++++-----
 ...ct16.nb3b.g++.4 => log.27Nov18.nb3b.g++.4} |  90 ++++++-----
 examples/nemd/log.27Nov18.nemd.g++.1          | 137 ++++++++++++++++
 examples/nemd/log.27Nov18.nemd.g++.4          | 137 ++++++++++++++++
 examples/nemd/log.5Oct16.nemd.g++.1           | 130 ---------------
 examples/nemd/log.5Oct16.nemd.g++.4           | 130 ---------------
 ...tacle.g++.1 => log.27Nov18.obstacle.g++.1} |  35 ++--
 ...tacle.g++.4 => log.27Nov18.obstacle.g++.4} |  35 ++--
 14 files changed, 698 insertions(+), 600 deletions(-)
 rename examples/min/{log.5Oct16.min.box.g++.1 => log.27Nov18.min.box.g++.1} (84%)
 rename examples/min/{log.5Oct16.min.box.g++.4 => log.27Nov18.min.box.g++.4} (84%)
 rename examples/min/{log.5Oct16.min.g++.1 => log.27Nov18.min.g++.1} (73%)
 rename examples/min/{log.5Oct16.min.g++.4 => log.27Nov18.min.g++.4} (71%)
 rename examples/msst/{log.5Oct16.msst.g++.1 => log.27Nov18.msst.g++.1} (79%)
 rename examples/msst/{log.5Oct16.msst.g++.4 => log.27Nov18.msst.g++.4} (79%)
 rename examples/nb3b/{log.5Oct16.nb3b.g++.1 => log.27Nov18.nb3b.g++.1} (71%)
 rename examples/nb3b/{log.5Oct16.nb3b.g++.4 => log.27Nov18.nb3b.g++.4} (71%)
 create mode 100644 examples/nemd/log.27Nov18.nemd.g++.1
 create mode 100644 examples/nemd/log.27Nov18.nemd.g++.4
 delete mode 100644 examples/nemd/log.5Oct16.nemd.g++.1
 delete mode 100644 examples/nemd/log.5Oct16.nemd.g++.4
 rename examples/obstacle/{log.5Oct16.obstacle.g++.1 => log.27Nov18.obstacle.g++.1} (82%)
 rename examples/obstacle/{log.5Oct16.obstacle.g++.4 => log.27Nov18.obstacle.g++.4} (82%)

diff --git a/examples/min/log.5Oct16.min.box.g++.1 b/examples/min/log.27Nov18.min.box.g++.1
similarity index 84%
rename from examples/min/log.5Oct16.min.box.g++.1
rename to examples/min/log.27Nov18.min.box.g++.1
index 29294567ae..7e2151c6cb 100644
--- a/examples/min/log.5Oct16.min.box.g++.1
+++ b/examples/min/log.27Nov18.min.box.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d Lennard-Jones melt and subsequent energy minimization,
 # followed by box relaxation to a target stress state
 #
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 -0.153919) to (30.7838 30.7838 0.153919)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 800 atoms
+  Time spent = 0.000453234 secs
 mass		1 1.0
 
 velocity	all create 5.0 87287 loop geom
@@ -40,13 +42,18 @@ thermo		100
 
 run		1000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 22 22 1
-Memory usage per processor = 2.47843 Mbytes
+  binsize = 1.4, bins = 22 22 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.056 | 3.056 | 3.056 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            5    -2.461717            0     2.532033    5.0190509 
      100    3.2788864  -0.74311698            0    2.5316708    15.912832 
@@ -59,20 +66,20 @@ Step Temp E_pair E_mol TotEng Press
      800    3.3016275  -0.76569171            0    2.5318087    15.639335 
      900    3.4639203  -0.92788002            0    2.5317104    14.765912 
     1000    3.3256788  -0.79078181            0    2.5307399    15.599298 
-Loop time of 0.202646 on 1 procs for 1000 steps with 800 atoms
+Loop time of 0.210142 on 1 procs for 1000 steps with 800 atoms
 
-Performance: 2131796.155 tau/day, 4934.713 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 2055749.118 tau/day, 4758.679 timesteps/s
+98.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.12926    | 0.12926    | 0.12926    |   0.0 | 63.79
-Neigh   | 0.051169   | 0.051169   | 0.051169   |   0.0 | 25.25
-Comm    | 0.0044918  | 0.0044918  | 0.0044918  |   0.0 |  2.22
-Output  | 9.3222e-05 | 9.3222e-05 | 9.3222e-05 |   0.0 |  0.05
-Modify  | 0.011879   | 0.011879   | 0.011879   |   0.0 |  5.86
-Other   |            | 0.005755   |            |       |  2.84
+Pair    | 0.12951    | 0.12951    | 0.12951    |   0.0 | 61.63
+Neigh   | 0.053642   | 0.053642   | 0.053642   |   0.0 | 25.53
+Comm    | 0.0062521  | 0.0062521  | 0.0062521  |   0.0 |  2.98
+Output  | 0.0001297  | 0.0001297  | 0.0001297  |   0.0 |  0.06
+Modify  | 0.0142     | 0.0142     | 0.0142     |   0.0 |  6.76
+Other   |            | 0.006405   |            |       |  3.05
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -98,7 +105,7 @@ thermo		50
 # atoms only
 
 minimize	1.0e-6 0.001 1000 10000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     1000            0  -0.79078181            0  -0.79078181     12.79527 
     1050            0   -2.8361415            0   -2.8361415   -1.1950285 
@@ -111,9 +118,9 @@ Step Temp E_pair E_mol TotEng Press
     1400            0   -2.9131297            0   -2.9131297   -1.0962069 
     1450            0   -2.9167506            0   -2.9167506   -1.0259809 
     1475            0   -2.9169436            0   -2.9169436   -1.0125744 
-Loop time of 0.232023 on 1 procs for 475 steps with 800 atoms
+Loop time of 0.234897 on 1 procs for 475 steps with 800 atoms
 
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -127,12 +134,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.18865    | 0.18865    | 0.18865    |   0.0 | 81.30
-Neigh   | 0.020881   | 0.020881   | 0.020881   |   0.0 |  9.00
-Comm    | 0.0028429  | 0.0028429  | 0.0028429  |   0.0 |  1.23
-Output  | 7.0095e-05 | 7.0095e-05 | 7.0095e-05 |   0.0 |  0.03
-Modify  | 0.0020018  | 0.0020018  | 0.0020018  |   0.0 |  0.86
-Other   |            | 0.01758    |            |       |  7.58
+Pair    | 0.18533    | 0.18533    | 0.18533    |   0.0 | 78.90
+Neigh   | 0.02206    | 0.02206    | 0.02206    |   0.0 |  9.39
+Comm    | 0.0041955  | 0.0041955  | 0.0041955  |   0.0 |  1.79
+Output  | 0.000108   | 0.000108   | 0.000108   |   0.0 |  0.05
+Modify  | 0.002362   | 0.002362   | 0.002362   |   0.0 |  1.01
+Other   |            | 0.02084    |            |       |  8.87
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -156,7 +163,7 @@ thermo_style    custom step temp pe pxx pyy pxy f_3 v_emin
 # anisotropic volume relaxation to hydrostatic target
 
 minimize	0.0 10.0e0 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1475            0   -2.9169436   -1.0208231   -1.0043256  0.042048233            0   -2.9169436 
     1500            0   -2.9112018    1.4420862    1.4721681  0.065929095 -0.087730988   -2.9989327 
@@ -164,9 +171,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     1600            0    -2.924265    1.4545702    1.5281333  0.053590255  -0.12032598    -3.044591 
     1650            0   -2.9289538    1.4528452    1.5692678  0.038096542  -0.12516914    -3.054123 
     1699            0   -2.9334511    1.4447667    1.5587557  0.044510608  -0.12731783    -3.060769 
-Loop time of 0.109303 on 1 procs for 224 steps with 800 atoms
+Loop time of 0.112146 on 1 procs for 224 steps with 800 atoms
 
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
+97.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -180,12 +187,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.086675   | 0.086675   | 0.086675   |   0.0 | 79.30
-Neigh   | 0.0040114  | 0.0040114  | 0.0040114  |   0.0 |  3.67
-Comm    | 0.0010419  | 0.0010419  | 0.0010419  |   0.0 |  0.95
-Output  | 9.4891e-05 | 9.4891e-05 | 9.4891e-05 |   0.0 |  0.09
-Modify  | 0.00085473 | 0.00085473 | 0.00085473 |   0.0 |  0.78
-Other   |            | 0.01662    |            |       | 15.21
+Pair    | 0.084376   | 0.084376   | 0.084376   |   0.0 | 75.24
+Neigh   | 0.0042746  | 0.0042746  | 0.0042746  |   0.0 |  3.81
+Comm    | 0.0015385  | 0.0015385  | 0.0015385  |   0.0 |  1.37
+Output  | 0.0001235  | 0.0001235  | 0.0001235  |   0.0 |  0.11
+Modify  | 0.0011208  | 0.0011208  | 0.0011208  |   0.0 |  1.00
+Other   |            | 0.02071    |            |       | 18.47
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -202,13 +209,13 @@ Dangerous builds = 0
 fix             3 all box/relax aniso 1.5 vmax 1.0e-3
 
 minimize	0.0 10.0 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1699            0   -2.9334511    1.4447667    1.5587557  0.044510608            0   -2.9334511 
     1700            0   -2.9335996    1.4982915    1.4969508  0.044657372  9.09619e-05   -2.9335086 
-Loop time of 0.000785828 on 1 procs for 1 steps with 800 atoms
+Loop time of 0.000793934 on 1 procs for 1 steps with 800 atoms
 
-127.3% CPU use with 1 MPI tasks x no OpenMP threads
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -222,12 +229,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00063896 | 0.00063896 | 0.00063896 |   0.0 | 81.31
+Pair    | 0.00061846 | 0.00061846 | 0.00061846 |   0.0 | 77.90
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  0.76
+Comm    | 1.0014e-05 | 1.0014e-05 | 1.0014e-05 |   0.0 |  1.26
 Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 6.1989e-06 | 6.1989e-06 | 6.1989e-06 |   0.0 |  0.79
-Other   |            | 0.0001347  |            |       | 17.14
+Modify  | 7.6294e-06 | 7.6294e-06 | 7.6294e-06 |   0.0 |  0.96
+Other   |            | 0.0001578  |            |       | 19.88
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -246,7 +253,7 @@ Dangerous builds = 0
 fix             3 all box/relax x 1.0 y 2.0 vmax 1.0e-3
 
 minimize	0.0 10.0 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1700            0   -2.9335996    1.4982915    1.4969508  0.044657372 -3.5527137e-17   -2.9335996 
     1750            0   -2.9306696   0.95043712     1.984164   0.04474671 -0.014282691   -2.9449523 
@@ -254,9 +261,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     1850            0    -2.935585   0.98224846    1.9920507  0.047038767 -0.021070874   -2.9566559 
     1900            0   -2.9380757   0.96811097    1.9677247  0.068809483 -0.024274947   -2.9623506 
     1913            0   -2.9391305   0.98238419    1.9782761  0.074400364 -0.025108208   -2.9642387 
-Loop time of 0.0971339 on 1 procs for 213 steps with 800 atoms
+Loop time of 0.0997889 on 1 procs for 213 steps with 800 atoms
 
-100.9% CPU use with 1 MPI tasks x no OpenMP threads
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -270,12 +277,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.076124   | 0.076124   | 0.076124   |   0.0 | 78.37
-Neigh   | 0.0027554  | 0.0027554  | 0.0027554  |   0.0 |  2.84
-Comm    | 0.00085568 | 0.00085568 | 0.00085568 |   0.0 |  0.88
-Output  | 0.00012589 | 0.00012589 | 0.00012589 |   0.0 |  0.13
-Modify  | 0.00077486 | 0.00077486 | 0.00077486 |   0.0 |  0.80
-Other   |            | 0.0165     |            |       | 16.98
+Pair    | 0.074305   | 0.074305   | 0.074305   |   0.0 | 74.46
+Neigh   | 0.0028846  | 0.0028846  | 0.0028846  |   0.0 |  2.89
+Comm    | 0.0012925  | 0.0012925  | 0.0012925  |   0.0 |  1.30
+Output  | 0.00016117 | 0.00016117 | 0.00016117 |   0.0 |  0.16
+Modify  | 0.00090647 | 0.00090647 | 0.00090647 |   0.0 |  0.91
+Other   |            | 0.02024    |            |       | 20.28
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -290,7 +297,7 @@ Neighbor list builds = 11
 Dangerous builds = 0
 
 minimize	0.0 1.0 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1913            0   -2.9391305   0.98238419    1.9782761  0.074400364 7.1054274e-17   -2.9391305 
     1950            0   -2.9397224   0.98880561    2.0105792   0.10042798 -0.0026601558   -2.9423825 
@@ -382,9 +389,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     6250            0   -3.0378032   0.99964291    1.9971778  0.033045048 -0.037140636   -3.0749439 
     6300            0   -3.0377782    0.9965492    1.9980669  0.032201395 -0.037170252   -3.0749485 
     6314            0   -3.0377854   0.99649081    1.9975871  0.032243768 -0.037163869   -3.0749493 
-Loop time of 2.27089 on 1 procs for 4401 steps with 800 atoms
+Loop time of 2.33993 on 1 procs for 4401 steps with 800 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -398,12 +405,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.8251     | 1.8251     | 1.8251     |   0.0 | 80.37
-Neigh   | 0.027037   | 0.027037   | 0.027037   |   0.0 |  1.19
-Comm    | 0.019059   | 0.019059   | 0.019059   |   0.0 |  0.84
-Output  | 0.0027676  | 0.0027676  | 0.0027676  |   0.0 |  0.12
-Modify  | 0.018233   | 0.018233   | 0.018233   |   0.0 |  0.80
-Other   |            | 0.3786     |            |       | 16.67
+Pair    | 1.7909     | 1.7909     | 1.7909     |   0.0 | 76.54
+Neigh   | 0.028373   | 0.028373   | 0.028373   |   0.0 |  1.21
+Comm    | 0.029514   | 0.029514   | 0.029514   |   0.0 |  1.26
+Output  | 0.0037448  | 0.0037448  | 0.0037448  |   0.0 |  0.16
+Modify  | 0.021746   | 0.021746   | 0.021746   |   0.0 |  0.93
+Other   |            | 0.4657     |            |       | 19.90
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -418,7 +425,7 @@ Neighbor list builds = 109
 Dangerous builds = 0
 
 minimize	0.0 1.0e-2 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     6314            0   -3.0377854   0.99649081    1.9975871  0.032243768 3.5527137e-17   -3.0377854 
     6350            0   -3.0377426    0.9995618    1.9997582  0.032364722 -4.5395813e-05    -3.037788 
@@ -454,9 +461,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     7850            0   -3.0378352    1.0000397    2.0000524  0.033753896 -7.5318252e-05   -3.0379105 
     7900            0   -3.0378354    1.0000486    2.0000488  0.033742064 -7.5113089e-05   -3.0379105 
     7904            0   -3.0378356    1.0000321    2.0000425  0.033740786 -7.491864e-05   -3.0379105 
-Loop time of 0.831561 on 1 procs for 1590 steps with 800 atoms
+Loop time of 0.85351 on 1 procs for 1590 steps with 800 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -470,12 +477,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.67727    | 0.67727    | 0.67727    |   0.0 | 81.45
-Neigh   | 0.0004921  | 0.0004921  | 0.0004921  |   0.0 |  0.06
-Comm    | 0.0065284  | 0.0065284  | 0.0065284  |   0.0 |  0.79
-Output  | 0.0010114  | 0.0010114  | 0.0010114  |   0.0 |  0.12
-Modify  | 0.0067346  | 0.0067346  | 0.0067346  |   0.0 |  0.81
-Other   |            | 0.1395     |            |       | 16.78
+Pair    | 0.66264    | 0.66264    | 0.66264    |   0.0 | 77.64
+Neigh   | 0.00052071 | 0.00052071 | 0.00052071 |   0.0 |  0.06
+Comm    | 0.010136   | 0.010136   | 0.010136   |   0.0 |  1.19
+Output  | 0.0012524  | 0.0012524  | 0.0012524  |   0.0 |  0.15
+Modify  | 0.0080862  | 0.0080862  | 0.0080862  |   0.0 |  0.95
+Other   |            | 0.1709     |            |       | 20.02
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -494,7 +501,7 @@ Dangerous builds = 0
 fix             3 all box/relax x 1.0 y 2.0 vmax 1.0e-3 nreset 100
 
 minimize	0.0 1.0e-4 10000 100000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     7904            0   -3.0378356    1.0000321    2.0000425  0.033740786            0   -3.0378356 
     7950            0   -3.0378364     1.000001    2.0000015   0.03373689 8.3404927e-07   -3.0378356 
@@ -515,9 +522,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     8700            0   -3.0378364            1    1.9999997  0.033725586 4.9116894e-09   -3.0378364 
     8750            0   -3.0378364   0.99999991            2  0.033725386 7.3634181e-10   -3.0378364 
     8753            0   -3.0378364            1            2  0.033725385 -1.0901182e-09   -3.0378364 
-Loop time of 0.445577 on 1 procs for 849 steps with 800 atoms
+Loop time of 0.457836 on 1 procs for 849 steps with 800 atoms
 
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -531,12 +538,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.36325    | 0.36325    | 0.36325    |   0.0 | 81.52
+Pair    | 0.3559     | 0.3559     | 0.3559     |   0.0 | 77.74
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0034921  | 0.0034921  | 0.0034921  |   0.0 |  0.78
-Output  | 0.00052595 | 0.00052595 | 0.00052595 |   0.0 |  0.12
-Modify  | 0.0036132  | 0.0036132  | 0.0036132  |   0.0 |  0.81
-Other   |            | 0.07469    |            |       | 16.76
+Comm    | 0.0054362  | 0.0054362  | 0.0054362  |   0.0 |  1.19
+Output  | 0.00070548 | 0.00070548 | 0.00070548 |   0.0 |  0.15
+Modify  | 0.004298   | 0.004298   | 0.004298   |   0.0 |  0.94
+Other   |            | 0.09149    |            |       | 19.98
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/min/log.5Oct16.min.box.g++.4 b/examples/min/log.27Nov18.min.box.g++.4
similarity index 84%
rename from examples/min/log.5Oct16.min.box.g++.4
rename to examples/min/log.27Nov18.min.box.g++.4
index 090b5ad79c..f6dacb0129 100644
--- a/examples/min/log.5Oct16.min.box.g++.4
+++ b/examples/min/log.27Nov18.min.box.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d Lennard-Jones melt and subsequent energy minimization,
 # followed by box relaxation to a target stress state
 #
@@ -14,6 +15,7 @@ Created orthogonal box = (0 0 -0.153919) to (30.7838 30.7838 0.153919)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 800 atoms
+  Time spent = 0.000339985 secs
 mass		1 1.0
 
 velocity	all create 5.0 87287 loop geom
@@ -40,13 +42,18 @@ thermo		100
 
 run		1000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 22 22 1
-Memory usage per processor = 2.47676 Mbytes
+  binsize = 1.4, bins = 22 22 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.049 | 3.049 | 3.049 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            5    -2.461717            0     2.532033    5.0190509 
      100    3.2788864  -0.74311698            0    2.5316708    15.912832 
@@ -59,20 +66,20 @@ Step Temp E_pair E_mol TotEng Press
      800    3.3016408  -0.76570603            0    2.5318077    15.639259 
      900    3.4621697  -0.92610292            0    2.5317391    14.773473 
     1000    3.3058424  -0.77076863            0    2.5309414    15.708171 
-Loop time of 0.066087 on 4 procs for 1000 steps with 800 atoms
+Loop time of 0.0739716 on 4 procs for 1000 steps with 800 atoms
 
-Performance: 6536837.061 tau/day, 15131.567 timesteps/s
-98.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 5840081.570 tau/day, 13518.707 timesteps/s
+96.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.032169   | 0.032534   | 0.032995   |   0.2 | 49.23
-Neigh   | 0.013092   | 0.013286   | 0.01348    |   0.1 | 20.10
-Comm    | 0.011925   | 0.012799   | 0.013343   |   0.5 | 19.37
-Output  | 0.00017333 | 0.00018448 | 0.00021172 |   0.1 |  0.28
-Modify  | 0.0029421  | 0.0029953  | 0.0030239  |   0.1 |  4.53
-Other   |            | 0.004288   |            |       |  6.49
+Pair    | 0.031443   | 0.032581   | 0.034717   |   0.7 | 44.04
+Neigh   | 0.01403    | 0.014414   | 0.01483    |   0.2 | 19.49
+Comm    | 0.013565   | 0.015975   | 0.01834    |   1.4 | 21.60
+Output  | 0.00017476 | 0.00018531 | 0.00020695 |   0.0 |  0.25
+Modify  | 0.0037742  | 0.0043355  | 0.0058382  |   1.3 |  5.86
+Other   |            | 0.006481   |            |       |  8.76
 
 Nlocal:    200 ave 202 max 196 min
 Histogram: 1 0 0 0 0 0 0 0 2 1
@@ -98,7 +105,7 @@ thermo		50
 # atoms only
 
 minimize	1.0e-6 0.001 1000 10000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     1000            0  -0.77076863            0  -0.77076863    12.920868 
     1050            0   -2.8318266            0   -2.8318266   -1.1892931 
@@ -107,9 +114,9 @@ Step Temp E_pair E_mol TotEng Press
     1200            0   -2.8831122            0   -2.8831122   -1.1004001 
     1250            0   -2.8877971            0   -2.8877971   -1.0596414 
     1300            0   -2.8887969            0   -2.8887969   -1.0448381 
-Loop time of 0.0501025 on 4 procs for 300 steps with 800 atoms
+Loop time of 0.0533715 on 4 procs for 300 steps with 800 atoms
 
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -123,12 +130,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.030059   | 0.030357   | 0.030755   |   0.2 | 60.59
-Neigh   | 0.0037379  | 0.0037849  | 0.0038264  |   0.1 |  7.55
-Comm    | 0.0061991  | 0.0067289  | 0.0071735  |   0.5 | 13.43
-Output  | 7.3195e-05 | 7.7724e-05 | 8.9407e-05 |   0.1 |  0.16
-Modify  | 0.00036192 | 0.00037038 | 0.00037956 |   0.0 |  0.74
-Other   |            | 0.008784   |            |       | 17.53
+Pair    | 0.029885   | 0.031269   | 0.033625   |   0.8 | 58.59
+Neigh   | 0.0038524  | 0.0040049  | 0.0040805  |   0.1 |  7.50
+Comm    | 0.0062668  | 0.0087315  | 0.010314   |   1.7 | 16.36
+Output  | 7.9632e-05 | 8.3268e-05 | 9.346e-05  |   0.0 |  0.16
+Modify  | 0.00043797 | 0.00044793 | 0.00045705 |   0.0 |  0.84
+Other   |            | 0.008835   |            |       | 16.55
 
 Nlocal:    200 ave 202 max 196 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
@@ -152,15 +159,15 @@ thermo_style    custom step temp pe pxx pyy pxy f_3 v_emin
 # anisotropic volume relaxation to hydrostatic target
 
 minimize	0.0 10.0e0 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1300            0   -2.8887969  -0.93904343   -1.1506328 -0.0037265764            0   -2.8887969 
     1350            0    -2.889313     1.555657    1.4414453 -0.025585726  -0.10933729   -2.9986503 
     1400            0   -2.8958621    1.5320803     1.476774 0.0041557664   -0.1208966   -3.0167587 
     1403            0   -2.8962558    1.5290172    1.4743135   0.00471395  -0.12088872   -3.0171446 
-Loop time of 0.0163901 on 4 procs for 103 steps with 800 atoms
+Loop time of 0.0172202 on 4 procs for 103 steps with 800 atoms
 
-97.6% CPU use with 4 MPI tasks x no OpenMP threads
+96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -174,12 +181,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0086238  | 0.0087494  | 0.0088425  |   0.1 | 53.38
-Neigh   | 0.00099087 | 0.0010223  | 0.0010412  |   0.1 |  6.24
-Comm    | 0.0017323  | 0.0018613  | 0.002028   |   0.3 | 11.36
-Output  | 7.3195e-05 | 7.4625e-05 | 7.8917e-05 |   0.0 |  0.46
-Modify  | 9.7513e-05 | 0.00010496 | 0.00011063 |   0.1 |  0.64
-Other   |            | 0.004578   |            |       | 27.93
+Pair    | 0.0085471  | 0.0087811  | 0.0090215  |   0.2 | 50.99
+Neigh   | 0.0010307  | 0.0011456  | 0.0013525  |   0.4 |  6.65
+Comm    | 0.0017407  | 0.0020964  | 0.0024772  |   0.6 | 12.17
+Output  | 7.5102e-05 | 7.695e-05  | 8.1301e-05 |   0.0 |  0.45
+Modify  | 0.00012064 | 0.0001241  | 0.00012684 |   0.0 |  0.72
+Other   |            | 0.004996   |            |       | 29.01
 
 Nlocal:    200 ave 202 max 198 min
 Histogram: 1 0 0 0 0 2 0 0 0 1
@@ -196,13 +203,13 @@ Dangerous builds = 0
 fix             3 all box/relax aniso 1.5 vmax 1.0e-3
 
 minimize	0.0 10.0 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1403            0   -2.8962558    1.5290172    1.4743135   0.00471395            0   -2.8962558 
     1404            0   -2.8963678      1.49615     1.499767 0.0037848845 9.6365079e-05   -2.8962714 
-Loop time of 0.000319898 on 4 procs for 1 steps with 800 atoms
+Loop time of 0.000330448 on 4 procs for 1 steps with 800 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -216,12 +223,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00016475 | 0.0001657  | 0.00016618 |   0.0 | 51.80
+Pair    | 0.00016141 | 0.00016457 | 0.00016809 |   0.0 | 49.80
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 2.9802e-05 | 3.1531e-05 | 3.4094e-05 |   0.0 |  9.86
+Comm    | 2.861e-05  | 3.3557e-05 | 3.7193e-05 |   0.0 | 10.16
 Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 2.1458e-06 | 2.563e-06  | 3.3379e-06 |   0.0 |  0.80
-Other   |            | 0.0001201  |            |       | 37.54
+Modify  | 2.1458e-06 | 2.3842e-06 | 2.6226e-06 |   0.0 |  0.72
+Other   |            | 0.0001299  |            |       | 39.32
 
 Nlocal:    200 ave 202 max 197 min
 Histogram: 1 0 0 0 0 0 1 0 1 1
@@ -240,16 +247,16 @@ Dangerous builds = 0
 fix             3 all box/relax x 1.0 y 2.0 vmax 1.0e-3
 
 minimize	0.0 10.0 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1404            0   -2.8963678      1.49615     1.499767 0.0037848845 -7.1054274e-17   -2.8963678 
     1450            0   -2.8925305   0.94584654    2.0945709 -0.029336194 -0.016086454   -2.9086169 
     1500            0   -2.8975934    1.0123866     2.009477 -0.036498498  -0.01841842   -2.9160118 
     1550            0    -2.903576    1.0046986    1.9380791 -0.037683327 -0.020970768   -2.9245468 
     1592            0   -2.9061298   0.98518925    1.9835783 -0.048932212 -0.024234721   -2.9303646 
-Loop time of 0.0294311 on 4 procs for 188 steps with 800 atoms
+Loop time of 0.0321782 on 4 procs for 188 steps with 800 atoms
 
-101.1% CPU use with 4 MPI tasks x no OpenMP threads
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -263,12 +270,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.016194   | 0.016255   | 0.0163     |   0.0 | 55.23
-Neigh   | 0.00050688 | 0.0005179  | 0.00053    |   0.0 |  1.76
-Comm    | 0.0030935  | 0.0031458  | 0.0031939  |   0.1 | 10.69
-Output  | 0.00011897 | 0.00012201 | 0.00013018 |   0.0 |  0.41
-Modify  | 0.00016952 | 0.0001781  | 0.00018668 |   0.0 |  0.61
-Other   |            | 0.009212   |            |       | 31.30
+Pair    | 0.015791   | 0.016377   | 0.01695    |   0.3 | 50.90
+Neigh   | 0.00053954 | 0.00056165 | 0.00057793 |   0.0 |  1.75
+Comm    | 0.0027378  | 0.0033152  | 0.0039263  |   0.8 | 10.30
+Output  | 0.00014901 | 0.00015163 | 0.00015783 |   0.0 |  0.47
+Modify  | 0.00021982 | 0.00022542 | 0.0002315  |   0.0 |  0.70
+Other   |            | 0.01155    |            |       | 35.88
 
 Nlocal:    200 ave 202 max 196 min
 Histogram: 1 0 0 0 0 0 0 0 2 1
@@ -283,7 +290,7 @@ Neighbor list builds = 8
 Dangerous builds = 0
 
 minimize	0.0 1.0 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     1592            0   -2.9061298   0.98518925    1.9835783 -0.048932212 3.5527137e-17   -2.9061298 
     1600            0   -2.9046586    1.0529014    2.0593731 -0.050860896 -0.0020973121   -2.9067559 
@@ -378,9 +385,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     6050            0   -3.0313105    0.9590106     1.959899   0.10814531 -0.084790331   -3.1161008 
     6100            0   -3.0313244    0.9580272    1.9605104   0.10879691  -0.08493735   -3.1162617 
     6130            0   -3.0313384   0.95532497    1.9595324   0.10924759 -0.084945274   -3.1162837 
-Loop time of 0.833589 on 4 procs for 4538 steps with 800 atoms
+Loop time of 0.937381 on 4 procs for 4538 steps with 800 atoms
 
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -394,12 +401,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.45739    | 0.47006    | 0.47928    |   1.2 | 56.39
-Neigh   | 0.006587   | 0.0068482  | 0.0069439  |   0.2 |  0.82
-Comm    | 0.089155   | 0.097262   | 0.11111    |   2.7 | 11.67
-Output  | 0.0035946  | 0.0036807  | 0.0039296  |   0.2 |  0.44
-Modify  | 0.0051167  | 0.0053424  | 0.005434   |   0.2 |  0.64
-Other   |            | 0.2504     |            |       | 30.04
+Pair    | 0.45297    | 0.47262    | 0.48939    |   2.1 | 50.42
+Neigh   | 0.0071242  | 0.0072536  | 0.0073645  |   0.1 |  0.77
+Comm    | 0.12672    | 0.1453     | 0.17041    |   4.8 | 15.50
+Output  | 0.0040541  | 0.0063651  | 0.013254   |   5.0 |  0.68
+Modify  | 0.0063808  | 0.0065207  | 0.0066283  |   0.1 |  0.70
+Other   |            | 0.2993     |            |       | 31.93
 
 Nlocal:    200 ave 203 max 197 min
 Histogram: 1 0 0 1 0 0 1 0 0 1
@@ -414,7 +421,7 @@ Neighbor list builds = 104
 Dangerous builds = 0
 
 minimize	0.0 1.0e-2 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     6130            0   -3.0313384   0.95532497    1.9595324   0.10924759 -3.5527137e-17   -3.0313384 
     6150            0   -3.0304428    0.9947235    1.9969091   0.10935746 -0.00091797415   -3.0313608 
@@ -448,9 +455,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     7550            0   -3.0303533    1.0000018    1.9999949   0.10769873 -0.0010415749   -3.0313949 
     7600            0   -3.0303529    1.0000017    2.0000034   0.10770161 -0.0010419517   -3.0313949 
     7607            0   -3.0303527    1.0000104    2.0000131   0.10770259 -0.0010421819   -3.0313949 
-Loop time of 0.279601 on 4 procs for 1477 steps with 800 atoms
+Loop time of 0.311816 on 4 procs for 1477 steps with 800 atoms
 
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+96.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -464,12 +471,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.15759    | 0.16061    | 0.16246    |   0.5 | 57.44
+Pair    | 0.16143    | 0.16413    | 0.16779    |   0.6 | 52.64
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.026405   | 0.029149   | 0.033293   |   1.5 | 10.43
-Output  | 0.0011969  | 0.0012203  | 0.0012867  |   0.1 |  0.44
-Modify  | 0.0017877  | 0.0018381  | 0.0019131  |   0.1 |  0.66
-Other   |            | 0.08679    |            |       | 31.04
+Comm    | 0.03717    | 0.042433   | 0.05037    |   2.5 | 13.61
+Output  | 0.0012872  | 0.0017485  | 0.0031171  |   1.9 |  0.56
+Modify  | 0.0022309  | 0.0022756  | 0.002321   |   0.1 |  0.73
+Other   |            | 0.1012     |            |       | 32.46
 
 Nlocal:    200 ave 203 max 197 min
 Histogram: 1 0 0 1 0 0 1 0 0 1
@@ -488,7 +495,7 @@ Dangerous builds = 0
 fix             3 all box/relax x 1.0 y 2.0 vmax 1.0e-3 nreset 100
 
 minimize	0.0 1.0e-4 10000 100000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp PotEng Pxx Pyy Pxy f_3 v_emin 
     7607            0   -3.0303527    1.0000104    2.0000131   0.10770259 3.5527137e-17   -3.0303527 
     7650            0    -3.030353    0.9999904    2.0000076   0.10770145 2.9878713e-07   -3.0303527 
@@ -504,9 +511,9 @@ Step Temp PotEng Pxx Pyy Pxy f_3 v_emin
     8150            0   -3.0303532    1.0000003    2.0000002   0.10770398 -1.4421314e-09   -3.0303532 
     8200            0   -3.0303532    1.0000001    2.0000001   0.10770407 7.0744514e-10   -3.0303532 
     8201            0   -3.0303532   0.99999993            2   0.10770406 3.9670625e-09   -3.0303532 
-Loop time of 0.118568 on 4 procs for 594 steps with 800 atoms
+Loop time of 0.129036 on 4 procs for 594 steps with 800 atoms
 
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+95.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = force tolerance
@@ -520,12 +527,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.063769   | 0.065702   | 0.068746   |   0.7 | 55.41
+Pair    | 0.06542    | 0.066275   | 0.068163   |   0.4 | 51.36
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.011877   | 0.015052   | 0.017311   |   1.6 | 12.69
-Output  | 0.0004735  | 0.00048357 | 0.00051045 |   0.1 |  0.41
-Modify  | 0.00073504 | 0.00075912 | 0.00081396 |   0.1 |  0.64
-Other   |            | 0.03657    |            |       | 30.84
+Comm    | 0.015691   | 0.016819   | 0.018781   |   0.9 | 13.03
+Output  | 0.00052595 | 0.00067312 | 0.0011091  |   0.0 |  0.52
+Modify  | 0.00091577 | 0.0009293  | 0.0009408  |   0.0 |  0.72
+Other   |            | 0.04434    |            |       | 34.36
 
 Nlocal:    200 ave 203 max 197 min
 Histogram: 1 0 0 1 0 0 1 0 0 1
diff --git a/examples/min/log.5Oct16.min.g++.1 b/examples/min/log.27Nov18.min.g++.1
similarity index 73%
rename from examples/min/log.5Oct16.min.g++.1
rename to examples/min/log.27Nov18.min.g++.1
index 9d38693274..98c3ca3b93 100644
--- a/examples/min/log.5Oct16.min.g++.1
+++ b/examples/min/log.27Nov18.min.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d Lennard-Jones melt and subsequent energy minimization
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 -0.153919) to (30.7838 30.7838 0.153919)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 800 atoms
+  Time spent = 0.000434637 secs
 mass		1 1.0
 
 velocity	all create 5.0 87287 loop geom
@@ -39,13 +41,18 @@ thermo		100
 
 run		1000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 22 22 1
-Memory usage per processor = 2.47843 Mbytes
+  binsize = 1.4, bins = 22 22 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.056 | 3.056 | 3.056 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            5    -2.461717            0     2.532033    5.0190509 
      100    3.2788864  -0.74311698            0    2.5316708    15.912832 
@@ -58,20 +65,20 @@ Step Temp E_pair E_mol TotEng Press
      800    3.3016275  -0.76569171            0    2.5318087    15.639335 
      900    3.4639203  -0.92788002            0    2.5317104    14.765912 
     1000    3.3256788  -0.79078181            0    2.5307399    15.599298 
-Loop time of 0.201747 on 1 procs for 1000 steps with 800 atoms
+Loop time of 0.206744 on 1 procs for 1000 steps with 800 atoms
 
-Performance: 2141296.412 tau/day, 4956.705 timesteps/s
-99.6% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 2089538.727 tau/day, 4836.895 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.12879    | 0.12879    | 0.12879    |   0.0 | 63.84
-Neigh   | 0.051049   | 0.051049   | 0.051049   |   0.0 | 25.30
-Comm    | 0.0043695  | 0.0043695  | 0.0043695  |   0.0 |  2.17
-Output  | 8.1301e-05 | 8.1301e-05 | 8.1301e-05 |   0.0 |  0.04
-Modify  | 0.011838   | 0.011838   | 0.011838   |   0.0 |  5.87
-Other   |            | 0.005622   |            |       |  2.79
+Pair    | 0.12643    | 0.12643    | 0.12643    |   0.0 | 61.15
+Neigh   | 0.053694   | 0.053694   | 0.053694   |   0.0 | 25.97
+Comm    | 0.0061328  | 0.0061328  | 0.0061328  |   0.0 |  2.97
+Output  | 0.00011373 | 0.00011373 | 0.00011373 |   0.0 |  0.06
+Modify  | 0.014107   | 0.014107   | 0.014107   |   0.0 |  6.82
+Other   |            | 0.006263   |            |       |  3.03
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -91,7 +98,7 @@ neigh_modify	delay 0 every 1 check yes
 
 thermo		50
 minimize	1.0e-6 0.001 1000 10000
-Memory usage per processor = 3.60343 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.182 | 4.182 | 4.182 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     1000    3.3256788  -0.79078181            0    2.5307399    15.599298 
     1050    3.3256788   -2.8361415            0   0.48538014    1.6090001 
@@ -104,9 +111,9 @@ Step Temp E_pair E_mol TotEng Press
     1400    3.3256788   -2.9131297            0   0.40839199    1.7078217 
     1450    3.3256788   -2.9167506            0   0.40477104    1.7780477 
     1475    3.3256788   -2.9169436            0    0.4045781    1.7914542 
-Loop time of 0.231352 on 1 procs for 475 steps with 800 atoms
+Loop time of 0.233542 on 1 procs for 475 steps with 800 atoms
 
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -120,12 +127,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.18807    | 0.18807    | 0.18807    |   0.0 | 81.29
-Neigh   | 0.02088    | 0.02088    | 0.02088    |   0.0 |  9.03
-Comm    | 0.0028048  | 0.0028048  | 0.0028048  |   0.0 |  1.21
-Output  | 6.9618e-05 | 6.9618e-05 | 6.9618e-05 |   0.0 |  0.03
-Modify  | 0.0020773  | 0.0020773  | 0.0020773  |   0.0 |  0.90
-Other   |            | 0.01745    |            |       |  7.54
+Pair    | 0.18404    | 0.18404    | 0.18404    |   0.0 | 78.80
+Neigh   | 0.02204    | 0.02204    | 0.02204    |   0.0 |  9.44
+Comm    | 0.0040922  | 0.0040922  | 0.0040922  |   0.0 |  1.75
+Output  | 0.00010443 | 0.00010443 | 0.00010443 |   0.0 |  0.04
+Modify  | 0.0023651  | 0.0023651  | 0.0023651  |   0.0 |  1.01
+Other   |            | 0.0209     |            |       |  8.95
 
 Nlocal:    800 ave 800 max 800 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/min/log.5Oct16.min.g++.4 b/examples/min/log.27Nov18.min.g++.4
similarity index 71%
rename from examples/min/log.5Oct16.min.g++.4
rename to examples/min/log.27Nov18.min.g++.4
index c58633b77c..43171cd28d 100644
--- a/examples/min/log.5Oct16.min.g++.4
+++ b/examples/min/log.27Nov18.min.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d Lennard-Jones melt and subsequent energy minimization
 
 units		lj
@@ -13,6 +14,7 @@ Created orthogonal box = (0 0 -0.153919) to (30.7838 30.7838 0.153919)
   2 by 2 by 1 MPI processor grid
 create_atoms	1 box
 Created 800 atoms
+  Time spent = 0.000340223 secs
 mass		1 1.0
 
 velocity	all create 5.0 87287 loop geom
@@ -39,13 +41,18 @@ thermo		100
 
 run		1000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 22 22 1
-Memory usage per processor = 2.47676 Mbytes
+  binsize = 1.4, bins = 22 22 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.049 | 3.049 | 3.049 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            5    -2.461717            0     2.532033    5.0190509 
      100    3.2788864  -0.74311698            0    2.5316708    15.912832 
@@ -58,20 +65,20 @@ Step Temp E_pair E_mol TotEng Press
      800    3.3016408  -0.76570603            0    2.5318077    15.639259 
      900    3.4621697  -0.92610292            0    2.5317391    14.773473 
     1000    3.3058424  -0.77076863            0    2.5309414    15.708171 
-Loop time of 0.162444 on 4 procs for 1000 steps with 800 atoms
+Loop time of 0.0730537 on 4 procs for 1000 steps with 800 atoms
 
-Performance: 2659379.051 tau/day, 6155.970 timesteps/s
-78.3% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 5913456.756 tau/day, 13688.557 timesteps/s
+95.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.032602   | 0.033969   | 0.034999   |   0.5 | 20.91
-Neigh   | 0.013433   | 0.013719   | 0.013862   |   0.1 |  8.45
-Comm    | 0.08291    | 0.088224   | 0.099287   |   2.2 | 54.31
-Output  | 0.00084209 | 0.00093055 | 0.00097394 |   0.2 |  0.57
-Modify  | 0.0030942  | 0.0033001  | 0.0035179  |   0.3 |  2.03
-Other   |            | 0.0223     |            |       | 13.73
+Pair    | 0.031481   | 0.031893   | 0.032234   |   0.2 | 43.66
+Neigh   | 0.014234   | 0.014466   | 0.014672   |   0.1 | 19.80
+Comm    | 0.017078   | 0.01775    | 0.018055   |   0.3 | 24.30
+Output  | 0.00017548 | 0.00027454 | 0.00056386 |   0.0 |  0.38
+Modify  | 0.0038447  | 0.0038754  | 0.0038893  |   0.0 |  5.30
+Other   |            | 0.004795   |            |       |  6.56
 
 Nlocal:    200 ave 202 max 196 min
 Histogram: 1 0 0 0 0 0 0 0 2 1
@@ -91,7 +98,7 @@ neigh_modify	delay 0 every 1 check yes
 
 thermo		50
 minimize	1.0e-6 0.001 1000 10000
-Memory usage per processor = 3.60176 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.174 | 4.174 | 4.174 Mbytes
 Step Temp E_pair E_mol TotEng Press 
     1000    3.3058424  -0.77076863            0    2.5309414    15.708171 
     1050    3.3058424   -2.8318266            0   0.46988351    1.5980106 
@@ -100,9 +107,9 @@ Step Temp E_pair E_mol TotEng Press
     1200    3.3058424   -2.8831122            0   0.41859789    1.6869035 
     1250    3.3058424   -2.8877971            0     0.413913    1.7276622 
     1300    3.3058424   -2.8887969            0   0.41291311    1.7424655 
-Loop time of 0.048058 on 4 procs for 300 steps with 800 atoms
+Loop time of 0.055995 on 4 procs for 300 steps with 800 atoms
 
-98.8% CPU use with 4 MPI tasks x no OpenMP threads
+96.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -116,12 +123,12 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.03076    | 0.031581   | 0.032226   |   0.3 | 65.71
-Neigh   | 0.0037913  | 0.0038914  | 0.0039353  |   0.1 |  8.10
-Comm    | 0.004194   | 0.0049016  | 0.0058777  |   1.0 | 10.20
-Output  | 6.3181e-05 | 6.6817e-05 | 7.7009e-05 |   0.1 |  0.14
-Modify  | 0.00035    | 0.00036556 | 0.0003829  |   0.1 |  0.76
-Other   |            | 0.007252   |            |       | 15.09
+Pair    | 0.029709   | 0.030492   | 0.031057   |   0.3 | 54.45
+Neigh   | 0.0040245  | 0.0042111  | 0.0046084  |   0.4 |  7.52
+Comm    | 0.010827   | 0.011703   | 0.012587   |   0.6 | 20.90
+Output  | 9.8228e-05 | 0.00024104 | 0.00066733 |   0.0 |  0.43
+Modify  | 0.0004456  | 0.00045222 | 0.00045633 |   0.0 |  0.81
+Other   |            | 0.008895   |            |       | 15.89
 
 Nlocal:    200 ave 202 max 196 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
diff --git a/examples/msst/log.5Oct16.msst.g++.1 b/examples/msst/log.27Nov18.msst.g++.1
similarity index 79%
rename from examples/msst/log.5Oct16.msst.g++.1
rename to examples/msst/log.27Nov18.msst.g++.1
index 64af995896..4b18e67702 100644
--- a/examples/msst/log.5Oct16.msst.g++.1
+++ b/examples/msst/log.27Nov18.msst.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # LJ test of msst shock dynamics
 
 # Energy in eV, time in ps, distance in angstroms.
@@ -20,6 +21,7 @@ Created orthogonal box = (0 0 0) to (96.4602 96.4602 96.4602)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region box1
 Created 23328 atoms
+  Time spent = 0.00902033 secs
 
 mass		1 40.00
 
@@ -37,13 +39,18 @@ thermo		10
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 17 17 17
-Memory usage per processor = 8.03726 Mbytes
+  binsize = 6, bins = 17 17 17
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 17.86 | 17.86 | 17.86 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0          600   -1943.9014            0   -134.75058    992.06384 
       10    586.44651   -1917.3971            0   -149.11346      1306.17 
@@ -56,20 +63,20 @@ Step Temp E_pair E_mol TotEng Press
       80    300.28534    -1056.589            0   -151.15321    8324.8812 
       90    305.83368   -1073.3097            0   -151.14426    8175.2478 
      100    304.06857   -1067.9843            0   -151.14112     8191.234 
-Loop time of 3.5066 on 1 procs for 100 steps with 23328 atoms
+Loop time of 3.49498 on 1 procs for 100 steps with 23328 atoms
 
-Performance: 4.928 ns/day, 4.870 hours/ns, 28.518 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 4.944 ns/day, 4.854 hours/ns, 28.612 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.3534     | 3.3534     | 3.3534     |   0.0 | 95.63
-Neigh   | 0.066456   | 0.066456   | 0.066456   |   0.0 |  1.90
-Comm    | 0.01981    | 0.01981    | 0.01981    |   0.0 |  0.56
-Output  | 0.00096083 | 0.00096083 | 0.00096083 |   0.0 |  0.03
-Modify  | 0.037752   | 0.037752   | 0.037752   |   0.0 |  1.08
-Other   |            | 0.02825    |            |       |  0.81
+Pair    | 3.354      | 3.354      | 3.354      |   0.0 | 95.97
+Neigh   | 0.074059   | 0.074059   | 0.074059   |   0.0 |  2.12
+Comm    | 0.020118   | 0.020118   | 0.020118   |   0.0 |  0.58
+Output  | 0.0010924  | 0.0010924  | 0.0010924  |   0.0 |  0.03
+Modify  | 0.034063   | 0.034063   | 0.034063   |   0.0 |  0.97
+Other   |            | 0.01168    |            |       |  0.33
 
 Nlocal:    23328 ave 23328 max 23328 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -118,7 +125,7 @@ Fix MSST v0 =  8.97521e+05
 Fix MSST p0 =  8.10679e+03
 Fix MSST e0 = to be -1.51141e+02
 Fix MSST initial strain rate of -3.20112e-02 established by reducing temperature by factor of  1.00000e-02
-Memory usage per processor = 8.04369 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 18.99 | 18.99 | 18.99 Mbytes
 Step Temp KinEng PotEng Lx Ly Lz Pxx Pyy Pzz TotEng v_dhug v_dray v_lgr_vel v_lgr_pos f_msst 
      100    301.02788    907.67474   -1058.8159      96.4602      96.4602      96.4602    8242.1214    8202.9779    8095.8693   -151.14112    1.5203428   -10.919311            0            0    9.1684318 
      110    297.71411    897.68288   -1048.8859      96.4602      96.4602    96.399397    8347.6253    8303.7121    8220.7572   -151.20299     1.439058    28.652258  0.017649501  -0.55980494    5.7336721 
@@ -131,20 +138,20 @@ Step Temp KinEng PotEng Lx Ly Lz Pxx Pyy Pzz TotEng v_dhug v_dray v_lgr_vel v_lg
      180       304.99    919.62151   -1071.3588      96.4602      96.4602    96.022824    8461.5542    8343.1436    8484.9824   -151.73733   0.99203387   -235.51793   0.12695926   -4.4693063   -15.685622 
      190     305.1148    919.99782   -1071.7807      96.4602      96.4602      95.9748    8498.7562    8371.4217    8514.4473   -151.78288   0.93937416   -273.43964    0.1408996   -5.0266132   -18.403999 
      200    306.45829     924.0488   -1075.8787      96.4602      96.4602    95.927931    8488.9509    8385.2408    8529.6443   -151.82991   0.88654815   -324.00777   0.15450451    -5.583645   -21.055149 
-Loop time of 4.74363 on 1 procs for 100 steps with 23328 atoms
+Loop time of 5.50267 on 1 procs for 100 steps with 23328 atoms
 
-Performance: 3.643 ns/day, 6.588 hours/ns, 21.081 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 3.140 ns/day, 7.643 hours/ns, 18.173 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.366      | 3.366      | 3.366      |   0.0 | 70.96
-Neigh   | 0.13476    | 0.13476    | 0.13476    |   0.0 |  2.84
-Comm    | 0.017403   | 0.017403   | 0.017403   |   0.0 |  0.37
-Output  | 0.011465   | 0.011465   | 0.011465   |   0.0 |  0.24
-Modify  | 1.1866     | 1.1866     | 1.1866     |   0.0 | 25.01
-Other   |            | 0.02743    |            |       |  0.58
+Pair    | 4.7512     | 4.7512     | 4.7512     |   0.0 | 86.34
+Neigh   | 0.14916    | 0.14916    | 0.14916    |   0.0 |  2.71
+Comm    | 0.020737   | 0.020737   | 0.020737   |   0.0 |  0.38
+Output  | 0.010999   | 0.010999   | 0.010999   |   0.0 |  0.20
+Modify  | 0.55965    | 0.55965    | 0.55965    |   0.0 | 10.17
+Other   |            | 0.01089    |            |       |  0.20
 
 Nlocal:    23328 ave 23328 max 23328 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -157,4 +164,4 @@ Total # of neighbors = 2183494
 Ave neighs/atom = 93.5997
 Neighbor list builds = 2
 Dangerous builds = 0
-Total wall time: 0:00:08
+Total wall time: 0:00:09
diff --git a/examples/msst/log.5Oct16.msst.g++.4 b/examples/msst/log.27Nov18.msst.g++.4
similarity index 79%
rename from examples/msst/log.5Oct16.msst.g++.4
rename to examples/msst/log.27Nov18.msst.g++.4
index 6026141ace..c2ed0fcb5e 100644
--- a/examples/msst/log.5Oct16.msst.g++.4
+++ b/examples/msst/log.27Nov18.msst.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # LJ test of msst shock dynamics
 
 # Energy in eV, time in ps, distance in angstroms.
@@ -20,6 +21,7 @@ Created orthogonal box = (0 0 0) to (96.4602 96.4602 96.4602)
   1 by 2 by 2 MPI processor grid
 create_atoms    1 region box1
 Created 23328 atoms
+  Time spent = 0.00104165 secs
 
 mass		1 40.00
 
@@ -37,13 +39,18 @@ thermo		10
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 17 17 17
-Memory usage per processor = 5.24184 Mbytes
+  binsize = 6, bins = 17 17 17
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.784 | 7.784 | 7.784 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0          600   -1943.9014            0   -134.75058    992.06384 
       10    586.47212   -1917.4465            0   -149.08565    1305.7368 
@@ -56,20 +63,20 @@ Step Temp E_pair E_mol TotEng Press
       80    299.37658   -1053.8476            0    -151.1519    8352.9467 
       90    304.24026   -1068.4941            0   -151.13319    8218.1594 
      100     301.9683   -1061.6332            0   -151.12284    8244.1277 
-Loop time of 0.933851 on 4 procs for 100 steps with 23328 atoms
+Loop time of 0.978562 on 4 procs for 100 steps with 23328 atoms
 
-Performance: 18.504 ns/day, 1.297 hours/ns, 107.083 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 17.659 ns/day, 1.359 hours/ns, 102.191 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.83046    | 0.85727    | 0.86953    |   1.7 | 91.80
-Neigh   | 0.01685    | 0.017314   | 0.017519   |   0.2 |  1.85
-Comm    | 0.028471   | 0.041764   | 0.070721   |   8.3 |  4.47
-Output  | 0.00049806 | 0.00062126 | 0.00067735 |   0.3 |  0.07
-Modify  | 0.0090787  | 0.009689   | 0.0099437  |   0.4 |  1.04
-Other   |            | 0.007188   |            |       |  0.77
+Pair    | 0.86406    | 0.88129    | 0.89922    |   1.4 | 90.06
+Neigh   | 0.019231   | 0.019453   | 0.019816   |   0.2 |  1.99
+Comm    | 0.043947   | 0.06197    | 0.079005   |   5.1 |  6.33
+Output  | 0.00057197 | 0.00082499 | 0.0015628  |   0.0 |  0.08
+Modify  | 0.0091414  | 0.0092927  | 0.0094769  |   0.1 |  0.95
+Other   |            | 0.005727   |            |       |  0.59
 
 Nlocal:    5832 ave 5850 max 5813 min
 Histogram: 1 0 0 0 1 1 0 0 0 1
@@ -118,7 +125,7 @@ Fix MSST v0 =  8.97521e+05
 Fix MSST p0 =  8.18624e+03
 Fix MSST e0 = to be -1.51123e+02
 Fix MSST initial strain rate of -3.19005e-02 established by reducing temperature by factor of  1.00000e-02
-Memory usage per processor = 5.24184 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 8.534 | 8.534 | 8.534 Mbytes
 Step Temp KinEng PotEng Lx Ly Lz Pxx Pyy Pzz TotEng v_dhug v_dray v_lgr_vel v_lgr_pos f_msst 
      100    298.94862    901.40524   -1052.5281      96.4602      96.4602      96.4602    8270.9151    8253.4662    8175.4946   -151.12284    1.5098415   -10.744684            0            0    9.1051034 
      110    296.49826    894.01679    -1045.224      96.4602      96.4602    96.399609    8338.4937    8340.5504    8294.9909   -151.20723    1.4327442     23.73173  0.017588167  -0.55980562    5.6560557 
@@ -131,20 +138,20 @@ Step Temp KinEng PotEng Lx Ly Lz Pxx Pyy Pzz TotEng v_dhug v_dray v_lgr_vel v_lg
      180    305.86343    922.25514   -1073.9633      96.4602      96.4602    96.023049    8345.1853    8432.5201    8461.3276   -151.70813   0.97863988   -338.30793   0.12689398   -4.4693274   -15.815462 
      190    307.44054    927.01052   -1078.7892      96.4602      96.4602      95.9747    8368.4081    8427.5109     8450.584   -151.77867   0.92329631   -416.89333    0.1409285   -5.0266346   -18.541801 
      200    308.43619    930.01265   -1081.8521      96.4602      96.4602    95.927349    8393.2058    8443.1265    8454.6733   -151.83947    0.8723277   -479.24592    0.1546734   -5.5836644    -21.20378 
-Loop time of 1.23008 on 4 procs for 100 steps with 23328 atoms
+Loop time of 1.57102 on 4 procs for 100 steps with 23328 atoms
 
-Performance: 14.048 ns/day, 1.708 hours/ns, 81.295 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 10.999 ns/day, 2.182 hours/ns, 63.653 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.83631    | 0.84345    | 0.85189    |   0.8 | 68.57
-Neigh   | 0.033866   | 0.03409    | 0.034339   |   0.1 |  2.77
-Comm    | 0.029796   | 0.038609   | 0.045779   |   3.5 |  3.14
-Output  | 0.0036259  | 0.0036446  | 0.0036905  |   0.0 |  0.30
-Modify  | 0.30399    | 0.30447    | 0.30495    |   0.1 | 24.75
-Other   |            | 0.00582    |            |       |  0.47
+Pair    | 1.2237     | 1.2543     | 1.3264     |   3.7 | 79.84
+Neigh   | 0.038648   | 0.039684   | 0.041811   |   0.6 |  2.53
+Comm    | 0.026617   | 0.10771    | 0.14194    |  14.3 |  6.86
+Output  | 0.0035126  | 0.0045422  | 0.0076261  |   2.6 |  0.29
+Modify  | 0.15787    | 0.15969    | 0.16403    |   0.6 | 10.16
+Other   |            | 0.005042   |            |       |  0.32
 
 Nlocal:    5832 ave 5874 max 5803 min
 Histogram: 2 0 0 0 0 1 0 0 0 1
diff --git a/examples/nb3b/log.5Oct16.nb3b.g++.1 b/examples/nb3b/log.27Nov18.nb3b.g++.1
similarity index 71%
rename from examples/nb3b/log.5Oct16.nb3b.g++.1
rename to examples/nb3b/log.27Nov18.nb3b.g++.1
index a156b3400c..d4a8cffc42 100644
--- a/examples/nb3b/log.5Oct16.nb3b.g++.1
+++ b/examples/nb3b/log.27Nov18.nb3b.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test of NB3B pair style with pair hybrid and KSpace solver
 
 units           real
@@ -57,26 +58,46 @@ thermo          50
 ### Minimize forces in structure ###
 
 minimize        1.0e-06 1.0e-08 1000 10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 EwaldDisp initialization ...
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-  G vector = 0.269426
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+  G vector = 0.269426   accuracy = 0.0332064
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
 Neighbor list info ...
-  4 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 4 4 4
+  binsize = 6, bins = 4 4 4
+  4 neighbor lists, perpetual/occasional/extra = 4 0 0
+  (1) pair nb3b/harmonic, perpetual
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair lj/cut/coul/long, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) pair nb3b/harmonic, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair lj/cut/coul/long, perpetual, copy from (2)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
   vectors: nbox = 6, nkvec = 478
-Memory usage per processor = 17.039 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 32.37 | 32.37 | 32.37 Mbytes
 Step TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Lx Ly Lz Xy Xz Yz Volume 
        0   -61505.983            0            0   -61505.983    198.11978            0            0            0    5426.6842   -20935.868   -46194.919    979.72822      22.5907       22.359      23.4708            0            0            0    11855.229 
        4   -61506.604            0            0   -61506.604    198.69671            0            0            0    5460.0893   -20970.348   -46195.042      1657.43      22.5907       22.359      23.4708            0            0            0    11855.229 
-Loop time of 0.434716 on 1 procs for 4 steps with 1400 atoms
+Loop time of 0.562063 on 1 procs for 4 steps with 1400 atoms
 
-98.4% CPU use with 1 MPI tasks x no OpenMP threads
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -90,14 +111,14 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.35925    | 0.35925    | 0.35925    |   0.0 | 82.64
-Bond    | 0.00031662 | 0.00031662 | 0.00031662 |   0.0 |  0.07
-Kspace  | 0.074097   | 0.074097   | 0.074097   |   0.0 | 17.04
+Pair    | 0.47517    | 0.47517    | 0.47517    |   0.0 | 84.54
+Bond    | 0.00020051 | 0.00020051 | 0.00020051 |   0.0 |  0.04
+Kspace  | 0.085509   | 0.085509   | 0.085509   |   0.0 | 15.21
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00059676 | 0.00059676 | 0.00059676 |   0.0 |  0.14
+Comm    | 0.00077796 | 0.00077796 | 0.00077796 |   0.0 |  0.14
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.0004592  |            |       |  0.11
+Other   |            | 0.0004046  |            |       |  0.07
 
 Nlocal:    1400 ave 1400 max 1400 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -123,38 +144,31 @@ fix             2 all temp/rescale 10 298.0 298.0 25.0 1.0
 
 run             100
 EwaldDisp initialization ...
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-  G vector = 0.269426
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-Neighbor list info ...
-  4 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12
-  ghost atom cutoff = 12
-  binsize = 6 -> bins = 4 4 4
-Memory usage per processor = 16.664 Mbytes
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+  G vector = 0.269426   accuracy = 0.0332064
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+Per MPI rank memory allocation (min/avg/max) = 31.99 | 31.99 | 31.99 Mbytes
 Step TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Lx Ly Lz Xy Xz Yz Volume 
        4   -60263.898    1242.7057          298   -61506.604    198.69671            0            0            0    5460.0893   -20970.348   -46195.042    6449.1472      22.5907       22.359      23.4708            0            0            0    11855.229 
       50   -58769.885    1186.4036    284.49881   -59956.289    309.92499            0            0            0    6168.8458   -20249.062   -46185.998    21737.807      22.5907       22.359      23.4708            0            0            0    11855.229 
      100   -58865.196    1242.7057          298   -60107.902    371.56168            0            0            0    6422.4016   -20716.005    -46185.86    22887.006      22.5907       22.359      23.4708            0            0            0    11855.229 
      104   -58865.334    1260.1244      302.177   -60125.458    386.24491            0            0            0    6377.3686   -20705.327   -46183.745     19154.01      22.5907       22.359      23.4708            0            0            0    11855.229 
-Loop time of 7.88523 on 1 procs for 100 steps with 1400 atoms
+Loop time of 10.7036 on 1 procs for 100 steps with 1400 atoms
 
-Performance: 1.096 ns/day, 21.903 hours/ns, 12.682 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.807 ns/day, 29.732 hours/ns, 9.343 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 6.9318     | 6.9318     | 6.9318     |   0.0 | 87.91
-Bond    | 0.0063558  | 0.0063558  | 0.0063558  |   0.0 |  0.08
-Kspace  | 0.81841    | 0.81841    | 0.81841    |   0.0 | 10.38
-Neigh   | 0.1015     | 0.1015     | 0.1015     |   0.0 |  1.29
-Comm    | 0.013201   | 0.013201   | 0.013201   |   0.0 |  0.17
-Output  | 9.7752e-05 | 9.7752e-05 | 9.7752e-05 |   0.0 |  0.00
-Modify  | 0.0064344  | 0.0064344  | 0.0064344  |   0.0 |  0.08
-Other   |            | 0.007411   |            |       |  0.09
+Pair    | 9.5983     | 9.5983     | 9.5983     |   0.0 | 89.67
+Bond    | 0.0037653  | 0.0037653  | 0.0037653  |   0.0 |  0.04
+Kspace  | 0.95057    | 0.95057    | 0.95057    |   0.0 |  8.88
+Neigh   | 0.11977    | 0.11977    | 0.11977    |   0.0 |  1.12
+Comm    | 0.018144   | 0.018144   | 0.018144   |   0.0 |  0.17
+Output  | 0.00011969 | 0.00011969 | 0.00011969 |   0.0 |  0.00
+Modify  | 0.0061135  | 0.0061135  | 0.0061135  |   0.0 |  0.06
+Other   |            | 0.006855   |            |       |  0.06
 
 Nlocal:    1400 ave 1400 max 1400 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -170,4 +184,4 @@ Ave neighs/atom = 850.439
 Ave special neighs/atom = 0.8
 Neighbor list builds = 2
 Dangerous builds = 0
-Total wall time: 0:00:08
+Total wall time: 0:00:11
diff --git a/examples/nb3b/log.5Oct16.nb3b.g++.4 b/examples/nb3b/log.27Nov18.nb3b.g++.4
similarity index 71%
rename from examples/nb3b/log.5Oct16.nb3b.g++.4
rename to examples/nb3b/log.27Nov18.nb3b.g++.4
index f63a40486d..e2c1f77844 100644
--- a/examples/nb3b/log.5Oct16.nb3b.g++.4
+++ b/examples/nb3b/log.27Nov18.nb3b.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test of NB3B pair style with pair hybrid and KSpace solver
 
 units           real
@@ -57,26 +58,46 @@ thermo          50
 ### Minimize forces in structure ###
 
 minimize        1.0e-06 1.0e-08 1000 10000
-WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
 EwaldDisp initialization ...
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-  G vector = 0.269426
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+  G vector = 0.269426   accuracy = 0.0332064
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
 Neighbor list info ...
-  4 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 4 4 4
+  binsize = 6, bins = 4 4 4
+  4 neighbor lists, perpetual/occasional/extra = 4 0 0
+  (1) pair nb3b/harmonic, perpetual
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair lj/cut/coul/long, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) pair nb3b/harmonic, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair lj/cut/coul/long, perpetual, copy from (2)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
   vectors: nbox = 6, nkvec = 478
-Memory usage per processor = 16.9507 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 20.64 | 21.18 | 22.02 Mbytes
 Step TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Lx Ly Lz Xy Xz Yz Volume 
        0   -61505.983            0            0   -61505.983    198.11978            0            0            0    5426.6842   -20935.868   -46194.919    979.72822      22.5907       22.359      23.4708            0            0            0    11855.229 
        4   -61506.604            0            0   -61506.604    198.69671            0            0            0    5460.0893   -20970.348   -46195.042      1657.43      22.5907       22.359      23.4708            0            0            0    11855.229 
-Loop time of 0.129448 on 4 procs for 4 steps with 1400 atoms
+Loop time of 0.164255 on 4 procs for 4 steps with 1400 atoms
 
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 Minimization stats:
   Stopping criterion = energy tolerance
@@ -90,14 +111,14 @@ Minimization stats:
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.082641   | 0.0934     | 0.10605    |   3.3 | 72.15
-Bond    | 7.2002e-05 | 7.9215e-05 | 8.6546e-05 |   0.1 |  0.06
-Kspace  | 0.021445   | 0.032612   | 0.04218    |   4.9 | 25.19
+Pair    | 0.11101    | 0.12473    | 0.13747    |   3.3 | 75.93
+Bond    | 5.8889e-05 | 6.2823e-05 | 6.6757e-05 |   0.0 |  0.04
+Kspace  | 0.025273   | 0.036047   | 0.047969   |   5.3 | 21.95
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0015318  | 0.0030052  | 0.0042045  |   2.1 |  2.32
+Comm    | 0.001081   | 0.0030527  | 0.0048478  |   2.8 |  1.86
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0.0003518  |            |       |  0.27
+Other   |            | 0.000367   |            |       |  0.22
 
 Nlocal:    350 ave 399 max 305 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
@@ -123,38 +144,31 @@ fix             2 all temp/rescale 10 298.0 298.0 25.0 1.0
 
 run             100
 EwaldDisp initialization ...
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-  G vector = 0.269426
-WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (../pair.cpp:216)
-Neighbor list info ...
-  4 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 12
-  ghost atom cutoff = 12
-  binsize = 6 -> bins = 4 4 4
-Memory usage per processor = 16.5757 Mbytes
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+  G vector = 0.269426   accuracy = 0.0332064
+WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions (src/pair.cpp:218)
+Per MPI rank memory allocation (min/avg/max) = 20.26 | 20.8 | 21.65 Mbytes
 Step TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Lx Ly Lz Xy Xz Yz Volume 
        4   -60263.898    1242.7057          298   -61506.604    198.69671            0            0            0    5460.0893   -20970.348   -46195.042    6449.1472      22.5907       22.359      23.4708            0            0            0    11855.229 
       50   -58769.885    1186.4036    284.49881   -59956.289    309.92499            0            0            0    6168.8458   -20249.062   -46185.998    21737.807      22.5907       22.359      23.4708            0            0            0    11855.229 
      100   -58865.196    1242.7057          298   -60107.902    371.56168            0            0            0    6422.4016   -20716.005    -46185.86    22887.006      22.5907       22.359      23.4708            0            0            0    11855.229 
      104   -58865.334    1260.1244      302.177   -60125.458    386.24491            0            0            0    6377.3686   -20705.327   -46183.745     19154.01      22.5907       22.359      23.4708            0            0            0    11855.229 
-Loop time of 2.3186 on 4 procs for 100 steps with 1400 atoms
+Loop time of 3.0299 on 4 procs for 100 steps with 1400 atoms
 
-Performance: 3.726 ns/day, 6.441 hours/ns, 43.129 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2.852 ns/day, 8.416 hours/ns, 33.004 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.7054     | 1.8352     | 1.9875     |   8.4 | 79.15
-Bond    | 0.0015972  | 0.0017807  | 0.0019476  |   0.3 |  0.08
-Kspace  | 0.21511    | 0.22245    | 0.23383    |   1.6 |  9.59
-Neigh   | 0.026175   | 0.026182   | 0.026186   |   0.0 |  1.13
-Comm    | 0.062151   | 0.21516    | 0.34573    |  24.7 |  9.28
-Output  | 0.0001421  | 0.00016701 | 0.00020218 |   0.2 |  0.01
-Modify  | 0.0021067  | 0.0031134  | 0.0037572  |   1.2 |  0.13
-Other   |            | 0.01456    |            |       |  0.63
+Pair    | 2.424      | 2.5288     | 2.6552     |   6.3 | 83.46
+Bond    | 0.0011241  | 0.0011699  | 0.0011907  |   0.1 |  0.04
+Kspace  | 0.24584    | 0.25484    | 0.26259    |   1.5 |  8.41
+Neigh   | 0.031059   | 0.031067   | 0.031075   |   0.0 |  1.03
+Comm    | 0.070014   | 0.19745    | 0.30262    |  22.7 |  6.52
+Output  | 0.00011683 | 0.0002265  | 0.00050616 |   0.0 |  0.01
+Modify  | 0.0022085  | 0.0030763  | 0.0039916  |   1.3 |  0.10
+Other   |            | 0.01331    |            |       |  0.44
 
 Nlocal:    350 ave 357 max 340 min
 Histogram: 1 0 0 0 0 0 1 1 0 1
@@ -170,4 +184,4 @@ Ave neighs/atom = 850.439
 Ave special neighs/atom = 0.8
 Neighbor list builds = 2
 Dangerous builds = 0
-Total wall time: 0:00:02
+Total wall time: 0:00:03
diff --git a/examples/nemd/log.27Nov18.nemd.g++.1 b/examples/nemd/log.27Nov18.nemd.g++.1
new file mode 100644
index 0000000000..c0989db969
--- /dev/null
+++ b/examples/nemd/log.27Nov18.nemd.g++.1
@@ -0,0 +1,137 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d NEMD simulation
+
+units		lj
+atom_style	atomic
+dimension	2
+
+lattice		sq2 0.8442
+Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
+region		box prism 0 10 0 8 -0.5 0.5 0 0 0
+create_box	2 box
+Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 160 atoms
+  Time spent = 0.000332355 secs
+mass		* 1.0
+
+velocity	all create 1.44 87287 loop geom
+
+region		slice block 4 6 INF INF INF INF
+set		region slice type 2
+  40 settings made for type
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 1.0
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1
+
+fix		1 all nvt/sllod temp 1.0 1.0 1.0 tchain 1
+fix		2 all deform 1 xy erate 0.01 remap v
+
+#dump		1 all custom 5000 dump.nemd id type x y z
+
+#dump		2 all image 1000 image.*.jpg type type adiam 1.2
+#dump_modify	2 pad 5
+
+#dump		3 all movie 1000 movie.mpg type type adiam 1.2
+#dump_modify	3 pad 5
+
+thermo		1000
+
+run		50000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.3
+  ghost atom cutoff = 1.3
+  binsize = 0.65, bins = 24 19 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/2d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.065 | 3.065 | 3.065 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0         1.44            0            0        1.431    1.2080502    189.52855 
+    1000    1.1326992   0.25863754            0    1.3842573    6.0588079    189.52855 
+    2000   0.99104643   0.37634349            0    1.3611959    7.8993387    189.52855 
+    3000    1.0749743   0.21908728            0    1.2873429    6.2659517    189.52855 
+    4000    1.0986742   0.27147022            0    1.3632777    5.8778262    189.52855 
+    5000     1.071838   0.23413372            0    1.2992728    5.9120887    189.52855 
+    6000    1.0013194   0.26923671            0    1.2642979    6.2802759    189.52855 
+    7000   0.94110685    0.3224557            0    1.2576806    6.1864166    189.52855 
+    8000   0.97391513   0.28793383            0     1.255762    6.5071893    189.52855 
+    9000   0.95346063   0.31050593            0    1.2580074    6.3321512    189.52855 
+   10000   0.96236447   0.26298203            0    1.2193317    6.4083918    189.52855 
+   11000    0.9511149   0.27571527            0    1.2208857    6.0949768    189.52855 
+   12000    1.0186935   0.18134918            0    1.1936758    5.1269128    189.52855 
+   13000   0.96350682   0.23171507            0       1.1892    5.7367267    189.52855 
+   14000   0.94740402   0.27357945            0    1.2150622    6.0156532    189.52855 
+   15000   0.87951545   0.27745111            0    1.1514696     6.297405    189.52855 
+   16000   0.93216196   0.27020559            0    1.1965415    6.6188833    189.52855 
+   17000   0.94109936   0.24756193            0    1.1827794    5.8993088    189.52855 
+   18000   0.97325239   0.27996398            0    1.2471335    6.1486561    189.52855 
+   19000    1.0494686   0.27132686            0    1.3142363    6.6757065    189.52855 
+   20000    1.0391862   0.25195457            0    1.2846459     6.143235    189.52855 
+   21000   0.96407137   0.27359166            0    1.2316376    5.9577116    189.52855 
+   22000   0.97954534   0.31920255            0    1.2926257    6.5320163    189.52855 
+   23000   0.97585473   0.24154424            0    1.2112999    6.0839179    189.52855 
+   24000    1.0522109    0.1646952            0    1.2103298    5.0388687    189.52855 
+   25000   0.93707172   0.25655806            0    1.1877731     5.819887    189.52855 
+   26000   0.89798775   0.26629627            0    1.1586716    6.0393558    189.52855 
+   27000   0.93259926   0.24542428            0    1.1721948    5.3560986    189.52855 
+   28000    0.8428223   0.20784302            0    1.0453977     4.956911    189.52855 
+   29000   0.81653505   0.21924932            0     1.030681     5.271501    189.52855 
+   30000   0.90157811   0.15070734            0    1.0466506     4.476142    189.52855 
+   31000   0.86580039   0.21115151            0    1.0715407    5.0056915    189.52855 
+   32000   0.89768096   0.28377249            0    1.1758429    5.8449711    189.52855 
+   33000    1.0504011   0.29009694            0     1.333933    6.1319155    189.52855 
+   34000    1.2009765   0.19137934            0    1.3848498    4.9643885    189.52855 
+   35000     1.208705   0.27071222            0    1.4718628    6.2162389    189.52855 
+   36000    1.2211309   0.28389521            0     1.497394    6.5090715    189.52855 
+   37000    1.1384381   0.42795547            0    1.5592783    8.5129272    189.52855 
+   38000    1.2198334   0.34335732            0    1.5555668    7.2940883    189.52855 
+   39000    1.1562045   0.35783089            0    1.5068091     7.340999    189.52855 
+   40000    1.2145924   0.28410558            0    1.4911068     6.234986    189.52855 
+   41000    1.1240878   0.34663237            0    1.4636946    7.1720193    189.52855 
+   42000    1.2491422   0.26815889            0     1.509494    6.1390803    189.52855 
+   43000    1.1387564   0.33755832            0    1.4691975    7.0577597    189.52855 
+   44000    1.0031598    0.4081807            0    1.4050708    8.2732113    189.52855 
+   45000    1.0166213   0.29131017            0    1.3015776    6.1907807    189.52855 
+   46000   0.96251302   0.31483519            0    1.2713325    6.6987235    189.52855 
+   47000   0.89809294   0.30909884            0    1.2015787    6.3997583    189.52855 
+   48000   0.86736217   0.31917648            0    1.1811176    7.1584774    189.52855 
+   49000   0.91979053   0.21099403            0    1.1250359    5.4968259    189.52855 
+   50000   0.87079959   0.24059333            0    1.1059504    5.6039305    189.52855 
+Loop time of 1.54353 on 1 procs for 50000 steps with 160 atoms
+
+Performance: 13993916.675 tau/day, 32393.326 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.20172    | 0.20172    | 0.20172    |   0.0 | 13.07
+Neigh   | 0.16634    | 0.16634    | 0.16634    |   0.0 | 10.78
+Comm    | 0.068928   | 0.068928   | 0.068928   |   0.0 |  4.47
+Output  | 0.00059891 | 0.00059891 | 0.00059891 |   0.0 |  0.04
+Modify  | 1.0123     | 1.0123     | 1.0123     |   0.0 | 65.59
+Other   |            | 0.09361    |            |       |  6.06
+
+Nlocal:    160 ave 160 max 160 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    73 ave 73 max 73 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    353 ave 353 max 353 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 353
+Ave neighs/atom = 2.20625
+Neighbor list builds = 5273
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/nemd/log.27Nov18.nemd.g++.4 b/examples/nemd/log.27Nov18.nemd.g++.4
new file mode 100644
index 0000000000..68543882b7
--- /dev/null
+++ b/examples/nemd/log.27Nov18.nemd.g++.4
@@ -0,0 +1,137 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d NEMD simulation
+
+units		lj
+atom_style	atomic
+dimension	2
+
+lattice		sq2 0.8442
+Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
+region		box prism 0 10 0 8 -0.5 0.5 0 0 0
+create_box	2 box
+Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
+  2 by 2 by 1 MPI processor grid
+create_atoms	1 box
+Created 160 atoms
+  Time spent = 0.000308275 secs
+mass		* 1.0
+
+velocity	all create 1.44 87287 loop geom
+
+region		slice block 4 6 INF INF INF INF
+set		region slice type 2
+  40 settings made for type
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 1.0
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1
+
+fix		1 all nvt/sllod temp 1.0 1.0 1.0 tchain 1
+fix		2 all deform 1 xy erate 0.01 remap v
+
+#dump		1 all custom 5000 dump.nemd id type x y z
+
+#dump		2 all image 1000 image.*.jpg type type adiam 1.2
+#dump_modify	2 pad 5
+
+#dump		3 all movie 1000 movie.mpg type type adiam 1.2
+#dump_modify	3 pad 5
+
+thermo		1000
+
+run		50000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.3
+  ghost atom cutoff = 1.3
+  binsize = 0.65, bins = 24 19 3
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/2d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.062 | 3.062 | 3.062 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0         1.44            0            0        1.431    1.2080502    189.52855 
+    1000    1.1682693   0.24486562            0    1.4058332    5.8092954    189.52855 
+    2000    1.0928734   0.27609364            0    1.3621366    6.2237017    189.52855 
+    3000      1.09088   0.24816112            0    1.3322231    5.7001547    189.52855 
+    4000    1.0110684   0.29868377            0     1.303433    7.3312319    189.52855 
+    5000   0.91033678   0.28330698            0    1.1879542    6.1840352    189.52855 
+    6000   0.93416074   0.22661127            0    1.1549335    5.3619735    189.52855 
+    7000   0.93305734   0.19203739            0    1.1192631    5.2497547    189.52855 
+    8000   0.88944438   0.19421381            0    1.0780992    4.9733446    189.52855 
+    9000   0.86949257   0.21207681            0    1.0761351    5.4687076    189.52855 
+   10000   0.80088203   0.24071142            0    1.0365879     5.334545    189.52855 
+   11000   0.88899727   0.19972767            0    1.0831687    4.8832207    189.52855 
+   12000   0.93045817   0.17883252            0    1.1034753    4.9081709    189.52855 
+   13000    0.9724196   0.19089684            0    1.1572388    5.3460903    189.52855 
+   14000   0.93902186   0.25513773            0    1.1882907    6.3338337    189.52855 
+   15000   0.91879903   0.31605547            0     1.229112    6.2085671    189.52855 
+   16000    0.9860058   0.26863362            0    1.2484769     6.514688    189.52855 
+   17000    1.0354756   0.23445357            0    1.2634574    6.1519296    189.52855 
+   18000    1.0244774   0.27511827            0    1.2931927    6.2230002    189.52855 
+   19000    1.1581216   0.21558936            0    1.3664727    5.5458237    189.52855 
+   20000    1.0552168   0.29344488            0    1.3420666    6.4880315    189.52855 
+   21000   0.97925435   0.31583414            0    1.2889681    6.7584093    189.52855 
+   22000    1.0112494   0.26246834            0    1.2673974    5.4112008    189.52855 
+   23000    1.0463332   0.26049752            0    1.3002911    6.1359606    189.52855 
+   24000    1.1130319   0.19848564            0    1.3045611    5.7088487    189.52855 
+   25000    1.0355662   0.28048951            0    1.3095834    6.4596476    189.52855 
+   26000    1.0823932   0.21784218            0    1.2934704     5.106334    189.52855 
+   27000   0.99719525   0.32679678            0    1.3177596    6.7399277    189.52855 
+   28000    1.0665868   0.25002709            0    1.3099477    6.2732557    189.52855 
+   29000    1.0312798   0.30650087            0    1.3313351    7.0581024    189.52855 
+   30000    1.0388277   0.29812912            0    1.3304641    6.2533028    189.52855 
+   31000    1.0461658   0.21344416            0    1.2530714    5.3631154    189.52855 
+   32000    1.0233681   0.27545017            0    1.2924222    5.9612896    189.52855 
+   33000    1.1353086   0.20278244            0    1.3309953    5.7619128    189.52855 
+   34000    1.0374791   0.29661216            0     1.327607    6.5124409    189.52855 
+   35000    1.0752783   0.21684443            0    1.2854022    5.4759171    189.52855 
+   36000    1.0383445   0.27068641            0    1.3025412    6.8367218    189.52855 
+   37000   0.97341144   0.24034988            0    1.2076775    6.1335996    189.52855 
+   38000    0.9285918    0.2737544            0    1.1965425    5.8750327    189.52855 
+   39000   0.84869423   0.30079207            0     1.144182    6.8909326    189.52855 
+   40000   0.88237131   0.26049171            0    1.1373482    6.3932981    189.52855 
+   41000   0.90368591   0.21064132            0    1.1086792    5.5627232    189.52855 
+   42000   0.93436749   0.20367569            0    1.1322034    5.1420052    189.52855 
+   43000   0.91378588   0.26155533            0      1.16963     6.366756    189.52855 
+   44000   0.91673608   0.25967314            0    1.1706796    6.0846334    189.52855 
+   45000    1.0233334   0.25463562            0    1.2715732    6.0924255    189.52855 
+   46000   0.96184729   0.35422095            0    1.3100567    7.0249175    189.52855 
+   47000     1.134079   0.26196034            0    1.3889514    6.3476756    189.52855 
+   48000    1.0552136     0.303812            0    1.3524305    6.6968927    189.52855 
+   49000    1.1282184    0.2100955            0    1.3312626    5.8658659    189.52855 
+   50000    1.0493816   0.31540438            0    1.3582274    6.6348173    189.52855 
+Loop time of 1.09903 on 4 procs for 50000 steps with 160 atoms
+
+Performance: 19653623.953 tau/day, 45494.500 timesteps/s
+94.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.057854   | 0.05974    | 0.062726   |   0.7 |  5.44
+Neigh   | 0.047791   | 0.049863   | 0.054819   |   1.3 |  4.54
+Comm    | 0.3581     | 0.38553    | 0.39784    |   2.6 | 35.08
+Output  | 0.001116   | 0.0014414  | 0.0023859  |   1.4 |  0.13
+Modify  | 0.41102    | 0.42642    | 0.4493     |   2.3 | 38.80
+Other   |            | 0.176      |            |       | 16.02
+
+Nlocal:    40 ave 42 max 39 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+Nghost:    36.5 ave 37 max 36 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    87.5 ave 94 max 81 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 350
+Ave neighs/atom = 2.1875
+Neighbor list builds = 5276
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/nemd/log.5Oct16.nemd.g++.1 b/examples/nemd/log.5Oct16.nemd.g++.1
deleted file mode 100644
index fb5abee6e2..0000000000
--- a/examples/nemd/log.5Oct16.nemd.g++.1
+++ /dev/null
@@ -1,130 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d NEMD simulation
-
-units		lj
-atom_style	atomic
-dimension	2
-
-lattice		sq2 0.8442
-Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
-region		box prism 0 10 0 8 -0.5 0.5 0 0 0
-create_box	2 box
-Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
-  1 by 1 by 1 MPI processor grid
-create_atoms	1 box
-Created 160 atoms
-mass		* 1.0
-
-velocity	all create 1.44 87287 loop geom
-
-region		slice block 4 6 INF INF INF INF
-set		region slice type 2
-  40 settings made for type
-
-pair_style	lj/cut 2.5
-pair_coeff	* * 1.0 1.0 1.0
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1
-
-fix		1 all nvt/sllod temp 1.0 1.0 1.0 tchain 1
-fix		2 all deform 1 xy erate 0.01 remap v
-
-#dump		1 all custom 5000 dump.nemd id type x y z
-
-#dump		2 all image 1000 image.*.jpg type type adiam 1.2
-#dump_modify	2 pad 5
-
-#dump		3 all movie 1000 movie.mpg type type adiam 1.2
-#dump_modify	3 pad 5
-
-thermo		1000
-
-run		50000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 24 19 3
-Memory usage per processor = 2.49357 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0         1.44            0            0        1.431    1.2080502    189.52855 
-    1000    1.1326992   0.25863754            0    1.3842573    6.0588079    189.52855 
-    2000    1.0158438   0.33502643            0    1.3445212    7.2638652    189.52855 
-    3000    1.0968167    0.3149227            0    1.4048843    7.0653223    189.52855 
-    4000    1.0070993   0.40611915            0    1.4069241    7.7283521    189.52855 
-    5000    1.1153133    0.2674828            0    1.3758254    6.2949171    189.52855 
-    6000    1.0170665   0.25843673            0    1.2691466     6.049412    189.52855 
-    7000    1.0224605   0.20974914            0    1.2258193    5.5104976    189.52855 
-    8000   0.96149374   0.24035439            0    1.1958388    5.4179146    189.52855 
-    9000   0.87759014    0.2590493            0    1.1311545    5.8711239    189.52855 
-   10000   0.83791968   0.23477897            0    1.0674617     5.666904    189.52855 
-   11000   0.87702487   0.22958877            0    1.1011322    5.9068062    189.52855 
-   12000   0.81507294   0.26375817            0    1.0737369    5.9166925    189.52855 
-   13000   0.85655284   0.24676491            0    1.0979643    5.6918734    189.52855 
-   14000   0.84369293   0.27818471            0    1.1166046    6.4146184    189.52855 
-   15000   0.90052173   0.19836095            0    1.0932544    5.2690913    189.52855 
-   16000   0.83836874   0.26921637            0    1.1023453    5.9579526    189.52855 
-   17000   0.90492897   0.21933098            0    1.1186041    5.6042194    189.52855 
-   18000   0.90113412   0.24880908            0    1.1443111    6.0634846    189.52855 
-   19000    1.0160445   0.17252962            0    1.1822239    5.3149334    189.52855 
-   20000   0.96217234    0.2414377            0    1.1975965     5.476653    189.52855 
-   21000   0.98229664   0.27569118            0    1.2518485    5.9340174    189.52855 
-   22000    1.0551763   0.26997615            0    1.3185576    6.2094112    189.52855 
-   23000     1.051999   0.34076639            0    1.3861904     7.082385    189.52855 
-   24000    1.1350071   0.23701844            0    1.3649317    6.1829742    189.52855 
-   25000    1.0946409   0.33366032            0    1.4214597    7.1907559    189.52855 
-   26000    1.1511799   0.24626808            0    1.3902531    5.8469984    189.52855 
-   27000    1.1009203   0.25653085            0    1.3505704    6.1504287    189.52855 
-   28000    1.0521302    0.2876798            0    1.3332342    5.9906187    189.52855 
-   29000    1.0518465      0.21853            0    1.2638025    5.6577549    189.52855 
-   30000   0.97264625   0.28758145            0    1.2541487    6.5769804    189.52855 
-   31000    1.0133579   0.31575837            0    1.3227828    6.6650893    189.52855 
-   32000    1.0714324   0.28757036            0    1.3523063    6.2682059    189.52855 
-   33000    1.0739451   0.28062459            0    1.3478575    6.6862746    189.52855 
-   34000    1.0056867   0.38289586            0     1.382297    7.1120131    189.52855 
-   35000    1.0911349   0.26370939            0    1.3480247    6.1476048    189.52855 
-   36000    1.0618618   0.28269593            0    1.3379211    6.9414608    189.52855 
-   37000    1.0704991   0.29974994            0    1.3635585    7.0834346    189.52855 
-   38000    1.1087507    0.2682201            0    1.3700411    5.8506019    189.52855 
-   39000    1.1303733   0.22362416            0    1.3469326    5.2500269    189.52855 
-   40000    1.0174248   0.28956571            0    1.3006316    6.4491571    189.52855 
-   41000   0.95981887   0.29162143            0    1.2454414    6.4658646    189.52855 
-   42000   0.88302144   0.30432252            0    1.1818251    6.7401923    189.52855 
-   43000   0.93164419   0.25110308            0    1.1769245    5.9067383    189.52855 
-   44000   0.98352598   0.23322873            0    1.2106077    5.5606585    189.52855 
-   45000    1.0247245   0.26503082            0    1.2833508     6.533394    189.52855 
-   46000   0.93004532   0.32277782            0    1.2470104    6.4689179    189.52855 
-   47000    1.0653176   0.29185413            0    1.3505135    6.9534569    189.52855 
-   48000    1.0401524    0.3420245            0    1.3756759    6.8016042    189.52855 
-   49000    1.0023407   0.31833091            0     1.314407    6.7385662    189.52855 
-   50000    1.0566272   0.28657142            0    1.3365947     6.261203    189.52855 
-Loop time of 1.14585 on 1 procs for 50000 steps with 160 atoms
-
-Performance: 18850616.224 tau/day, 43635.686 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.19375    | 0.19375    | 0.19375    |   0.0 | 16.91
-Neigh   | 0.17407    | 0.17407    | 0.17407    |   0.0 | 15.19
-Comm    | 0.046638   | 0.046638   | 0.046638   |   0.0 |  4.07
-Output  | 0.0003221  | 0.0003221  | 0.0003221  |   0.0 |  0.03
-Modify  | 0.66586    | 0.66586    | 0.66586    |   0.0 | 58.11
-Other   |            | 0.06522    |            |       |  5.69
-
-Nlocal:    160 ave 160 max 160 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    71 ave 71 max 71 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    362 ave 362 max 362 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 362
-Ave neighs/atom = 2.2625
-Neighbor list builds = 5256
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/nemd/log.5Oct16.nemd.g++.4 b/examples/nemd/log.5Oct16.nemd.g++.4
deleted file mode 100644
index 7738d64e2e..0000000000
--- a/examples/nemd/log.5Oct16.nemd.g++.4
+++ /dev/null
@@ -1,130 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d NEMD simulation
-
-units		lj
-atom_style	atomic
-dimension	2
-
-lattice		sq2 0.8442
-Lattice spacing in x,y,z = 1.53919 1.53919 1.53919
-region		box prism 0 10 0 8 -0.5 0.5 0 0 0
-create_box	2 box
-Created triclinic box = (0 0 -0.769595) to (15.3919 12.3135 0.769595) with tilt (0 0 0)
-  2 by 2 by 1 MPI processor grid
-create_atoms	1 box
-Created 160 atoms
-mass		* 1.0
-
-velocity	all create 1.44 87287 loop geom
-
-region		slice block 4 6 INF INF INF INF
-set		region slice type 2
-  40 settings made for type
-
-pair_style	lj/cut 2.5
-pair_coeff	* * 1.0 1.0 1.0
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1
-
-fix		1 all nvt/sllod temp 1.0 1.0 1.0 tchain 1
-fix		2 all deform 1 xy erate 0.01 remap v
-
-#dump		1 all custom 5000 dump.nemd id type x y z
-
-#dump		2 all image 1000 image.*.jpg type type adiam 1.2
-#dump_modify	2 pad 5
-
-#dump		3 all movie 1000 movie.mpg type type adiam 1.2
-#dump_modify	3 pad 5
-
-thermo		1000
-
-run		50000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 24 19 3
-Memory usage per processor = 2.49198 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0         1.44            0            0        1.431    1.2080502    189.52855 
-    1000    1.1682693   0.24486562            0    1.4058332    5.8092954    189.52855 
-    2000    1.0928734   0.27609364            0    1.3621366    6.2237017    189.52855 
-    3000    1.0895801   0.24812344            0    1.3308937    5.6987334    189.52855 
-    4000    1.0231536   0.23938192            0    1.2561408    5.6395384    189.52855 
-    5000   0.92980496   0.29549086            0    1.2194845    6.7361058    189.52855 
-    6000   0.94654468   0.27175873            0    1.2123875    6.1830354    189.52855 
-    7000      1.04513   0.19555104            0     1.234149    5.3099904    189.52855 
-    8000   0.90165043   0.33774203            0    1.2337571    6.8441345    189.52855 
-    9000    1.0559475   0.21527383            0    1.2646217    5.3936713    189.52855 
-   10000    1.0316023   0.25162907            0    1.2767839    6.0630699    189.52855 
-   11000    1.0057873    0.1929355            0    1.1924366    5.1939416    189.52855 
-   12000   0.95976424   0.23631857            0    1.1900843    5.1197849    189.52855 
-   13000   0.96228689    0.2359206            0    1.1921932    5.8485377    189.52855 
-   14000   0.92347491   0.28934379            0     1.207047    6.7279587    189.52855 
-   15000   0.98798195   0.25310368            0    1.2349107    5.5744542    189.52855 
-   16000   0.93800257   0.39455603            0    1.3266961    7.5939651    189.52855 
-   17000    1.1781148   0.21856228            0    1.3893138    5.8347428    189.52855 
-   18000    1.1292943   0.26429204            0    1.3865283    6.0510955    189.52855 
-   19000    1.1047406   0.37926848            0    1.4771045    8.1596576    189.52855 
-   20000    1.1716353   0.34662527            0    1.5109379    7.4616642    189.52855 
-   21000    1.1630831   0.35981763            0    1.5156314    7.1024447    189.52855 
-   22000    1.1249714   0.28308559            0    1.4010259    6.4004855    189.52855 
-   23000    1.1062056   0.28618757            0    1.3854794    6.4957851    189.52855 
-   24000    1.0588756   0.31727536            0     1.369533     6.987661    189.52855 
-   25000    1.0379506   0.30773124            0    1.3391947    6.3814122    189.52855 
-   26000    1.0316899   0.25596718            0     1.281209    6.4851096    189.52855 
-   27000   0.95909019   0.32282679            0    1.2759227     6.480673    189.52855 
-   28000    1.0224651   0.24795447            0    1.2640291    5.5846145    189.52855 
-   29000   0.98739892   0.24878333            0     1.230011    5.6749101    189.52855 
-   30000    1.0099165   0.22964407            0    1.2332486    5.3791167    189.52855 
-   31000   0.93350481    0.2879577            0    1.2156281    6.2148818    189.52855 
-   32000   0.99089487   0.22340991            0    1.2081117        5.639    189.52855 
-   33000   0.89519123   0.26943351            0    1.1590298    6.3869898    189.52855 
-   34000     0.891093   0.28473528            0    1.1702589    6.0284238    189.52855 
-   35000   0.83575157   0.25811245            0    1.0886406    6.4030425    189.52855 
-   36000   0.81108815   0.26558543            0    1.0716043    6.3037393    189.52855 
-   37000   0.92476501   0.18404704            0    1.1030323    5.3793557    189.52855 
-   38000   0.85121163    0.2792429            0    1.1251345    5.9668051    189.52855 
-   39000   0.90345348    0.2399627            0    1.1377696    6.1440023    189.52855 
-   40000   0.93871579    0.2217328            0    1.1545816    4.9454727    189.52855 
-   41000    1.0132854   0.25226008            0    1.2592124    6.2541531    189.52855 
-   42000   0.98600788   0.27213553            0    1.2519809    6.0321859    189.52855 
-   43000    1.0635948   0.27086236            0    1.3278097    6.6622232    189.52855 
-   44000    1.0332292   0.36613701            0    1.3929085    7.4935675    189.52855 
-   45000    1.1168224    0.3374366            0    1.4472788    7.3625776    189.52855 
-   46000    1.0725949   0.37916007            0    1.4450513    6.8897095    189.52855 
-   47000    1.0940234   0.35474661            0    1.4419324    7.4781317    189.52855 
-   48000    1.1093597   0.26705754            0    1.3694837    5.8401116    189.52855 
-   49000    1.0803976   0.29555751            0    1.3692026    6.4769008    189.52855 
-   50000    1.0150244   0.29822696            0    1.3069075    6.4417197    189.52855 
-Loop time of 0.89762 on 4 procs for 50000 steps with 160 atoms
-
-Performance: 24063642.337 tau/day, 55702.876 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.049302   | 0.050204   | 0.051269   |   0.3 |  5.59
-Neigh   | 0.047954   | 0.048719   | 0.049847   |   0.3 |  5.43
-Comm    | 0.32267    | 0.33536    | 0.34668    |   1.5 | 37.36
-Output  | 0.00076675 | 0.00081015 | 0.00093508 |   0.3 |  0.09
-Modify  | 0.30312    | 0.31088    | 0.31853    |   1.0 | 34.63
-Other   |            | 0.1516     |            |       | 16.89
-
-Nlocal:    40 ave 42 max 38 min
-Histogram: 1 0 1 0 0 0 0 1 0 1
-Nghost:    35.5 ave 37 max 34 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-Neighs:    88.75 ave 96 max 79 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-
-Total # of neighbors = 355
-Ave neighs/atom = 2.21875
-Neighbor list builds = 5284
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/obstacle/log.5Oct16.obstacle.g++.1 b/examples/obstacle/log.27Nov18.obstacle.g++.1
similarity index 82%
rename from examples/obstacle/log.5Oct16.obstacle.g++.1
rename to examples/obstacle/log.27Nov18.obstacle.g++.1
index 7d1a1a8c7d..68db45ee7e 100644
--- a/examples/obstacle/log.5Oct16.obstacle.g++.1
+++ b/examples/obstacle/log.27Nov18.obstacle.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d LJ obstacle flow
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 840 atoms
+  Time spent = 0.0004704 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -80,7 +82,7 @@ fix		9 all enforce2d
 timestep	0.003
 thermo		1000
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 100 dump.obstacle
 
@@ -92,13 +94,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		25000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 73 32 1
-Memory usage per processor = 2.47903 Mbytes
+  binsize = 0.71123, bins = 73 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.055 | 3.055 | 3.055 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    1.0027471            0            0   0.68849216   0.46317653    1143.0857 
     1000            1  -0.33689286            0   0.34971312    1.2905426    1286.7728 
@@ -126,20 +133,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    23000            1  -0.39249509            0   0.29411089   0.97187435    1459.6771 
    24000            1  -0.33410442            0   0.35250156   0.93960021    1463.5903 
    25000            1  -0.37437615            0   0.31222983    0.9644765    1464.9391 
-Loop time of 1.64517 on 1 procs for 25000 steps with 769 atoms
+Loop time of 1.98053 on 1 procs for 25000 steps with 769 atoms
 
-Performance: 3938793.608 tau/day, 15195.963 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 3271856.949 tau/day, 12622.905 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.5054     | 0.5054     | 0.5054     |   0.0 | 30.72
-Neigh   | 0.17887    | 0.17887    | 0.17887    |   0.0 | 10.87
-Comm    | 0.022527   | 0.022527   | 0.022527   |   0.0 |  1.37
-Output  | 0.00023794 | 0.00023794 | 0.00023794 |   0.0 |  0.01
-Modify  | 0.85127    | 0.85127    | 0.85127    |   0.0 | 51.74
-Other   |            | 0.08687    |            |       |  5.28
+Pair    | 0.46219    | 0.46219    | 0.46219    |   0.0 | 23.34
+Neigh   | 0.17       | 0.17       | 0.17       |   0.0 |  8.58
+Comm    | 0.029093   | 0.029093   | 0.029093   |   0.0 |  1.47
+Output  | 0.00041389 | 0.00041389 | 0.00041389 |   0.0 |  0.02
+Modify  | 1.22       | 1.22       | 1.22       |   0.0 | 61.60
+Other   |            | 0.09888    |            |       |  4.99
 
 Nlocal:    769 ave 769 max 769 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/obstacle/log.5Oct16.obstacle.g++.4 b/examples/obstacle/log.27Nov18.obstacle.g++.4
similarity index 82%
rename from examples/obstacle/log.5Oct16.obstacle.g++.4
rename to examples/obstacle/log.27Nov18.obstacle.g++.4
index 5bd84740e4..ed80fabf9b 100644
--- a/examples/obstacle/log.5Oct16.obstacle.g++.4
+++ b/examples/obstacle/log.27Nov18.obstacle.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d LJ obstacle flow
 
 dimension	2
@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
   4 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 840 atoms
+  Time spent = 0.000343561 secs
 
 mass		1 1.0
 mass		2 1.0
@@ -80,7 +82,7 @@ fix		9 all enforce2d
 timestep	0.003
 thermo		1000
 thermo_modify	temp mobile
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 #dump		1 all atom 100 dump.obstacle
 
@@ -92,13 +94,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
 
 run		25000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.42246
   ghost atom cutoff = 1.42246
-  binsize = 0.71123 -> bins = 73 32 1
-Memory usage per processor = 2.47142 Mbytes
+  binsize = 0.71123, bins = 73 32 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    1.0004177            0            0   0.68689281   0.46210058    1143.0857 
     1000            1  -0.32494012            0   0.36166587    1.2240503    1282.5239 
@@ -126,20 +133,20 @@ Step Temp E_pair E_mol TotEng Press Volume
    23000            1  -0.37327871            0   0.31332728    1.0623185    1453.1342 
    24000            1  -0.40040333            0   0.28620265   0.94983886    1459.4461 
    25000            1  -0.37645924            0   0.31014674    1.0526044    1458.7191 
-Loop time of 0.821326 on 4 procs for 25000 steps with 769 atoms
+Loop time of 0.950647 on 4 procs for 25000 steps with 769 atoms
 
-Performance: 7889678.376 tau/day, 30438.574 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 6816413.742 tau/day, 26297.893 timesteps/s
+95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.064561   | 0.12703    | 0.20657    |  15.5 | 15.47
-Neigh   | 0.036315   | 0.04798    | 0.06249    |   4.4 |  5.84
-Comm    | 0.14793    | 0.21791    | 0.27951    |  10.6 | 26.53
-Output  | 0.00043583 | 0.00046438 | 0.00054574 |   0.2 |  0.06
-Modify  | 0.27754    | 0.31239    | 0.3371     |   3.9 | 38.03
-Other   |            | 0.1156     |            |       | 14.07
+Pair    | 0.068658   | 0.11988    | 0.18819    |  13.5 | 12.61
+Neigh   | 0.034307   | 0.046836   | 0.063159   |   5.0 |  4.93
+Comm    | 0.1325     | 0.21714    | 0.27078    |  11.3 | 22.84
+Output  | 0.00052547 | 0.00096804 | 0.0022867  |   0.0 |  0.10
+Modify  | 0.37752    | 0.41834    | 0.48768    |   6.5 | 44.01
+Other   |            | 0.1475     |            |       | 15.51
 
 Nlocal:    192.25 ave 243 max 151 min
 Histogram: 1 1 0 0 0 0 1 0 0 1

From 46bf4b7efb7952ff807d840df1d7dc29f9d0b2c1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 14:51:25 -0500
Subject: [PATCH 231/273] update log files for peptide, peri, pour and python
 examples

---
 ...eptide.g++.1 => log.27Nov18.peptide.g++.1} |  92 +++----
 ...eptide.g++.4 => log.27Nov18.peptide.g++.4} | 100 ++++----
 ...i.eps.g++.1 => log.27Nov18.peri.eps.g++.1} |  45 ++--
 ...i.eps.g++.4 => log.27Nov18.peri.eps.g++.4} |  53 ++--
 ...i.lps.g++.1 => log.27Nov18.peri.lps.g++.1} |  43 ++--
 ...i.lps.g++.4 => log.27Nov18.peri.lps.g++.4} |  55 +++--
 ...i.pmb.g++.1 => log.27Nov18.peri.pmb.g++.1} |  29 +--
 ...i.pmb.g++.4 => log.27Nov18.peri.pmb.g++.4} |  39 +--
 ...i.ves.g++.1 => log.27Nov18.peri.ves.g++.1} |  45 ++--
 ...i.ves.g++.4 => log.27Nov18.peri.ves.g++.4} |  55 +++--
 ...our.2d.g++.1 => log.27Nov18.pour.2d.g++.1} |  36 +--
 ...our.2d.g++.4 => log.27Nov18.pour.2d.g++.4} |  34 +--
 ...+.1 => log.27Nov18.pour.2d.molecule.g++.1} |  46 ++--
 ...+.4 => log.27Nov18.pour.2d.molecule.g++.4} |  46 ++--
 ...ct16.pour.g++.1 => log.27Nov18.pour.g++.1} |  56 +++--
 ...ct16.pour.g++.4 => log.27Nov18.pour.g++.4} |  54 ++--
 .../log.27Nov18.fix_python_invoke.g++.1       | 100 ++++++++
 .../log.27Nov18.fix_python_invoke.g++.4       | 100 ++++++++
 ...log.27Nov18.fix_python_move_nve_melt.g++.1 |  77 ++++++
 ...log.27Nov18.fix_python_move_nve_melt.g++.4 |  77 ++++++
 ...27Nov18.fix_python_move_nve_melt_opt.g++.1 |  77 ++++++
 ...27Nov18.fix_python_move_nve_melt_opt.g++.4 |  77 ++++++
 .../log.27Nov18.pair_python_coulomb.g++.1     | 178 ++++++++++++++
 .../log.27Nov18.pair_python_coulomb.g++.4     | 178 ++++++++++++++
 ...1 => log.27Nov18.pair_python_hybrid.g++.1} | 111 ++++++---
 ...4 => log.27Nov18.pair_python_hybrid.g++.4} | 111 ++++++---
 ...+.1 => log.27Nov18.pair_python_long.g++.1} |  60 ++---
 ...+.4 => log.27Nov18.pair_python_long.g++.4} |  60 ++---
 ...+.1 => log.27Nov18.pair_python_melt.g++.1} |  67 ++---
 ...+.4 => log.27Nov18.pair_python_melt.g++.4} |  67 ++---
 ...+.1 => log.27Nov18.pair_python_spce.g++.1} |  30 +--
 ...+.4 => log.27Nov18.pair_python_spce.g++.4} |  30 +--
 ....1 => log.27Nov18.pair_python_table.g++.1} |  27 +-
 ....4 => log.27Nov18.pair_python_table.g++.4} |  25 +-
 ....python.g++.1 => log.27Nov18.python.g++.1} | 231 +++++++-----------
 ....python.g++.4 => log.27Nov18.python.g++.4} | 231 +++++++-----------
 .../python/log.4May17.pair_python_coulomb.1   | 178 --------------
 .../log.4May17.pair_python_coulomb.g++.1      | 138 -----------
 .../log.4May17.pair_python_coulomb.g++.4      | 138 -----------
 39 files changed, 1843 insertions(+), 1353 deletions(-)
 rename examples/peptide/{log.5Oct16.peptide.g++.1 => log.27Nov18.peptide.g++.1} (67%)
 rename examples/peptide/{log.5Oct16.peptide.g++.4 => log.27Nov18.peptide.g++.4} (64%)
 rename examples/peri/{log.6Jul17.peri.eps.g++.1 => log.27Nov18.peri.eps.g++.1} (65%)
 rename examples/peri/{log.6Jul17.peri.eps.g++.4 => log.27Nov18.peri.eps.g++.4} (62%)
 rename examples/peri/{log.6Jul17.peri.lps.g++.1 => log.27Nov18.peri.lps.g++.1} (66%)
 rename examples/peri/{log.6Jul17.peri.lps.g++.4 => log.27Nov18.peri.lps.g++.4} (61%)
 rename examples/peri/{log.6Jul17.peri.pmb.g++.1 => log.27Nov18.peri.pmb.g++.1} (80%)
 rename examples/peri/{log.6Jul17.peri.pmb.g++.4 => log.27Nov18.peri.pmb.g++.4} (77%)
 rename examples/peri/{log.6Jul17.peri.ves.g++.1 => log.27Nov18.peri.ves.g++.1} (65%)
 rename examples/peri/{log.6Jul17.peri.ves.g++.4 => log.27Nov18.peri.ves.g++.4} (61%)
 rename examples/pour/{log.5Oct16.pour.2d.g++.1 => log.27Nov18.pour.2d.g++.1} (78%)
 rename examples/pour/{log.5Oct16.pour.2d.g++.4 => log.27Nov18.pour.2d.g++.4} (78%)
 rename examples/pour/{log.5Oct16.pour.2d.molecule.g++.1 => log.27Nov18.pour.2d.molecule.g++.1} (78%)
 rename examples/pour/{log.5Oct16.pour.2d.molecule.g++.4 => log.27Nov18.pour.2d.molecule.g++.4} (78%)
 rename examples/pour/{log.5Oct16.pour.g++.1 => log.27Nov18.pour.g++.1} (77%)
 rename examples/pour/{log.5Oct16.pour.g++.4 => log.27Nov18.pour.g++.4} (77%)
 create mode 100644 examples/python/log.27Nov18.fix_python_invoke.g++.1
 create mode 100644 examples/python/log.27Nov18.fix_python_invoke.g++.4
 create mode 100644 examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1
 create mode 100644 examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4
 create mode 100644 examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1
 create mode 100644 examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4
 create mode 100644 examples/python/log.27Nov18.pair_python_coulomb.g++.1
 create mode 100644 examples/python/log.27Nov18.pair_python_coulomb.g++.4
 rename examples/python/{log.4May17.pair_python_hybrid.g++.1 => log.27Nov18.pair_python_hybrid.g++.1} (65%)
 rename examples/python/{log.4May17.pair_python_hybrid.g++.4 => log.27Nov18.pair_python_hybrid.g++.4} (65%)
 rename examples/python/{log.4May17.pair_python_long.g++.1 => log.27Nov18.pair_python_long.g++.1} (63%)
 rename examples/python/{log.4May17.pair_python_long.g++.4 => log.27Nov18.pair_python_long.g++.4} (63%)
 rename examples/python/{log.4May17.pair_python_melt.g++.1 => log.27Nov18.pair_python_melt.g++.1} (73%)
 rename examples/python/{log.4May17.pair_python_melt.g++.4 => log.27Nov18.pair_python_melt.g++.4} (73%)
 rename examples/python/{log.4May17.pair_python_spce.g++.1 => log.27Nov18.pair_python_spce.g++.1} (79%)
 rename examples/python/{log.4May17.pair_python_spce.g++.4 => log.27Nov18.pair_python_spce.g++.4} (79%)
 rename examples/python/{log.4May17.pair_python_table.g++.1 => log.27Nov18.pair_python_table.g++.1} (77%)
 rename examples/python/{log.4May17.pair_python_table.g++.4 => log.27Nov18.pair_python_table.g++.4} (78%)
 rename examples/python/{log.5Oct16.python.g++.1 => log.27Nov18.python.g++.1} (53%)
 rename examples/python/{log.5Oct16.python.g++.4 => log.27Nov18.python.g++.4} (53%)
 delete mode 100644 examples/python/log.4May17.pair_python_coulomb.1
 delete mode 100644 examples/python/log.4May17.pair_python_coulomb.g++.1
 delete mode 100644 examples/python/log.4May17.pair_python_coulomb.g++.4

diff --git a/examples/peptide/log.5Oct16.peptide.g++.1 b/examples/peptide/log.27Nov18.peptide.g++.1
similarity index 67%
rename from examples/peptide/log.5Oct16.peptide.g++.1
rename to examples/peptide/log.27Nov18.peptide.g++.1
index 19b9646778..3999ca36cb 100644
--- a/examples/peptide/log.5Oct16.peptide.g++.1
+++ b/examples/peptide/log.27Nov18.peptide.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
 units		real
@@ -70,7 +71,7 @@ group		peptide type <= 12
 
 run		300
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
@@ -79,12 +80,17 @@ WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
   using double precision FFTs
   3d grid and FFT values/proc = 10648 3375
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 5 5 5
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 SHAKE stats (type/ave/delta) on step 0
   4 1.111 1.44264e-05
   6 0.996998 7.26967e-06
@@ -94,13 +100,13 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Memory usage per processor = 15.5934 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
 ---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
 TotEng   =     -5237.4580 KinEng   =      1134.9186 Temp     =       282.1005 
 PotEng   =     -6372.3766 E_bond   =        16.5572 E_angle  =        36.3726 
 E_dihed  =        15.5190 E_impro  =         1.9426 E_vdwl   =       692.8945 
 E_coul   =     26772.2646 E_long   =    -33907.9271 Press    =      -837.0112 
----------------- Step       50 ----- CPU =      0.9457 (sec) ----------------
+---------------- Step       50 ----- CPU =      1.0190 (sec) ----------------
 TotEng   =     -5247.5537 KinEng   =      1132.4000 Temp     =       281.4745 
 PotEng   =     -6379.9537 E_bond   =        12.2118 E_angle  =        31.7365 
 E_dihed  =        18.8145 E_impro  =         2.3611 E_vdwl   =       658.1785 
@@ -114,77 +120,77 @@ SHAKE stats (type/ave/delta) on step 100
   14 0.96 0
   18 0.957201 5.3796e-06
   31 104.52 0.000502278
----------------- Step      100 ----- CPU =      1.9163 (sec) ----------------
+---------------- Step      100 ----- CPU =      2.0505 (sec) ----------------
 TotEng   =     -5257.9979 KinEng   =      1078.0553 Temp     =       267.9663 
 PotEng   =     -6336.0532 E_bond   =        14.4829 E_angle  =        43.4429 
 E_dihed  =        15.2569 E_impro  =         2.3160 E_vdwl   =       708.3273 
 E_coul   =     26786.6829 E_long   =    -33906.5621 Press    =      -648.6819 
----------------- Step      150 ----- CPU =      2.9286 (sec) ----------------
-TotEng   =     -5287.2798 KinEng   =      1098.6028 Temp     =       273.0737 
+---------------- Step      150 ----- CPU =      3.1208 (sec) ----------------
+TotEng   =     -5287.2799 KinEng   =      1098.6028 Temp     =       273.0737 
 PotEng   =     -6385.8827 E_bond   =        17.4925 E_angle  =        32.8594 
 E_dihed  =        15.1624 E_impro  =         1.6522 E_vdwl   =       736.9675 
 E_coul   =     26717.2655 E_long   =    -33907.2821 Press    =      -333.1829 
 SHAKE stats (type/ave/delta) on step 200
   4 1.111 2.18698e-07
-  6 0.997 1.50562e-07
-  8 1.08 6.57498e-08
+  6 0.997 1.50563e-07
+  8 1.08 6.57499e-08
   10 1.111 5.54188e-07
-  12 1.08 1.98839e-07
+  12 1.08 1.9884e-07
   14 0.96 0
   18 0.957201 3.59627e-06
   31 104.52 0.000388335
----------------- Step      200 ----- CPU =      3.8703 (sec) ----------------
-TotEng   =     -5308.4467 KinEng   =      1100.4874 Temp     =       273.5421 
+---------------- Step      200 ----- CPU =      4.1320 (sec) ----------------
+TotEng   =     -5308.4468 KinEng   =      1100.4873 Temp     =       273.5421 
 PotEng   =     -6408.9341 E_bond   =        18.2714 E_angle  =        33.3040 
 E_dihed  =        16.8150 E_impro  =         2.6051 E_vdwl   =       686.3221 
-E_coul   =     26736.1319 E_long   =    -33902.3837 Press    =     -1470.3400 
----------------- Step      250 ----- CPU =      4.8652 (sec) ----------------
-TotEng   =     -5294.1569 KinEng   =      1071.0938 Temp     =       266.2359 
-PotEng   =     -6365.2507 E_bond   =        14.2013 E_angle  =        39.1996 
+E_coul   =     26736.1319 E_long   =    -33902.3837 Press    =     -1470.3401 
+---------------- Step      250 ----- CPU =      5.2131 (sec) ----------------
+TotEng   =     -5294.1568 KinEng   =      1071.0940 Temp     =       266.2360 
+PotEng   =     -6365.2508 E_bond   =        14.2013 E_angle  =        39.1996 
 E_dihed  =        19.4585 E_impro  =         3.1407 E_vdwl   =       753.4590 
-E_coul   =     26714.0040 E_long   =    -33908.7139 Press    =      -189.6059 
+E_coul   =     26714.0039 E_long   =    -33908.7139 Press    =      -189.6057 
 SHAKE stats (type/ave/delta) on step 300
-  4 1.111 3.79044e-06
+  4 1.111 3.79043e-06
   6 0.997001 3.6052e-06
   8 1.08 2.09369e-06
   10 1.111 5.6484e-06
-  12 1.08 2.10677e-06
+  12 1.08 2.10676e-06
   14 0.96 0
-  18 0.957202 7.72576e-06
-  31 104.52 0.000806204
----------------- Step      300 ----- CPU =      5.8596 (sec) ----------------
-TotEng   =     -5251.3637 KinEng   =      1123.7718 Temp     =       279.3298 
-PotEng   =     -6375.1355 E_bond   =        14.2206 E_angle  =        38.4274 
-E_dihed  =        18.1674 E_impro  =         2.3734 E_vdwl   =       715.3473 
-E_coul   =     26745.4074 E_long   =    -33909.0791 Press    =      -471.5505 
-Loop time of 5.85959 on 1 procs for 300 steps with 2004 atoms
+  18 0.957202 7.72571e-06
+  31 104.52 0.000806203
+---------------- Step      300 ----- CPU =      6.2919 (sec) ----------------
+TotEng   =     -5251.3662 KinEng   =      1123.7719 Temp     =       279.3299 
+PotEng   =     -6375.1381 E_bond   =        14.2206 E_angle  =        38.4274 
+E_dihed  =        18.1674 E_impro  =         2.3734 E_vdwl   =       715.3476 
+E_coul   =     26745.4045 E_long   =    -33909.0791 Press    =      -471.5904 
+Loop time of 6.29195 on 1 procs for 300 steps with 2004 atoms
 
-Performance: 8.847 ns/day, 2.713 hours/ns, 51.198 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 8.239 ns/day, 2.913 hours/ns, 47.680 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 4.6289     | 4.6289     | 4.6289     |   0.0 | 79.00
-Bond    | 0.013405   | 0.013405   | 0.013405   |   0.0 |  0.23
-Kspace  | 0.47821    | 0.47821    | 0.47821    |   0.0 |  8.16
-Neigh   | 0.64447    | 0.64447    | 0.64447    |   0.0 | 11.00
-Comm    | 0.026137   | 0.026137   | 0.026137   |   0.0 |  0.45
-Output  | 0.00018501 | 0.00018501 | 0.00018501 |   0.0 |  0.00
-Modify  | 0.062095   | 0.062095   | 0.062095   |   0.0 |  1.06
-Other   |            | 0.006195   |            |       |  0.11
+Pair    | 4.8228     | 4.8228     | 4.8228     |   0.0 | 76.65
+Bond    | 0.0094063  | 0.0094063  | 0.0094063  |   0.0 |  0.15
+Kspace  | 0.523      | 0.523      | 0.523      |   0.0 |  8.31
+Neigh   | 0.82602    | 0.82602    | 0.82602    |   0.0 | 13.13
+Comm    | 0.03742    | 0.03742    | 0.03742    |   0.0 |  0.59
+Output  | 0.00022697 | 0.00022697 | 0.00022697 |   0.0 |  0.00
+Modify  | 0.068182   | 0.068182   | 0.068182   |   0.0 |  1.08
+Other   |            | 0.00493    |            |       |  0.08
 
 Nlocal:    2004 ave 2004 max 2004 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    11185 ave 11185 max 11185 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    708018 ave 708018 max 708018 min
+Neighs:    708019 ave 708019 max 708019 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 708018
-Ave neighs/atom = 353.302
+Total # of neighbors = 708019
+Ave neighs/atom = 353.303
 Ave special neighs/atom = 2.34032
 Neighbor list builds = 26
 Dangerous builds = 0
 
-Total wall time: 0:00:05
+Total wall time: 0:00:06
diff --git a/examples/peptide/log.5Oct16.peptide.g++.4 b/examples/peptide/log.27Nov18.peptide.g++.4
similarity index 64%
rename from examples/peptide/log.5Oct16.peptide.g++.4
rename to examples/peptide/log.27Nov18.peptide.g++.4
index 5d43e6e546..bb9e3771c4 100644
--- a/examples/peptide/log.5Oct16.peptide.g++.4
+++ b/examples/peptide/log.27Nov18.peptide.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
 units		real
@@ -70,7 +71,7 @@ group		peptide type <= 12
 
 run		300
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
@@ -79,12 +80,17 @@ WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
   using double precision FFTs
   3d grid and FFT values/proc = 4312 960
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 12
-  binsize = 6 -> bins = 5 5 5
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 SHAKE stats (type/ave/delta) on step 0
   4 1.111 1.44264e-05
   6 0.996998 7.26967e-06
@@ -94,13 +100,13 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Memory usage per processor = 14.8928 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
 ---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
 TotEng   =     -5237.4580 KinEng   =      1134.9186 Temp     =       282.1005 
 PotEng   =     -6372.3766 E_bond   =        16.5572 E_angle  =        36.3726 
 E_dihed  =        15.5190 E_impro  =         1.9426 E_vdwl   =       692.8945 
 E_coul   =     26772.2646 E_long   =    -33907.9271 Press    =      -837.0112 
----------------- Step       50 ----- CPU =      0.2741 (sec) ----------------
+---------------- Step       50 ----- CPU =      0.2858 (sec) ----------------
 TotEng   =     -5247.5537 KinEng   =      1132.4000 Temp     =       281.4745 
 PotEng   =     -6379.9537 E_bond   =        12.2118 E_angle  =        31.7365 
 E_dihed  =        18.8145 E_impro  =         2.3611 E_vdwl   =       658.1785 
@@ -114,65 +120,65 @@ SHAKE stats (type/ave/delta) on step 100
   14 0.96 0
   18 0.957201 5.3796e-06
   31 104.52 0.000502278
----------------- Step      100 ----- CPU =      0.5371 (sec) ----------------
+---------------- Step      100 ----- CPU =      0.5744 (sec) ----------------
 TotEng   =     -5257.9979 KinEng   =      1078.0553 Temp     =       267.9663 
 PotEng   =     -6336.0532 E_bond   =        14.4829 E_angle  =        43.4429 
 E_dihed  =        15.2569 E_impro  =         2.3160 E_vdwl   =       708.3273 
-E_coul   =     26786.6829 E_long   =    -33906.5621 Press    =      -648.6819 
----------------- Step      150 ----- CPU =      0.8054 (sec) ----------------
-TotEng   =     -5287.2799 KinEng   =      1098.6028 Temp     =       273.0737 
-PotEng   =     -6385.8827 E_bond   =        17.4925 E_angle  =        32.8594 
+E_coul   =     26786.6829 E_long   =    -33906.5621 Press    =      -648.6820 
+---------------- Step      150 ----- CPU =      0.8756 (sec) ----------------
+TotEng   =     -5287.2798 KinEng   =      1098.6028 Temp     =       273.0737 
+PotEng   =     -6385.8826 E_bond   =        17.4925 E_angle  =        32.8594 
 E_dihed  =        15.1624 E_impro  =         1.6522 E_vdwl   =       736.9675 
-E_coul   =     26717.2655 E_long   =    -33907.2821 Press    =      -333.1830 
+E_coul   =     26717.2656 E_long   =    -33907.2821 Press    =      -333.1828 
 SHAKE stats (type/ave/delta) on step 200
   4 1.111 2.18699e-07
   6 0.997 1.50563e-07
-  8 1.08 6.57501e-08
-  10 1.111 5.54188e-07
-  12 1.08 1.98841e-07
+  8 1.08 6.575e-08
+  10 1.111 5.54187e-07
+  12 1.08 1.9884e-07
   14 0.96 0
   18 0.957201 3.59627e-06
-  31 104.52 0.000388336
----------------- Step      200 ----- CPU =      1.0652 (sec) ----------------
-TotEng   =     -5308.4465 KinEng   =      1100.4875 Temp     =       273.5422 
-PotEng   =     -6408.9340 E_bond   =        18.2714 E_angle  =        33.3040 
+  31 104.52 0.000388335
+---------------- Step      200 ----- CPU =      1.1602 (sec) ----------------
+TotEng   =     -5308.4467 KinEng   =      1100.4874 Temp     =       273.5421 
+PotEng   =     -6408.9341 E_bond   =        18.2714 E_angle  =        33.3040 
 E_dihed  =        16.8150 E_impro  =         2.6051 E_vdwl   =       686.3221 
-E_coul   =     26736.1321 E_long   =    -33902.3837 Press    =     -1470.3400 
----------------- Step      250 ----- CPU =      1.3409 (sec) ----------------
-TotEng   =     -5294.1570 KinEng   =      1071.0939 Temp     =       266.2360 
-PotEng   =     -6365.2509 E_bond   =        14.2013 E_angle  =        39.1996 
-E_dihed  =        19.4585 E_impro  =         3.1407 E_vdwl   =       753.4591 
-E_coul   =     26714.0037 E_long   =    -33908.7139 Press    =      -189.6059 
+E_coul   =     26736.1320 E_long   =    -33902.3837 Press    =     -1470.3400 
+---------------- Step      250 ----- CPU =      1.4629 (sec) ----------------
+TotEng   =     -5294.1567 KinEng   =      1071.0938 Temp     =       266.2359 
+PotEng   =     -6365.2505 E_bond   =        14.2013 E_angle  =        39.1996 
+E_dihed  =        19.4585 E_impro  =         3.1407 E_vdwl   =       753.4589 
+E_coul   =     26714.0043 E_long   =    -33908.7139 Press    =      -189.6068 
 SHAKE stats (type/ave/delta) on step 300
   4 1.111 3.79043e-06
-  6 0.997001 3.60519e-06
-  8 1.08 2.09368e-06
-  10 1.111 5.64839e-06
-  12 1.08 2.10676e-06
+  6 0.997001 3.6052e-06
+  8 1.08 2.09369e-06
+  10 1.111 5.6484e-06
+  12 1.08 2.10677e-06
   14 0.96 0
-  18 0.957202 7.72573e-06
-  31 104.52 0.000806208
----------------- Step      300 ----- CPU =      1.6199 (sec) ----------------
-TotEng   =     -5251.3639 KinEng   =      1123.7721 Temp     =       279.3299 
-PotEng   =     -6375.1360 E_bond   =        14.2206 E_angle  =        38.4274 
-E_dihed  =        18.1674 E_impro  =         2.3734 E_vdwl   =       715.3470 
-E_coul   =     26745.4071 E_long   =    -33909.0790 Press    =      -471.5569 
-Loop time of 1.61992 on 4 procs for 300 steps with 2004 atoms
+  18 0.957202 7.72579e-06
+  31 104.52 0.000806203
+---------------- Step      300 ----- CPU =      1.7662 (sec) ----------------
+TotEng   =     -5251.3662 KinEng   =      1123.7712 Temp     =       279.3297 
+PotEng   =     -6375.1374 E_bond   =        14.2206 E_angle  =        38.4274 
+E_dihed  =        18.1674 E_impro  =         2.3734 E_vdwl   =       715.3474 
+E_coul   =     26745.4053 E_long   =    -33909.0790 Press    =      -471.5904 
+Loop time of 1.76629 on 4 procs for 300 steps with 2004 atoms
 
-Performance: 32.002 ns/day, 0.750 hours/ns, 185.194 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 29.350 ns/day, 0.818 hours/ns, 169.847 timesteps/s
+98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.1484     | 1.17       | 1.1865     |   1.5 | 72.23
-Bond    | 0.0011752  | 0.003831   | 0.0069602  |   4.0 |  0.24
-Kspace  | 0.16316    | 0.1798     | 0.20413    |   3.9 | 11.10
-Neigh   | 0.16885    | 0.16895    | 0.16902    |   0.0 | 10.43
-Comm    | 0.046479   | 0.047215   | 0.047759   |   0.2 |  2.91
-Output  | 0.00024033 | 0.00025702 | 0.00030375 |   0.2 |  0.02
-Modify  | 0.04556    | 0.045949   | 0.046353   |   0.2 |  2.84
-Other   |            | 0.003923   |            |       |  0.24
+Pair    | 1.2044     | 1.2351     | 1.2721     |   2.3 | 69.92
+Bond    | 0.0013924  | 0.0034139  | 0.0057151  |   3.2 |  0.19
+Kspace  | 0.17476    | 0.21195    | 0.2407     |   5.3 | 12.00
+Neigh   | 0.21273    | 0.21286    | 0.21293    |   0.0 | 12.05
+Comm    | 0.042942   | 0.046074   | 0.047584   |   0.9 |  2.61
+Output  | 0.00025845 | 0.00033492 | 0.00055695 |   0.0 |  0.02
+Modify  | 0.049944   | 0.051619   | 0.054278   |   0.8 |  2.92
+Other   |            | 0.004988   |            |       |  0.28
 
 Nlocal:    501 ave 508 max 490 min
 Histogram: 1 0 0 0 0 0 1 1 0 1
diff --git a/examples/peri/log.6Jul17.peri.eps.g++.1 b/examples/peri/log.27Nov18.peri.eps.g++.1
similarity index 65%
rename from examples/peri/log.6Jul17.peri.eps.g++.1
rename to examples/peri/log.27Nov18.peri.eps.g++.1
index 6aa4314d53..379f3f75c9 100644
--- a/examples/peri/log.6Jul17.peri.eps.g++.1
+++ b/examples/peri/log.27Nov18.peri.eps.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.00100374 secs
 
 pair_style      peri/eps
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 10.0e8
@@ -72,44 +73,44 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 50.29 | 50.29 | 50.29 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 8.3466308e+24    247103.03            0    849681.45 8.0295601e+11 5.0030006e-07 
-     200 1.1784921e+27    1098605.6            0     86178912 1.0246967e+14 5.5353162e-07 
-     300 2.6263212e+27    4118581.6            0 1.9372377e+08 1.662415e+14 7.6036043e-07 
-     400 3.3085888e+27    9397203.3            0 2.4825816e+08 1.561692e+14 1.0196674e-06 
-     500 3.9151799e+27     18408722            0 3.0106204e+08 1.5298661e+14 1.2317127e-06 
-     600 6.2936721e+27     11346143            0 4.6571282e+08 1.9645007e+14 1.5419242e-06 
-     700 1.2721597e+28    3830223.2            0 9.2225588e+08 3.0235577e+14 2.0250441e-06 
-     800 1.3190107e+28    2831668.7            0 9.5508099e+08 2.4853932e+14 2.5542553e-06 
-     900 1.3166045e+28    1911868.6            0 9.524241e+08 1.9729649e+14 3.2117896e-06 
-    1000 1.3159578e+28    1995827.6            0 9.5204114e+08 1.6722163e+14 3.7875695e-06 
-Loop time of 72.5574 on 1 procs for 1000 steps with 3487 atoms
+     100 9.7403734e+24    248692.93            0    951891.49 9.3703576e+11 5.0030006e-07 
+     200 1.220493e+27    1011231.9            0     89123756 1.0636834e+14 5.5224782e-07 
+     300 2.7274231e+27    4549425.2            0 2.0145358e+08 1.7250255e+14 7.6097098e-07 
+     400 3.3665092e+27     13347641            0 2.5639011e+08 1.5828139e+14 1.0236725e-06 
+     500 3.8995641e+27     14196430            0 2.9572238e+08 1.5145191e+14 1.2392314e-06 
+     600 4.6668832e+27     23135807            0 3.6005775e+08 1.478168e+14 1.5195473e-06 
+     700 1.1847301e+28      8126622            0 8.6343315e+08 2.9204301e+14 1.9524671e-06 
+     800 1.2328889e+28    4646514.3            0 8.9472087e+08 2.2467312e+14 2.6410944e-06 
+     900 1.2277283e+28    2668877.7            0 8.8901759e+08 1.671177e+14 3.5358262e-06 
+    1000 1.2260912e+28    1587002.9            0 8.8675386e+08  1.29707e+14 4.5495712e-06 
+Loop time of 34.8143 on 1 procs for 1000 steps with 3487 atoms
 
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+96.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 71.779     | 71.779     | 71.779     |   0.0 | 98.93
-Neigh   | 0.5596     | 0.5596     | 0.5596     |   0.0 |  0.77
-Comm    | 0.0040631  | 0.0040631  | 0.0040631  |   0.0 |  0.01
-Output  | 0.00056624 | 0.00056624 | 0.00056624 |   0.0 |  0.00
-Modify  | 0.18403    | 0.18403    | 0.18403    |   0.0 |  0.25
-Other   |            | 0.03016    |            |       |  0.04
+Pair    | 34.045     | 34.045     | 34.045     |   0.0 | 97.79
+Neigh   | 0.63254    | 0.63254    | 0.63254    |   0.0 |  1.82
+Comm    | 0.0025852  | 0.0025852  | 0.0025852  |   0.0 |  0.01
+Output  | 0.00035906 | 0.00035906 | 0.00035906 |   0.0 |  0.00
+Modify  | 0.11784    | 0.11784    | 0.11784    |   0.0 |  0.34
+Other   |            | 0.01593    |            |       |  0.05
 
 Nlocal:    3487 ave 3487 max 3487 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    0 ave 0 max 0 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    569177 ave 569177 max 569177 min
+Neighs:    546591 ave 546591 max 546591 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 FullNghs:  1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 1209076
 Ave neighs/atom = 346.738
-Neighbor list builds = 40
+Neighbor list builds = 45
 Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:01:12
+Total wall time: 0:00:34
diff --git a/examples/peri/log.6Jul17.peri.eps.g++.4 b/examples/peri/log.27Nov18.peri.eps.g++.4
similarity index 62%
rename from examples/peri/log.6Jul17.peri.eps.g++.4
rename to examples/peri/log.27Nov18.peri.eps.g++.4
index 1423ec4637..bccd5cd25a 100644
--- a/examples/peri/log.6Jul17.peri.eps.g++.4
+++ b/examples/peri/log.27Nov18.peri.eps.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   2 by 1 by 2 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000587225 secs
 
 pair_style      peri/eps
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 10.0e8
@@ -72,44 +73,44 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 44.77 | 45.04 | 45.14 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 8.3466308e+24    247103.03            0    849681.45 8.0295601e+11 5.0030006e-07 
-     200 1.1784921e+27    1098605.6            0     86178912 1.0246967e+14 5.5353162e-07 
-     300 2.6263212e+27    4118581.6            0 1.9372377e+08 1.662415e+14 7.6036043e-07 
-     400 3.3085888e+27    9397203.3            0 2.4825816e+08 1.561692e+14 1.0196674e-06 
-     500 3.9151799e+27     18408722            0 3.0106204e+08 1.5298661e+14 1.2317127e-06 
-     600 6.2936721e+27     11346143            0 4.6571282e+08 1.9645007e+14 1.5419242e-06 
-     700 1.2721597e+28    3830223.2            0 9.2225588e+08 3.0235577e+14 2.0250441e-06 
-     800 1.3190107e+28    2831668.7            0 9.5508099e+08 2.4853932e+14 2.5542553e-06 
-     900 1.3166045e+28    1911869.3            0 9.524241e+08 1.9729649e+14 3.2117896e-06 
-    1000 1.3159578e+28    1995833.9            0 9.5204114e+08 1.6722163e+14 3.7875695e-06 
-Loop time of 29.6266 on 4 procs for 1000 steps with 3487 atoms
+     100 2.3613868e+26    2297417.8            0     19345263 2.2716828e+13 5.0030006e-07 
+     200 3.9573281e+27     28896934            0 3.1459311e+08 3.6928392e+14 5.1576607e-07 
+     300 8.7809254e+27     38915502            0 6.7284747e+08 6.4053658e+14 6.5979263e-07 
+     400 1.3210949e+28     35344681            0 9.8909868e+08 7.0953264e+14 8.9613355e-07 
+     500 1.7324732e+28     21092574            0 1.2718379e+09 7.4083646e+14 1.1255254e-06 
+     600 2.1194595e+28     11349855            0 1.5414769e+09 6.6250164e+14 1.5397467e-06 
+     700 2.316318e+28    2515600.8            0 1.6747631e+09 5.0111859e+14 2.2246862e-06 
+     800 2.363319e+28    1731461.2            0 1.7079109e+09 4.0277805e+14 2.8240193e-06 
+     900 2.3668922e+28    870525.69            0 1.7096296e+09 3.1718257e+14 3.5915363e-06 
+    1000 2.3654433e+28    789707.52            0 1.7085028e+09 2.5538989e+14 4.4577935e-06 
+Loop time of 5.11902 on 4 procs for 1000 steps with 3487 atoms
 
-98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+90.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 25.905     | 26.18      | 26.326     |   3.2 | 88.37
-Neigh   | 0.15352    | 0.1872     | 0.22394    |   7.6 |  0.63
-Comm    | 3.0374     | 3.1471     | 3.3731     |   7.5 | 10.62
-Output  | 0.00047588 | 0.00062978 | 0.00097752 |   0.0 |  0.00
-Modify  | 0.073521   | 0.081854   | 0.093222   |   2.7 |  0.28
-Other   |            | 0.02989    |            |       |  0.10
+Pair    | 3.1161     | 3.9019     | 4.7582     |  30.3 | 76.22
+Neigh   | 0.0701     | 0.080061   | 0.089326   |   3.0 |  1.56
+Comm    | 0.22296    | 1.0644     | 1.8357     |  57.0 | 20.79
+Output  | 0.00028729 | 0.00058514 | 0.0013847  |   0.0 |  0.01
+Modify  | 0.041605   | 0.043229   | 0.044626   |   0.6 |  0.84
+Other   |            | 0.02887    |            |       |  0.56
 
-Nlocal:    871.75 ave 908 max 838 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Nghost:    1368.25 ave 1402 max 1332 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Neighs:    142294 ave 159233 max 124729 min
+Nlocal:    871.75 ave 947 max 799 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    1011 ave 1087 max 936 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    91271.8 ave 92650 max 90045 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
 FullNghs:  302269 ave 346070 max 260820 min
 Histogram: 1 0 0 0 2 0 0 0 0 1
 
 Total # of neighbors = 1209076
 Ave neighs/atom = 346.738
-Neighbor list builds = 40
+Neighbor list builds = 24
 Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:29
+Total wall time: 0:00:05
diff --git a/examples/peri/log.6Jul17.peri.lps.g++.1 b/examples/peri/log.27Nov18.peri.lps.g++.1
similarity index 66%
rename from examples/peri/log.6Jul17.peri.lps.g++.1
rename to examples/peri/log.27Nov18.peri.lps.g++.1
index 4b2ac532d1..0b9f4b4e0b 100644
--- a/examples/peri/log.6Jul17.peri.lps.g++.1
+++ b/examples/peri/log.27Nov18.peri.lps.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.00101972 secs
 
 pair_style      peri/lps
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25
@@ -72,35 +73,35 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 34.91 | 34.91 | 34.91 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 1.684629e+24    133446.65            0    255067.11 1.6206343e+11 5.0030006e-07 
-     200 1.1380148e+27    684478.05            0     82842557 9.9178307e+13 5.5225839e-07 
-     300 2.5659218e+27    5944645.9            0 1.9118934e+08 1.6231114e+14 7.6086254e-07 
-     400 2.9916164e+27     13677434            0 2.2965481e+08 1.4081705e+14 1.0224963e-06 
-     500 3.3570343e+27     11130894            0 2.5348933e+08 1.2577633e+14 1.2846002e-06 
-     600 3.9506165e+27    6986672.5            0 2.9219831e+08 1.2659956e+14 1.5019096e-06 
-     700 7.8366157e+27     11716082            0 5.7747436e+08 1.9480124e+14 1.9361899e-06 
-     800 8.2483231e+27    4671647.2            0 6.0015282e+08 1.7040064e+14 2.3297298e-06 
-     900 8.2720965e+27    1249680.9            0 5.9844715e+08 1.4117116e+14 2.8202052e-06 
-    1000 8.2441462e+27    2278265.6            0 5.9745788e+08 1.234652e+14 3.213751e-06 
-Loop time of 62.3833 on 1 procs for 1000 steps with 3487 atoms
+     100 2.0851116e+24    132640.06            0    283173.04 2.0059034e+11 5.0030006e-07 
+     200 1.1421456e+27    733330.77            0     83189631 9.9580342e+13 5.5202528e-07 
+     300 2.5694547e+27    6192900.7            0 1.9169265e+08 1.6253438e+14 7.6086363e-07 
+     400 3.0375813e+27      7013786            0 2.2630957e+08 1.4286927e+14 1.0232935e-06 
+     500 3.4006176e+27    5347550.9            0 2.5085245e+08 1.2727968e+14 1.2859078e-06 
+     600 3.7690314e+27    8040942.9            0 2.8014319e+08 1.2082801e+14 1.5013199e-06 
+     700 7.6688193e+27      8282231            0 5.6192658e+08 1.9074258e+14 1.935049e-06 
+     800 8.2147783e+27    3439316.5            0 5.9649874e+08 1.6954721e+14 2.3319342e-06 
+     900 8.1767735e+27      1827759            0 5.9214346e+08  1.38875e+14 2.8337987e-06 
+    1000 8.1478191e+27      1415059            0 5.8964042e+08 1.2086486e+14 3.2445347e-06 
+Loop time of 27.5943 on 1 procs for 1000 steps with 3487 atoms
 
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 61.608     | 61.608     | 61.608     |   0.0 | 98.76
-Neigh   | 0.57177    | 0.57177    | 0.57177    |   0.0 |  0.92
-Comm    | 0.0030825  | 0.0030825  | 0.0030825  |   0.0 |  0.00
-Output  | 0.00051951 | 0.00051951 | 0.00051951 |   0.0 |  0.00
-Modify  | 0.17278    | 0.17278    | 0.17278    |   0.0 |  0.28
-Other   |            | 0.02745    |            |       |  0.04
+Pair    | 26.946     | 26.946     | 26.946     |   0.0 | 97.65
+Neigh   | 0.52412    | 0.52412    | 0.52412    |   0.0 |  1.90
+Comm    | 0.001683   | 0.001683   | 0.001683   |   0.0 |  0.01
+Output  | 0.00032282 | 0.00032282 | 0.00032282 |   0.0 |  0.00
+Modify  | 0.10716    | 0.10716    | 0.10716    |   0.0 |  0.39
+Other   |            | 0.01544    |            |       |  0.06
 
 Nlocal:    3487 ave 3487 max 3487 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    0 ave 0 max 0 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    576568 ave 576568 max 576568 min
+Neighs:    578212 ave 578212 max 578212 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 FullNghs:  1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -112,4 +113,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:01:02
+Total wall time: 0:00:27
diff --git a/examples/peri/log.6Jul17.peri.lps.g++.4 b/examples/peri/log.27Nov18.peri.lps.g++.4
similarity index 61%
rename from examples/peri/log.6Jul17.peri.lps.g++.4
rename to examples/peri/log.27Nov18.peri.lps.g++.4
index 04244f0123..4f8b53f246 100644
--- a/examples/peri/log.6Jul17.peri.lps.g++.4
+++ b/examples/peri/log.27Nov18.peri.lps.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   2 by 1 by 2 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000591278 secs
 
 pair_style      peri/lps
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25
@@ -72,44 +73,44 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 29.4 | 29.66 | 29.76 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 1.684629e+24    133446.65            0    255067.11 1.6206343e+11 5.0030006e-07 
-     200 1.1380148e+27    684478.05            0     82842557 9.9178307e+13 5.5225839e-07 
-     300 2.5659218e+27    5944645.9            0 1.9118934e+08 1.6231114e+14 7.6086254e-07 
-     400 2.9916164e+27     13677434            0 2.2965481e+08 1.4081705e+14 1.0224963e-06 
-     500 3.3570343e+27     11130894            0 2.5348933e+08 1.2577633e+14 1.2846002e-06 
-     600 3.9506165e+27    6986672.5            0 2.9219831e+08 1.2659956e+14 1.5019096e-06 
-     700 7.8366157e+27     11716082            0 5.7747436e+08 1.9480124e+14 1.9361899e-06 
-     800 8.2483231e+27    4671647.2            0 6.0015282e+08 1.7040064e+14 2.3297298e-06 
-     900 8.2720965e+27    1249680.9            0 5.9844715e+08 1.4117116e+14 2.8202052e-06 
-    1000 8.2441489e+27    2277476.2            0 5.9745729e+08 1.2346524e+14 3.213751e-06 
-Loop time of 23.2656 on 4 procs for 1000 steps with 3487 atoms
+     100 2.1708413e+26    2019616.1            0     17691833 2.0883757e+13 5.0030006e-07 
+     200 2.6858201e+27     23091889            0 2.1699255e+08 2.5837916e+14 5.0030006e-07 
+     300 7.7773248e+27     36337377            0 5.9781519e+08 5.5903929e+14 6.6957466e-07 
+     400 1.2392524e+28     26946130            0 9.2161463e+08 5.8015586e+14 1.0280783e-06 
+     500 1.6748989e+28     24398485            0 1.2335785e+09 5.5317919e+14 1.4572494e-06 
+     600 2.1137718e+28     12455731            0 1.5384766e+09 5.144781e+14 1.9774354e-06 
+     700 2.2843381e+28    3012521.8            0 1.6521724e+09 4.1591669e+14 2.6434138e-06 
+     800  2.30994e+28      1986584            0 1.6696295e+09 3.1911076e+14 3.4839376e-06 
+     900 2.3325118e+28     935517.5            0 1.684874e+09 2.5083968e+14 4.4754707e-06 
+    1000 2.3453028e+28    646658.88            0 1.6938195e+09 1.9996924e+14 5.6447777e-06 
+Loop time of 3.68562 on 4 procs for 1000 steps with 3487 atoms
 
-99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 20.801     | 21.119     | 21.525     |   6.3 | 90.78
-Neigh   | 0.13851    | 0.18557    | 0.22747    |   8.5 |  0.80
-Comm    | 1.5175     | 1.8689     | 2.1386     |  18.0 |  8.03
-Output  | 0.00049806 | 0.00059026 | 0.00071931 |   0.0 |  0.00
-Modify  | 0.063441   | 0.066235   | 0.069135   |   0.9 |  0.28
-Other   |            | 0.02496    |            |       |  0.11
+Pair    | 2.3895     | 2.9098     | 3.4454     |  22.8 | 78.95
+Neigh   | 0.089031   | 0.10631    | 0.12931    |   5.1 |  2.88
+Comm    | 0.084373   | 0.61215    | 1.1154     |  48.5 | 16.61
+Output  | 0.00026274 | 0.00058717 | 0.0014296  |   0.0 |  0.02
+Modify  | 0.030758   | 0.032229   | 0.034897   |   0.9 |  0.87
+Other   |            | 0.02456    |            |       |  0.67
 
-Nlocal:    871.75 ave 939 max 805 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Nghost:    1343.25 ave 1410 max 1276 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Neighs:    144142 ave 176488 max 113797 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
+Nlocal:    871.75 ave 955 max 804 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    1052.5 ave 1144 max 960 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    94652.8 ave 98974 max 91771 min
+Histogram: 1 1 0 0 1 0 0 0 0 1
 FullNghs:  302269 ave 346070 max 260820 min
 Histogram: 1 0 0 0 2 0 0 0 0 1
 
 Total # of neighbors = 1209076
 Ave neighs/atom = 346.738
-Neighbor list builds = 37
+Neighbor list builds = 31
 Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:23
+Total wall time: 0:00:03
diff --git a/examples/peri/log.6Jul17.peri.pmb.g++.1 b/examples/peri/log.27Nov18.peri.pmb.g++.1
similarity index 80%
rename from examples/peri/log.6Jul17.peri.pmb.g++.1
rename to examples/peri/log.27Nov18.peri.pmb.g++.1
index 84a439674b..d00ff7e97c 100644
--- a/examples/peri/log.6Jul17.peri.pmb.g++.1
+++ b/examples/peri/log.27Nov18.peri.pmb.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000993729 secs
 
 pair_style      peri/pmb
 pair_coeff      * * 1.6863e22 0.0015001 0.0005 0.25
@@ -79,28 +80,28 @@ Step Temp E_pair E_mol TotEng Press Volume
      500 4.2580877e+27     20212686            0 3.2762196e+08 1.6249923e+14 1.2611723e-06 
      600 5.5126512e+27     30861342            0 4.2884284e+08 1.7320038e+14 1.531873e-06 
      700 1.1807414e+28     23119941            0 8.7554687e+08 2.9477434e+14 1.9278632e-06 
-     800 1.2424839e+28    2407365.1            0 8.994088e+08 2.3787786e+14 2.5138992e-06 
-     900 1.2358397e+28    4532424.3            0 8.9673716e+08 1.9097316e+14 3.1145903e-06 
-    1000 1.2341048e+28    3219355.8            0 8.9417154e+08 1.5968585e+14 3.7196039e-06 
-Loop time of 28.565 on 1 procs for 1000 steps with 3487 atoms
+     800 1.2424839e+28    2407361.6            0 8.994088e+08 2.3787786e+14 2.5138992e-06 
+     900 1.2358395e+28    4532520.6            0 8.9673706e+08 1.9097312e+14 3.1145903e-06 
+    1000 1.2341057e+28    3219939.5            0 8.9417279e+08 1.5968597e+14 3.7196039e-06 
+Loop time of 15.3451 on 1 procs for 1000 steps with 3487 atoms
 
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 27.721     | 27.721     | 27.721     |   0.0 | 97.04
-Neigh   | 0.66353    | 0.66353    | 0.66353    |   0.0 |  2.32
-Comm    | 0.0027969  | 0.0027969  | 0.0027969  |   0.0 |  0.01
-Output  | 0.00042295 | 0.00042295 | 0.00042295 |   0.0 |  0.00
-Modify  | 0.1566     | 0.1566     | 0.1566     |   0.0 |  0.55
-Other   |            | 0.02086    |            |       |  0.07
+Pair    | 14.575     | 14.575     | 14.575     |   0.0 | 94.98
+Neigh   | 0.65203    | 0.65203    | 0.65203    |   0.0 |  4.25
+Comm    | 0.0019367  | 0.0019367  | 0.0019367  |   0.0 |  0.01
+Output  | 0.00032711 | 0.00032711 | 0.00032711 |   0.0 |  0.00
+Modify  | 0.10225    | 0.10225    | 0.10225    |   0.0 |  0.67
+Other   |            | 0.01342    |            |       |  0.09
 
 Nlocal:    3487 ave 3487 max 3487 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    0 ave 0 max 0 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    567132 ave 567132 max 567132 min
+Neighs:    567140 ave 567140 max 567140 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 FullNghs:  1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -112,4 +113,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:28
+Total wall time: 0:00:15
diff --git a/examples/peri/log.6Jul17.peri.pmb.g++.4 b/examples/peri/log.27Nov18.peri.pmb.g++.4
similarity index 77%
rename from examples/peri/log.6Jul17.peri.pmb.g++.4
rename to examples/peri/log.27Nov18.peri.pmb.g++.4
index 637b2cc26a..da5b6e0e97 100644
--- a/examples/peri/log.6Jul17.peri.pmb.g++.4
+++ b/examples/peri/log.27Nov18.peri.pmb.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   2 by 1 by 2 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000591755 secs
 
 pair_style      peri/pmb
 pair_coeff      * * 1.6863e22 0.0015001 0.0005 0.25
@@ -79,29 +80,29 @@ Step Temp E_pair E_mol TotEng Press Volume
      500 4.2580877e+27     20212686            0 3.2762196e+08 1.6249923e+14 1.2611723e-06 
      600 5.5126512e+27     30861342            0 4.2884284e+08 1.7320038e+14 1.531873e-06 
      700 1.1807414e+28     23119941            0 8.7554687e+08 2.9477434e+14 1.9278632e-06 
-     800 1.2424839e+28    2407365.2            0 8.994088e+08 2.3787786e+14 2.5138992e-06 
-     900 1.2358397e+28      4532423            0 8.9673716e+08 1.9097316e+14 3.1145903e-06 
-    1000 1.2341048e+28    3219408.7            0 8.9417158e+08 1.5968585e+14 3.7196039e-06 
-Loop time of 9.59889 on 4 procs for 1000 steps with 3487 atoms
+     800 1.2424839e+28    2407361.5            0 8.994088e+08 2.3787786e+14 2.5138992e-06 
+     900 1.2358395e+28    4532520.1            0 8.9673706e+08 1.9097312e+14 3.1145903e-06 
+    1000 1.2341057e+28    3219974.3            0 8.9417286e+08 1.5968598e+14 3.7196039e-06 
+Loop time of 4.86638 on 4 procs for 1000 steps with 3487 atoms
 
-99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 7.9131     | 8.1341     | 8.3286     |   6.7 | 84.74
-Neigh   | 0.19736    | 0.22539    | 0.25643    |   5.6 |  2.35
-Comm    | 0.92843    | 1.1536     | 1.402      |  18.4 | 12.02
-Output  | 0.00053358 | 0.00059688 | 0.00070548 |   0.0 |  0.01
-Modify  | 0.060774   | 0.06358    | 0.068375   |   1.2 |  0.66
-Other   |            | 0.02165    |            |       |  0.23
+Pair    | 3.524      | 3.9207     | 4.4499     |  17.8 | 80.57
+Neigh   | 0.12891    | 0.16928    | 0.21015    |   9.0 |  3.48
+Comm    | 0.1204     | 0.70321    | 1.1349     |  46.1 | 14.45
+Output  | 0.00028253 | 0.00053787 | 0.0012429  |   0.0 |  0.01
+Modify  | 0.03231    | 0.033227   | 0.034578   |   0.5 |  0.68
+Other   |            | 0.03944    |            |       |  0.81
 
-Nlocal:    871.75 ave 920 max 829 min
-Histogram: 1 0 0 0 2 0 0 0 0 1
-Nghost:    1343.25 ave 1386 max 1295 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    141783 ave 157099 max 127518 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
+Nlocal:    871.75 ave 920 max 824 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    1343.25 ave 1391 max 1295 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Neighs:    141785 ave 170754 max 115891 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
 FullNghs:  302269 ave 346070 max 260820 min
 Histogram: 1 0 0 0 2 0 0 0 0 1
 
@@ -112,4 +113,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:09
+Total wall time: 0:00:04
diff --git a/examples/peri/log.6Jul17.peri.ves.g++.1 b/examples/peri/log.27Nov18.peri.ves.g++.1
similarity index 65%
rename from examples/peri/log.6Jul17.peri.ves.g++.1
rename to examples/peri/log.27Nov18.peri.ves.g++.1
index 3d1d156d4a..8f39af5bbb 100644
--- a/examples/peri/log.6Jul17.peri.ves.g++.1
+++ b/examples/peri/log.27Nov18.peri.ves.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000948906 secs
 
 pair_style      peri/ves
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001
@@ -72,44 +73,44 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 65.41 | 65.41 | 65.41 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 8.3392177e+24    247040.57            0     849083.8 8.0224286e+11 5.0030006e-07 
-     200 1.1849022e+27    1158030.5            0     86701105 1.0301578e+14 5.5359205e-07 
-     300 2.6287222e+27    4389155.1            0 1.9416767e+08 1.6636212e+14 7.6050375e-07 
-     400 3.2718778e+27      7458219            0 2.4366885e+08 1.5439709e+14 1.0199269e-06 
-     500 3.8413187e+27    6151611.4            0 2.8347258e+08 1.5008974e+14 1.2318007e-06 
-     600 6.1409926e+27     18424316            0 4.6176842e+08 1.9507512e+14 1.5151227e-06 
-     700 1.0046131e+28     11478344            0 7.3675086e+08 2.4228512e+14 1.9956447e-06 
-     800 1.0402132e+28    4421233.6            0 7.5539495e+08 2.0512303e+14 2.4407262e-06 
-     900 1.0419515e+28    7223261.3            0 7.594519e+08 1.6647307e+14 3.0124137e-06 
-    1000 1.0503737e+28    2621490.6            0 7.6093049e+08 1.4315634e+14 3.5313793e-06 
-Loop time of 77.2175 on 1 procs for 1000 steps with 3487 atoms
+     100 9.7323839e+24    248625.39            0    951247.15 9.3626715e+11 5.0030006e-07 
+     200 1.2061753e+27    1013477.4            0     88092352 1.0509747e+14 5.5236899e-07 
+     300 2.7144154e+27    3853028.1            0 1.998181e+08 1.7162586e+14 7.6121038e-07 
+     400  3.40253e+27     12536380            0 2.5817934e+08 1.5995767e+14 1.0237832e-06 
+     500 3.9896399e+27    9604773.5            0 2.9763367e+08 1.5530851e+14 1.2363731e-06 
+     600 5.1484768e+27     20065080            0 3.9175529e+08 1.6320898e+14 1.5182588e-06 
+     700 1.1341683e+28    8156461.7            0 8.269603e+08 2.765964e+14 1.9735225e-06 
+     800 1.1679489e+28    4475262.6            0 8.4766672e+08 2.1589017e+14 2.6037667e-06 
+     900 1.1714785e+28      2839888            0 8.4857954e+08 1.7092697e+14 3.2986395e-06 
+    1000 1.1716494e+28    1690965.6            0 8.4755402e+08 1.3801485e+14 4.0858554e-06 
+Loop time of 27.0077 on 1 procs for 1000 steps with 3487 atoms
 
-99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 76.421     | 76.421     | 76.421     |   0.0 | 98.97
-Neigh   | 0.56616    | 0.56616    | 0.56616    |   0.0 |  0.73
-Comm    | 0.0038247  | 0.0038247  | 0.0038247  |   0.0 |  0.00
-Output  | 0.00051951 | 0.00051951 | 0.00051951 |   0.0 |  0.00
-Modify  | 0.19434    | 0.19434    | 0.19434    |   0.0 |  0.25
-Other   |            | 0.03197    |            |       |  0.04
+Pair    | 26.294     | 26.294     | 26.294     |   0.0 | 97.36
+Neigh   | 0.5863     | 0.5863     | 0.5863     |   0.0 |  2.17
+Comm    | 0.0051315  | 0.0051315  | 0.0051315  |   0.0 |  0.02
+Output  | 0.00033832 | 0.00033832 | 0.00033832 |   0.0 |  0.00
+Modify  | 0.10736    | 0.10736    | 0.10736    |   0.0 |  0.40
+Other   |            | 0.01489    |            |       |  0.06
 
 Nlocal:    3487 ave 3487 max 3487 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    0 ave 0 max 0 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    561942 ave 561942 max 561942 min
+Neighs:    539960 ave 539960 max 539960 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 FullNghs:  1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 1209076
 Ave neighs/atom = 346.738
-Neighbor list builds = 37
+Neighbor list builds = 42
 Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:01:17
+Total wall time: 0:00:27
diff --git a/examples/peri/log.6Jul17.peri.ves.g++.4 b/examples/peri/log.27Nov18.peri.ves.g++.4
similarity index 61%
rename from examples/peri/log.6Jul17.peri.ves.g++.4
rename to examples/peri/log.27Nov18.peri.ves.g++.4
index bd05d58e9f..c71d41da9c 100644
--- a/examples/peri/log.6Jul17.peri.ves.g++.4
+++ b/examples/peri/log.27Nov18.peri.ves.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (6 Jul 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # small Peridynamic cylinder hit by projectile
 
@@ -18,6 +18,7 @@ Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
   2 by 1 by 2 MPI processor grid
 create_atoms    1 region target
 Created 3487 atoms
+  Time spent = 0.000587225 secs
 
 pair_style      peri/ves
 pair_coeff      * * 14.9e9 14.9e9 0.0015001 0.0005 0.25 0.5 0.001
@@ -72,44 +73,44 @@ Peridynamic bonds:
 Per MPI rank memory allocation (min/avg/max) = 59.9 | 60.16 | 60.26 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0            0            0            0            0            0 5.0030006e-07 
-     100 8.3392177e+24    247040.57            0     849083.8 8.0224286e+11 5.0030006e-07 
-     200 1.1849022e+27    1158030.5            0     86701105 1.0301578e+14 5.5359205e-07 
-     300 2.6287222e+27    4389155.1            0 1.9416767e+08 1.6636212e+14 7.6050375e-07 
-     400 3.2718778e+27      7458219            0 2.4366885e+08 1.5439709e+14 1.0199269e-06 
-     500 3.8413187e+27    6151611.4            0 2.8347258e+08 1.5008974e+14 1.2318007e-06 
-     600 6.1409926e+27     18424316            0 4.6176842e+08 1.9507512e+14 1.5151227e-06 
-     700 1.0046131e+28     11478344            0 7.3675086e+08 2.4228512e+14 1.9956447e-06 
-     800 1.0402132e+28    4421233.6            0 7.5539495e+08 2.0512303e+14 2.4407262e-06 
-     900 1.0419515e+28    7223258.7            0 7.594519e+08 1.6647307e+14 3.0124137e-06 
-    1000 1.0503738e+28    2621480.4            0 7.6093057e+08 1.4315636e+14 3.5313793e-06 
-Loop time of 25.9768 on 4 procs for 1000 steps with 3487 atoms
+     100 2.3611484e+26    2297126.2            0     19343251 2.2714535e+13 5.0030006e-07 
+     200 3.9696282e+27     27477818            0 3.1406199e+08 3.7046187e+14 5.1572409e-07 
+     300 8.8025822e+27     32485477            0 6.6798094e+08 7.1158578e+14 5.9537958e-07 
+     400 1.3288413e+28     37587857            0 9.9693436e+08 7.7688957e+14 8.2323713e-07 
+     500 1.777552e+28     24842920            0 1.3081325e+09 7.3838229e+14 1.1586497e-06 
+     600 2.1408855e+28     11023553            0 1.5566189e+09 6.4536834e+14 1.5966028e-06 
+     700 2.2659932e+28      3494159            0  1.63941e+09 4.9466351e+14 2.2047524e-06 
+     800 2.285628e+28    2220143.6            0 1.6523112e+09 3.8214902e+14 2.8786171e-06 
+     900 2.2903476e+28    904133.04            0 1.6544025e+09 2.790555e+14 3.9502258e-06 
+    1000  2.29097e+28    617974.86            0 1.6545656e+09 2.2599918e+14 4.8789193e-06 
+Loop time of 3.73704 on 4 procs for 1000 steps with 3487 atoms
 
-99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 22.455     | 23.348     | 24.175     |  14.1 | 89.88
-Neigh   | 0.14472    | 0.18294    | 0.2299     |   8.6 |  0.70
-Comm    | 1.4715     | 2.3485     | 3.2075     |  44.8 |  9.04
-Output  | 0.000489   | 0.00059682 | 0.0007987  |   0.0 |  0.00
-Modify  | 0.063634   | 0.071411   | 0.076907   |   1.9 |  0.27
-Other   |            | 0.02506    |            |       |  0.10
+Pair    | 2.3248     | 2.876      | 3.5364     |  25.9 | 76.96
+Neigh   | 0.072288   | 0.081806   | 0.091866   |   3.1 |  2.19
+Comm    | 0.078943   | 0.72589    | 1.2634     |  50.3 | 19.42
+Output  | 0.00028825 | 0.00057435 | 0.001307   |   0.0 |  0.02
+Modify  | 0.031366   | 0.032767   | 0.035145   |   0.8 |  0.88
+Other   |            | 0.02002    |            |       |  0.54
 
-Nlocal:    871.75 ave 896 max 852 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    1293.25 ave 1313 max 1269 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    140486 ave 167239 max 121255 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
+Nlocal:    871.75 ave 978 max 770 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    1004.75 ave 1107 max 906 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Neighs:    90070.2 ave 94639 max 83936 min
+Histogram: 1 0 0 0 0 1 0 1 0 1
 FullNghs:  302269 ave 346070 max 260820 min
 Histogram: 1 0 0 0 2 0 0 0 0 1
 
 Total # of neighbors = 1209076
 Ave neighs/atom = 346.738
-Neighbor list builds = 37
+Neighbor list builds = 25
 Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:26
+Total wall time: 0:00:03
diff --git a/examples/pour/log.5Oct16.pour.2d.g++.1 b/examples/pour/log.27Nov18.pour.2d.g++.1
similarity index 78%
rename from examples/pour/log.5Oct16.pour.2d.g++.1
rename to examples/pour/log.27Nov18.pour.2d.g++.1
index f80a61a55f..d8b615816f 100644
--- a/examples/pour/log.5Oct16.pour.2d.g++.1
+++ b/examples/pour/log.27Nov18.pour.2d.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour 2d granular particles into container
 
 dimension	2
@@ -40,7 +41,7 @@ compute		1 all erotate/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo		1000
 thermo_modify	lost ignore norm no
-compute_modify	thermo_temp dynamic yes
+compute_modify	thermo_temp dynamic/dof yes
 
 #dump		id all atom 250 dump.pour
 
@@ -52,13 +53,18 @@ compute_modify	thermo_temp dynamic yes
 
 run		25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 1.2
-  binsize = 0.6 -> bins = 167 84 2
-Memory usage per processor = 2.75186 Mbytes
+  binsize = 0.6, bins = 167 84 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/2d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.804 | 5.804 | 5.804 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         5000 
     1000      224    201.77464            0         5000 
@@ -86,20 +92,20 @@ Step Atoms KinEng c_1 Volume
    23000     1000    16.115382    7.9435503         5000 
    24000     1000    11.971003    5.9411126         5000 
    25000     1000    10.404117    4.3811155         5000 
-Loop time of 3.00132 on 1 procs for 25000 steps with 1000 atoms
+Loop time of 2.72875 on 1 procs for 25000 steps with 1000 atoms
 
-Performance: 719682.852 tau/day, 8329.663 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 791570.958 tau/day, 9161.701 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.2554     | 1.2554     | 1.2554     |   0.0 | 41.83
-Neigh   | 0.4288     | 0.4288     | 0.4288     |   0.0 | 14.29
-Comm    | 0.0078034  | 0.0078034  | 0.0078034  |   0.0 |  0.26
-Output  | 0.0003016  | 0.0003016  | 0.0003016  |   0.0 |  0.01
-Modify  | 1.177      | 1.177      | 1.177      |   0.0 | 39.21
-Other   |            | 0.132      |            |       |  4.40
+Pair    | 0.95597    | 0.95597    | 0.95597    |   0.0 | 35.03
+Neigh   | 0.38475    | 0.38475    | 0.38475    |   0.0 | 14.10
+Comm    | 0.010862   | 0.010862   | 0.010862   |   0.0 |  0.40
+Output  | 0.00054383 | 0.00054383 | 0.00054383 |   0.0 |  0.02
+Modify  | 1.2364     | 1.2364     | 1.2364     |   0.0 | 45.31
+Other   |            | 0.1402     |            |       |  5.14
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -112,4 +118,4 @@ Total # of neighbors = 2374
 Ave neighs/atom = 2.374
 Neighbor list builds = 2089
 Dangerous builds = 0
-Total wall time: 0:00:03
+Total wall time: 0:00:02
diff --git a/examples/pour/log.5Oct16.pour.2d.g++.4 b/examples/pour/log.27Nov18.pour.2d.g++.4
similarity index 78%
rename from examples/pour/log.5Oct16.pour.2d.g++.4
rename to examples/pour/log.27Nov18.pour.2d.g++.4
index ee88b94284..a491cf4866 100644
--- a/examples/pour/log.5Oct16.pour.2d.g++.4
+++ b/examples/pour/log.27Nov18.pour.2d.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour 2d granular particles into container
 
 dimension	2
@@ -40,7 +41,7 @@ compute		1 all erotate/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo		1000
 thermo_modify	lost ignore norm no
-compute_modify	thermo_temp dynamic yes
+compute_modify	thermo_temp dynamic/dof yes
 
 #dump		id all atom 250 dump.pour
 
@@ -52,13 +53,18 @@ compute_modify	thermo_temp dynamic yes
 
 run		25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 1.2
-  binsize = 0.6 -> bins = 167 84 2
-Memory usage per processor = 2.7174 Mbytes
+  binsize = 0.6, bins = 167 84 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/2d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.77 | 5.77 | 5.77 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         5000 
     1000      224    201.77464            0         5000 
@@ -86,20 +92,20 @@ Step Atoms KinEng c_1 Volume
    23000     1000     11.97674    5.2548063         5000 
    24000     1000    7.8974699    3.7396899         5000 
    25000     1000    6.1288038    2.2056805         5000 
-Loop time of 0.974647 on 4 procs for 25000 steps with 1000 atoms
+Loop time of 0.901039 on 4 procs for 25000 steps with 1000 atoms
 
-Performance: 2216187.157 tau/day, 25650.314 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2397232.992 tau/day, 27745.752 timesteps/s
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.29556    | 0.31544    | 0.33654    |   3.0 | 32.36
-Neigh   | 0.10012    | 0.10782    | 0.11355    |   1.7 | 11.06
-Comm    | 0.081835   | 0.087606   | 0.098412   |   2.2 |  8.99
-Output  | 0.00039244 | 0.00043273 | 0.0004766  |   0.2 |  0.04
-Modify  | 0.28155    | 0.29814    | 0.31262    |   2.2 | 30.59
-Other   |            | 0.1652     |            |       | 16.95
+Pair    | 0.21557    | 0.22754    | 0.23651    |   1.9 | 25.25
+Neigh   | 0.098304   | 0.10178    | 0.10595    |   1.0 | 11.30
+Comm    | 0.051792   | 0.066485   | 0.079589   |   3.8 |  7.38
+Output  | 0.00052619 | 0.00061941 | 0.00082016 |   0.0 |  0.07
+Modify  | 0.31782    | 0.32767    | 0.33815    |   1.5 | 36.37
+Other   |            | 0.1769     |            |       | 19.64
 
 Nlocal:    250 ave 267 max 232 min
 Histogram: 1 0 0 0 1 1 0 0 0 1
diff --git a/examples/pour/log.5Oct16.pour.2d.molecule.g++.1 b/examples/pour/log.27Nov18.pour.2d.molecule.g++.1
similarity index 78%
rename from examples/pour/log.5Oct16.pour.2d.molecule.g++.1
rename to examples/pour/log.27Nov18.pour.2d.molecule.g++.1
index c4533f3f0c..5eff1843e7 100644
--- a/examples/pour/log.5Oct16.pour.2d.molecule.g++.1
+++ b/examples/pour/log.27Nov18.pour.2d.molecule.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour 2d granular particles into container
 
 dimension	2
@@ -34,11 +35,11 @@ fix		ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 		yplane 0 NU
 
 molecule        object molecule.vshape
 Read molecule object:
-  5 atoms with 1 types
-  0 bonds with 0 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  5 atoms with max type 1
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 fix             3 all rigid/small molecule mol object
 0 rigid bodies with 0 atoms
   2.23607 = max distance from body owner to body atom
@@ -55,7 +56,7 @@ compute		1 all erotate/sphere
 compute         Tsphere all temp/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo_modify	lost ignore norm no temp Tsphere
-compute_modify	Tsphere dynamic yes
+compute_modify	Tsphere dynamic/dof yes
 
 thermo		1000
 
@@ -73,13 +74,18 @@ thermo		1000
 
 run	        25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 2.5
-  binsize = 0.6 -> bins = 167 84 2
-Memory usage per processor = 2.75807 Mbytes
+  binsize = 0.6, bins = 167 84 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/2d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.81 | 5.81 | 5.81 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         5000 
     1000      130    259.24123 2.3772821e-30         5000 
@@ -106,21 +112,21 @@ Step Atoms KinEng c_1 Volume
    22000     1040    1262.0253    1.6097601         5000 
    23000     1040       1042.7    3.1078701         5000 
    24000     1040    1167.4717    1.4954047         5000 
-   25000     1170    1214.9087    2.4525541         5000 
-Loop time of 3.19438 on 1 procs for 25000 steps with 1170 atoms
+   25000     1170    1214.9087    2.4525535         5000 
+Loop time of 3.36515 on 1 procs for 25000 steps with 1170 atoms
 
-Performance: 676187.595 tau/day, 7826.245 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 641872.369 tau/day, 7429.078 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.87733    | 0.87733    | 0.87733    |   0.0 | 27.46
-Neigh   | 0.25913    | 0.25913    | 0.25913    |   0.0 |  8.11
-Comm    | 0.0095103  | 0.0095103  | 0.0095103  |   0.0 |  0.30
-Output  | 0.00043368 | 0.00043368 | 0.00043368 |   0.0 |  0.01
-Modify  | 1.941      | 1.941      | 1.941      |   0.0 | 60.76
-Other   |            | 0.107      |            |       |  3.35
+Pair    | 0.73922    | 0.73922    | 0.73922    |   0.0 | 21.97
+Neigh   | 0.22808    | 0.22808    | 0.22808    |   0.0 |  6.78
+Comm    | 0.013331   | 0.013331   | 0.013331   |   0.0 |  0.40
+Output  | 0.00082207 | 0.00082207 | 0.00082207 |   0.0 |  0.02
+Modify  | 2.2694     | 2.2694     | 2.2694     |   0.0 | 67.44
+Other   |            | 0.1143     |            |       |  3.40
 
 Nlocal:    1170 ave 1170 max 1170 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/pour/log.5Oct16.pour.2d.molecule.g++.4 b/examples/pour/log.27Nov18.pour.2d.molecule.g++.4
similarity index 78%
rename from examples/pour/log.5Oct16.pour.2d.molecule.g++.4
rename to examples/pour/log.27Nov18.pour.2d.molecule.g++.4
index 604fd71673..2fae548aab 100644
--- a/examples/pour/log.5Oct16.pour.2d.molecule.g++.4
+++ b/examples/pour/log.27Nov18.pour.2d.molecule.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour 2d granular particles into container
 
 dimension	2
@@ -34,11 +35,11 @@ fix		ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 		yplane 0 NU
 
 molecule        object molecule.vshape
 Read molecule object:
-  5 atoms with 1 types
-  0 bonds with 0 types
-  0 angles with 0 types
-  0 dihedrals with 0 types
-  0 impropers with 0 types
+  5 atoms with max type 1
+  0 bonds with max type 0
+  0 angles with max type 0
+  0 dihedrals with max type 0
+  0 impropers with max type 0
 fix             3 all rigid/small molecule mol object
 0 rigid bodies with 0 atoms
   2.23607 = max distance from body owner to body atom
@@ -55,7 +56,7 @@ compute		1 all erotate/sphere
 compute         Tsphere all temp/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo_modify	lost ignore norm no temp Tsphere
-compute_modify	Tsphere dynamic yes
+compute_modify	Tsphere dynamic/dof yes
 
 thermo		1000
 
@@ -73,13 +74,18 @@ thermo		1000
 
 run	        25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 2.5
-  binsize = 0.6 -> bins = 167 84 2
-Memory usage per processor = 2.72041 Mbytes
+  binsize = 0.6, bins = 167 84 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hertz/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/2d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.773 | 5.773 | 5.773 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         5000 
     1000      130    259.24123 2.3773387e-30         5000 
@@ -106,21 +112,21 @@ Step Atoms KinEng c_1 Volume
    22000     1040    1226.7461    1.2299974         5000 
    23000     1040    1106.7165    3.1057108         5000 
    24000     1040    1161.9203    2.0994962         5000 
-   25000     1170    1187.5093     2.959617         5000 
-Loop time of 1.20622 on 4 procs for 25000 steps with 1170 atoms
+   25000     1170    1187.5093    2.9596172         5000 
+Loop time of 1.4211 on 4 procs for 25000 steps with 1170 atoms
 
-Performance: 1790713.641 tau/day, 20725.852 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1519946.444 tau/day, 17591.973 timesteps/s
+94.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.22275    | 0.23039    | 0.23778    |   1.1 | 19.10
-Neigh   | 0.064599   | 0.067646   | 0.069656   |   0.7 |  5.61
-Comm    | 0.079895   | 0.092342   | 0.10857    |   3.5 |  7.66
-Output  | 0.00061584 | 0.00065601 | 0.00075412 |   0.2 |  0.05
-Modify  | 0.69333    | 0.69728    | 0.70102    |   0.3 | 57.81
-Other   |            | 0.1179     |            |       |  9.78
+Pair    | 0.19053    | 0.21869    | 0.23582    |   3.7 | 15.39
+Neigh   | 0.06394    | 0.066575   | 0.070017   |   0.9 |  4.68
+Comm    | 0.055579   | 0.070079   | 0.080658   |   3.4 |  4.93
+Output  | 0.0012593  | 0.0031545  | 0.0088205  |   5.8 |  0.22
+Modify  | 0.89034    | 0.9006     | 0.91315    |   0.9 | 63.37
+Other   |            | 0.162      |            |       | 11.40
 
 Nlocal:    292.5 ave 296 max 285 min
 Histogram: 1 0 0 0 0 0 0 0 1 2
diff --git a/examples/pour/log.5Oct16.pour.g++.1 b/examples/pour/log.27Nov18.pour.g++.1
similarity index 77%
rename from examples/pour/log.5Oct16.pour.g++.1
rename to examples/pour/log.27Nov18.pour.g++.1
index 23e2acd6dd..a1ebc335cd 100644
--- a/examples/pour/log.5Oct16.pour.g++.1
+++ b/examples/pour/log.27Nov18.pour.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour granular particles into chute container, then induce flow
 
 atom_style	sphere
@@ -36,7 +37,7 @@ compute		1 all erotate/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo		1000
 thermo_modify	lost ignore norm no
-compute_modify	thermo_temp dynamic yes
+compute_modify	thermo_temp dynamic/dof yes
 
 #dump		id all atom 1000 dump.pour
 
@@ -48,13 +49,18 @@ compute_modify	thermo_temp dynamic yes
 
 run		25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 1.2
-  binsize = 0.6 -> bins = 34 34 28
-Memory usage per processor = 2.90017 Mbytes
+  binsize = 0.6, bins = 34 34 28
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.955 | 5.955 | 5.955 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         6600 
     1000      402    768.04606            0         6600 
@@ -82,20 +88,20 @@ Step Atoms KinEng c_1 Volume
    23000     3000    446.47658    39.719019         6600 
    24000     3000    331.57201    24.034747         6600 
    25000     3000    239.90493    18.457205         6600 
-Loop time of 9.8391 on 1 procs for 25000 steps with 3000 atoms
+Loop time of 8.66761 on 1 procs for 25000 steps with 3000 atoms
 
-Performance: 219532.250 tau/day, 2540.883 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 249203.592 tau/day, 2884.301 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.5009     | 5.5009     | 5.5009     |   0.0 | 55.91
-Neigh   | 1.57       | 1.57       | 1.57       |   0.0 | 15.96
-Comm    | 0.20079    | 0.20079    | 0.20079    |   0.0 |  2.04
-Output  | 0.00048852 | 0.00048852 | 0.00048852 |   0.0 |  0.00
-Modify  | 2.2916     | 2.2916     | 2.2916     |   0.0 | 23.29
-Other   |            | 0.2752     |            |       |  2.80
+Pair    | 4.5311     | 4.5311     | 4.5311     |   0.0 | 52.28
+Neigh   | 1.4556     | 1.4556     | 1.4556     |   0.0 | 16.79
+Comm    | 0.2322     | 0.2322     | 0.2322     |   0.0 |  2.68
+Output  | 0.00084257 | 0.00084257 | 0.00084257 |   0.0 |  0.01
+Modify  | 2.1642     | 2.1642     | 2.1642     |   0.0 | 24.97
+Other   |            | 0.2837     |            |       |  3.27
 
 Nlocal:    3000 ave 3000 max 3000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -112,7 +118,7 @@ Dangerous builds = 0
 unfix		ins
 fix		2 all gravity 1.0 chute 26.0
 run		25000
-Memory usage per processor = 7.31316 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 13.24 | 13.24 | 13.24 Mbytes
 Step Atoms KinEng c_1 Volume 
    25000     3000    239.90493    18.457205         6600 
    26000     3000    86.453151    19.990229         6600 
@@ -140,20 +146,20 @@ Step Atoms KinEng c_1 Volume
    48000     3000    16184.643    202.00907         6600 
    49000     3000    17573.204    215.30429         6600 
    50000     3000    19117.749    232.28939         6600 
-Loop time of 18.9367 on 1 procs for 25000 steps with 3000 atoms
+Loop time of 16.4345 on 1 procs for 25000 steps with 3000 atoms
 
-Performance: 114064.182 tau/day, 1320.187 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 131430.508 tau/day, 1521.186 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 12.058     | 12.058     | 12.058     |   0.0 | 63.68
-Neigh   | 2.3177     | 2.3177     | 2.3177     |   0.0 | 12.24
-Comm    | 0.4221     | 0.4221     | 0.4221     |   0.0 |  2.23
-Output  | 0.00076723 | 0.00076723 | 0.00076723 |   0.0 |  0.00
-Modify  | 3.6817     | 3.6817     | 3.6817     |   0.0 | 19.44
-Other   |            | 0.4563     |            |       |  2.41
+Pair    | 9.893      | 9.893      | 9.893      |   0.0 | 60.20
+Neigh   | 2.1448     | 2.1448     | 2.1448     |   0.0 | 13.05
+Comm    | 0.47991    | 0.47991    | 0.47991    |   0.0 |  2.92
+Output  | 0.0011523  | 0.0011523  | 0.0011523  |   0.0 |  0.01
+Modify  | 3.4635     | 3.4635     | 3.4635     |   0.0 | 21.07
+Other   |            | 0.4522     |            |       |  2.75
 
 Nlocal:    3000 ave 3000 max 3000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -166,4 +172,4 @@ Total # of neighbors = 13997
 Ave neighs/atom = 4.66567
 Neighbor list builds = 836
 Dangerous builds = 0
-Total wall time: 0:00:28
+Total wall time: 0:00:25
diff --git a/examples/pour/log.5Oct16.pour.g++.4 b/examples/pour/log.27Nov18.pour.g++.4
similarity index 77%
rename from examples/pour/log.5Oct16.pour.g++.4
rename to examples/pour/log.27Nov18.pour.g++.4
index 28e463121a..004bf92608 100644
--- a/examples/pour/log.5Oct16.pour.g++.4
+++ b/examples/pour/log.27Nov18.pour.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Pour granular particles into chute container, then induce flow
 
 atom_style	sphere
@@ -36,7 +37,7 @@ compute		1 all erotate/sphere
 thermo_style	custom step atoms ke c_1 vol
 thermo		1000
 thermo_modify	lost ignore norm no
-compute_modify	thermo_temp dynamic yes
+compute_modify	thermo_temp dynamic/dof yes
 
 #dump		id all atom 1000 dump.pour
 
@@ -48,13 +49,18 @@ compute_modify	thermo_temp dynamic yes
 
 run		25000
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 1.2
   ghost atom cutoff = 1.2
-  binsize = 0.6 -> bins = 34 34 28
-Memory usage per processor = 2.7753 Mbytes
+  binsize = 0.6, bins = 34 34 28
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair gran/hooke/history, perpetual
+      attributes: half, newton off, size, history
+      pair build: half/size/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.83 | 5.83 | 5.83 Mbytes
 Step Atoms KinEng c_1 Volume 
        0        0           -0            0         6600 
     1000      402    768.04606            0         6600 
@@ -82,20 +88,20 @@ Step Atoms KinEng c_1 Volume
    23000     3000    456.26221    36.394458         6600 
    24000     3000    334.38331    26.256087         6600 
    25000     3000     233.7217    18.768345         6600 
-Loop time of 3.00537 on 4 procs for 25000 steps with 3000 atoms
+Loop time of 2.79912 on 4 procs for 25000 steps with 3000 atoms
 
-Performance: 718714.211 tau/day, 8318.452 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 771671.423 tau/day, 8931.382 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.328      | 1.3659     | 1.4112     |   2.9 | 45.45
-Neigh   | 0.39528    | 0.40948    | 0.42265    |   1.6 | 13.62
-Comm    | 0.36134    | 0.36901    | 0.37668    |   0.9 | 12.28
-Output  | 0.00052094 | 0.00060934 | 0.0006752  |   0.2 |  0.02
-Modify  | 0.5892     | 0.60403    | 0.61671    |   1.3 | 20.10
-Other   |            | 0.2564     |            |       |  8.53
+Pair    | 1.0916     | 1.1431     | 1.1982     |   4.0 | 40.84
+Neigh   | 0.37439    | 0.39186    | 0.41149    |   2.6 | 14.00
+Comm    | 0.32241    | 0.32795    | 0.33831    |   1.1 | 11.72
+Output  | 0.00068283 | 0.0029467  | 0.0094671  |   6.9 |  0.11
+Modify  | 0.5813     | 0.5952     | 0.60947    |   1.5 | 21.26
+Other   |            | 0.3381     |            |       | 12.08
 
 Nlocal:    750 ave 765 max 730 min
 Histogram: 1 0 0 0 1 0 0 0 1 1
@@ -112,7 +118,7 @@ Dangerous builds = 0
 unfix		ins
 fix		2 all gravity 1.0 chute 26.0
 run		25000
-Memory usage per processor = 7.16682 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 12.16 | 12.39 | 13.06 Mbytes
 Step Atoms KinEng c_1 Volume 
    25000     3000     233.7217    18.768345         6600 
    26000     3000     80.58756    21.114703         6600 
@@ -140,20 +146,20 @@ Step Atoms KinEng c_1 Volume
    48000     3000    15555.796    204.40316         6600 
    49000     3000    16694.338    208.98934         6600 
    50000     3000    17936.665    192.19442         6600 
-Loop time of 5.5877 on 4 procs for 25000 steps with 3000 atoms
+Loop time of 5.65089 on 4 procs for 25000 steps with 3000 atoms
 
-Performance: 386563.121 tau/day, 4474.110 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 382240.368 tau/day, 4424.078 timesteps/s
+94.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.9862     | 3.0411     | 3.0685     |   1.9 | 54.42
-Neigh   | 0.58638    | 0.60065    | 0.61313    |   1.2 | 10.75
-Comm    | 0.49186    | 0.50314    | 0.51344    |   1.2 |  9.00
-Output  | 0.00076151 | 0.0010245  | 0.0012021  |   0.5 |  0.02
-Modify  | 0.93086    | 0.95139    | 0.96527    |   1.3 | 17.03
-Other   |            | 0.4904     |            |       |  8.78
+Pair    | 2.5656     | 2.5853     | 2.6068     |   0.9 | 45.75
+Neigh   | 0.57736    | 0.59939    | 0.61824    |   1.9 | 10.61
+Comm    | 0.58146    | 0.63908    | 0.70461    |   5.5 | 11.31
+Output  | 0.00081015 | 0.002184   | 0.0061922  |   5.0 |  0.04
+Modify  | 0.91975    | 0.93371    | 0.95875    |   1.5 | 16.52
+Other   |            | 0.8912     |            |       | 15.77
 
 Nlocal:    750 ave 758 max 741 min
 Histogram: 1 0 0 0 0 2 0 0 0 1
diff --git a/examples/python/log.27Nov18.fix_python_invoke.g++.1 b/examples/python/log.27Nov18.fix_python_invoke.g++.1
new file mode 100644
index 0000000000..094c667a5d
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_invoke.g++.1
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000678539 secs
+mass		1 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+python         end_of_step_callback here """
+from __future__ import print_function
+from lammps import lammps
+def end_of_step_callback(lmp):
+  L = lammps(ptr=lmp)
+  t = L.extract_global("ntimestep", 0)
+  print("### END OF STEP ###", t)
+def post_force_callback(lmp, v):
+  L = lammps(ptr=lmp)
+  t = L.extract_global("ntimestep", 0)
+  print("### POST_FORCE ###", t)
+"""
+
+fix		1 all nve
+fix     2 all python/invoke 50 end_of_step end_of_step_callback
+fix     3 all python/invoke 50 post_force post_force_callback
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
+     100    1.6458363   -4.7492704            0   -2.2811332    5.8691042 
+     150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
+     200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
+     250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
+Loop time of 0.732007 on 1 procs for 250 steps with 4000 atoms
+
+Performance: 147539.519 tau/day, 341.527 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.60651    | 0.60651    | 0.60651    |   0.0 | 82.86
+Neigh   | 0.092702   | 0.092702   | 0.092702   |   0.0 | 12.66
+Comm    | 0.013686   | 0.013686   | 0.013686   |   0.0 |  1.87
+Output  | 0.00016069 | 0.00016069 | 0.00016069 |   0.0 |  0.02
+Modify  | 0.016055   | 0.016055   | 0.016055   |   0.0 |  2.19
+Other   |            | 0.00289    |            |       |  0.39
+
+Nlocal:    4000 ave 4000 max 4000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5499 ave 5499 max 5499 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    151513 ave 151513 max 151513 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 151513
+Ave neighs/atom = 37.8783
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:00
diff --git a/examples/python/log.27Nov18.fix_python_invoke.g++.4 b/examples/python/log.27Nov18.fix_python_invoke.g++.4
new file mode 100644
index 0000000000..17c48e0f48
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_invoke.g++.4
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 2 by 2 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000408888 secs
+mass		1 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+python         end_of_step_callback here """
+from __future__ import print_function
+from lammps import lammps
+def end_of_step_callback(lmp):
+  L = lammps(ptr=lmp)
+  t = L.extract_global("ntimestep", 0)
+  print("### END OF STEP ###", t)
+def post_force_callback(lmp, v):
+  L = lammps(ptr=lmp)
+  t = L.extract_global("ntimestep", 0)
+  print("### POST_FORCE ###", t)
+"""
+
+fix		1 all nve
+fix     2 all python/invoke 50 end_of_step end_of_step_callback
+fix     3 all python/invoke 50 post_force post_force_callback
+
+#dump		id all atom 50 dump.melt
+
+#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3
+
+#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
+     100    1.6503357    -4.756014            0   -2.2811293    5.8050524 
+     150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
+     200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
+     250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
+Loop time of 0.227907 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 473877.870 tau/day, 1096.940 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.15923    | 0.16507    | 0.17227    |   1.2 | 72.43
+Neigh   | 0.02438    | 0.025177   | 0.025757   |   0.4 | 11.05
+Comm    | 0.022418   | 0.030157   | 0.036685   |   2.9 | 13.23
+Output  | 0.00052595 | 0.00092125 | 0.0011675  |   0.0 |  0.40
+Modify  | 0.0053911  | 0.0057266  | 0.006294   |   0.5 |  2.51
+Other   |            | 0.0008523  |            |       |  0.37
+
+Nlocal:    1000 ave 1010 max 982 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    2703.75 ave 2713 max 2689 min
+Histogram: 1 0 0 0 0 0 0 2 0 1
+Neighs:    37915.5 ave 39239 max 36193 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+
+Total # of neighbors = 151662
+Ave neighs/atom = 37.9155
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:00
diff --git a/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1 b/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1
new file mode 100644
index 0000000000..414ac69747
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1
@@ -0,0 +1,77 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000658989 secs
+mass		* 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+fix		1 all python/move py_nve.NVE
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
+     100    1.6458363   -4.7492704            0   -2.2811332    5.8691042 
+     150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
+     200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
+     250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
+Loop time of 12.0574 on 1 procs for 250 steps with 4000 atoms
+
+Performance: 8957.186 tau/day, 20.734 timesteps/s
+98.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.61686    | 0.61686    | 0.61686    |   0.0 |  5.12
+Neigh   | 0.094026   | 0.094026   | 0.094026   |   0.0 |  0.78
+Comm    | 0.015743   | 0.015743   | 0.015743   |   0.0 |  0.13
+Output  | 0.00021815 | 0.00021815 | 0.00021815 |   0.0 |  0.00
+Modify  | 11.328     | 11.328     | 11.328     |   0.0 | 93.95
+Other   |            | 0.002812   |            |       |  0.02
+
+Nlocal:    4000 ave 4000 max 4000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5499 ave 5499 max 5499 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    151513 ave 151513 max 151513 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 151513
+Ave neighs/atom = 37.8783
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:12
diff --git a/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4 b/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4
new file mode 100644
index 0000000000..8a8f4e4f33
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4
@@ -0,0 +1,77 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 2 by 2 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.00041604 secs
+mass		* 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+fix		1 all python/move py_nve.NVE
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
+     100    1.6503357    -4.756014            0   -2.2811293    5.8050524 
+     150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
+     200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
+     250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
+Loop time of 3.60532 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 29955.711 tau/day, 69.342 timesteps/s
+95.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.15953    | 0.16556    | 0.16945    |   0.9 |  4.59
+Neigh   | 0.024014   | 0.024431   | 0.024704   |   0.2 |  0.68
+Comm    | 0.10837    | 0.26844    | 0.38063    |  19.1 |  7.45
+Output  | 0.00021553 | 0.0063262  | 0.0088348  |   4.5 |  0.18
+Modify  | 3.0299     | 3.138      | 3.3038     |   5.7 | 87.04
+Other   |            | 0.002585   |            |       |  0.07
+
+Nlocal:    1000 ave 1010 max 982 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    2703.75 ave 2713 max 2689 min
+Histogram: 1 0 0 0 0 0 0 2 0 1
+Neighs:    37915.5 ave 39239 max 36193 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+
+Total # of neighbors = 151662
+Ave neighs/atom = 37.9155
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:03
diff --git a/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1 b/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1
new file mode 100644
index 0000000000..e3c9ee4aa2
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1
@@ -0,0 +1,77 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 1 by 1 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000703096 secs
+mass		* 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+fix		1 all python/move py_nve.NVE_Opt
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
+     100    1.6458363   -4.7492704            0   -2.2811332    5.8691042 
+     150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
+     200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
+     250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
+Loop time of 0.806998 on 1 procs for 250 steps with 4000 atoms
+
+Performance: 133829.286 tau/day, 309.790 timesteps/s
+95.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.60639    | 0.60639    | 0.60639    |   0.0 | 75.14
+Neigh   | 0.092807   | 0.092807   | 0.092807   |   0.0 | 11.50
+Comm    | 0.013782   | 0.013782   | 0.013782   |   0.0 |  1.71
+Output  | 0.00021243 | 0.00021243 | 0.00021243 |   0.0 |  0.03
+Modify  | 0.091672   | 0.091672   | 0.091672   |   0.0 | 11.36
+Other   |            | 0.00213    |            |       |  0.26
+
+Nlocal:    4000 ave 4000 max 4000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    5499 ave 5499 max 5499 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    151513 ave 151513 max 151513 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 151513
+Ave neighs/atom = 37.8783
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:00
diff --git a/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4 b/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4
new file mode 100644
index 0000000000..b4fbdcbc44
--- /dev/null
+++ b/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4
@@ -0,0 +1,77 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+
+lattice		fcc 0.8442
+Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
+region		box block 0 10 0 10 0 10
+create_box	1 box
+Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
+  1 by 2 by 2 MPI processor grid
+create_atoms	1 box
+Created 4000 atoms
+  Time spent = 0.000407457 secs
+mass		* 1.0
+
+velocity	all create 3.0 87287
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	every 20 delay 0 check no
+
+fix		1 all python/move py_nve.NVE_Opt
+
+thermo		50
+run		250
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            3   -6.7733681            0   -2.2744931   -3.7033504 
+      50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
+     100    1.6503357    -4.756014            0   -2.2811293    5.8050524 
+     150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
+     200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
+     250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
+Loop time of 0.283796 on 4 procs for 250 steps with 4000 atoms
+
+Performance: 380554.630 tau/day, 880.913 timesteps/s
+93.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.16068    | 0.16297    | 0.167      |   0.6 | 57.42
+Neigh   | 0.024281   | 0.02511    | 0.027018   |   0.7 |  8.85
+Comm    | 0.033199   | 0.035637   | 0.03814    |   1.3 | 12.56
+Output  | 0.00044489 | 0.00057381 | 0.00065589 |   0.0 |  0.20
+Modify  | 0.056902   | 0.058489   | 0.06128    |   0.7 | 20.61
+Other   |            | 0.001018   |            |       |  0.36
+
+Nlocal:    1000 ave 1010 max 982 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    2703.75 ave 2713 max 2689 min
+Histogram: 1 0 0 0 0 0 0 2 0 1
+Neighs:    37915.5 ave 39239 max 36193 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+
+Total # of neighbors = 151662
+Ave neighs/atom = 37.9155
+Neighbor list builds = 12
+Dangerous builds not checked
+Total wall time: 0:00:00
diff --git a/examples/python/log.27Nov18.pair_python_coulomb.g++.1 b/examples/python/log.27Nov18.pair_python_coulomb.g++.1
new file mode 100644
index 0000000000..e1f0aba1bf
--- /dev/null
+++ b/examples/python/log.27Nov18.pair_python_coulomb.g++.1
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units		real
+atom_style	full
+
+read_data	data.spce
+  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  2 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  3000 bonds
+  reading angles ...
+  1500 angles
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+
+pair_style	hybrid/overlay coul/cut 12.0 python 12.0
+
+pair_coeff	* * coul/cut
+pair_coeff	* * python py_pot.LJCutSPCE OW NULL
+
+bond_style	harmonic
+angle_style	harmonic
+dihedral_style	none
+improper_style	none
+
+bond_coeff	1 1000.00 1.000
+angle_coeff	1 100.0 109.47
+
+special_bonds   lj/coul 0.0 0.0 1.0
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  2 = max # of special neighbors
+
+neighbor        2.0 bin
+
+fix		1 all shake 0.0001 20 0 b 1 a 1
+  0 = # of size 2 clusters
+  0 = # of size 3 clusters
+  0 = # of size 4 clusters
+  1500 = # of frozen angles
+fix		2 all nvt temp 300.0 300.0 100.0
+
+# create combined lj/coul table for all atom types
+# generate tabulated potential from python variant
+pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+
+# switch to tabulated potential
+pair_style      table linear 2000 pppm
+pair_coeff      1 1 spce.table OW-OW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+pair_coeff      1 2 spce.table OW-HW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+pair_coeff      2 2 spce.table HW-HW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+
+thermo 10
+run 100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair table, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 25.18 | 25.18 | 25.18 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -18173.499            0   -18173.499   -2019.6011 
+      10    146.87683   -19431.334            0   -18118.336    -4804.774 
+      20    183.13008   -19192.694            0   -17555.612    -5105.075 
+      30    205.91102   -18124.567            0   -16283.836   -4052.5955 
+      40    241.34432   -18154.089            0   -15996.604   -3187.3994 
+      50    265.93905   -19712.779            0   -17335.431   -2716.3264 
+      60    273.67861   -21092.479            0   -18645.943   -2266.2648 
+      70    288.39213   -19794.592            0   -17216.526   -1207.5782 
+      80    300.36209    -20235.73            0   -17550.658   -1345.2669 
+      90     303.8567   -21670.331            0    -18954.02   -2207.0831 
+     100    304.10875   -19847.214            0   -17128.649   -1431.7749 
+Loop time of 5.78394 on 1 procs for 100 steps with 4500 atoms
+
+Performance: 1.494 ns/day, 16.066 hours/ns, 17.289 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.4417     | 5.4417     | 5.4417     |   0.0 | 94.08
+Bond    | 9.5844e-05 | 9.5844e-05 | 9.5844e-05 |   0.0 |  0.00
+Neigh   | 0.26895    | 0.26895    | 0.26895    |   0.0 |  4.65
+Comm    | 0.019179   | 0.019179   | 0.019179   |   0.0 |  0.33
+Output  | 0.00039768 | 0.00039768 | 0.00039768 |   0.0 |  0.01
+Modify  | 0.050508   | 0.050508   | 0.050508   |   0.0 |  0.87
+Other   |            | 0.003098   |            |       |  0.05
+
+Nlocal:    4500 ave 4500 max 4500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    21269 ave 21269 max 21269 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.59772e+06 ave 2.59772e+06 max 2.59772e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2597720
+Ave neighs/atom = 577.271
+Ave special neighs/atom = 2
+Neighbor list builds = 3
+Dangerous builds = 0
+
+shell rm spce.table
+
+Total wall time: 0:00:06
diff --git a/examples/python/log.27Nov18.pair_python_coulomb.g++.4 b/examples/python/log.27Nov18.pair_python_coulomb.g++.4
new file mode 100644
index 0000000000..6558085246
--- /dev/null
+++ b/examples/python/log.27Nov18.pair_python_coulomb.g++.4
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units		real
+atom_style	full
+
+read_data	data.spce
+  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  2 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  3000 bonds
+  reading angles ...
+  1500 angles
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+
+pair_style	hybrid/overlay coul/cut 12.0 python 12.0
+
+pair_coeff	* * coul/cut
+pair_coeff	* * python py_pot.LJCutSPCE OW NULL
+
+bond_style	harmonic
+angle_style	harmonic
+dihedral_style	none
+improper_style	none
+
+bond_coeff	1 1000.00 1.000
+angle_coeff	1 100.0 109.47
+
+special_bonds   lj/coul 0.0 0.0 1.0
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  2 = max # of special neighbors
+
+neighbor        2.0 bin
+
+fix		1 all shake 0.0001 20 0 b 1 a 1
+  0 = # of size 2 clusters
+  0 = # of size 3 clusters
+  0 = # of size 4 clusters
+  1500 = # of frozen angles
+fix		2 all nvt temp 300.0 300.0 100.0
+
+# create combined lj/coul table for all atom types
+# generate tabulated potential from python variant
+pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair coul/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair python, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+
+# switch to tabulated potential
+pair_style      table linear 2000 pppm
+pair_coeff      1 1 spce.table OW-OW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+pair_coeff      1 2 spce.table OW-HW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+pair_coeff      2 2 spce.table HW-HW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
+
+thermo 10
+run 100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair table, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 10.01 | 10.01 | 10.01 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -18173.499            0   -18173.499   -2019.6011 
+      10    146.87683   -19431.334            0   -18118.336    -4804.774 
+      20    183.13008   -19192.694            0   -17555.612    -5105.075 
+      30    205.91102   -18124.567            0   -16283.836   -4052.5955 
+      40    241.34432   -18154.089            0   -15996.604   -3187.3994 
+      50    265.93905   -19712.779            0   -17335.431   -2716.3264 
+      60    273.67861   -21092.479            0   -18645.943   -2266.2648 
+      70    288.39213   -19794.592            0   -17216.526   -1207.5782 
+      80    300.36209    -20235.73            0   -17550.658   -1345.2669 
+      90     303.8567   -21670.331            0    -18954.02   -2207.0831 
+     100    304.10875   -19847.214            0   -17128.649   -1431.7749 
+Loop time of 1.64676 on 4 procs for 100 steps with 4500 atoms
+
+Performance: 5.247 ns/day, 4.574 hours/ns, 60.725 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.4241     | 1.4506     | 1.5134     |   3.0 | 88.09
+Bond    | 9.8705e-05 | 0.00010312 | 0.00010729 |   0.0 |  0.01
+Neigh   | 0.071698   | 0.071712   | 0.07172    |   0.0 |  4.35
+Comm    | 0.027696   | 0.090501   | 0.11691    |  12.1 |  5.50
+Output  | 0.00032783 | 0.00048846 | 0.00096679 |   0.0 |  0.03
+Modify  | 0.030543   | 0.030691   | 0.030788   |   0.1 |  1.86
+Other   |            | 0.002627   |            |       |  0.16
+
+Nlocal:    1125 ave 1163 max 1097 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Nghost:    12265.5 ave 12299 max 12233 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    649430 ave 681781 max 630283 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+
+Total # of neighbors = 2597720
+Ave neighs/atom = 577.271
+Ave special neighs/atom = 2
+Neighbor list builds = 3
+Dangerous builds = 0
+
+shell rm spce.table
+
+Total wall time: 0:00:01
diff --git a/examples/python/log.4May17.pair_python_hybrid.g++.1 b/examples/python/log.27Nov18.pair_python_hybrid.g++.1
similarity index 65%
rename from examples/python/log.4May17.pair_python_hybrid.g++.1
rename to examples/python/log.27Nov18.pair_python_hybrid.g++.1
index 718f794a57..bc56a98bba 100644
--- a/examples/python/log.4May17.pair_python_hybrid.g++.1
+++ b/examples/python/log.27Nov18.pair_python_hybrid.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones hybrid
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.00073123 secs
 mass		* 1.0
 region          half block -0.1 4.9 0 10 0 10
 set region half type 2
@@ -53,7 +54,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.446 | 4.446 | 4.446 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.484 | 4.484 | 4.484 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
@@ -61,20 +62,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
      200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
      250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
-Loop time of 10.0384 on 1 procs for 250 steps with 4000 atoms
+Loop time of 5.56562 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 10758.705 tau/day, 24.904 timesteps/s
-98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 19404.856 tau/day, 44.919 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 9.913      | 9.913      | 9.913      |   0.0 | 98.75
-Neigh   | 0.095569   | 0.095569   | 0.095569   |   0.0 |  0.95
-Comm    | 0.012686   | 0.012686   | 0.012686   |   0.0 |  0.13
-Output  | 0.00027537 | 0.00027537 | 0.00027537 |   0.0 |  0.00
-Modify  | 0.01386    | 0.01386    | 0.01386    |   0.0 |  0.14
-Other   |            | 0.003027   |            |       |  0.03
+Pair    | 5.4305     | 5.4305     | 5.4305     |   0.0 | 97.57
+Neigh   | 0.10441    | 0.10441    | 0.10441    |   0.0 |  1.88
+Comm    | 0.013915   | 0.013915   | 0.013915   |   0.0 |  0.25
+Output  | 0.00019979 | 0.00019979 | 0.00019979 |   0.0 |  0.00
+Modify  | 0.014502   | 0.014502   | 0.014502   |   0.0 |  0.26
+Other   |            | 0.002061   |            |       |  0.04
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -89,14 +90,60 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 write_data      hybrid.data
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair lj/cut, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair python, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 write_restart   hybrid.restart
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair lj/cut, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair python, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 
 clear
   using 1 OpenMP thread(s) per MPI task
 
 read_restart    hybrid.restart
+  restoring atom style atomic from restart
   orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
+  restoring pair style hybrid from restart
   4000 atoms
 
 pair_style	hybrid lj/cut 2.5 python 2.5
@@ -129,7 +176,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.245 | 4.245 | 4.245 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.281 | 4.281 | 4.281 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
      300     1.645592   -4.7496711            0   -2.2819002    5.8734193 
@@ -137,20 +184,20 @@ Step Temp E_pair E_mol TotEng Press
      400    1.6540555   -4.7622999            0    -2.281837    5.8200413 
      450    1.6264734   -4.7200865            0   -2.2809863    5.9546991 
      500    1.6366891   -4.7350979            0   -2.2806781    5.9369284 
-Loop time of 10.0803 on 1 procs for 250 steps with 4000 atoms
+Loop time of 5.56525 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 10713.932 tau/day, 24.801 timesteps/s
-98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 19406.123 tau/day, 44.922 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 9.8479     | 9.8479     | 9.8479     |   0.0 | 97.69
-Neigh   | 0.20002    | 0.20002    | 0.20002    |   0.0 |  1.98
-Comm    | 0.01437    | 0.01437    | 0.01437    |   0.0 |  0.14
-Output  | 0.00024033 | 0.00024033 | 0.00024033 |   0.0 |  0.00
-Modify  | 0.013422   | 0.013422   | 0.013422   |   0.0 |  0.13
-Other   |            | 0.004348   |            |       |  0.04
+Pair    | 5.3122     | 5.3122     | 5.3122     |   0.0 | 95.45
+Neigh   | 0.21918    | 0.21918    | 0.21918    |   0.0 |  3.94
+Comm    | 0.015959   | 0.015959   | 0.015959   |   0.0 |  0.29
+Output  | 0.00018764 | 0.00018764 | 0.00018764 |   0.0 |  0.00
+Modify  | 0.014443   | 0.014443   | 0.014443   |   0.0 |  0.26
+Other   |            | 0.00326    |            |       |  0.06
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -211,7 +258,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.745 | 3.745 | 3.745 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.781 | 3.781 | 3.781 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    1.6275257   -4.7224992            0    -2.281821    5.9567365 
       50    1.6454666   -4.7497515            0   -2.2821686    5.8729175 
@@ -219,20 +266,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6537193   -4.7627023            0   -2.2827434    5.8177704 
      200    1.6258731   -4.7205017            0   -2.2823017     5.952511 
      250    1.6370862   -4.7373176            0   -2.2823022     5.925807 
-Loop time of 9.93686 on 1 procs for 250 steps with 4000 atoms
+Loop time of 5.44427 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 10868.626 tau/day, 25.159 timesteps/s
-98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 19837.379 tau/day, 45.920 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 9.8119     | 9.8119     | 9.8119     |   0.0 | 98.74
-Neigh   | 0.096041   | 0.096041   | 0.096041   |   0.0 |  0.97
-Comm    | 0.01243    | 0.01243    | 0.01243    |   0.0 |  0.13
-Output  | 0.00028133 | 0.00028133 | 0.00028133 |   0.0 |  0.00
-Modify  | 0.013261   | 0.013261   | 0.013261   |   0.0 |  0.13
-Other   |            | 0.002994   |            |       |  0.03
+Pair    | 5.3082     | 5.3082     | 5.3082     |   0.0 | 97.50
+Neigh   | 0.10536    | 0.10536    | 0.10536    |   0.0 |  1.94
+Comm    | 0.01346    | 0.01346    | 0.01346    |   0.0 |  0.25
+Output  | 0.00019431 | 0.00019431 | 0.00019431 |   0.0 |  0.00
+Modify  | 0.015079   | 0.015079   | 0.015079   |   0.0 |  0.28
+Other   |            | 0.002012   |            |       |  0.04
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -247,4 +294,4 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 shell rm hybrid.data hybrid.restart
-Total wall time: 0:00:30
+Total wall time: 0:00:16
diff --git a/examples/python/log.4May17.pair_python_hybrid.g++.4 b/examples/python/log.27Nov18.pair_python_hybrid.g++.4
similarity index 65%
rename from examples/python/log.4May17.pair_python_hybrid.g++.4
rename to examples/python/log.27Nov18.pair_python_hybrid.g++.4
index 32d9fc1740..b959f608ee 100644
--- a/examples/python/log.4May17.pair_python_hybrid.g++.4
+++ b/examples/python/log.27Nov18.pair_python_hybrid.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones hybrid
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000420809 secs
 mass		* 1.0
 region          half block -0.1 4.9 0 10 0 10
 set region half type 2
@@ -53,7 +54,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.953 | 3.953 | 3.953 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.968 | 3.968 | 3.968 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
@@ -61,20 +62,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
      200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
      250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
-Loop time of 2.71748 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.53377 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 39742.745 tau/day, 91.997 timesteps/s
-98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 70414.718 tau/day, 162.997 timesteps/s
+98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.4777     | 2.5639     | 2.6253     |   3.9 | 94.35
-Neigh   | 0.024626   | 0.025331   | 0.02598    |   0.3 |  0.93
-Comm    | 0.061933   | 0.12297    | 0.20987    |  18.0 |  4.53
-Output  | 0.00026131 | 0.00027591 | 0.00031352 |   0.0 |  0.01
-Modify  | 0.0036087  | 0.0036573  | 0.0037553  |   0.1 |  0.13
-Other   |            | 0.001337   |            |       |  0.05
+Pair    | 1.3644     | 1.406      | 1.4448     |   3.2 | 91.67
+Neigh   | 0.027066   | 0.027591   | 0.028437   |   0.3 |  1.80
+Comm    | 0.055296   | 0.095109   | 0.13733    |  12.4 |  6.20
+Output  | 0.00022817 | 0.00030088 | 0.00042033 |   0.0 |  0.02
+Modify  | 0.0037878  | 0.0038549  | 0.0040336  |   0.2 |  0.25
+Other   |            | 0.0008861  |            |       |  0.06
 
 Nlocal:    1000 ave 1010 max 982 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
@@ -89,14 +90,60 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 write_data      hybrid.data
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair lj/cut, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair python, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 write_restart   hybrid.restart
+Neighbor list info ...
+  update every 20 steps, delay 0 steps, check no
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 12
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair lj/cut, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair python, perpetual, skip from (3)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) neighbor class addition, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 
 clear
   using 1 OpenMP thread(s) per MPI task
 
 read_restart    hybrid.restart
+  restoring atom style atomic from restart
   orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
+  restoring pair style hybrid from restart
   4000 atoms
 
 pair_style	hybrid lj/cut 2.5 python 2.5
@@ -129,7 +176,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.612 | 3.612 | 3.612 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.626 | 3.626 | 3.626 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250    1.6323462   -4.7292062            0   -2.2812991    5.9762168 
      300    1.6451788   -4.7488091            0   -2.2816578    5.8375485 
@@ -137,20 +184,20 @@ Step Temp E_pair E_mol TotEng Press
      400    1.6388136   -4.7387093            0   -2.2811035    5.9331084 
      450    1.6431295   -4.7452215            0   -2.2811435    5.8929898 
      500     1.643316   -4.7454222            0   -2.2810644    5.8454817 
-Loop time of 2.75827 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.51785 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 39155.038 tau/day, 90.637 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 71153.411 tau/day, 164.707 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.3631     | 2.5412     | 2.6672     |   7.2 | 92.13
-Neigh   | 0.050358   | 0.052316   | 0.053312   |   0.5 |  1.90
-Comm    | 0.032793   | 0.15893    | 0.33904    |  29.1 |  5.76
-Output  | 0.00018525 | 0.00020212 | 0.00024509 |   0.0 |  0.01
-Modify  | 0.0034482  | 0.0035321  | 0.0036578  |   0.1 |  0.13
-Other   |            | 0.002039   |            |       |  0.07
+Pair    | 1.2893     | 1.3741     | 1.416      |   4.2 | 90.53
+Neigh   | 0.055474   | 0.056676   | 0.057363   |   0.3 |  3.73
+Comm    | 0.039187   | 0.081666   | 0.16742    |  17.6 |  5.38
+Output  | 0.00014877 | 0.0002687  | 0.00061893 |   0.0 |  0.02
+Modify  | 0.003741   | 0.0037862  | 0.0038075  |   0.0 |  0.25
+Other   |            | 0.001315   |            |       |  0.09
 
 Nlocal:    1000 ave 1012 max 983 min
 Histogram: 1 0 0 0 0 0 2 0 0 1
@@ -211,7 +258,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.126 | 3.126 | 3.126 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    1.6323462   -4.7292062            0   -2.2812991    5.9762168 
       50    1.6450626   -4.7488948            0   -2.2819177    5.8370409 
@@ -219,20 +266,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6384234   -4.7389689            0   -2.2819482    5.9315273 
      200    1.6428814   -4.7460743            0   -2.2823683    5.8888228 
      250    1.6432631   -4.7466603            0   -2.2823818    5.8398819 
-Loop time of 2.71936 on 4 procs for 250 steps with 4000 atoms
+Loop time of 1.53622 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 39715.257 tau/day, 91.933 timesteps/s
-98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 70302.534 tau/day, 162.737 timesteps/s
+97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.3769     | 2.5432     | 2.6447     |   6.6 | 93.52
-Neigh   | 0.024088   | 0.025093   | 0.025748   |   0.4 |  0.92
-Comm    | 0.044614   | 0.14598    | 0.31339    |  27.5 |  5.37
-Output  | 0.00026488 | 0.00028872 | 0.00034189 |   0.0 |  0.01
-Modify  | 0.0034099  | 0.0035709  | 0.0036535  |   0.2 |  0.13
-Other   |            | 0.001215   |            |       |  0.04
+Pair    | 1.2893     | 1.3875     | 1.4506     |   5.1 | 90.32
+Neigh   | 0.026512   | 0.02714    | 0.027651   |   0.2 |  1.77
+Comm    | 0.053684   | 0.11665    | 0.21515    |  17.6 |  7.59
+Output  | 0.00017214 | 0.00029582 | 0.0006547  |   0.0 |  0.02
+Modify  | 0.0037682  | 0.0037964  | 0.0038147  |   0.0 |  0.25
+Other   |            | 0.0008581  |            |       |  0.06
 
 Nlocal:    1000 ave 1013 max 989 min
 Histogram: 1 0 0 1 0 1 0 0 0 1
@@ -247,4 +294,4 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 shell rm hybrid.data hybrid.restart
-Total wall time: 0:00:08
+Total wall time: 0:00:04
diff --git a/examples/python/log.4May17.pair_python_long.g++.1 b/examples/python/log.27Nov18.pair_python_long.g++.1
similarity index 63%
rename from examples/python/log.4May17.pair_python_long.g++.1
rename to examples/python/log.27Nov18.pair_python_long.g++.1
index e2d7cf1bde..ad3532b2e8 100644
--- a/examples/python/log.4May17.pair_python_long.g++.1
+++ b/examples/python/log.27Nov18.pair_python_long.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 atom_style	full
@@ -48,8 +48,8 @@ fix		2 all nvt temp 300.0 300.0 100.0
 
 # create only lj/cut table for the oxygen atoms from python
 shell rm -f spce.table
-WARNING: Shell command 'rm' failed with error 'No such file or directory' (../input.cpp:1285)
-WARNING: Shell command 'rm' failed with error 'No such file or directory' (../input.cpp:1285)
+WARNING: Shell command 'rm' failed with error 'No such file or directory' (src/input.cpp:1308)
+WARNING: Shell command 'rm' failed with error 'No such file or directory' (src/input.cpp:1308)
 pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW
 Neighbor list info ...
   update every 1 steps, delay 10 steps, check yes
@@ -69,11 +69,13 @@ pair_style      hybrid/overlay coul/long 12.0 table linear 2000
 kspace_style	pppm 1.0e-6
 pair_coeff      * * coul/long
 pair_coeff      1 1 table spce.table OW-OW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 thermo 10
 run 100
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.279652
   grid = 40 40 40
   stencil order = 5
@@ -98,35 +100,35 @@ Neighbor list info ...
       pair build: skip
       stencil: none
       bin: none
-Per MPI rank memory allocation (min/avg/max) = 36.47 | 36.47 | 36.47 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 36.57 | 36.57 | 36.57 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0            0   -16690.032            0   -16690.032   -1268.9538 
-      10    120.58553   -17767.504            0   -16689.536   -4063.8589 
-      20    136.11736   -17882.557            0   -16665.742   -5124.6758 
-      30    137.00764   -17872.318            0   -16647.545   -5337.2022 
-      40    153.38868   -17999.269            0   -16628.059   -5213.6001 
-      50    167.70342    -18103.06            0   -16603.883   -4460.6632 
-      60    163.07134   -18034.856            0   -16577.088   -3285.0037 
-      70    169.59286   -18064.636            0    -16548.57    -2606.407 
-      80    182.92893   -18153.499            0   -16518.215   -2385.5152 
-      90     191.2793   -18195.356            0   -16485.425   -2235.3701 
-     100    194.68587   -18192.458            0   -16452.073   -1948.3746 
-Loop time of 7.90705 on 1 procs for 100 steps with 4500 atoms
+       0            0   -16690.019            0   -16690.019   -1268.9124 
+      10    120.58553   -17767.489            0   -16689.521   -4063.8136 
+      20    136.11736   -17882.538            0   -16665.724   -5124.6194 
+      30    137.00764   -17872.302            0   -16647.529   -5337.1515 
+      40    153.38867   -17999.256            0   -16628.046   -5213.5616 
+      50    167.70342   -18103.046            0    -16603.87   -4460.6216 
+      60    163.07134   -18034.842            0   -16577.074   -3284.9621 
+      70    169.59286   -18064.622            0   -16548.556   -2606.3642 
+      80    182.92892   -18153.485            0   -16518.202   -2385.4747 
+      90     191.2793   -18195.343            0   -16485.411   -2235.3292 
+     100    194.68587   -18192.446            0   -16452.061   -1948.3379 
+Loop time of 7.00522 on 1 procs for 100 steps with 4500 atoms
 
-Performance: 1.093 ns/day, 21.964 hours/ns, 12.647 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 1.233 ns/day, 19.459 hours/ns, 14.275 timesteps/s
+98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 6.0343     | 6.0343     | 6.0343     |   0.0 | 76.32
-Bond    | 0.00019622 | 0.00019622 | 0.00019622 |   0.0 |  0.00
-Kspace  | 1.5311     | 1.5311     | 1.5311     |   0.0 | 19.36
-Neigh   | 0.246      | 0.246      | 0.246      |   0.0 |  3.11
-Comm    | 0.023937   | 0.023937   | 0.023937   |   0.0 |  0.30
-Output  | 0.00060368 | 0.00060368 | 0.00060368 |   0.0 |  0.01
-Modify  | 0.065543   | 0.065543   | 0.065543   |   0.0 |  0.83
-Other   |            | 0.005364   |            |       |  0.07
+Pair    | 5.5664     | 5.5664     | 5.5664     |   0.0 | 79.46
+Bond    | 0.00011444 | 0.00011444 | 0.00011444 |   0.0 |  0.00
+Kspace  | 1.0814     | 1.0814     | 1.0814     |   0.0 | 15.44
+Neigh   | 0.28011    | 0.28011    | 0.28011    |   0.0 |  4.00
+Comm    | 0.020573   | 0.020573   | 0.020573   |   0.0 |  0.29
+Output  | 0.00045538 | 0.00045538 | 0.00045538 |   0.0 |  0.01
+Modify  | 0.052692   | 0.052692   | 0.052692   |   0.0 |  0.75
+Other   |            | 0.003407   |            |       |  0.05
 
 Nlocal:    4500 ave 4500 max 4500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -135,7 +137,7 @@ Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    2.60177e+06 ave 2.60177e+06 max 2.60177e+06 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 2601769
+Total # of neighbors = 2601768
 Ave neighs/atom = 578.171
 Ave special neighs/atom = 2
 Neighbor list builds = 3
@@ -143,4 +145,4 @@ Dangerous builds = 0
 
 shell rm spce.table
 
-Total wall time: 0:00:08
+Total wall time: 0:00:07
diff --git a/examples/python/log.4May17.pair_python_long.g++.4 b/examples/python/log.27Nov18.pair_python_long.g++.4
similarity index 63%
rename from examples/python/log.4May17.pair_python_long.g++.4
rename to examples/python/log.27Nov18.pair_python_long.g++.4
index 35347da713..50ce2e5f3d 100644
--- a/examples/python/log.4May17.pair_python_long.g++.4
+++ b/examples/python/log.27Nov18.pair_python_long.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 atom_style	full
@@ -48,8 +48,8 @@ fix		2 all nvt temp 300.0 300.0 100.0
 
 # create only lj/cut table for the oxygen atoms from python
 shell rm -f spce.table
-WARNING: Shell command 'rm' failed with error 'No such file or directory' (../input.cpp:1285)
-WARNING: Shell command 'rm' failed with error 'No such file or directory' (../input.cpp:1285)
+WARNING: Shell command 'rm' failed with error 'No such file or directory' (src/input.cpp:1308)
+WARNING: Shell command 'rm' failed with error 'No such file or directory' (src/input.cpp:1308)
 pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW
 Neighbor list info ...
   update every 1 steps, delay 10 steps, check yes
@@ -69,11 +69,13 @@ pair_style      hybrid/overlay coul/long 12.0 table linear 2000
 kspace_style	pppm 1.0e-6
 pair_coeff      * * coul/long
 pair_coeff      1 1 table spce.table OW-OW
+WARNING: 1 of 2000 force values in table are inconsistent with -dE/dr.
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 thermo 10
 run 100
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.279652
   grid = 40 40 40
   stencil order = 5
@@ -98,44 +100,44 @@ Neighbor list info ...
       pair build: skip
       stencil: none
       bin: none
-Per MPI rank memory allocation (min/avg/max) = 13.45 | 13.45 | 13.45 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 13.5 | 13.5 | 13.5 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0            0   -16690.032            0   -16690.032   -1268.9538 
-      10    120.58553   -17767.504            0   -16689.536   -4063.8589 
-      20    136.11736   -17882.557            0   -16665.742   -5124.6758 
-      30    137.00764   -17872.318            0   -16647.545   -5337.2022 
-      40    153.38868   -17999.269            0   -16628.059   -5213.6001 
-      50    167.70342    -18103.06            0   -16603.883   -4460.6632 
-      60    163.07134   -18034.856            0   -16577.088   -3285.0037 
-      70    169.59286   -18064.636            0    -16548.57    -2606.407 
-      80    182.92893   -18153.499            0   -16518.215   -2385.5152 
-      90     191.2793   -18195.356            0   -16485.425   -2235.3701 
-     100    194.68587   -18192.458            0   -16452.073   -1948.3746 
-Loop time of 2.36748 on 4 procs for 100 steps with 4500 atoms
+       0            0   -16690.019            0   -16690.019   -1268.9124 
+      10    120.58553   -17767.489            0   -16689.521   -4063.8136 
+      20    136.11736   -17882.538            0   -16665.724   -5124.6194 
+      30    137.00764   -17872.302            0   -16647.529   -5337.1515 
+      40    153.38867   -17999.256            0   -16628.046   -5213.5616 
+      50    167.70342   -18103.046            0    -16603.87   -4460.6216 
+      60    163.07134   -18034.842            0   -16577.074   -3284.9621 
+      70    169.59286   -18064.622            0   -16548.556   -2606.3642 
+      80    182.92892   -18153.485            0   -16518.202   -2385.4747 
+      90     191.2793   -18195.343            0   -16485.411   -2235.3292 
+     100    194.68587   -18192.446            0   -16452.061   -1948.3379 
+Loop time of 2.26946 on 4 procs for 100 steps with 4500 atoms
 
-Performance: 3.649 ns/day, 6.576 hours/ns, 42.239 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 3.807 ns/day, 6.304 hours/ns, 44.063 timesteps/s
+95.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.5309     | 1.5977     | 1.6926     |   4.7 | 67.49
-Bond    | 9.9182e-05 | 0.00012749 | 0.00016403 |   0.0 |  0.01
-Kspace  | 0.52158    | 0.61232    | 0.67676    |   7.3 | 25.86
-Neigh   | 0.066937   | 0.06702    | 0.067093   |   0.0 |  2.83
-Comm    | 0.035882   | 0.039862   | 0.042244   |   1.2 |  1.68
-Output  | 0.0004003  | 0.00044602 | 0.00057578 |   0.0 |  0.02
-Modify  | 0.046088   | 0.046227   | 0.046315   |   0.0 |  1.95
-Other   |            | 0.003775   |            |       |  0.16
+Pair    | 1.4676     | 1.53       | 1.6054     |   4.5 | 67.42
+Bond    | 9.7752e-05 | 0.00012088 | 0.00013947 |   0.0 |  0.01
+Kspace  | 0.51974    | 0.59375    | 0.65496    |   7.2 | 26.16
+Neigh   | 0.075271   | 0.075279   | 0.075287   |   0.0 |  3.32
+Comm    | 0.028602   | 0.029937   | 0.031052   |   0.5 |  1.32
+Output  | 0.00035477 | 0.00062722 | 0.0014365  |   0.0 |  0.03
+Modify  | 0.03581    | 0.035956   | 0.036059   |   0.1 |  1.58
+Other   |            | 0.003819   |            |       |  0.17
 
 Nlocal:    1125 ave 1154 max 1092 min
 Histogram: 1 0 0 0 1 0 0 1 0 1
 Nghost:    12256.2 ave 12296 max 12213 min
 Histogram: 1 0 1 0 0 0 0 0 1 1
-Neighs:    650442 ave 678831 max 626373 min
+Neighs:    650442 ave 678830 max 626373 min
 Histogram: 1 0 0 0 2 0 0 0 0 1
 
-Total # of neighbors = 2601769
+Total # of neighbors = 2601768
 Ave neighs/atom = 578.171
 Ave special neighs/atom = 2
 Neighbor list builds = 3
diff --git a/examples/python/log.4May17.pair_python_melt.g++.1 b/examples/python/log.27Nov18.pair_python_melt.g++.1
similarity index 73%
rename from examples/python/log.4May17.pair_python_melt.g++.1
rename to examples/python/log.27Nov18.pair_python_melt.g++.1
index d234ce93b5..c656624fb1 100644
--- a/examples/python/log.4May17.pair_python_melt.g++.1
+++ b/examples/python/log.27Nov18.pair_python_melt.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000694513 secs
 mass		* 1.0
 
 velocity	all create 3.0 87287
@@ -39,7 +40,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.184 | 3.184 | 3.184 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6758903   -4.7955425            0   -2.2823355     5.670064 
@@ -47,20 +48,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6324555   -4.7286791            0    -2.280608    5.9589514 
      200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 
      250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
-Loop time of 20.9283 on 1 procs for 250 steps with 4000 atoms
+Loop time of 11.5979 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 5160.475 tau/day, 11.946 timesteps/s
-98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 9312.020 tau/day, 21.556 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 20.809     | 20.809     | 20.809     |   0.0 | 99.43
-Neigh   | 0.088638   | 0.088638   | 0.088638   |   0.0 |  0.42
-Comm    | 0.013424   | 0.013424   | 0.013424   |   0.0 |  0.06
-Output  | 0.0002737  | 0.0002737  | 0.0002737  |   0.0 |  0.00
-Modify  | 0.014334   | 0.014334   | 0.014334   |   0.0 |  0.07
-Other   |            | 0.003089   |            |       |  0.01
+Pair    | 11.474     | 11.474     | 11.474     |   0.0 | 98.94
+Neigh   | 0.092903   | 0.092903   | 0.092903   |   0.0 |  0.80
+Comm    | 0.01373    | 0.01373    | 0.01373    |   0.0 |  0.12
+Output  | 0.00021935 | 0.00021935 | 0.00021935 |   0.0 |  0.00
+Modify  | 0.014506   | 0.014506   | 0.014506   |   0.0 |  0.13
+Other   |            | 0.002072   |            |       |  0.02
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -81,8 +82,10 @@ clear
   using 1 OpenMP thread(s) per MPI task
 
 read_restart    melt.restart
+  restoring atom style atomic from restart
   orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
+  pair style python stores no restart info
   4000 atoms
 
 pair_style	python 2.5
@@ -104,7 +107,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.36 | 3.36 | 3.36 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.396 | 3.396 | 3.396 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250    1.6275257   -4.7224992            0    -2.281821    5.9567365 
      300     1.645592   -4.7496711            0   -2.2819002    5.8734193 
@@ -112,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press
      400    1.6540555   -4.7622999            0    -2.281837    5.8200413 
      450    1.6264734   -4.7200865            0   -2.2809863    5.9546991 
      500    1.6366891   -4.7350979            0   -2.2806781    5.9369284 
-Loop time of 21.1422 on 1 procs for 250 steps with 4000 atoms
+Loop time of 11.6299 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 5108.279 tau/day, 11.825 timesteps/s
-98.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 9286.409 tau/day, 21.496 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 20.925     | 20.925     | 20.925     |   0.0 | 98.97
-Neigh   | 0.18452    | 0.18452    | 0.18452    |   0.0 |  0.87
-Comm    | 0.014836   | 0.014836   | 0.014836   |   0.0 |  0.07
-Output  | 0.00027108 | 0.00027108 | 0.00027108 |   0.0 |  0.00
-Modify  | 0.01366    | 0.01366    | 0.01366    |   0.0 |  0.06
-Other   |            | 0.004355   |            |       |  0.02
+Pair    | 11.403     | 11.403     | 11.403     |   0.0 | 98.05
+Neigh   | 0.19289    | 0.19289    | 0.19289    |   0.0 |  1.66
+Comm    | 0.015828   | 0.015828   | 0.015828   |   0.0 |  0.14
+Output  | 0.00018644 | 0.00018644 | 0.00018644 |   0.0 |  0.00
+Modify  | 0.014582   | 0.014582   | 0.014582   |   0.0 |  0.13
+Other   |            | 0.003107   |            |       |  0.03
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -175,7 +178,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.86 | 2.86 | 2.86 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.896 | 2.896 | 2.896 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    1.6275257   -4.7224992            0    -2.281821    5.9567365 
       50    1.6454666   -4.7497515            0   -2.2821686    5.8729175 
@@ -183,20 +186,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6537193   -4.7627023            0   -2.2827434    5.8177704 
      200    1.6258731   -4.7205017            0   -2.2823017     5.952511 
      250    1.6370862   -4.7373176            0   -2.2823022     5.925807 
-Loop time of 21.1026 on 1 procs for 250 steps with 4000 atoms
+Loop time of 11.6243 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 5117.845 tau/day, 11.847 timesteps/s
-98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 9290.855 tau/day, 21.507 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 20.984     | 20.984     | 20.984     |   0.0 | 99.44
-Neigh   | 0.088639   | 0.088639   | 0.088639   |   0.0 |  0.42
-Comm    | 0.012881   | 0.012881   | 0.012881   |   0.0 |  0.06
-Output  | 0.00028563 | 0.00028563 | 0.00028563 |   0.0 |  0.00
-Modify  | 0.013523   | 0.013523   | 0.013523   |   0.0 |  0.06
-Other   |            | 0.003033   |            |       |  0.01
+Pair    | 11.501     | 11.501     | 11.501     |   0.0 | 98.94
+Neigh   | 0.093333   | 0.093333   | 0.093333   |   0.0 |  0.80
+Comm    | 0.013483   | 0.013483   | 0.013483   |   0.0 |  0.12
+Output  | 0.00020981 | 0.00020981 | 0.00020981 |   0.0 |  0.00
+Modify  | 0.014475   | 0.014475   | 0.014475   |   0.0 |  0.12
+Other   |            | 0.001968   |            |       |  0.02
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -211,4 +214,4 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 shell rm melt.data melt.restart
-Total wall time: 0:01:05
+Total wall time: 0:00:35
diff --git a/examples/python/log.4May17.pair_python_melt.g++.4 b/examples/python/log.27Nov18.pair_python_melt.g++.4
similarity index 73%
rename from examples/python/log.4May17.pair_python_melt.g++.4
rename to examples/python/log.27Nov18.pair_python_melt.g++.4
index 58dae340bd..ca89640d30 100644
--- a/examples/python/log.4May17.pair_python_melt.g++.4
+++ b/examples/python/log.27Nov18.pair_python_melt.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000413418 secs
 mass		* 1.0
 
 velocity	all create 3.0 87287
@@ -39,7 +40,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.69 | 2.69 | 2.69 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733681            0   -2.2744931   -3.7033504 
       50    1.6754119   -4.7947589            0   -2.2822693    5.6615925 
@@ -47,20 +48,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6596605   -4.7699432            0   -2.2810749    5.7830138 
      200    1.6371874   -4.7365462            0   -2.2813789    5.9246674 
      250    1.6323462   -4.7292021            0   -2.2812949    5.9762238 
-Loop time of 5.65922 on 4 procs for 250 steps with 4000 atoms
+Loop time of 3.21263 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 19083.895 tau/day, 44.176 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 33617.340 tau/day, 77.818 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.4529     | 5.5207     | 5.5575     |   1.7 | 97.55
-Neigh   | 0.023164   | 0.023376   | 0.023883   |   0.2 |  0.41
-Comm    | 0.073318   | 0.1099     | 0.17804    |  12.2 |  1.94
-Output  | 0.00023365 | 0.00026143 | 0.00030684 |   0.0 |  0.00
-Modify  | 0.0036483  | 0.0037143  | 0.003896   |   0.2 |  0.07
-Other   |            | 0.001274   |            |       |  0.02
+Pair    | 2.9309     | 2.9942     | 3.1071     |   3.9 | 93.20
+Neigh   | 0.024111   | 0.024518   | 0.024765   |   0.2 |  0.76
+Comm    | 0.075799   | 0.1889     | 0.25258    |  15.5 |  5.88
+Output  | 0.00018406 | 0.00030106 | 0.00065088 |   0.0 |  0.01
+Modify  | 0.0038259  | 0.0038511  | 0.0038726  |   0.0 |  0.12
+Other   |            | 0.0009047  |            |       |  0.03
 
 Nlocal:    1000 ave 1010 max 982 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
@@ -81,8 +82,10 @@ clear
   using 1 OpenMP thread(s) per MPI task
 
 read_restart    melt.restart
+  restoring atom style atomic from restart
   orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
+  pair style python stores no restart info
   4000 atoms
 
 pair_style	python 2.5
@@ -104,7 +107,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.815 | 2.816 | 2.816 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.829 | 2.83 | 2.83 Mbytes
 Step Temp E_pair E_mol TotEng Press 
      250    1.6323462   -4.7292062            0   -2.2812991    5.9762168 
      300    1.6451788   -4.7488091            0   -2.2816578    5.8375485 
@@ -112,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press
      400    1.6388136   -4.7387093            0   -2.2811035    5.9331084 
      450    1.6431295   -4.7452215            0   -2.2811435    5.8929898 
      500     1.643316   -4.7454222            0   -2.2810644    5.8454817 
-Loop time of 5.70169 on 4 procs for 250 steps with 4000 atoms
+Loop time of 3.16401 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 18941.760 tau/day, 43.847 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 34133.894 tau/day, 79.014 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.3919     | 5.4905     | 5.6136     |   3.7 | 96.30
-Neigh   | 0.046791   | 0.047817   | 0.048795   |   0.3 |  0.84
-Comm    | 0.034221   | 0.1575     | 0.25635    |  22.1 |  2.76
-Output  | 0.00020409 | 0.00023448 | 0.00026131 |   0.0 |  0.00
-Modify  | 0.0035028  | 0.0035674  | 0.0036926  |   0.1 |  0.06
-Other   |            | 0.002079   |            |       |  0.04
+Pair    | 2.9254     | 2.9723     | 3.0639     |   3.2 | 93.94
+Neigh   | 0.04915    | 0.050266   | 0.050704   |   0.3 |  1.59
+Comm    | 0.044051   | 0.13579    | 0.18379    |  15.0 |  4.29
+Output  | 0.00016141 | 0.00028008 | 0.00063109 |   0.0 |  0.01
+Modify  | 0.0037544  | 0.003895   | 0.0041802  |   0.3 |  0.12
+Other   |            | 0.001474   |            |       |  0.05
 
 Nlocal:    1000 ave 1012 max 983 min
 Histogram: 1 0 0 0 0 0 2 0 0 1
@@ -175,7 +178,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.315 | 2.316 | 2.316 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.329 | 2.33 | 2.33 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    1.6323462   -4.7292062            0   -2.2812991    5.9762168 
       50    1.6450626   -4.7488948            0   -2.2819177    5.8370409 
@@ -183,20 +186,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6384234   -4.7389689            0   -2.2819482    5.9315273 
      200    1.6428814   -4.7460743            0   -2.2823683    5.8888228 
      250    1.6432631   -4.7466603            0   -2.2823818    5.8398819 
-Loop time of 5.69568 on 4 procs for 250 steps with 4000 atoms
+Loop time of 3.16461 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 18961.751 tau/day, 43.893 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 34127.383 tau/day, 78.999 timesteps/s
+98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.4041     | 5.5245     | 5.6139     |   3.2 | 96.99
-Neigh   | 0.022658   | 0.022986   | 0.023398   |   0.2 |  0.40
-Comm    | 0.053521   | 0.14309    | 0.26385    |  20.2 |  2.51
-Output  | 0.00027037 | 0.00029504 | 0.00033665 |   0.0 |  0.01
-Modify  | 0.0035288  | 0.0035585  | 0.0035827  |   0.0 |  0.06
-Other   |            | 0.001275   |            |       |  0.02
+Pair    | 2.9135     | 2.9842     | 3.0594     |   3.1 | 94.30
+Neigh   | 0.024132   | 0.024319   | 0.024553   |   0.1 |  0.77
+Comm    | 0.075955   | 0.15106    | 0.22174    |  13.9 |  4.77
+Output  | 0.00016856 | 0.00028443 | 0.00062919 |   0.0 |  0.01
+Modify  | 0.0037944  | 0.0038335  | 0.0038977  |   0.1 |  0.12
+Other   |            | 0.0008717  |            |       |  0.03
 
 Nlocal:    1000 ave 1013 max 989 min
 Histogram: 1 0 0 1 0 1 0 0 0 1
@@ -211,4 +214,4 @@ Neighbor list builds = 12
 Dangerous builds not checked
 
 shell rm melt.data melt.restart
-Total wall time: 0:00:17
+Total wall time: 0:00:09
diff --git a/examples/python/log.4May17.pair_python_spce.g++.1 b/examples/python/log.27Nov18.pair_python_spce.g++.1
similarity index 79%
rename from examples/python/log.4May17.pair_python_spce.g++.1
rename to examples/python/log.27Nov18.pair_python_spce.g++.1
index 540c06853f..c64f599fc3 100644
--- a/examples/python/log.4May17.pair_python_spce.g++.1
+++ b/examples/python/log.27Nov18.pair_python_spce.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 atom_style	full
@@ -52,7 +52,7 @@ fix		2 all nvt temp 300.0 300.0 100.0
 thermo 10
 run 100
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.279652
   grid = 40 40 40
   stencil order = 5
@@ -77,7 +77,7 @@ Neighbor list info ...
       pair build: skip
       stencil: none
       bin: none
-Per MPI rank memory allocation (min/avg/max) = 41.05 | 41.05 | 41.05 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 41.15 | 41.15 | 41.15 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0   -16692.369            0   -16692.369    -1289.222 
       10    120.56861   -17769.719            0   -16691.902   -4082.7098 
@@ -90,22 +90,22 @@ Step Temp E_pair E_mol TotEng Press
       80    182.94811   -18155.978            0   -16520.523   -2393.3156 
       90    191.29902   -18197.887            0   -16487.779   -2242.7104 
      100    194.70949   -18195.021            0   -16454.425   -1955.2916 
-Loop time of 23.5385 on 1 procs for 100 steps with 4500 atoms
+Loop time of 15.3744 on 1 procs for 100 steps with 4500 atoms
 
-Performance: 0.367 ns/day, 65.385 hours/ns, 4.248 timesteps/s
-98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.562 ns/day, 42.707 hours/ns, 6.504 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 21.642     | 21.642     | 21.642     |   0.0 | 91.94
-Bond    | 0.00021696 | 0.00021696 | 0.00021696 |   0.0 |  0.00
-Kspace  | 1.5436     | 1.5436     | 1.5436     |   0.0 |  6.56
-Neigh   | 0.25623    | 0.25623    | 0.25623    |   0.0 |  1.09
-Comm    | 0.024325   | 0.024325   | 0.024325   |   0.0 |  0.10
-Output  | 0.00064301 | 0.00064301 | 0.00064301 |   0.0 |  0.00
-Modify  | 0.065919   | 0.065919   | 0.065919   |   0.0 |  0.28
-Other   |            | 0.005401   |            |       |  0.02
+Pair    | 13.914     | 13.914     | 13.914     |   0.0 | 90.50
+Bond    | 0.00013375 | 0.00013375 | 0.00013375 |   0.0 |  0.00
+Kspace  | 1.0852     | 1.0852     | 1.0852     |   0.0 |  7.06
+Neigh   | 0.29811    | 0.29811    | 0.29811    |   0.0 |  1.94
+Comm    | 0.020503   | 0.020503   | 0.020503   |   0.0 |  0.13
+Output  | 0.00045133 | 0.00045133 | 0.00045133 |   0.0 |  0.00
+Modify  | 0.052513   | 0.052513   | 0.052513   |   0.0 |  0.34
+Other   |            | 0.00348    |            |       |  0.02
 
 Nlocal:    4500 ave 4500 max 4500 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -119,4 +119,4 @@ Ave neighs/atom = 578.169
 Ave special neighs/atom = 2
 Neighbor list builds = 3
 Dangerous builds = 0
-Total wall time: 0:00:24
+Total wall time: 0:00:15
diff --git a/examples/python/log.4May17.pair_python_spce.g++.4 b/examples/python/log.27Nov18.pair_python_spce.g++.4
similarity index 79%
rename from examples/python/log.4May17.pair_python_spce.g++.4
rename to examples/python/log.27Nov18.pair_python_spce.g++.4
index 332c079ec1..44a1e27be4 100644
--- a/examples/python/log.4May17.pair_python_spce.g++.4
+++ b/examples/python/log.27Nov18.pair_python_spce.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 atom_style	full
@@ -52,7 +52,7 @@ fix		2 all nvt temp 300.0 300.0 100.0
 thermo 10
 run 100
 PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.279652
   grid = 40 40 40
   stencil order = 5
@@ -77,7 +77,7 @@ Neighbor list info ...
       pair build: skip
       stencil: none
       bin: none
-Per MPI rank memory allocation (min/avg/max) = 14.59 | 14.59 | 14.59 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 14.64 | 14.64 | 14.64 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0   -16692.369            0   -16692.369    -1289.222 
       10    120.56861   -17769.719            0   -16691.902   -4082.7098 
@@ -90,22 +90,22 @@ Step Temp E_pair E_mol TotEng Press
       80    182.94811   -18155.978            0   -16520.523   -2393.3156 
       90    191.29902   -18197.887            0   -16487.779   -2242.7104 
      100    194.70949   -18195.021            0   -16454.425   -1955.2916 
-Loop time of 6.4942 on 4 procs for 100 steps with 4500 atoms
+Loop time of 4.36104 on 4 procs for 100 steps with 4500 atoms
 
-Performance: 1.330 ns/day, 18.039 hours/ns, 15.398 timesteps/s
-98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 1.981 ns/day, 12.114 hours/ns, 22.930 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.4084     | 5.572      | 5.8013     |   7.2 | 85.80
-Bond    | 0.00012994 | 0.0001421  | 0.00016356 |   0.0 |  0.00
-Kspace  | 0.52942    | 0.75773    | 0.92078    |  19.5 | 11.67
-Neigh   | 0.071055   | 0.07116    | 0.071278   |   0.0 |  1.10
-Comm    | 0.040311   | 0.041255   | 0.041817   |   0.3 |  0.64
-Output  | 0.00040603 | 0.00048071 | 0.00058675 |   0.0 |  0.01
-Modify  | 0.047507   | 0.047629   | 0.047772   |   0.1 |  0.73
-Other   |            | 0.003771   |            |       |  0.06
+Pair    | 3.5019     | 3.6105     | 3.738      |   4.4 | 82.79
+Bond    | 0.00010133 | 0.00013196 | 0.00017118 |   0.0 |  0.00
+Kspace  | 0.47082    | 0.59641    | 0.70417    |  10.8 | 13.68
+Neigh   | 0.081036   | 0.081042   | 0.081047   |   0.0 |  1.86
+Comm    | 0.030113   | 0.03092    | 0.03135    |   0.3 |  0.71
+Output  | 0.00034952 | 0.00064117 | 0.001514   |   0.0 |  0.01
+Modify  | 0.036583   | 0.037553   | 0.038021   |   0.3 |  0.86
+Other   |            | 0.00388    |            |       |  0.09
 
 Nlocal:    1125 ave 1154 max 1092 min
 Histogram: 1 0 0 0 1 0 0 1 0 1
@@ -119,4 +119,4 @@ Ave neighs/atom = 578.169
 Ave special neighs/atom = 2
 Neighbor list builds = 3
 Dangerous builds = 0
-Total wall time: 0:00:06
+Total wall time: 0:00:04
diff --git a/examples/python/log.4May17.pair_python_table.g++.1 b/examples/python/log.27Nov18.pair_python_table.g++.1
similarity index 77%
rename from examples/python/log.4May17.pair_python_table.g++.1
rename to examples/python/log.27Nov18.pair_python_table.g++.1
index c594a8e90a..86f98384cb 100644
--- a/examples/python/log.4May17.pair_python_table.g++.1
+++ b/examples/python/log.27Nov18.pair_python_table.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000697136 secs
 mass		* 1.0
 
 velocity	all create 3.0 87287
@@ -38,7 +39,7 @@ Neighbor list info ...
 pair_style      table linear 2000
 pair_coeff      1 1 lj_1_1.table LJ
 WARNING: 2 of 2000 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:476)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 neighbor	0.3 bin
 neigh_modify	every 20 delay 0 check no
@@ -59,7 +60,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.184 | 3.184 | 3.184 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.221 | 3.221 | 3.221 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733629            0   -2.2744879   -3.7032813 
       50    1.6758731   -4.7953067            0   -2.2821255    5.6706553 
@@ -67,20 +68,20 @@ Step Temp E_pair E_mol TotEng Press
      150     1.632425   -4.7284533            0   -2.2804279    5.9595684 
      200    1.6631578   -4.7749889            0   -2.2808759    5.7365839 
      250    1.6277062   -4.7224727            0   -2.2815238    5.9572913 
-Loop time of 0.996739 on 1 procs for 250 steps with 4000 atoms
+Loop time of 0.94897 on 1 procs for 250 steps with 4000 atoms
 
-Performance: 108353.298 tau/day, 250.818 timesteps/s
-99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 113807.650 tau/day, 263.444 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.87985    | 0.87985    | 0.87985    |   0.0 | 88.27
-Neigh   | 0.08799    | 0.08799    | 0.08799    |   0.0 |  8.83
-Comm    | 0.012301   | 0.012301   | 0.012301   |   0.0 |  1.23
-Output  | 0.00013161 | 0.00013161 | 0.00013161 |   0.0 |  0.01
-Modify  | 0.013656   | 0.013656   | 0.013656   |   0.0 |  1.37
-Other   |            | 0.002808   |            |       |  0.28
+Pair    | 0.82415    | 0.82415    | 0.82415    |   0.0 | 86.85
+Neigh   | 0.093798   | 0.093798   | 0.093798   |   0.0 |  9.88
+Comm    | 0.013542   | 0.013542   | 0.013542   |   0.0 |  1.43
+Output  | 0.00017834 | 0.00017834 | 0.00017834 |   0.0 |  0.02
+Modify  | 0.014418   | 0.014418   | 0.014418   |   0.0 |  1.52
+Other   |            | 0.002882   |            |       |  0.30
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -96,4 +97,4 @@ Dangerous builds not checked
 
 shell rm lj_1_1.table
 
-Total wall time: 0:00:01
+Total wall time: 0:00:00
diff --git a/examples/python/log.4May17.pair_python_table.g++.4 b/examples/python/log.27Nov18.pair_python_table.g++.4
similarity index 78%
rename from examples/python/log.4May17.pair_python_table.g++.4
rename to examples/python/log.27Nov18.pair_python_table.g++.4
index e509fc7f6a..3d7ad148e4 100644
--- a/examples/python/log.4May17.pair_python_table.g++.4
+++ b/examples/python/log.27Nov18.pair_python_table.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (4 May 2017)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt
 
@@ -13,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000404596 secs
 mass		* 1.0
 
 velocity	all create 3.0 87287
@@ -38,7 +39,7 @@ Neighbor list info ...
 pair_style      table linear 2000
 pair_coeff      1 1 lj_1_1.table LJ
 WARNING: 2 of 2000 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:476)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 neighbor	0.3 bin
 neigh_modify	every 20 delay 0 check no
@@ -59,7 +60,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.69 | 2.69 | 2.69 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.705 | 2.705 | 2.705 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            3   -6.7733629            0   -2.2744879   -3.7032813 
       50     1.675395   -4.7945736            0   -2.2821094    5.6620623 
@@ -67,20 +68,20 @@ Step Temp E_pair E_mol TotEng Press
      150    1.6595852   -4.7697199            0   -2.2809644    5.7837898 
      200    1.6371471   -4.7363942            0   -2.2812874     5.924977 
      250    1.6315623   -4.7278268            0   -2.2810951    5.9807196 
-Loop time of 0.291846 on 4 procs for 250 steps with 4000 atoms
+Loop time of 0.285577 on 4 procs for 250 steps with 4000 atoms
 
-Performance: 370058.286 tau/day, 856.616 timesteps/s
-99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 378181.086 tau/day, 875.419 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.22586    | 0.23364    | 0.24085    |   1.3 | 80.06
-Neigh   | 0.022808   | 0.023235   | 0.023602   |   0.2 |  7.96
-Comm    | 0.022573   | 0.030065   | 0.038092   |   3.9 | 10.30
-Output  | 0.00013423 | 0.00014067 | 0.00015759 |   0.0 |  0.05
-Modify  | 0.0035079  | 0.0035501  | 0.0036008  |   0.1 |  1.22
-Other   |            | 0.001211   |            |       |  0.42
+Pair    | 0.2111     | 0.21779    | 0.22447    |   1.0 | 76.26
+Neigh   | 0.024165   | 0.024465   | 0.0247     |   0.1 |  8.57
+Comm    | 0.03147    | 0.038356   | 0.044902   |   2.5 | 13.43
+Output  | 0.00016117 | 0.00022227 | 0.00040102 |   0.0 |  0.08
+Modify  | 0.0037565  | 0.0038704  | 0.0040345  |   0.2 |  1.36
+Other   |            | 0.0008699  |            |       |  0.30
 
 Nlocal:    1000 ave 1010 max 981 min
 Histogram: 1 0 0 0 0 0 1 0 0 2
diff --git a/examples/python/log.5Oct16.python.g++.1 b/examples/python/log.27Nov18.python.g++.1
similarity index 53%
rename from examples/python/log.5Oct16.python.g++.1
rename to examples/python/log.27Nov18.python.g++.1
index 1f58c69165..facbd73bab 100644
--- a/examples/python/log.5Oct16.python.g++.1
+++ b/examples/python/log.27Nov18.python.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt with Python functions added
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.00072813 secs
 mass		1 1.0
 
 velocity	all create 1.44 87287 loop geom
@@ -26,30 +28,35 @@ fix		1 all nve
 
 run		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.69271 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.721 | 3.721 | 3.721 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44   -6.7733681            0   -4.6139081   -5.0199732 
       10    1.1259767   -6.3010653            0   -4.6125225   -2.5704638 
-Loop time of 0.0323398 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.0312054 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 133581.484 tau/day, 309.216 timesteps/s
-102.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 138437.508 tau/day, 320.457 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.024638   | 0.024638   | 0.024638   |   0.0 | 76.18
-Neigh   | 0.0063899  | 0.0063899  | 0.0063899  |   0.0 | 19.76
-Comm    | 0.00049949 | 0.00049949 | 0.00049949 |   0.0 |  1.54
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.06
-Modify  | 0.00050044 | 0.00050044 | 0.00050044 |   0.0 |  1.55
-Other   |            | 0.0002944  |            |       |  0.91
+Pair    | 0.022328   | 0.022328   | 0.022328   |   0.0 | 71.55
+Neigh   | 0.0073318  | 0.0073318  | 0.0073318  |   0.0 | 23.50
+Comm    | 0.0006578  | 0.0006578  | 0.0006578  |   0.0 |  2.11
+Output  | 2.6941e-05 | 2.6941e-05 | 2.6941e-05 |   0.0 |  0.09
+Modify  | 0.00057721 | 0.00057721 | 0.00057721 |   0.0 |  1.85
+Other   |            | 0.0002832  |            |       |  0.91
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -67,13 +74,14 @@ Dangerous builds = 0
 # example of catching a syntax error
 
 python          simple here """
+from __future__ import print_function
 def simple():
-  import exceptions
-  print "Inside simple function"
+  foo = 0
+  print("Inside simple function")
   try:
     foo += 1
-  except Exception, e:
-    print "FOO error:",e
+  except Exception as e:
+    print("FOO error:", e)
 """
 
 python          simple invoke
@@ -110,31 +118,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.0
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 26 26 26
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       10    1.1259767  0.016557378            0    1.7051002    1.2784679 
       20   0.87608998   0.39300382            0    1.7068103    6.0488236 
-Loop time of 0.0046258 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.00488138 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 933893.067 tau/day, 2161.790 timesteps/s
-86.4% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 884995.276 tau/day, 2048.600 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.001574   | 0.001574   | 0.001574   |   0.0 | 34.03
-Neigh   | 0.0020421  | 0.0020421  | 0.0020421  |   0.0 | 44.14
-Comm    | 0.00025463 | 0.00025463 | 0.00025463 |   0.0 |  5.50
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.39
-Modify  | 0.00049615 | 0.00049615 | 0.00049615 |   0.0 | 10.73
-Other   |            | 0.000241   |            |       |  5.21
+Pair    | 0.0017166  | 0.0017166  | 0.0017166  |   0.0 | 35.17
+Neigh   | 0.0020256  | 0.0020256  | 0.0020256  |   0.0 | 41.50
+Comm    | 0.00028539 | 0.00028539 | 0.00028539 |   0.0 |  5.85
+Output  | 2.6703e-05 | 2.6703e-05 | 2.6703e-05 |   0.0 |  0.55
+Modify  | 0.00057387 | 0.00057387 | 0.00057387 |   0.0 | 11.76
+Other   |            | 0.0002532  |            |       |  5.19
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -151,31 +152,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.1
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.4
-  ghost atom cutoff = 1.4
-  binsize = 0.7 -> bins = 24 24 24
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       20   0.87608998  -0.33042884            0    0.9833776    8.5817494 
       30    1.0155079  -0.83166219            0   0.69121891    7.9905553 
-Loop time of 0.00619817 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.00647616 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 696980.162 tau/day, 1613.380 timesteps/s
-96.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 667061.565 tau/day, 1544.124 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0029786  | 0.0029786  | 0.0029786  |   0.0 | 48.06
-Neigh   | 0.002203   | 0.002203   | 0.002203   |   0.0 | 35.54
-Comm    | 0.00025678 | 0.00025678 | 0.00025678 |   0.0 |  4.14
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.29
-Modify  | 0.00049472 | 0.00049472 | 0.00049472 |   0.0 |  7.98
-Other   |            | 0.0002472  |            |       |  3.99
+Pair    | 0.0030439  | 0.0030439  | 0.0030439  |   0.0 | 47.00
+Neigh   | 0.002295   | 0.002295   | 0.002295   |   0.0 | 35.44
+Comm    | 0.00028467 | 0.00028467 | 0.00028467 |   0.0 |  4.40
+Output  | 2.3842e-05 | 2.3842e-05 | 2.3842e-05 |   0.0 |  0.37
+Modify  | 0.0005753  | 0.0005753  | 0.0005753  |   0.0 |  8.88
+Other   |            | 0.0002534  |            |       |  3.91
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -192,31 +186,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.2
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.5
-  ghost atom cutoff = 1.5
-  binsize = 0.75 -> bins = 23 23 23
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       30    1.0155079   -2.0616558            0  -0.53877467    7.6238572 
       40    1.0490928   -2.1868324            0  -0.61358669    7.2084131 
-Loop time of 0.00750899 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.00802207 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 575310.153 tau/day, 1331.736 timesteps/s
-93.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 538514.378 tau/day, 1246.561 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.004189   | 0.004189   | 0.004189   |   0.0 | 55.79
-Neigh   | 0.0022991  | 0.0022991  | 0.0022991  |   0.0 | 30.62
-Comm    | 0.0002594  | 0.0002594  | 0.0002594  |   0.0 |  3.45
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.24
-Modify  | 0.00049615 | 0.00049615 | 0.00049615 |   0.0 |  6.61
-Other   |            | 0.0002475  |            |       |  3.30
+Pair    | 0.0044219  | 0.0044219  | 0.0044219  |   0.0 | 55.12
+Neigh   | 0.0024219  | 0.0024219  | 0.0024219  |   0.0 | 30.19
+Comm    | 0.00030112 | 0.00030112 | 0.00030112 |   0.0 |  3.75
+Output  | 2.5749e-05 | 2.5749e-05 | 2.5749e-05 |   0.0 |  0.32
+Modify  | 0.00059366 | 0.00059366 | 0.00059366 |   0.0 |  7.40
+Other   |            | 0.0002577  |            |       |  3.21
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -233,31 +220,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.3
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.6
-  ghost atom cutoff = 1.6
-  binsize = 0.8 -> bins = 21 21 21
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       40    1.0490928   -3.0667608            0    -1.493515    6.2796311 
       50    1.0764484   -3.1173704            0   -1.5031014    6.0850409 
-Loop time of 0.00869107 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.00908327 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 497061.786 tau/day, 1150.606 timesteps/s
-103.5% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 475599.593 tau/day, 1100.925 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0049038  | 0.0049038  | 0.0049038  |   0.0 | 56.42
-Neigh   | 0.0027289  | 0.0027289  | 0.0027289  |   0.0 | 31.40
-Comm    | 0.00028753 | 0.00028753 | 0.00028753 |   0.0 |  3.31
-Output  | 2.0027e-05 | 2.0027e-05 | 2.0027e-05 |   0.0 |  0.23
-Modify  | 0.00049758 | 0.00049758 | 0.00049758 |   0.0 |  5.73
-Other   |            | 0.0002532  |            |       |  2.91
+Pair    | 0.0049157  | 0.0049157  | 0.0049157  |   0.0 | 54.12
+Neigh   | 0.0029771  | 0.0029771  | 0.0029771  |   0.0 | 32.78
+Comm    | 0.00033617 | 0.00033617 | 0.00033617 |   0.0 |  3.70
+Output  | 2.3127e-05 | 2.3127e-05 | 2.3127e-05 |   0.0 |  0.25
+Modify  | 0.00057578 | 0.00057578 | 0.00057578 |   0.0 |  6.34
+Other   |            | 0.0002553  |            |       |  2.81
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -274,31 +254,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.4
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.7
-  ghost atom cutoff = 1.7
-  binsize = 0.85 -> bins = 20 20 20
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       50    1.0764484   -3.6112241            0   -1.9969552    5.4223348 
       60    1.1101013   -3.6616014            0   -1.9968657    5.2348251 
-Loop time of 0.00934482 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.0096159 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 462288.386 tau/day, 1070.112 timesteps/s
-96.3% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 449256.007 tau/day, 1039.944 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0055761  | 0.0055761  | 0.0055761  |   0.0 | 59.67
-Neigh   | 0.002676   | 0.002676   | 0.002676   |   0.0 | 28.64
-Comm    | 0.00032163 | 0.00032163 | 0.00032163 |   0.0 |  3.44
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.19
-Modify  | 0.00049901 | 0.00049901 | 0.00049901 |   0.0 |  5.34
-Other   |            | 0.0002542  |            |       |  2.72
+Pair    | 0.0054793  | 0.0054793  | 0.0054793  |   0.0 | 56.98
+Neigh   | 0.0028973  | 0.0028973  | 0.0028973  |   0.0 | 30.13
+Comm    | 0.00038075 | 0.00038075 | 0.00038075 |   0.0 |  3.96
+Output  | 2.3127e-05 | 2.3127e-05 | 2.3127e-05 |   0.0 |  0.24
+Modify  | 0.00057387 | 0.00057387 | 0.00057387 |   0.0 |  5.97
+Other   |            | 0.0002615  |            |       |  2.72
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -315,31 +288,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.5
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.8
-  ghost atom cutoff = 1.8
-  binsize = 0.9 -> bins = 19 19 19
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       60    1.1101013   -3.9655053            0   -2.3007696    4.7849008 
       70    1.1122144   -3.9657095            0    -2.297805    4.8014106 
-Loop time of 0.0103869 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.0107083 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 415906.746 tau/day, 962.747 timesteps/s
-96.3% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 403424.172 tau/day, 933.852 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0063703  | 0.0063703  | 0.0063703  |   0.0 | 61.33
-Neigh   | 0.002893   | 0.002893   | 0.002893   |   0.0 | 27.85
-Comm    | 0.00034499 | 0.00034499 | 0.00034499 |   0.0 |  3.32
-Output  | 1.7881e-05 | 1.7881e-05 | 1.7881e-05 |   0.0 |  0.17
-Modify  | 0.00050139 | 0.00050139 | 0.00050139 |   0.0 |  4.83
-Other   |            | 0.0002594  |            |       |  2.50
+Pair    | 0.0062652  | 0.0062652  | 0.0062652  |   0.0 | 58.51
+Neigh   | 0.0031667  | 0.0031667  | 0.0031667  |   0.0 | 29.57
+Comm    | 0.00041771 | 0.00041771 | 0.00041771 |   0.0 |  3.90
+Output  | 2.265e-05  | 2.265e-05  | 2.265e-05  |   0.0 |  0.21
+Modify  | 0.0005734  | 0.0005734  | 0.0005734  |   0.0 |  5.35
+Other   |            | 0.0002627  |            |       |  2.45
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -356,31 +322,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.6
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.9
-  ghost atom cutoff = 1.9
-  binsize = 0.95 -> bins = 18 18 18
-Memory usage per processor = 2.78761 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.816 | 3.816 | 3.816 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       70    1.1122144   -4.1752688            0   -2.5073643    4.4755409 
       80     1.117224   -4.1831357            0   -2.5077187     4.446079 
-Loop time of 0.0116282 on 1 procs for 10 steps with 4000 atoms
+Loop time of 0.0121632 on 1 procs for 10 steps with 4000 atoms
 
-Performance: 371512.205 tau/day, 859.982 timesteps/s
-103.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 355170.795 tau/day, 822.155 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0074186  | 0.0074186  | 0.0074186  |   0.0 | 63.80
-Neigh   | 0.0030658  | 0.0030658  | 0.0030658  |   0.0 | 26.37
-Comm    | 0.00036025 | 0.00036025 | 0.00036025 |   0.0 |  3.10
-Output  | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 |   0.0 |  0.15
-Modify  | 0.0005033  | 0.0005033  | 0.0005033  |   0.0 |  4.33
-Other   |            | 0.000263   |            |       |  2.26
+Pair    | 0.0074623  | 0.0074623  | 0.0074623  |   0.0 | 61.35
+Neigh   | 0.0033951  | 0.0033951  | 0.0033951  |   0.0 | 27.91
+Comm    | 0.00043678 | 0.00043678 | 0.00043678 |   0.0 |  3.59
+Output  | 2.408e-05  | 2.408e-05  | 2.408e-05  |   0.0 |  0.20
+Modify  | 0.00057578 | 0.00057578 | 0.00057578 |   0.0 |  4.73
+Other   |            | 0.0002692  |            |       |  2.21
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/python/log.5Oct16.python.g++.4 b/examples/python/log.27Nov18.python.g++.4
similarity index 53%
rename from examples/python/log.5Oct16.python.g++.4
rename to examples/python/log.27Nov18.python.g++.4
index 816fbf977b..cd451e49b7 100644
--- a/examples/python/log.5Oct16.python.g++.4
+++ b/examples/python/log.27Nov18.python.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d Lennard-Jones melt with Python functions added
 
 units		lj
@@ -12,6 +13,7 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 4000 atoms
+  Time spent = 0.000517368 secs
 mass		1 1.0
 
 velocity	all create 1.44 87287 loop geom
@@ -26,30 +28,35 @@ fix		1 all nve
 
 run		10
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 12
-Memory usage per processor = 2.60344 Mbytes
+  binsize = 1.4, bins = 12 12 12
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.205 | 3.205 | 3.205 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44   -6.7733681            0   -4.6139081   -5.0199732 
       10    1.1259767   -6.3010653            0   -4.6125225   -2.5704638 
-Loop time of 0.00930309 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00902343 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 464361.693 tau/day, 1074.911 timesteps/s
-96.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 478753.753 tau/day, 1108.226 timesteps/s
+99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0064399  | 0.0064787  | 0.0065157  |   0.0 | 69.64
-Neigh   | 0.0017071  | 0.0017205  | 0.0017281  |   0.0 | 18.49
-Comm    | 0.00073171 | 0.00077122 | 0.00081086 |   0.1 |  8.29
-Output  | 1.9789e-05 | 2.3663e-05 | 2.9087e-05 |   0.1 |  0.25
-Modify  | 0.00012827 | 0.00012904 | 0.00013018 |   0.0 |  1.39
-Other   |            | 0.0001799  |            |       |  1.93
+Pair    | 0.0058084  | 0.0058863  | 0.0059605  |   0.1 | 65.23
+Neigh   | 0.0019183  | 0.0019591  | 0.0020542  |   0.1 | 21.71
+Comm    | 0.00081086 | 0.00084025 | 0.00090694 |   0.0 |  9.31
+Output  | 2.1458e-05 | 2.9743e-05 | 4.53e-05   |   0.0 |  0.33
+Modify  | 0.00015211 | 0.00015229 | 0.00015259 |   0.0 |  1.69
+Other   |            | 0.0001558  |            |       |  1.73
 
 Nlocal:    1000 ave 1013 max 989 min
 Histogram: 1 0 1 0 0 1 0 0 0 1
@@ -67,13 +74,14 @@ Dangerous builds = 0
 # example of catching a syntax error
 
 python          simple here """
+from __future__ import print_function
 def simple():
-  import exceptions
-  print "Inside simple function"
+  foo = 0
+  print("Inside simple function")
   try:
     foo += 1
-  except Exception, e:
-    print "FOO error:",e
+  except Exception as e:
+    print("FOO error:", e)
 """
 
 python          simple invoke
@@ -110,31 +118,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.0
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.3
-  ghost atom cutoff = 1.3
-  binsize = 0.65 -> bins = 26 26 26
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       10    1.1259767  0.016557378            0    1.7051002    1.2784679 
       20   0.87608998   0.39300382            0    1.7068103    6.0488236 
-Loop time of 0.00152922 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00153601 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 2824975.566 tau/day, 6539.295 timesteps/s
-130.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2812478.584 tau/day, 6510.367 timesteps/s
+91.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00040293 | 0.0004105  | 0.00041485 |   0.0 | 26.84
-Neigh   | 0.00057507 | 0.00060332 | 0.00062108 |   0.1 | 39.45
-Comm    | 0.0002377  | 0.00025356 | 0.00026774 |   0.1 | 16.58
-Output  | 1.9073e-05 | 1.9789e-05 | 2.1935e-05 |   0.0 |  1.29
-Modify  | 0.00012994 | 0.00013161 | 0.00013328 |   0.0 |  8.61
-Other   |            | 0.0001104  |            |       |  7.22
+Pair    | 0.00042677 | 0.00043494 | 0.00044322 |   0.0 | 28.32
+Neigh   | 0.00051236 | 0.00051689 | 0.00052524 |   0.0 | 33.65
+Comm    | 0.00025344 | 0.00026941 | 0.00027728 |   0.0 | 17.54
+Output  | 1.7881e-05 | 2.3544e-05 | 3.9339e-05 |   0.0 |  1.53
+Modify  | 0.00015187 | 0.00015521 | 0.00016356 |   0.0 | 10.10
+Other   |            | 0.000136   |            |       |  8.86
 
 Nlocal:    1000 ave 1015 max 987 min
 Histogram: 1 0 0 1 0 1 0 0 0 1
@@ -151,31 +152,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.1
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.4
-  ghost atom cutoff = 1.4
-  binsize = 0.7 -> bins = 24 24 24
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       20   0.87608998  -0.33042884            0    0.9833776    8.5817494 
       30    1.0155079  -0.83166219            0   0.69121891    7.9905553 
-Loop time of 0.00186676 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00198567 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 2314172.647 tau/day, 5356.881 timesteps/s
-107.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 2175589.035 tau/day, 5036.086 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00075388 | 0.00077951 | 0.00079727 |   0.1 | 41.76
-Neigh   | 0.00057292 | 0.00058091 | 0.00058484 |   0.0 | 31.12
-Comm    | 0.00022578 | 0.00024849 | 0.00028563 |   0.1 | 13.31
-Output  | 1.7881e-05 | 1.8656e-05 | 2.0981e-05 |   0.0 |  1.00
-Modify  | 0.00012493 | 0.00012845 | 0.00013137 |   0.0 |  6.88
-Other   |            | 0.0001107  |            |       |  5.93
+Pair    | 0.00076985 | 0.00078291 | 0.00079393 |   0.0 | 39.43
+Neigh   | 0.0005703  | 0.00057709 | 0.00058103 |   0.0 | 29.06
+Comm    | 0.00030351 | 0.00031525 | 0.00033665 |   0.0 | 15.88
+Output  | 1.9073e-05 | 2.4378e-05 | 4.0054e-05 |   0.0 |  1.23
+Modify  | 0.00014806 | 0.00015008 | 0.00015354 |   0.0 |  7.56
+Other   |            | 0.000136   |            |       |  6.85
 
 Nlocal:    1000 ave 1019 max 983 min
 Histogram: 1 0 1 0 0 0 1 0 0 1
@@ -192,31 +186,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.2
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.5
-  ghost atom cutoff = 1.5
-  binsize = 0.75 -> bins = 23 23 23
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       30    1.0155079   -2.0616558            0  -0.53877467    7.6238572 
       40    1.0490928   -2.1868324            0  -0.61358669    7.2084131 
-Loop time of 0.00224304 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00232226 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 1925955.918 tau/day, 4458.231 timesteps/s
-89.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1860259.570 tau/day, 4306.156 timesteps/s
+99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0010781  | 0.0011036  | 0.0011303  |   0.1 | 49.20
-Neigh   | 0.00060606 | 0.00060952 | 0.00061703 |   0.0 | 27.17
-Comm    | 0.00023556 | 0.0002715  | 0.00029659 |   0.1 | 12.10
-Output  | 1.7881e-05 | 1.8656e-05 | 2.0981e-05 |   0.0 |  0.83
-Modify  | 0.00012541 | 0.00012833 | 0.00013351 |   0.0 |  5.72
-Other   |            | 0.0001114  |            |       |  4.97
+Pair    | 0.0010829  | 0.0010984  | 0.0011158  |   0.0 | 47.30
+Neigh   | 0.00060892 | 0.00061285 | 0.00062037 |   0.0 | 26.39
+Comm    | 0.00027418 | 0.00030226 | 0.00031734 |   0.0 | 13.02
+Output  | 1.7881e-05 | 2.3305e-05 | 3.8624e-05 |   0.0 |  1.00
+Modify  | 0.00014758 | 0.00014979 | 0.0001533  |   0.0 |  6.45
+Other   |            | 0.0001357  |            |       |  5.84
 
 Nlocal:    1000 ave 1013 max 984 min
 Histogram: 1 0 0 1 0 0 0 0 1 1
@@ -233,31 +220,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.3
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.6
-  ghost atom cutoff = 1.6
-  binsize = 0.8 -> bins = 21 21 21
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       40    1.0490928   -3.0667608            0    -1.493515    6.2796311 
       50    1.0764484   -3.1173704            0   -1.5031014    6.0850409 
-Loop time of 0.00257862 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00268328 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 1675317.210 tau/day, 3878.049 timesteps/s
-77.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1609968.749 tau/day, 3726.780 timesteps/s
+99.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0012422  | 0.0012776  | 0.0013103  |   0.1 | 49.55
-Neigh   | 0.0007019  | 0.00072145 | 0.00073099 |   0.0 | 27.98
-Comm    | 0.00027132 | 0.00031221 | 0.00036168 |   0.2 | 12.11
-Output  | 1.7881e-05 | 1.9133e-05 | 2.1935e-05 |   0.0 |  0.74
-Modify  | 0.00012279 | 0.00012654 | 0.00012875 |   0.0 |  4.91
-Other   |            | 0.0001217  |            |       |  4.72
+Pair    | 0.0012326  | 0.0012579  | 0.0012789  |   0.1 | 46.88
+Neigh   | 0.00073671 | 0.00076056 | 0.00077105 |   0.0 | 28.34
+Comm    | 0.00031805 | 0.00035089 | 0.0003984  |   0.0 | 13.08
+Output  | 1.7405e-05 | 2.2769e-05 | 3.8147e-05 |   0.0 |  0.85
+Modify  | 0.00014949 | 0.00015247 | 0.00015497 |   0.0 |  5.68
+Other   |            | 0.0001387  |            |       |  5.17
 
 Nlocal:    1000 ave 1013 max 974 min
 Histogram: 1 0 0 0 0 0 0 1 0 2
@@ -274,31 +254,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.4
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.7
-  ghost atom cutoff = 1.7
-  binsize = 0.85 -> bins = 20 20 20
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       50    1.0764484   -3.6112241            0   -1.9969552    5.4223348 
       60    1.1101013   -3.6616014            0   -1.9968657    5.2348251 
-Loop time of 0.00283062 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00504404 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 1526164.943 tau/day, 3532.789 timesteps/s
-97.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 856455.812 tau/day, 1982.537 timesteps/s
+88.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0014381  | 0.0014688  | 0.0015128  |   0.1 | 51.89
-Neigh   | 0.00070405 | 0.000714   | 0.00071907 |   0.0 | 25.22
-Comm    | 0.00032473 | 0.00037426 | 0.0004046  |   0.2 | 13.22
-Output  | 1.8835e-05 | 1.961e-05  | 2.1935e-05 |   0.0 |  0.69
-Modify  | 0.00012612 | 0.00012892 | 0.00013089 |   0.0 |  4.55
-Other   |            | 0.000125   |            |       |  4.42
+Pair    | 0.0013909  | 0.001602   | 0.0021472  |   0.8 | 31.76
+Neigh   | 0.00074077 | 0.00075352 | 0.00076365 |   0.0 | 14.94
+Comm    | 0.00083065 | 0.0018672  | 0.0025668  |   1.7 | 37.02
+Output  | 2.1458e-05 | 2.7359e-05 | 4.4346e-05 |   0.0 |  0.54
+Modify  | 0.00014758 | 0.0001505  | 0.00015235 |   0.0 |  2.98
+Other   |            | 0.0006434  |            |       | 12.76
 
 Nlocal:    1000 ave 1016 max 981 min
 Histogram: 1 0 0 0 1 0 1 0 0 1
@@ -315,31 +288,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.5
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.8
-  ghost atom cutoff = 1.8
-  binsize = 0.9 -> bins = 19 19 19
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       60    1.1101013   -3.9655053            0   -2.3007696    4.7849008 
       70    1.1122144   -3.9657095            0    -2.297805    4.8014106 
-Loop time of 0.00313491 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.003398 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 1378031.621 tau/day, 3189.888 timesteps/s
-87.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1271335.633 tau/day, 2942.907 timesteps/s
+98.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0016167  | 0.001663   | 0.0016985  |   0.1 | 53.05
-Neigh   | 0.00075388 | 0.00076818 | 0.00078201 |   0.0 | 24.50
-Comm    | 0.00037456 | 0.00042272 | 0.00048018 |   0.2 | 13.48
-Output  | 1.7881e-05 | 1.9133e-05 | 2.1935e-05 |   0.0 |  0.61
-Modify  | 0.00012636 | 0.00012881 | 0.00013304 |   0.0 |  4.11
-Other   |            | 0.0001331  |            |       |  4.25
+Pair    | 0.0015702  | 0.0016137  | 0.001651   |   0.1 | 47.49
+Neigh   | 0.00080371 | 0.00082165 | 0.00084138 |   0.0 | 24.18
+Comm    | 0.0005908  | 0.00064844 | 0.00071096 |   0.0 | 19.08
+Output  | 1.7643e-05 | 2.3365e-05 | 4.0293e-05 |   0.0 |  0.69
+Modify  | 0.00014853 | 0.00015211 | 0.00015593 |   0.0 |  4.48
+Other   |            | 0.0001387  |            |       |  4.08
 
 Nlocal:    1000 ave 1022 max 982 min
 Histogram: 1 0 0 1 0 1 0 0 0 1
@@ -356,31 +322,24 @@ pair_style lj/cut ${cut}
 pair_style lj/cut 1.6
 pair_coeff * * 1.0 1.0
 run 10
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.9
-  ghost atom cutoff = 1.9
-  binsize = 0.95 -> bins = 18 18 18
-Memory usage per processor = 2.63679 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.238 | 3.238 | 3.238 Mbytes
 Step Temp E_pair E_mol TotEng Press 
       70    1.1122144   -4.1752688            0   -2.5073643    4.4755409 
       80     1.117224   -4.1831357            0   -2.5077187     4.446079 
-Loop time of 0.00345927 on 4 procs for 10 steps with 4000 atoms
+Loop time of 0.00420767 on 4 procs for 10 steps with 4000 atoms
 
-Performance: 1248816.671 tau/day, 2890.779 timesteps/s
-79.5% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 1026696.317 tau/day, 2376.612 timesteps/s
+95.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0019331  | 0.0019561  | 0.0019834  |   0.0 | 56.55
-Neigh   | 0.00081587 | 0.00081897 | 0.00082588 |   0.0 | 23.67
-Comm    | 0.00037837 | 0.00040215 | 0.00041842 |   0.1 | 11.63
-Output  | 1.812e-05  | 1.9312e-05 | 2.1935e-05 |   0.0 |  0.56
-Modify  | 0.00012708 | 0.00013059 | 0.00013423 |   0.0 |  3.78
-Other   |            | 0.0001321  |            |       |  3.82
+Pair    | 0.0019023  | 0.00194    | 0.0019965  |   0.1 | 46.11
+Neigh   | 0.00088286 | 0.00088775 | 0.00089431 |   0.0 | 21.10
+Comm    | 0.0010023  | 0.0010559  | 0.0010967  |   0.1 | 25.09
+Output  | 2.0027e-05 | 2.6524e-05 | 4.53e-05   |   0.0 |  0.63
+Modify  | 0.00014782 | 0.00015038 | 0.00015473 |   0.0 |  3.57
+Other   |            | 0.0001471  |            |       |  3.50
 
 Nlocal:    1000 ave 1013 max 987 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
diff --git a/examples/python/log.4May17.pair_python_coulomb.1 b/examples/python/log.4May17.pair_python_coulomb.1
deleted file mode 100644
index 97826eda47..0000000000
--- a/examples/python/log.4May17.pair_python_coulomb.1
+++ /dev/null
@@ -1,178 +0,0 @@
-LAMMPS (4 May 2017)
-  using 1 OpenMP thread(s) per MPI task
-units		real
-atom_style	full
-
-read_data	data.spce
-  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  2 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  3000 bonds
-  reading angles ...
-  1500 angles
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-
-pair_style	hybrid/overlay python 12.0 coul/long 12.0
-kspace_style	pppm 1.0e-6
-
-pair_coeff	* * coul/long
-pair_coeff	* * python potentials.LJCutSPCE OW NULL
-
-pair_modify     table 0
-
-bond_style	harmonic
-angle_style	harmonic
-dihedral_style	none
-improper_style	none
-
-bond_coeff	1 1000.00 1.000
-angle_coeff	1 100.0 109.47
-
-special_bonds   lj/coul 0.0 0.0 1.0
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  2 = max # of special neighbors
-
-neighbor        2.0 bin
-
-fix		1 all shake 0.0001 20 0 b 1 a 1
-  0 = # of size 2 clusters
-  0 = # of size 3 clusters
-  0 = # of size 4 clusters
-  1500 = # of frozen angles
-fix		2 all nvt temp 300.0 300.0 100.0
-
-# create combined lj/coul table for all atom types
-# generate tabulated potential from python variant
-pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472
-PPPM initialization ...
-WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.279652
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.000394206
-  estimated relative force accuracy = 1.18714e-06
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair python, perpetual, skip from (2)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (2) pair coul/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236
-PPPM initialization ...
-WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.279652
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.000394206
-  estimated relative force accuracy = 1.18714e-06
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236
-PPPM initialization ...
-WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.279652
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.000394206
-  estimated relative force accuracy = 1.18714e-06
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-
-# switch to tabulated potential
-pair_style      table linear 2000 pppm
-pair_coeff      1 1 spce.table OW-OW
-pair_coeff      1 2 spce.table OW-HW
-pair_coeff      2 2 spce.table HW-HW
-
-thermo 10
-run 100
-PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.279652
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.000394674
-  estimated relative force accuracy = 1.18855e-06
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair table, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 35.26 | 35.26 | 35.26 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -100272.97            0   -100272.97   -1282.0708 
-      10    120.61568   -101350.63            0   -100272.39   -4077.5051 
-      20    136.11379   -101465.43            0   -100248.65   -5136.5677 
-      30    137.01602    -101455.3            0   -100230.46   -5347.8311 
-      40      153.424   -101582.46            0   -100210.93   -5223.1676 
-      50    167.73654   -101686.24            0   -100186.77   -4468.6687 
-      60    163.11642   -101618.16            0   -100159.99   -3291.7815 
-      70    169.64512   -101647.89            0   -100131.35    -2611.638 
-      80     182.9979   -101737.01            0   -100101.11   -2390.6293 
-      90    191.33873   -101778.71            0   -100068.24    -2239.386 
-     100     194.7458   -101775.84            0   -100034.92   -1951.9128 
-Loop time of 7.60221 on 1 procs for 100 steps with 4500 atoms
-
-Performance: 1.137 ns/day, 21.117 hours/ns, 13.154 timesteps/s
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 5.7401     | 5.7401     | 5.7401     |   0.0 | 75.51
-Bond    | 0.00017881 | 0.00017881 | 0.00017881 |   0.0 |  0.00
-Kspace  | 1.5387     | 1.5387     | 1.5387     |   0.0 | 20.24
-Neigh   | 0.2299     | 0.2299     | 0.2299     |   0.0 |  3.02
-Comm    | 0.024311   | 0.024311   | 0.024311   |   0.0 |  0.32
-Output  | 0.00057936 | 0.00057936 | 0.00057936 |   0.0 |  0.01
-Modify  | 0.063158   | 0.063158   | 0.063158   |   0.0 |  0.83
-Other   |            | 0.005243   |            |       |  0.07
-
-Nlocal:    4500 ave 4500 max 4500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    21216 ave 21216 max 21216 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2.60177e+06 ave 2.60177e+06 max 2.60177e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2601766
-Ave neighs/atom = 578.17
-Ave special neighs/atom = 2
-Neighbor list builds = 3
-Dangerous builds = 0
-
-shell rm spce.table
-
-Total wall time: 0:00:07
diff --git a/examples/python/log.4May17.pair_python_coulomb.g++.1 b/examples/python/log.4May17.pair_python_coulomb.g++.1
deleted file mode 100644
index b08d4b939c..0000000000
--- a/examples/python/log.4May17.pair_python_coulomb.g++.1
+++ /dev/null
@@ -1,138 +0,0 @@
-LAMMPS (4 May 2017)
-  using 1 OpenMP thread(s) per MPI task
-units		real
-atom_style	full
-
-read_data	data.spce
-  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  2 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  3000 bonds
-  reading angles ...
-  1500 angles
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-
-pair_style	hybrid/overlay coul/cut 12.0 python 12.0
-
-pair_coeff	* * coul/cut
-pair_coeff	* * python py_pot.LJCutSPCE OW NULL
-
-bond_style	harmonic
-angle_style	harmonic
-dihedral_style	none
-improper_style	none
-
-bond_coeff	1 1000.00 1.000
-angle_coeff	1 100.0 109.47
-
-special_bonds   lj/coul 0.0 0.0 1.0
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  2 = max # of special neighbors
-
-neighbor        2.0 bin
-
-fix		1 all shake 0.0001 20 0 b 1 a 1
-  0 = # of size 2 clusters
-  0 = # of size 3 clusters
-  0 = # of size 4 clusters
-  1500 = # of frozen angles
-fix		2 all nvt temp 300.0 300.0 100.0
-
-# create combined lj/coul table for all atom types
-# generate tabulated potential from python variant
-pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair coul/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-  (2) pair python, perpetual, skip from (1)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236
-pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236
-
-# switch to tabulated potential
-pair_style      table linear 2000 pppm
-pair_coeff      1 1 spce.table OW-OW
-pair_coeff      1 2 spce.table OW-HW
-pair_coeff      2 2 spce.table HW-HW
-
-thermo 10
-run 100
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair table, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 25.08 | 25.08 | 25.08 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -18284.922            0   -18284.922   -2080.7739 
-      10    146.83806   -19552.072            0   -18239.421     -4865.31 
-      20    183.15761   -18706.872            0   -17069.543   -4865.6695 
-      30    205.96203   -18901.541            0   -17060.354   -4454.8634 
-      40    241.62768   -18323.117            0   -16163.099   -3269.1475 
-      50    265.98384   -19883.562            0   -17505.813   -2788.5194 
-      60    274.01897   -21320.575            0   -18870.996   -2387.0708 
-      70     288.7601   -19849.269            0   -17267.913    -1235.818 
-      80    300.64724   -20958.602            0   -18270.981   -1714.7988 
-      90    304.19113     -21580.4            0   -18861.099   -2144.1614 
-     100    304.22027   -21239.014            0   -18519.452   -2092.6759 
-Loop time of 6.01861 on 1 procs for 100 steps with 4500 atoms
-
-Performance: 1.436 ns/day, 16.718 hours/ns, 16.615 timesteps/s
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 5.698      | 5.698      | 5.698      |   0.0 | 94.67
-Bond    | 0.0001626  | 0.0001626  | 0.0001626  |   0.0 |  0.00
-Neigh   | 0.23235    | 0.23235    | 0.23235    |   0.0 |  3.86
-Comm    | 0.018961   | 0.018961   | 0.018961   |   0.0 |  0.32
-Output  | 0.00058126 | 0.00058126 | 0.00058126 |   0.0 |  0.01
-Modify  | 0.063452   | 0.063452   | 0.063452   |   0.0 |  1.05
-Other   |            | 0.005146   |            |       |  0.09
-
-Nlocal:    4500 ave 4500 max 4500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    21285 ave 21285 max 21285 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2.59766e+06 ave 2.59766e+06 max 2.59766e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2597662
-Ave neighs/atom = 577.258
-Ave special neighs/atom = 2
-Neighbor list builds = 3
-Dangerous builds = 0
-
-shell rm spce.table
-
-Total wall time: 0:00:06
diff --git a/examples/python/log.4May17.pair_python_coulomb.g++.4 b/examples/python/log.4May17.pair_python_coulomb.g++.4
deleted file mode 100644
index b002d5c1ab..0000000000
--- a/examples/python/log.4May17.pair_python_coulomb.g++.4
+++ /dev/null
@@ -1,138 +0,0 @@
-LAMMPS (4 May 2017)
-  using 1 OpenMP thread(s) per MPI task
-units		real
-atom_style	full
-
-read_data	data.spce
-  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  2 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  3000 bonds
-  reading angles ...
-  1500 angles
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-
-pair_style	hybrid/overlay coul/cut 12.0 python 12.0
-
-pair_coeff	* * coul/cut
-pair_coeff	* * python py_pot.LJCutSPCE OW NULL
-
-bond_style	harmonic
-angle_style	harmonic
-dihedral_style	none
-improper_style	none
-
-bond_coeff	1 1000.00 1.000
-angle_coeff	1 100.0 109.47
-
-special_bonds   lj/coul 0.0 0.0 1.0
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  2 = max # of special neighbors
-
-neighbor        2.0 bin
-
-fix		1 all shake 0.0001 20 0 b 1 a 1
-  0 = # of size 2 clusters
-  0 = # of size 3 clusters
-  0 = # of size 4 clusters
-  1500 = # of frozen angles
-fix		2 all nvt temp 300.0 300.0 100.0
-
-# create combined lj/coul table for all atom types
-# generate tabulated potential from python variant
-pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair coul/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-  (2) pair python, perpetual, skip from (1)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236
-pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236
-
-# switch to tabulated potential
-pair_style      table linear 2000 pppm
-pair_coeff      1 1 spce.table OW-OW
-pair_coeff      1 2 spce.table OW-HW
-pair_coeff      2 2 spce.table HW-HW
-
-thermo 10
-run 100
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7, bins = 6 6 6
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair table, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 9.962 | 9.963 | 9.963 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -18284.922            0   -18284.922   -2080.7739 
-      10    146.83806   -19552.072            0   -18239.421     -4865.31 
-      20    183.15761   -18706.872            0   -17069.543   -4865.6695 
-      30    205.96203   -18901.541            0   -17060.354   -4454.8634 
-      40    241.62768   -18323.117            0   -16163.099   -3269.1475 
-      50    265.98384   -19883.562            0   -17505.813   -2788.5194 
-      60    274.01897   -21320.575            0   -18870.996   -2387.0708 
-      70     288.7601   -19849.269            0   -17267.913    -1235.818 
-      80    300.64724   -20958.602            0   -18270.981   -1714.7988 
-      90    304.19113     -21580.4            0   -18861.099   -2144.1614 
-     100    304.22027   -21239.014            0   -18519.452   -2092.6759 
-Loop time of 1.7361 on 4 procs for 100 steps with 4500 atoms
-
-Performance: 4.977 ns/day, 4.823 hours/ns, 57.600 timesteps/s
-99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.4424     | 1.5149     | 1.6066     |   5.3 | 87.26
-Bond    | 8.9407e-05 | 0.00010258 | 0.00012374 |   0.0 |  0.01
-Neigh   | 0.064205   | 0.064241   | 0.064295   |   0.0 |  3.70
-Comm    | 0.023643   | 0.1155     | 0.18821    |  19.2 |  6.65
-Output  | 0.00038004 | 0.00042355 | 0.00054145 |   0.0 |  0.02
-Modify  | 0.037507   | 0.037787   | 0.038042   |   0.1 |  2.18
-Other   |            | 0.003148   |            |       |  0.18
-
-Nlocal:    1125 ave 1162 max 1098 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-Nghost:    12267.8 ave 12302 max 12238 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    649416 ave 681458 max 630541 min
-Histogram: 1 0 2 0 0 0 0 0 0 1
-
-Total # of neighbors = 2597662
-Ave neighs/atom = 577.258
-Ave special neighs/atom = 2
-Neighbor list builds = 3
-Dangerous builds = 0
-
-shell rm spce.table
-
-Total wall time: 0:00:01

From 4b8c6d40e2e857330eaafe6d825e9df29e234780 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 15:15:14 -0500
Subject: [PATCH 232/273] update log files for qeq and rdf-adf examples

---
 examples/qeq/ffield.reax.cho                  |   0
 ....buck.g++.1 => log.27Nov18.qeq.buck.g++.1} |  62 +++---
 ....buck.g++.4 => log.27Nov18.qeq.buck.g++.4} |  62 +++---
 ...eaxc.g++.1 => log.27Nov18.qeq.reaxc.g++.1} |  35 +--
 ...eaxc.g++.4 => log.27Nov18.qeq.reaxc.g++.4} |  35 +--
 ...2018.spce.g++.2 => log.27Nov18.spce.g++.1} | 131 +++++------
 examples/rdf-adf/log.27Nov18.spce.g++.4       | 203 ++++++++++++++++++
 7 files changed, 389 insertions(+), 139 deletions(-)
 mode change 100755 => 100644 examples/qeq/ffield.reax.cho
 rename examples/qeq/{log.5Oct16.qeq.buck.g++.1 => log.27Nov18.qeq.buck.g++.1} (60%)
 rename examples/qeq/{log.5Oct16.qeq.buck.g++.4 => log.27Nov18.qeq.buck.g++.4} (57%)
 rename examples/qeq/{log.5Oct16.qeq.reaxc.g++.1 => log.27Nov18.qeq.reaxc.g++.1} (76%)
 rename examples/qeq/{log.5Oct16.qeq.reaxc.g++.4 => log.27Nov18.qeq.reaxc.g++.4} (76%)
 rename examples/rdf-adf/{log.10Oct2018.spce.g++.2 => log.27Nov18.spce.g++.1} (52%)
 create mode 100644 examples/rdf-adf/log.27Nov18.spce.g++.4

diff --git a/examples/qeq/ffield.reax.cho b/examples/qeq/ffield.reax.cho
old mode 100755
new mode 100644
diff --git a/examples/qeq/log.5Oct16.qeq.buck.g++.1 b/examples/qeq/log.27Nov18.qeq.buck.g++.1
similarity index 60%
rename from examples/qeq/log.5Oct16.qeq.buck.g++.1
rename to examples/qeq/log.27Nov18.qeq.buck.g++.1
index 2dbd6674ae..4d5225ccc3 100644
--- a/examples/qeq/log.5Oct16.qeq.buck.g++.1
+++ b/examples/qeq/log.27Nov18.qeq.buck.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # This example demonstrates the use of various fix qeq variants with
 #   that defines and uses charges, in this case pair_style buck/coul/long
 
@@ -14,6 +15,7 @@ replicate  	2 2 2
   orthogonal box = (0 0 0) to (50.3166 50.3166 56.0405)
   1 by 1 by 1 MPI processor grid
   9600 atoms
+  Time spent = 0.00114894 secs
 
 pair_style 	buck/coul/long 12.0
 pair_coeff 	2 2 1388.77 .3623188 175.0
@@ -50,47 +52,57 @@ fix        	2 all qeq/fire     1 10 1.0e-4 100 param.qeq2
 
 run  		100
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.305064
   estimated absolute RMS force accuracy = 2.07629e-05
   estimated relative force accuracy = 1.44191e-06
   KSpace vectors: actual max1d max3d = 13556 20 34460
                   kxmax kymax kzmax  = 18 18 20
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 8 8 9
-Memory usage per processor = 110.875 Mbytes
+  binsize = 6.5, bins = 8 8 9
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair buck/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix qeq/fire, perpetual, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 134 | 134 | 134 Mbytes
 Step PotEng c_q1 c_q2 v_qtot S/CPU 
        0   -27457.219   0.85227886  -0.42613943 -2.1827873e-10            0 
-      10   -27626.057   0.85486228  -0.42743114 -2.0372681e-10   0.64960264 
-      20   -27975.085   0.85968531  -0.42984266 -8.8220986e-11   0.55300005 
-      30   -28552.628   0.86755661   -0.4337783 1.4142643e-10   0.52434987 
-      40   -29133.643   0.87426387  -0.43713193 1.6871127e-10   0.52326849 
-      50   -29697.011    0.8794039  -0.43970195 1.2460077e-10   0.52083626 
-      60   -30342.001   0.88478594  -0.44239297 -4.3655746e-11   0.52824882 
-      70   -31081.138    0.8906973  -0.44534865 -4.7293724e-11   0.56010601 
-      80   -31792.732   0.89506635  -0.44753317 -3.774403e-11   0.60040973 
-      90   -32424.749   0.89714841  -0.44857421 -1.0004442e-10   0.57758717 
-     100   -32998.353   0.89755721  -0.44877861 -1.0231815e-10   0.59560798 
-Loop time of 178.401 on 1 procs for 100 steps with 9600 atoms
+      10   -27626.057   0.85486228  -0.42743114 -2.0372681e-10   0.64313877 
+      20   -27975.085   0.85968531  -0.42984266 -1.036824e-10   0.55119179 
+      30   -28552.628   0.86755661   -0.4337783 1.3051249e-10   0.53160643 
+      40   -29133.643   0.87426387  -0.43713193 1.1368684e-10   0.53075341 
+      50   -29697.011    0.8794039  -0.43970195 1.200533e-10   0.52358127 
+      60   -30342.001   0.88478594  -0.44239297 6.002665e-11    0.5366762 
+      70   -31081.138    0.8906973  -0.44534865 -4.7293724e-11   0.55904546 
+      80   -31792.732   0.89506635  -0.44753317 -4.3200998e-11   0.59606079 
+      90   -32424.749   0.89714841  -0.44857421 -1.1596057e-10   0.58047419 
+     100   -32998.353   0.89755721  -0.44877861 -1.0231815e-10   0.59444001 
+Loop time of 177.79 on 1 procs for 100 steps with 9600 atoms
 
-Performance: 0.005 ns/day, 4955.597 hours/ns, 0.561 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.005 ns/day, 4938.612 hours/ns, 0.562 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 15.042     | 15.042     | 15.042     |   0.0 |  8.43
-Kspace  | 98.245     | 98.245     | 98.245     |   0.0 | 55.07
+Pair    | 11.518     | 11.518     | 11.518     |   0.0 |  6.48
+Kspace  | 107.37     | 107.37     | 107.37     |   0.0 | 60.39
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.019511   | 0.019511   | 0.019511   |   0.0 |  0.01
-Output  | 0.0020375  | 0.0020375  | 0.0020375  |   0.0 |  0.00
-Modify  | 65.083     | 65.083     | 65.083     |   0.0 | 36.48
-Other   |            | 0.009152   |            |       |  0.01
+Comm    | 0.019721   | 0.019721   | 0.019721   |   0.0 |  0.01
+Output  | 0.002218   | 0.002218   | 0.002218   |   0.0 |  0.00
+Modify  | 58.869     | 58.869     | 58.869     |   0.0 | 33.11
+Other   |            | 0.007197   |            |       |  0.00
 
 Nlocal:    9600 ave 9600 max 9600 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -103,4 +115,4 @@ Total # of neighbors = 2940800
 Ave neighs/atom = 306.333
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:03:02
+Total wall time: 0:03:01
diff --git a/examples/qeq/log.5Oct16.qeq.buck.g++.4 b/examples/qeq/log.27Nov18.qeq.buck.g++.4
similarity index 57%
rename from examples/qeq/log.5Oct16.qeq.buck.g++.4
rename to examples/qeq/log.27Nov18.qeq.buck.g++.4
index 0f628740bd..947c3caeaf 100644
--- a/examples/qeq/log.5Oct16.qeq.buck.g++.4
+++ b/examples/qeq/log.27Nov18.qeq.buck.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # This example demonstrates the use of various fix qeq variants with
 #   that defines and uses charges, in this case pair_style buck/coul/long
 
@@ -14,6 +15,7 @@ replicate  	2 2 2
   orthogonal box = (0 0 0) to (50.3166 50.3166 56.0405)
   1 by 2 by 2 MPI processor grid
   9600 atoms
+  Time spent = 0.000675201 secs
 
 pair_style 	buck/coul/long 12.0
 pair_coeff 	2 2 1388.77 .3623188 175.0
@@ -50,47 +52,57 @@ fix        	2 all qeq/fire     1 10 1.0e-4 100 param.qeq2
 
 run  		100
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.305064
   estimated absolute RMS force accuracy = 2.07629e-05
   estimated relative force accuracy = 1.44191e-06
   KSpace vectors: actual max1d max3d = 13556 20 34460
                   kxmax kymax kzmax  = 18 18 20
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 8 8 9
-Memory usage per processor = 46.867 Mbytes
+  binsize = 6.5, bins = 8 8 9
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair buck/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) fix qeq/fire, perpetual, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 53.06 | 53.13 | 53.21 Mbytes
 Step PotEng c_q1 c_q2 v_qtot S/CPU 
        0   -27457.215   0.85227886  -0.42613943 2.1373125e-11            0 
-      10   -27626.057   0.85486228  -0.42743114 3.0468073e-11     2.561772 
-      20   -27975.085   0.85968531  -0.42984266 9.777068e-11    2.1470405 
-      30   -28552.627   0.86755661   -0.4337783 1.2823875e-10    2.0585052 
-      40   -29133.643   0.87426387  -0.43713193 1.5506885e-10    2.0319632 
-      50    -29697.01    0.8794039  -0.43970195 2.1873348e-10    2.0350244 
-      60       -30342   0.88478594  -0.44239297 1.891749e-10    2.0793976 
-      70   -31081.139   0.89069733  -0.44534866 1.4688339e-10    2.1759002 
-      80   -31792.732   0.89506635  -0.44753317 1.4142643e-10    2.3320978 
-      90   -32424.752   0.89714841  -0.44857421 9.9134922e-11    2.2673305 
-     100   -32998.353   0.89755721  -0.44877861 1.5097612e-10    2.3389389 
-Loop time of 45.6331 on 4 procs for 100 steps with 9600 atoms
+      10   -27626.057   0.85486228  -0.42743114 3.0468073e-11    2.4245312 
+      20   -27975.085   0.85968531  -0.42984266 1.0095391e-10    2.0185316 
+      30   -28552.627   0.86755661   -0.4337783 1.3096724e-10    1.9605335 
+      40   -29133.643   0.87426387  -0.43713193 1.5279511e-10    1.9624139 
+      50    -29697.01    0.8794039  -0.43970195 1.6461854e-10    1.8113263 
+      60       -30342   0.88478594  -0.44239297 1.7826096e-10    1.9537722 
+      70   -31081.139   0.89069733  -0.44534866 1.4733814e-10     2.058406 
+      80   -31792.732   0.89506635  -0.44753317 1.3824319e-10    2.2160813 
+      90   -32424.752   0.89714841  -0.44857421 1.2914825e-10    2.0952145 
+     100   -32998.353   0.89755721  -0.44877861 1.4824764e-10    2.1292486 
+Loop time of 48.7541 on 4 procs for 100 steps with 9600 atoms
 
-Performance: 0.019 ns/day, 1267.586 hours/ns, 2.191 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.018 ns/day, 1354.281 hours/ns, 2.051 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.8297     | 3.8983     | 3.938      |   2.1 |  8.54
-Kspace  | 24.434     | 24.579     | 24.78      |   2.9 | 53.86
+Pair    | 2.9747     | 3.0315     | 3.0758     |   2.1 |  6.22
+Kspace  | 27.873     | 28.264     | 28.63      |   5.3 | 57.97
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.078239   | 0.31795    | 0.53069    |  30.8 |  0.70
-Output  | 0.00097322 | 0.0010365  | 0.0011294  |   0.2 |  0.00
-Modify  | 16.831     | 16.832     | 16.832     |   0.0 | 36.88
-Other   |            | 0.005259   |            |       |  0.01
+Comm    | 0.53835    | 0.8523     | 1.2286     |  28.2 |  1.75
+Output  | 0.0012984  | 0.001591   | 0.0024178  |   1.2 |  0.00
+Modify  | 16.58      | 16.59      | 16.601     |   0.3 | 34.03
+Other   |            | 0.01409    |            |       |  0.03
 
 Nlocal:    2400 ave 2400 max 2400 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -103,4 +115,4 @@ Total # of neighbors = 2940800
 Ave neighs/atom = 306.333
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:46
+Total wall time: 0:00:49
diff --git a/examples/qeq/log.5Oct16.qeq.reaxc.g++.1 b/examples/qeq/log.27Nov18.qeq.reaxc.g++.1
similarity index 76%
rename from examples/qeq/log.5Oct16.qeq.reaxc.g++.1
rename to examples/qeq/log.27Nov18.qeq.reaxc.g++.1
index 493b4b62d8..c88acc39f2 100644
--- a/examples/qeq/log.5Oct16.qeq.reaxc.g++.1
+++ b/examples/qeq/log.27Nov18.qeq.reaxc.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # This example demonstrates the use of various fix qeq variants with pair reax/c
 # You can comment in/out various versions below
 #
@@ -54,13 +55,23 @@ timestep	0.25
 
 run		10
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 11
   ghost atom cutoff = 11
-  binsize = 5.5 -> bins = 5 5 5
-Memory usage per processor = 15.8004 Mbytes
+  binsize = 5.5, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair reax/c, perpetual
+      attributes: half, newton off, ghost
+      pair build: half/bin/newtoff/ghost
+      stencil: half/ghost/bin/3d/newtoff
+      bin: standard
+  (2) fix qeq/reax, perpetual, copy from (1)
+      attributes: half, newton off, ghost
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 16.65 | 16.65 | 16.65 Mbytes
 Step PotEng c_q1 c_q2 c_q3 v_qtot 
        0   -10226.557  0.095634063  -0.15658793 -0.091167279 4.4408921e-16 
        1   -10225.799  0.095649584   -0.1566219 -0.091171371 7.1054274e-15 
@@ -73,20 +84,20 @@ Step PotEng c_q1 c_q2 c_q3 v_qtot
        8   -10194.646  0.095767243  -0.15689184 -0.091186932 -2.4424907e-15 
        9   -10190.016  0.095760528  -0.15687664 -0.091185782 -4.4408921e-16 
       10   -10186.168  0.095748006  -0.15684815  -0.09118383 1.110223e-15 
-Loop time of 0.0398569 on 1 procs for 10 steps with 105 atoms
+Loop time of 0.0322483 on 1 procs for 10 steps with 105 atoms
 
-Performance: 5.419 ns/day, 4.429 hours/ns, 250.898 timesteps/s
-100.3% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 6.698 ns/day, 3.583 hours/ns, 310.094 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.034917   | 0.034917   | 0.034917   |   0.0 | 87.61
+Pair    | 0.026229   | 0.026229   | 0.026229   |   0.0 | 81.34
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 3.2663e-05 | 3.2663e-05 | 3.2663e-05 |   0.0 |  0.08
-Output  | 0.00016952 | 0.00016952 | 0.00016952 |   0.0 |  0.43
-Modify  | 0.0047123  | 0.0047123  | 0.0047123  |   0.0 | 11.82
-Other   |            | 2.527e-05  |            |       |  0.06
+Comm    | 5.2214e-05 | 5.2214e-05 | 5.2214e-05 |   0.0 |  0.16
+Output  | 0.00027299 | 0.00027299 | 0.00027299 |   0.0 |  0.85
+Modify  | 0.0056667  | 0.0056667  | 0.0056667  |   0.0 | 17.57
+Other   |            | 2.694e-05  |            |       |  0.08
 
 Nlocal:    105 ave 105 max 105 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/qeq/log.5Oct16.qeq.reaxc.g++.4 b/examples/qeq/log.27Nov18.qeq.reaxc.g++.4
similarity index 76%
rename from examples/qeq/log.5Oct16.qeq.reaxc.g++.4
rename to examples/qeq/log.27Nov18.qeq.reaxc.g++.4
index 834c8170c8..c54a99577e 100644
--- a/examples/qeq/log.5Oct16.qeq.reaxc.g++.4
+++ b/examples/qeq/log.27Nov18.qeq.reaxc.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # This example demonstrates the use of various fix qeq variants with pair reax/c
 # You can comment in/out various versions below
 #
@@ -54,13 +55,23 @@ timestep	0.25
 
 run		10
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 11
   ghost atom cutoff = 11
-  binsize = 5.5 -> bins = 5 5 5
-Memory usage per processor = 11.6046 Mbytes
+  binsize = 5.5, bins = 5 5 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair reax/c, perpetual
+      attributes: half, newton off, ghost
+      pair build: half/bin/newtoff/ghost
+      stencil: half/ghost/bin/3d/newtoff
+      bin: standard
+  (2) fix qeq/reax, perpetual, copy from (1)
+      attributes: half, newton off, ghost
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 10.83 | 11.69 | 12.52 Mbytes
 Step PotEng c_q1 c_q2 c_q3 v_qtot 
        0   -10226.557  0.095633919  -0.15658765 -0.091167194 1.7763568e-15 
        1   -10225.799    0.0956503  -0.15662357  -0.09117143 2.8865799e-15 
@@ -73,20 +84,20 @@ Step PotEng c_q1 c_q2 c_q3 v_qtot
        8   -10194.646  0.095766449  -0.15689014 -0.091186673 -4.4408921e-16 
        9   -10190.016  0.095761078  -0.15687818  -0.09118551 -4.4408921e-16 
       10   -10186.168  0.095747223  -0.15684634 -0.091183742            0 
-Loop time of 0.0217528 on 4 procs for 10 steps with 105 atoms
+Loop time of 0.0185181 on 4 procs for 10 steps with 105 atoms
 
-Performance: 9.930 ns/day, 2.417 hours/ns, 459.710 timesteps/s
-93.1% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 11.664 ns/day, 2.058 hours/ns, 540.011 timesteps/s
+92.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.012203   | 0.014022   | 0.015427   |   1.0 | 64.46
+Pair    | 0.0097179  | 0.01078    | 0.012052   |   0.8 | 58.21
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00011754 | 0.0015323  | 0.0033445  |   3.0 |  7.04
-Output  | 0.00041366 | 0.00044626 | 0.00048447 |   0.1 |  2.05
-Modify  | 0.0056725  | 0.0056758  | 0.0056815  |   0.0 | 26.09
-Other   |            | 7.629e-05  |            |       |  0.35
+Comm    | 0.00041604 | 0.0017492  | 0.0028496  |   2.1 |  9.45
+Output  | 0.00041103 | 0.00046283 | 0.00051498 |   0.0 |  2.50
+Modify  | 0.0051849  | 0.0052357  | 0.0052917  |   0.1 | 28.27
+Other   |            | 0.0002902  |            |       |  1.57
 
 Nlocal:    26.25 ave 35 max 15 min
 Histogram: 1 0 0 1 0 0 0 0 0 2
diff --git a/examples/rdf-adf/log.10Oct2018.spce.g++.2 b/examples/rdf-adf/log.27Nov18.spce.g++.1
similarity index 52%
rename from examples/rdf-adf/log.10Oct2018.spce.g++.2
rename to examples/rdf-adf/log.27Nov18.spce.g++.1
index d19e69a031..70adb9d1c5 100644
--- a/examples/rdf-adf/log.10Oct2018.spce.g++.2
+++ b/examples/rdf-adf/log.27Nov18.spce.g++.1
@@ -1,12 +1,13 @@
-LAMMPS (10 Oct 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
+# Liquid water RDFs and ADFs (~12 O-O-O/atom, ~1 O-H...O/atom)
+
 units		real
 atom_style	full
 
 read_data	data.spce
   orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
-  1 by 2 by 1 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   4500 atoms
   scanning bonds ...
@@ -65,7 +66,7 @@ PPPM initialization ...
   estimated absolute RMS force accuracy = 0.000394674
   estimated relative force accuracy = 1.18855e-06
   using double precision FFTs
-  3d grid and FFT values/proc = 59643 32000
+  3d grid and FFT values/proc = 103823 64000
 Neighbor list info ...
   update every 1 steps, delay 2 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -78,39 +79,39 @@ Neighbor list info ...
       pair build: half/bin/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 25.06 | 25.25 | 25.44 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 35.36 | 35.36 | 35.36 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0          300   -16692.369            0   -14010.534   -112.83562 
-     100    283.44729   -17008.717            0   -14474.854   -162.06374 
-     200    298.75279   -16765.544            0   -14094.858    428.79127 
-     300     296.6501   -16589.155            0   -13937.267    547.40768 
-     400    303.83151   -16625.028            0   -13908.942     237.9775 
-     500    298.01615   -16717.015            0   -14052.915     230.7095 
-Loop time of 21.4041 on 2 procs for 500 steps with 4500 atoms
+     100    283.44729   -17008.717            0   -14474.854   -162.06378 
+     200    298.75279   -16765.543            0   -14094.858     428.7917 
+     300    296.65014   -16589.155            0   -13937.267    547.40796 
+     400    303.82963   -16625.011            0   -13908.942    237.93694 
+     500    298.00057   -16716.887            0   -14052.926    231.55014 
+Loop time of 38.2796 on 1 procs for 500 steps with 4500 atoms
 
-Performance: 4.037 ns/day, 5.946 hours/ns, 23.360 timesteps/s
-94.8% CPU use with 2 MPI tasks x 1 OpenMP threads
+Performance: 2.257 ns/day, 10.633 hours/ns, 13.062 timesteps/s
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 14.892     | 15.034     | 15.176     |   3.7 | 70.24
-Bond    | 0.00056624 | 0.00059342 | 0.0006206  |   0.0 |  0.00
-Kspace  | 3.987      | 4.1321     | 4.2773     |   7.1 | 19.31
-Neigh   | 1.7494     | 1.7496     | 1.7497     |   0.0 |  8.17
-Comm    | 0.20554    | 0.20637    | 0.2072     |   0.2 |  0.96
-Output  | 0.00015688 | 0.00036144 | 0.00056601 |   0.0 |  0.00
-Modify  | 0.25707    | 0.2606     | 0.26413    |   0.7 |  1.22
-Other   |            | 0.02059    |            |       |  0.10
+Pair    | 28.428     | 28.428     | 28.428     |   0.0 | 74.26
+Bond    | 0.00056672 | 0.00056672 | 0.00056672 |   0.0 |  0.00
+Kspace  | 5.3161     | 5.3161     | 5.3161     |   0.0 | 13.89
+Neigh   | 4.1185     | 4.1185     | 4.1185     |   0.0 | 10.76
+Comm    | 0.12788    | 0.12788    | 0.12788    |   0.0 |  0.33
+Output  | 0.00021887 | 0.00021887 | 0.00021887 |   0.0 |  0.00
+Modify  | 0.26748    | 0.26748    | 0.26748    |   0.0 |  0.70
+Other   |            | 0.02102    |            |       |  0.05
 
-Nlocal:    2250 ave 2258 max 2242 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    16319 ave 16381 max 16257 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    1.30073e+06 ave 1.32386e+06 max 1.2776e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    4500 ave 4500 max 4500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    21248 ave 21248 max 21248 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.60146e+06 ave 2.60146e+06 max 2.60146e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 2601457
+Total # of neighbors = 2601459
 Ave neighs/atom = 578.102
 Ave special neighs/atom = 2
 Neighbor list builds = 45
@@ -119,7 +120,7 @@ Dangerous builds = 0
 reset_timestep 0
 
 compute gofr all rdf 100  1 1  2 2  1 2  # O-O, H-H, O-H
-compute gofa all adf  45  1 1 1  2.0 3.5  2.0 3.5                           1 2 1  0.0 1.2  1.5 2.5
+compute gofa all adf  45  1 1 1  2.0 3.5  2.0 3.5                           2 1 1  0.0 1.2  1.5 2.5   # O-O-O, O-H...O
 fix rdf all ave/time 100 10 1000 c_gofr[*] file spce-rdf.dat mode vector
 fix adf all ave/time 10 100 1000 c_gofa[*] file spce-adf.dat mode vector
 
@@ -132,7 +133,7 @@ PPPM initialization ...
   estimated absolute RMS force accuracy = 0.000394674
   estimated relative force accuracy = 1.18855e-06
   using double precision FFTs
-  3d grid and FFT values/proc = 59643 32000
+  3d grid and FFT values/proc = 103823 64000
 Neighbor list info ...
   update every 1 steps, delay 2 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -155,48 +156,48 @@ Neighbor list info ...
       pair build: full/bin
       stencil: full/bin/3d
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 26.78 | 26.78 | 26.78 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 36.67 | 36.67 | 36.67 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0    298.01615   -16717.015            0   -14052.915    230.81371 
-     100     307.1766    -16759.33            0   -14013.341     454.2771 
-     200    298.94628   -16674.186            0   -14001.771    114.20846 
-     300    293.13091   -16581.542            0   -13961.113    272.85574 
-     400    294.47017   -16556.872            0   -13924.471     180.3252 
-     500    305.57174   -16647.976            0   -13916.333   -444.14856 
-     600    302.53992   -16670.304            0   -13965.764    114.82353 
-     700    306.56761   -16616.508            0   -13875.962    534.02537 
-     800    299.06297   -16644.133            0   -13970.675    83.643063 
-     900    301.15522   -16674.021            0   -13981.859    325.04538 
-    1000    298.14963   -16701.663            0   -14036.369     356.0601 
-Loop time of 53.3181 on 2 procs for 1000 steps with 4500 atoms
+       0    298.00057   -16716.887            0   -14052.926     231.6595 
+     100    307.31045   -16761.022            0   -14013.835    449.26027 
+     200    299.52847   -16679.165            0   -14001.546    148.44719 
+     300    293.68499   -16583.548            0   -13958.166    140.79069 
+     400    306.76266   -16658.573            0   -13916.284    481.26934 
+     500    294.75648   -16640.446            0   -14005.485    585.05479 
+     600    303.19282   -16629.985            0   -13919.608    328.23667 
+     700    300.28233   -16590.155            0   -13905.797   -176.71076 
+     800    292.36899   -16620.826            0   -14007.208   -194.83408 
+     900    304.92802   -16633.331            0   -13907.443    479.49808 
+    1000    300.64529   -16598.233            0    -13910.63    904.96137 
+Loop time of 107.579 on 1 procs for 1000 steps with 4500 atoms
 
-Performance: 3.241 ns/day, 7.405 hours/ns, 18.755 timesteps/s
-97.3% CPU use with 2 MPI tasks x 1 OpenMP threads
+Performance: 1.606 ns/day, 14.942 hours/ns, 9.295 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 28.831     | 29.365     | 29.899     |   9.9 | 55.07
-Bond    | 0.00097084 | 0.0010794  | 0.001188   |   0.3 |  0.00
-Kspace  | 7.3086     | 7.8356     | 8.3626     |  18.8 | 14.70
-Neigh   | 3.7241     | 3.7245     | 3.7248     |   0.0 |  6.99
-Comm    | 0.32839    | 0.33495    | 0.34151    |   1.1 |  0.63
-Output  | 0.00043344 | 0.0015392  | 0.002645   |   2.8 |  0.00
-Modify  | 12.013     | 12.014     | 12.015     |   0.0 | 22.53
-Other   |            | 0.04153    |            |       |  0.08
+Pair    | 58.928     | 58.928     | 58.928     |   0.0 | 54.78
+Bond    | 0.0012271  | 0.0012271  | 0.0012271  |   0.0 |  0.00
+Kspace  | 10.698     | 10.698     | 10.698     |   0.0 |  9.94
+Neigh   | 8.7649     | 8.7649     | 8.7649     |   0.0 |  8.15
+Comm    | 0.2608     | 0.2608     | 0.2608     |   0.0 |  0.24
+Output  | 0.00043702 | 0.00043702 | 0.00043702 |   0.0 |  0.00
+Modify  | 28.883     | 28.883     | 28.883     |   0.0 | 26.85
+Other   |            | 0.04301    |            |       |  0.04
 
-Nlocal:    2250 ave 2251 max 2249 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    16300 ave 16358 max 16242 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    1.301e+06 ave 1.31594e+06 max 1.28606e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-FullNghs:  2.602e+06 ave 2.60923e+06 max 2.59476e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    4500 ave 4500 max 4500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    21275 ave 21275 max 21275 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.60217e+06 ave 2.60217e+06 max 2.60217e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  5.20478e+06 ave 5.20478e+06 max 5.20478e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 5203998
-Ave neighs/atom = 1156.44
+Total # of neighbors = 5204784
+Ave neighs/atom = 1156.62
 Ave special neighs/atom = 2
-Neighbor list builds = 93
+Neighbor list builds = 94
 Dangerous builds = 0
-Total wall time: 0:01:14
+Total wall time: 0:02:26
diff --git a/examples/rdf-adf/log.27Nov18.spce.g++.4 b/examples/rdf-adf/log.27Nov18.spce.g++.4
new file mode 100644
index 0000000000..4fa0369e19
--- /dev/null
+++ b/examples/rdf-adf/log.27Nov18.spce.g++.4
@@ -0,0 +1,203 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Liquid water RDFs and ADFs (~12 O-O-O/atom, ~1 O-H...O/atom)
+
+units		real
+atom_style	full
+
+read_data	data.spce
+  orthogonal box = (0.02645 0.02645 0.02641) to (35.5328 35.5328 35.4736)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  2 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  3000 bonds
+  reading angles ...
+  1500 angles
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+
+pair_style      lj/cut/coul/long 12.0 12.0
+pair_coeff      * * 0.0     1.0
+pair_coeff      1 1 0.15535 3.166
+kspace_style	pppm 1.0e-6
+
+bond_style	harmonic
+angle_style	harmonic
+dihedral_style	none
+improper_style	none
+
+bond_coeff	1 1000.00 1.000
+angle_coeff	1 100.0 109.47
+
+# need to set bond/angle inclusion to > 0.0
+# so that intramolecular pairs are included in neighbor lists (required for second ADF)
+special_bonds   lj/coul 1.0e-100 1.0e-100 1.0
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  2 = max # of special neighbors
+
+neighbor        2.0 bin
+timestep        2.0
+neigh_modify    every 1 delay 2 check yes
+
+fix		1 all shake 0.0001 20 0 b 1 a 1
+  0 = # of size 2 clusters
+  0 = # of size 3 clusters
+  0 = # of size 4 clusters
+  1500 = # of frozen angles
+fix		2 all nvt temp 300.0 300.0 100.0
+
+velocity all create 300.0 6244325
+
+thermo 100
+run 500
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.279652
+  grid = 40 40 40
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000394674
+  estimated relative force accuracy = 1.18855e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 34263 16000
+Neighbor list info ...
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 13.1 | 13.1 | 13.1 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          300   -16692.369            0   -14010.534   -112.83562 
+     100    283.44729   -17008.717            0   -14474.854   -162.06378 
+     200    298.75279   -16765.543            0   -14094.858    428.79175 
+     300    296.65013   -16589.155            0   -13937.267    547.40809 
+     400    303.82993   -16625.014            0   -13908.942      237.957 
+     500    298.00206   -16716.893            0   -14052.919    231.33112 
+Loop time of 12.5516 on 4 procs for 500 steps with 4500 atoms
+
+Performance: 6.884 ns/day, 3.487 hours/ns, 39.836 timesteps/s
+94.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 7.739      | 7.9051     | 8.2663     |   7.5 | 62.98
+Bond    | 0.00061631 | 0.00064486 | 0.00070524 |   0.0 |  0.01
+Kspace  | 2.7001     | 3.0573     | 3.2239     |  11.9 | 24.36
+Neigh   | 1.1736     | 1.174      | 1.1743     |   0.0 |  9.35
+Comm    | 0.18222    | 0.1869     | 0.19248    |   0.8 |  1.49
+Output  | 0.00017595 | 0.00032246 | 0.00076079 |   0.0 |  0.00
+Modify  | 0.20354    | 0.20467    | 0.20652    |   0.2 |  1.63
+Other   |            | 0.02259    |            |       |  0.18
+
+Nlocal:    1125 ave 1132 max 1114 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+Nghost:    12241 ave 12298 max 12196 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    650366 ave 671163 max 631441 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+
+Total # of neighbors = 2601464
+Ave neighs/atom = 578.103
+Ave special neighs/atom = 2
+Neighbor list builds = 45
+Dangerous builds = 0
+
+reset_timestep 0
+
+compute gofr all rdf 100  1 1  2 2  1 2  # O-O, H-H, O-H
+compute gofa all adf  45  1 1 1  2.0 3.5  2.0 3.5                           2 1 1  0.0 1.2  1.5 2.5   # O-O-O, O-H...O
+fix rdf all ave/time 100 10 1000 c_gofr[*] file spce-rdf.dat mode vector
+fix adf all ave/time 10 100 1000 c_gofa[*] file spce-adf.dat mode vector
+
+run 1000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.279652
+  grid = 40 40 40
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.000394674
+  estimated relative force accuracy = 1.18855e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 34263 16000
+Neighbor list info ...
+  update every 1 steps, delay 2 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 6 6 6
+  3 neighbor lists, perpetual/occasional/extra = 1 2 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) compute rdf, occasional, copy from (1)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) compute adf, occasional
+      attributes: full, newton on
+      pair build: full/bin
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 13.96 | 13.96 | 13.96 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0    298.00206   -16716.893            0   -14052.919    231.44272 
+     100    307.28155   -16760.647            0    -14013.72    452.38436 
+     200    299.05168   -16674.695            0   -14001.338    177.44237 
+     300     292.7564   -16573.946            0   -13956.865    122.27796 
+     400     299.2644   -16578.318            0   -13903.059    482.03304 
+     500    296.04028   -16623.179            0   -13976.742    89.968145 
+     600    300.30911   -16664.206            0   -13979.608    132.70079 
+     700    292.39517   -16703.749            0   -14089.897      825.267 
+     800    298.75851   -16661.684            0   -13990.948    468.68671 
+     900    301.55689   -16644.846            0   -13949.093    -72.16965 
+    1000     298.2852   -16682.077            0   -14015.572   0.69725342 
+Loop time of 32.3106 on 4 procs for 1000 steps with 4500 atoms
+
+Performance: 5.348 ns/day, 4.488 hours/ns, 30.950 timesteps/s
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 15.647     | 15.876     | 16.119     |   4.3 | 49.13
+Bond    | 0.0011718  | 0.0012704  | 0.001348   |   0.2 |  0.00
+Kspace  | 5.286      | 5.5364     | 5.7729     |   7.5 | 17.13
+Neigh   | 2.3892     | 2.3962     | 2.3991     |   0.3 |  7.42
+Comm    | 0.34641    | 0.35514    | 0.35988    |   0.9 |  1.10
+Output  | 0.00047851 | 0.00069892 | 0.0013568  |   0.0 |  0.00
+Modify  | 8.0882     | 8.0963     | 8.1047     |   0.3 | 25.06
+Other   |            | 0.04887    |            |       |  0.15
+
+Nlocal:    1125 ave 1137 max 1114 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Nghost:    12206.2 ave 12239 max 12169 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Neighs:    650464 ave 655962 max 641444 min
+Histogram: 1 0 0 0 0 0 0 2 0 1
+FullNghs:  1.30095e+06 ave 1.31925e+06 max 1.28413e+06 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 5203786
+Ave neighs/atom = 1156.4
+Ave special neighs/atom = 2
+Neighbor list builds = 94
+Dangerous builds = 0
+Total wall time: 0:00:45

From 6705777f7b87310525ff7951d8a4a9218995b381 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 16:34:41 -0500
Subject: [PATCH 233/273] fix memory issue in POEMS library, where auxiliary
 data was cast to a data structure of different (smaller) size when deleting.

this commit adds support to a callback function that allows to delete aux data in the Tree with its native size.
---
 lib/poems/SystemProcessor.h |  6 +++++-
 lib/poems/poemstree.h       | 33 ++++++++++++++++++++++++---------
 2 files changed, 29 insertions(+), 10 deletions(-)

diff --git a/lib/poems/SystemProcessor.h b/lib/poems/SystemProcessor.h
index 9ef511f997..3be168c34d 100644
--- a/lib/poems/SystemProcessor.h
+++ b/lib/poems/SystemProcessor.h
@@ -40,7 +40,9 @@ struct POEMSNode {
 class SystemProcessor{
 private:
 	Tree nodes;
-//	List<POEMSNode> forDeletion;
+	static void POEMSNodeDelete_cb(void *node) {
+		delete (POEMSNode *) node;
+	}
 	List<POEMSChain> headsOfSystems;
 	List<List<int> > ringsInSystem;
 	POEMSNode * findSingleLink(TreeNode * aNode);
@@ -65,6 +67,8 @@ public:
 };
 
 SystemProcessor::SystemProcessor(void){
+  // register callback for deleting auxiliary data from tree nodes.
+  nodes.SetDeleteAuxData(&POEMSNodeDelete_cb);
 }
 
 void SystemProcessor::processArray(int** links, int numLinks)
diff --git a/lib/poems/poemstree.h b/lib/poems/poemstree.h
index 889de313f8..8f8e80ab66 100644
--- a/lib/poems/poemstree.h
+++ b/lib/poems/poemstree.h
@@ -40,6 +40,9 @@ protected:
 	// used by the copy constructor and assignment operator
 	TreeNode *CopyTree(TreeNode *t);
 
+    // callback function to delete aux data
+    void (*DeleteAuxData)(void *);
+
 	// used by insert and delete method to re-establish
 	// the avl conditions after a node is added or deleted
 	// from a subtree
@@ -72,7 +75,13 @@ public:
 
 	// standard list handling methods
 	void * Find(int& item);
-	void * GetAuxData(int item) { return (void *)(FindNode(item, root)->GetAuxData());}
+	void * GetAuxData(int item) {
+      return (void *)(FindNode(item, root)->GetAuxData());
+    }
+    void SetDeleteAuxData(void (*callback)(void *)) {
+      DeleteAuxData = callback;
+    }
+
 	void Insert(const int& item, const int& data, void * AuxData = NULL);
 	void Delete(const int& item);
 	void AVLInsert(TreeNode* &tree, TreeNode* newNode, int &reviseBalanceFactor);	
@@ -90,6 +99,7 @@ Tree::Tree(void)
 	root = 0; 
 	current = 0; 
 	size = 0;
+    DeleteAuxData = NULL;
 }
 
 
@@ -569,14 +579,19 @@ TreeNode *Tree::CopyTree(TreeNode *t)
 // the tree and delete each node as the vist operation
 void Tree::DeleteTree(TreeNode *t)
 {
-	if (t != NULL)
-	{
-		DeleteTree(t->Left());
-		DeleteTree(t->Right());
-		if (t->GetAuxData() != NULL)
-                    delete (TreeNode *) t->GetAuxData();
-		FreeTreeNode(t);
-	}
+  if (t != NULL) {
+    DeleteTree(t->Left());
+    DeleteTree(t->Right());
+    void *aux = t->GetAuxData();
+    if (aux != NULL) {
+      if (DeleteAuxData != NULL) {
+        (*DeleteAuxData)(aux);
+      } else {
+        delete (TreeNode *) aux;
+      }
+    }
+    FreeTreeNode(t);
+  }
 }
 
 // call the function DeleteTree to deallocate the nodes. then

From cda3227b05b12b4001438aeabf0a8b18cdf7deae Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 16:41:11 -0500
Subject: [PATCH 234/273] plug memory leak in poems library

---
 lib/poems/POEMSChain.h | 1 +
 1 file changed, 1 insertion(+)

diff --git a/lib/poems/POEMSChain.h b/lib/poems/POEMSChain.h
index 7dc143a9d9..9f0db59333 100644
--- a/lib/poems/POEMSChain.h
+++ b/lib/poems/POEMSChain.h
@@ -31,6 +31,7 @@ struct POEMSChain{
 		{
 			delete childChains(i);
 		}
+        listOfNodes.DeleteValues();
 	}
 	//void printTreeStructure(int tabs);
 	//void getTreeAsList(List<int> * temp);

From f92e61c58d60372d27ce1f3ef336dc996e701785 Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Thu, 29 Nov 2018 15:37:58 -0700
Subject: [PATCH 235/273] bug-fix for miscounting atoms for read_dump add keep

---
 src/read_dump.cpp | 9 +++++++--
 1 file changed, 7 insertions(+), 2 deletions(-)

diff --git a/src/read_dump.cpp b/src/read_dump.cpp
index 30934f123b..326369c17e 100644
--- a/src/read_dump.cpp
+++ b/src/read_dump.cpp
@@ -480,11 +480,16 @@ void ReadDump::atoms()
     nread += nchunk;
   }
 
+  // if addflag = YESADD or KEEPADD, update total atom count
+
+  if (addflag == YESADD || addflag == KEEPADD) {
+    bigint nblocal = atom->nlocal;
+    MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
+  }
+
   // if addflag = YESADD, assign IDs to new snapshot atoms
 
   if (addflag == YESADD) {
-    bigint nblocal = atom->nlocal;
-    MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
     if (atom->natoms < 0 || atom->natoms >= MAXBIGINT)
       error->all(FLERR,"Too many total atoms");
     if (atom->tag_enable) atom->tag_extend();

From 5d2730f0558490ff9b074042415d61c86f6509c9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 29 Nov 2018 18:22:18 -0500
Subject: [PATCH 236/273] update log files for rigid, shear, snap, srd,
 streitz, threebody, vashsista, and voronoi examples

---
 examples/rdf-adf/spce-adf.dat.ref             |   70 +-
 examples/rdf-adf/spce-rdf.dat.ref             |  176 +-
 examples/rigid/log.20Apr18.rigid.poems.g++.1  |  338 --
 examples/rigid/log.20Apr18.rigid.poems.g++.4  |  338 --
 examples/rigid/log.20Apr18.rigid.poems2.g++.1 |  342 --
 examples/rigid/log.20Apr18.rigid.poems2.g++.4 |  342 --
 examples/rigid/log.20Apr18.rigid.tnr.g++.1    |  458 --
 examples/rigid/log.20Apr18.rigid.tnr.g++.4    |  458 --
 ...g++.4 => log.27Nov18.rigid.atomfile.g++.1} |   62 +-
 ...g++.1 => log.27Nov18.rigid.atomfile.g++.4} |   52 +-
 ....g++.4 => log.27Nov18.rigid.atomvar.g++.1} |   62 +-
 ....g++.1 => log.27Nov18.rigid.atomvar.g++.4} |   52 +-
 ...ly.g++.4 => log.27Nov18.rigid.early.g++.1} |   62 +-
 ...ly.g++.1 => log.27Nov18.rigid.early.g++.4} |   52 +-
 ...18.rigid.g++.4 => log.27Nov18.rigid.g++.1} |   62 +-
 ...18.rigid.g++.1 => log.27Nov18.rigid.g++.4} |   52 +-
 ...++.1 => log.27Nov18.rigid.nve.early.g++.1} |  226 +-
 ...++.4 => log.27Nov18.rigid.nve.early.g++.4} |  222 +-
 ....nve.g++.1 => log.27Nov18.rigid.nve.g++.1} |  226 +-
 ....nve.g++.4 => log.27Nov18.rigid.nve.g++.4} |  222 +-
 examples/rigid/log.27Nov18.rigid.poems.g++.1  |  338 ++
 examples/rigid/log.27Nov18.rigid.poems.g++.4  |  338 ++
 examples/rigid/log.27Nov18.rigid.poems2.g++.1 |  342 ++
 examples/rigid/log.27Nov18.rigid.poems2.g++.4 |  342 ++
 ...g++.4 => log.27Nov18.rigid.property.g++.1} |   62 +-
 ...g++.1 => log.27Nov18.rigid.property.g++.4} |   52 +-
 examples/rigid/log.27Nov18.rigid.tnr.g++.1    |  458 ++
 examples/rigid/log.27Nov18.rigid.tnr.g++.4    |  458 ++
 ...16.shear.g++.1 => log.27Nov18.shear.g++.1} |   57 +-
 ...16.shear.g++.4 => log.27Nov18.shear.g++.4} |   57 +-
 ...oid.g++.1 => log.27Nov18.shear.void.g++.1} |   57 +-
 ...oid.g++.4 => log.27Nov18.shear.void.g++.4} |   59 +-
 ...n.g++.1 => log.27Nov18.snap.Mo_Chen.g++.1} |   21 +-
 ...n.g++.4 => log.27Nov18.snap.Mo_Chen.g++.4} |   23 +-
 ...06A.g++.1 => log.27Nov18.snap.Ta06A.g++.1} |   23 +-
 ...06A.g++.4 => log.27Nov18.snap.Ta06A.g++.4} |   21 +-
 ...40.g++.1 => log.27Nov18.snap.W.2940.g++.1} |   21 +-
 ...40.g++.4 => log.27Nov18.snap.W.2940.g++.4} |   21 +-
 ...og.27Nov18.snap.hybrid.WSNAP.HePair.g++.1} |   29 +-
 ...og.27Nov18.snap.hybrid.WSNAP.HePair.g++.4} |   25 +-
 ...re.g++.1 => log.27Nov18.srd.mixture.g++.1} |   85 +-
 examples/srd/log.27Nov18.srd.mixture.g++.4    |  292 +
 ....pure.g++.1 => log.27Nov18.srd.pure.g++.1} |   31 +-
 ....pure.g++.4 => log.27Nov18.srd.pure.g++.4} |   29 +-
 examples/srd/log.5Oct16.srd.mixture.g++.4     |  269 -
 ....g++.1 => log.27Nov18.streitz.ewald.g++.1} |   68 +-
 ....g++.4 => log.27Nov18.streitz.ewald.g++.4} |   68 +-
 ...f.g++.1 => log.27Nov18.streitz.wolf.g++.1} |   64 +-
 ...f.g++.4 => log.27Nov18.streitz.wolf.g++.4} |   64 +-
 examples/threebody/BNC.tersoff                |   75 +-
 examples/threebody/CdTeZnSeHgS0.sw            |  233 -
 examples/threebody/InP.vashishta              |   39 +-
 examples/threebody/Si.tersoff.mod             |    1 +
 examples/threebody/Si.tersoff.modc            |    1 +
 examples/threebody/in.threebody               |    2 +-
 .../threebody/log.27Nov18.threebody.g++.1     |  524 ++
 .../threebody/log.27Nov18.threebody.g++.4     |  524 ++
 examples/vashishta/InP.vashishta              |   39 +-
 examples/vashishta/SiO.1990.vashishta         |   42 +-
 ....g++.1 => log.27Nov18.vashishta.inp.g++.1} | 1007 ++--
 ....g++.4 => log.27Nov18.vashishta.inp.g++.4} |  987 +--
 ...g++.1 => log.27Nov18.vashishta.sio2.g++.1} |   35 +-
 ...g++.4 => log.27Nov18.vashishta.sio2.g++.4} |   33 +-
 ... => log.27Nov18.vashishta.table.inp.g++.1} | 1011 ++--
 ... => log.27Nov18.vashishta.table.inp.g++.4} | 1011 ++--
 ...=> log.27Nov18.vashishta.table.sio2.g++.1} |   33 +-
 ...=> log.27Nov18.vashishta.table.sio2.g++.4} |   33 +-
 .../log.5Oct16.indiumphosphide.g++.4          |  128 -
 examples/vashishta/log.5Oct16.sio2.g++.4      |   86 -
 .../vashishta/log.5Oct16.vashishta.inp.g++.1  | 5276 -----------------
 .../vashishta/log.5Oct16.vashishta.sio2.g++.1 |   86 -
 ....2d.g++.1 => log.27Nov18.voronoi.2d.g++.1} |   27 +-
 ....2d.g++.4 => log.27Nov18.voronoi.2d.g++.4} |   31 +-
 ...a.g++.1 => log.27Nov18.voronoi.data.g++.1} |   31 +-
 ...a.g++.4 => log.27Nov18.voronoi.data.g++.4} |   31 +-
 ...oronoi.g++.1 => log.27Nov18.voronoi.g++.1} |  172 +-
 ...oronoi.g++.4 => log.27Nov18.voronoi.g++.4} |  176 +-
 77 files changed, 7304 insertions(+), 12018 deletions(-)
 delete mode 100644 examples/rigid/log.20Apr18.rigid.poems.g++.1
 delete mode 100644 examples/rigid/log.20Apr18.rigid.poems.g++.4
 delete mode 100644 examples/rigid/log.20Apr18.rigid.poems2.g++.1
 delete mode 100644 examples/rigid/log.20Apr18.rigid.poems2.g++.4
 delete mode 100644 examples/rigid/log.20Apr18.rigid.tnr.g++.1
 delete mode 100644 examples/rigid/log.20Apr18.rigid.tnr.g++.4
 rename examples/rigid/{log.20Apr18.rigid.atomfile.g++.4 => log.27Nov18.rigid.atomfile.g++.1} (90%)
 rename examples/rigid/{log.20Apr18.rigid.atomfile.g++.1 => log.27Nov18.rigid.atomfile.g++.4} (92%)
 rename examples/rigid/{log.20Apr18.rigid.atomvar.g++.4 => log.27Nov18.rigid.atomvar.g++.1} (90%)
 rename examples/rigid/{log.20Apr18.rigid.atomvar.g++.1 => log.27Nov18.rigid.atomvar.g++.4} (92%)
 rename examples/rigid/{log.20Apr18.rigid.early.g++.4 => log.27Nov18.rigid.early.g++.1} (90%)
 rename examples/rigid/{log.20Apr18.rigid.early.g++.1 => log.27Nov18.rigid.early.g++.4} (92%)
 rename examples/rigid/{log.20Apr18.rigid.g++.4 => log.27Nov18.rigid.g++.1} (90%)
 rename examples/rigid/{log.20Apr18.rigid.g++.1 => log.27Nov18.rigid.g++.4} (92%)
 rename examples/rigid/{log.20Apr18.rigid.nve.early.g++.1 => log.27Nov18.rigid.nve.early.g++.1} (71%)
 rename examples/rigid/{log.20Apr18.rigid.nve.early.g++.4 => log.27Nov18.rigid.nve.early.g++.4} (72%)
 rename examples/rigid/{log.20Apr18.rigid.nve.g++.1 => log.27Nov18.rigid.nve.g++.1} (71%)
 rename examples/rigid/{log.20Apr18.rigid.nve.g++.4 => log.27Nov18.rigid.nve.g++.4} (72%)
 create mode 100644 examples/rigid/log.27Nov18.rigid.poems.g++.1
 create mode 100644 examples/rigid/log.27Nov18.rigid.poems.g++.4
 create mode 100644 examples/rigid/log.27Nov18.rigid.poems2.g++.1
 create mode 100644 examples/rigid/log.27Nov18.rigid.poems2.g++.4
 rename examples/rigid/{log.20Apr18.rigid.property.g++.4 => log.27Nov18.rigid.property.g++.1} (90%)
 rename examples/rigid/{log.20Apr18.rigid.property.g++.1 => log.27Nov18.rigid.property.g++.4} (92%)
 create mode 100644 examples/rigid/log.27Nov18.rigid.tnr.g++.1
 create mode 100644 examples/rigid/log.27Nov18.rigid.tnr.g++.4
 rename examples/shear/{log.5Oct16.shear.g++.1 => log.27Nov18.shear.g++.1} (78%)
 rename examples/shear/{log.5Oct16.shear.g++.4 => log.27Nov18.shear.g++.4} (78%)
 rename examples/shear/{log.5Oct16.shear.void.g++.1 => log.27Nov18.shear.void.g++.1} (78%)
 rename examples/shear/{log.5Oct16.shear.void.g++.4 => log.27Nov18.shear.void.g++.4} (78%)
 rename examples/snap/{log.20Apr18.snap.Mo_Chen.g++.1 => log.27Nov18.snap.Mo_Chen.g++.1} (86%)
 rename examples/snap/{log.20Apr18.snap.Mo_Chen.g++.4 => log.27Nov18.snap.Mo_Chen.g++.4} (85%)
 rename examples/snap/{log.20Apr18.snap.Ta06A.g++.1 => log.27Nov18.snap.Ta06A.g++.1} (86%)
 rename examples/snap/{log.20Apr18.snap.Ta06A.g++.4 => log.27Nov18.snap.Ta06A.g++.4} (87%)
 rename examples/snap/{log.20Apr18.snap.W.2940.g++.1 => log.27Nov18.snap.W.2940.g++.1} (87%)
 rename examples/snap/{log.20Apr18.snap.W.2940.g++.4 => log.27Nov18.snap.W.2940.g++.4} (87%)
 rename examples/snap/{log.20Apr18.snap.hybrid.WSNAP.HePair.g++.1 => log.27Nov18.snap.hybrid.WSNAP.HePair.g++.1} (87%)
 rename examples/snap/{log.20Apr18.snap.hybrid.WSNAP.HePair.g++.4 => log.27Nov18.snap.hybrid.WSNAP.HePair.g++.4} (88%)
 rename examples/srd/{log.5Oct16.srd.mixture.g++.1 => log.27Nov18.srd.mixture.g++.1} (85%)
 create mode 100644 examples/srd/log.27Nov18.srd.mixture.g++.4
 rename examples/srd/{log.5Oct16.srd.pure.g++.1 => log.27Nov18.srd.pure.g++.1} (90%)
 rename examples/srd/{log.5Oct16.srd.pure.g++.4 => log.27Nov18.srd.pure.g++.4} (90%)
 delete mode 100644 examples/srd/log.5Oct16.srd.mixture.g++.4
 rename examples/streitz/{log.5Oct16.streitz.ewald.g++.1 => log.27Nov18.streitz.ewald.g++.1} (56%)
 rename examples/streitz/{log.5Oct16.streitz.ewald.g++.4 => log.27Nov18.streitz.ewald.g++.4} (53%)
 rename examples/streitz/{log.5Oct16.streitz.wolf.g++.1 => log.27Nov18.streitz.wolf.g++.1} (55%)
 rename examples/streitz/{log.5Oct16.streitz.wolf.g++.4 => log.27Nov18.streitz.wolf.g++.4} (57%)
 mode change 100644 => 120000 examples/threebody/BNC.tersoff
 delete mode 100644 examples/threebody/CdTeZnSeHgS0.sw
 mode change 100644 => 120000 examples/threebody/InP.vashishta
 create mode 120000 examples/threebody/Si.tersoff.mod
 create mode 120000 examples/threebody/Si.tersoff.modc
 create mode 100644 examples/threebody/log.27Nov18.threebody.g++.1
 create mode 100644 examples/threebody/log.27Nov18.threebody.g++.4
 mode change 100644 => 120000 examples/vashishta/InP.vashishta
 mode change 100644 => 120000 examples/vashishta/SiO.1990.vashishta
 rename examples/vashishta/{log.5Oct16.indiumphosphide.g++.1 => log.27Nov18.vashishta.inp.g++.1} (85%)
 rename examples/vashishta/{log.5Oct16.vashishta.inp.g++.4 => log.27Nov18.vashishta.inp.g++.4} (87%)
 rename examples/vashishta/{log.5Oct16.sio2.g++.1 => log.27Nov18.vashishta.sio2.g++.1} (70%)
 rename examples/vashishta/{log.5Oct16.vashishta.sio2.g++.4 => log.27Nov18.vashishta.sio2.g++.4} (71%)
 rename examples/vashishta/{log.5Oct16.vashishta.table.inp.g++.1 => log.27Nov18.vashishta.table.inp.g++.1} (85%)
 rename examples/vashishta/{log.5Oct16.vashishta.table.inp.g++.4 => log.27Nov18.vashishta.table.inp.g++.4} (85%)
 rename examples/vashishta/{log.5Oct16.vashishta.table.sio2.g++.1 => log.27Nov18.vashishta.table.sio2.g++.1} (72%)
 rename examples/vashishta/{log.5Oct16.vashishta.table.sio2.g++.4 => log.27Nov18.vashishta.table.sio2.g++.4} (72%)
 delete mode 100644 examples/vashishta/log.5Oct16.indiumphosphide.g++.4
 delete mode 100644 examples/vashishta/log.5Oct16.sio2.g++.4
 delete mode 100644 examples/vashishta/log.5Oct16.vashishta.inp.g++.1
 delete mode 100644 examples/vashishta/log.5Oct16.vashishta.sio2.g++.1
 rename examples/voronoi/{log.5Oct16.voronoi.2d.g++.1 => log.27Nov18.voronoi.2d.g++.1} (81%)
 rename examples/voronoi/{log.5Oct16.voronoi.2d.g++.4 => log.27Nov18.voronoi.2d.g++.4} (79%)
 rename examples/voronoi/{log.5Oct16.voronoi.data.g++.1 => log.27Nov18.voronoi.data.g++.1} (82%)
 rename examples/voronoi/{log.5Oct16.voronoi.data.g++.4 => log.27Nov18.voronoi.data.g++.4} (82%)
 rename examples/voronoi/{log.5Oct16.voronoi.g++.1 => log.27Nov18.voronoi.g++.1} (78%)
 rename examples/voronoi/{log.5Oct16.voronoi.g++.4 => log.27Nov18.voronoi.g++.4} (77%)

diff --git a/examples/rdf-adf/spce-adf.dat.ref b/examples/rdf-adf/spce-adf.dat.ref
index 2c6b53c291..0109e13ccb 100644
--- a/examples/rdf-adf/spce-adf.dat.ref
+++ b/examples/rdf-adf/spce-adf.dat.ref
@@ -12,38 +12,38 @@
 8 30 0 0 0 0
 9 34 0 0 0 0
 10 38 0 0 0 0
-11 42 2.66805e-05 0.00123333 0 0
-12 46 0.00168251 0.07888 0 0
-13 50 0.00730338 0.41588 0 0
-14 54 0.00883969 0.82378 0 0
-15 58 0.00712558 1.15264 0 0
-16 62 0.00681516 1.46717 0 0
-17 66 0.00753965 1.81511 0 0
-18 70 0.0086394 2.21377 0 0
-19 74 0.00958735 2.65613 0 0
-20 78 0.0102438 3.12873 5.076e-06 2e-05
-21 82 0.0108097 3.62739 2.62642e-05 0.000123333
-22 86 0.0112538 4.14651 0.000100091 0.000516667
-23 90 0.0115997 4.68151 0.000173925 0.0012
-24 94 0.0118726 5.22921 0.00025685 0.00221
-25 98 0.0118616 5.77635 0.000341943 0.00355333
-26 102 0.0117868 6.32011 0.000488452 0.00547333
-27 106 0.0115064 6.85083 0.000753934 0.00843667
-28 110 0.0111827 7.36672 0.00118587 0.0130967
-29 114 0.0106304 7.85709 0.00157663 0.0192933
-30 118 0.0100947 8.32278 0.00223856 0.0280933
-31 122 0.009349 8.75409 0.00295997 0.0397267
-32 126 0.008637 9.15256 0.00363466 0.05401
-33 130 0.00785049 9.51475 0.00480604 0.0728967
-34 134 0.00712391 9.8434 0.00617924 0.09718
-35 138 0.00633303 10.1356 0.00801778 0.12869
-36 142 0.00574158 10.4005 0.0105777 0.170257
-37 146 0.00509275 10.6354 0.0138935 0.224857
-38 150 0.0045349 10.8446 0.0182593 0.296613
-39 154 0.00398109 11.0283 0.0234156 0.38863
-40 158 0.00334665 11.1827 0.0283932 0.500213
-41 162 0.00273371 11.3088 0.032517 0.627997
-42 166 0.00212695 11.407 0.0330644 0.757927
-43 170 0.00153822 11.4779 0.0292715 0.872957
-44 174 0.000912858 11.52 0.0205789 0.953827
-45 178 0.000296337 11.5337 0.00728348 0.98245
+11 42 2.37636e-05 0.00109333 0 0
+12 46 0.00169251 0.0789867 0 0
+13 50 0.00730134 0.414993 0 0
+14 54 0.00880551 0.820173 0 0
+15 58 0.0071375 1.14866 0 0
+16 62 0.0066689 1.45561 0 0
+17 66 0.00746703 1.79925 0 0
+18 70 0.00857042 2.19363 0 0
+19 74 0.0093992 2.62615 0 0
+20 78 0.0101772 3.09435 4.23471e-06 1.66667e-05
+21 82 0.0108355 3.59288 3.04321e-05 0.000136667
+22 86 0.0113606 4.11563 9.22188e-05 0.0005
+23 90 0.0117079 4.65431 0.000176849 0.00119667
+24 94 0.0119884 5.2059 0.000230899 0.00210667
+25 98 0.012007 5.75831 0.000312922 0.00334
+26 102 0.0117876 6.30063 0.000482843 0.00524333
+27 106 0.011572 6.83302 0.000770416 0.00828
+28 110 0.0111902 7.34792 0.00113941 0.01277
+29 114 0.0106638 7.83854 0.00161896 0.01915
+30 118 0.0100445 8.30067 0.00220659 0.0278433
+31 122 0.0092193 8.72479 0.00273188 0.0386067
+32 126 0.00860698 9.12078 0.00353887 0.05255
+33 130 0.00788729 9.48369 0.00463824 0.0708233
+34 134 0.0071613 9.81317 0.00589308 0.09404
+35 138 0.00645327 10.1101 0.00794474 0.125337
+36 142 0.00575866 10.3751 0.0103074 0.16594
+37 146 0.00512532 10.6109 0.0139526 0.220907
+38 150 0.0045258 10.8192 0.0181886 0.292553
+39 154 0.00394488 11.0007 0.0234856 0.385067
+40 158 0.00336751 11.1557 0.0285798 0.497653
+41 162 0.00274518 11.282 0.0325617 0.625923
+42 166 0.00211836 11.3794 0.0335082 0.757917
+43 170 0.00149999 11.4485 0.0296222 0.874607
+44 174 0.000895422 11.4897 0.0205701 0.955633
+45 178 0.00028968 11.503 0.00741112 0.984827
diff --git a/examples/rdf-adf/spce-rdf.dat.ref b/examples/rdf-adf/spce-rdf.dat.ref
index 204e5ffc73..7c978e1635 100644
--- a/examples/rdf-adf/spce-rdf.dat.ref
+++ b/examples/rdf-adf/spce-rdf.dat.ref
@@ -14,91 +14,91 @@
 10 1.14 0 0 0 0 0 2
 11 1.26 0 0 0 0 0 2
 12 1.38 0 0 0 0 0 2
-13 1.5 0 0 0.00146316 0.000333333 0.0485606 2.01107
-14 1.62 0 0 3.77986 1.00467 0.691259 2.1948
-15 1.74 0 0 0.087001 1.03133 1.5081 2.6572
-16 1.86 0 0 0.261354 1.12287 1.29225 3.10993
-17 1.98 0 0 0.557712 1.3442 0.791284 3.42407
-18 2.1 0 0 0.890071 1.74153 0.441155 3.62107
-19 2.22 0 0 1.18482 2.3326 0.280275 3.76093
-20 2.34 0 0 1.33539 3.07273 0.203573 3.8738
-21 2.46 0.0296137 0.00906667 1.31236 3.8766 0.199433 3.996
-22 2.58 0.910251 0.3156 1.12596 4.6352 0.252635 4.16627
-23 2.7 2.74616 1.3284 0.92755 5.3196 0.399944 4.46147
-24 2.82 2.69277 2.41173 0.776668 5.94473 0.620912 4.9614
-25 2.94 1.69749 3.154 0.715559 6.57073 0.927784 5.77333
-26 3.06 1.12844 3.68853 0.734337 7.26667 1.28373 6.99033
-27 3.18 0.894502 4.14613 0.785685 8.0708 1.53008 8.55687
-28 3.3 0.830879 4.60387 0.853285 9.01127 1.55205 10.2681
-29 3.42 0.837147 5.0992 0.940998 10.1252 1.42789 11.9589
-30 3.54 0.87264 5.6524 1.02352 11.4233 1.30488 13.6145
-31 3.66 0.890146 6.2556 1.10007 12.9147 1.15043 15.1747
-32 3.78 0.923629 6.9232 1.14816 14.5751 1.05067 16.6945
-33 3.9 0.948076 7.65267 1.1789 16.3898 0.995284 18.2271
-34 4.02 1.02003 8.48653 1.14251 18.2584 0.987649 19.843
-35 4.14 1.05003 9.39693 1.09918 20.1651 0.973183 21.5317
-36 4.26 1.0578 10.368 1.05588 22.1043 0.968154 23.3104
-37 4.38 1.08788 11.4237 1.04202 24.1275 0.95294 25.1612
-38 4.5 1.0991 12.5496 1.02603 26.2302 0.948747 27.1062
-39 4.62 1.08758 13.7239 1.0199 28.4333 0.952182 29.1637
-40 4.74 1.08319 14.9549 1.0085 30.7265 0.958425 31.3437
-41 4.86 1.06718 16.23 1.0021 33.1219 0.966773 33.6555
-42 4.98 1.0236 17.5141 0.983127 35.5894 0.975683 36.1051
-43 5.1 0.979245 18.8025 0.968484 38.1387 0.993353 38.7208
-44 5.22 0.967438 20.136 0.960781 40.7882 1.0117 41.5116
-45 5.34 0.9397 21.4915 0.95327 43.5392 1.02048 44.4575
-46 5.46 0.933775 22.8996 0.957903 46.4292 1.02138 47.5401
-47 5.58 0.905728 24.3261 0.96475 49.4692 1.01134 50.7279
-48 5.7 0.908316 25.8189 0.985709 52.7103 1.00699 54.0401
-49 5.82 0.922062 27.3988 0.992001 56.1108 0.993731 57.4477
-50 5.94 0.933444 29.0648 1.00316 59.6929 0.985977 60.9695
-51 6.06 0.967112 30.8613 1.00148 63.4149 0.975667 64.5968
-52 6.18 0.995762 32.7851 1.00378 67.2946 0.966562 68.3339
-53 6.3 1.01856 34.83 1.01103 71.3556 0.980183 72.2723
-54 6.42 1.02375 36.9644 1.00763 75.5586 0.975791 76.3439
-55 6.54 1.02443 39.1808 1.0048 79.9079 0.988272 80.6231
-56 6.66 1.04424 41.5237 0.994556 84.3723 0.992933 85.0817
-57 6.78 1.02624 43.91 0.993082 88.9922 1.00275 89.7481
-58 6.9 1.05342 46.4469 0.995881 93.7905 1.0039 94.5867
-59 7.02 1.04804 49.0595 1.0028 98.7917 1.0061 99.606
-60 7.14 1.03565 51.7301 0.999035 103.946 1.00976 104.817
-61 7.26 1.01185 54.4279 0.999229 109.276 1.01388 110.227
-62 7.38 1.00714 57.2025 0.997563 114.774 1.02243 115.864
-63 7.5 0.997335 60.0403 1.00429 120.491 1.01948 121.67
-64 7.62 0.98964 62.9469 1.00029 126.369 1.01107 127.613
-65 7.74 0.986472 65.9363 1.01014 132.493 1.0127 133.755
-66 7.86 0.976805 68.9888 1.0082 138.797 1.00837 140.061
-67 7.98 0.980184 72.1461 1.00972 145.304 1.00029 146.51
-68 8.1 0.99097 75.4349 1.00403 151.97 0.999714 153.15
-69 8.22 0.988581 78.8137 1.00883 158.869 1.00011 159.991
-70 8.34 1.0046 82.3483 1.00269 165.927 0.994842 166.996
-71 8.46 0.987279 85.9225 0.997968 173.155 0.990283 174.171
-72 8.58 1.00046 89.648 0.999277 180.6 0.990097 181.55
-73 8.7 1.00036 93.478 0.999683 188.257 0.987047 189.113
-74 8.82 1.00138 97.4184 0.995158 196.091 0.991812 196.923
-75 8.94 1.02075 101.545 0.999836 204.178 0.991287 204.944
-76 9.06 1.00201 105.705 0.99005 212.403 0.996973 213.228
-77 9.18 0.990377 109.927 0.994103 220.881 1.00126 221.77
-78 9.3 1.0021 114.311 0.998366 229.619 0.997051 230.5
-79 9.42 1.00911 118.841 0.996714 238.57 1.00147 239.496
-80 9.54 1.00129 123.45 0.997009 247.752 1.00442 248.751
-81 9.66 0.994425 128.144 0.999099 257.187 1.0036 258.231
-82 9.78 0.99875 132.976 1.00089 266.876 1.00798 267.991
-83 9.9 1.00475 137.958 1.00485 276.842 1.00223 277.935
-84 10.02 1.00821 143.078 1.00531 287.057 1.00199 288.119
-85 10.14 1.00146 148.286 1.00396 297.503 1.00607 298.591
-86 10.26 0.987716 153.546 1.00115 308.168 1.00195 309.269
-87 10.38 0.996668 158.978 0.999956 319.072 0.999207 320.167
-88 10.5 1.00737 164.595 1.00266 330.259 0.999525 331.323
-89 10.62 1.00322 170.319 1.00368 341.714 0.991347 342.642
-90 10.74 1.00197 176.165 1.00151 353.405 1.00118 354.333
-91 10.86 1.01265 182.206 0.997669 365.313 1.00021 366.275
-92 10.98 1.00566 188.339 1.00218 377.54 0.998434 378.46
-93 11.1 1.00615 194.61 0.998681 389.992 1.00219 390.96
-94 11.22 0.989815 200.913 0.994781 402.666 0.996803 403.664
-95 11.34 0.995666 207.389 0.998115 415.655 0.99786 416.654
-96 11.46 0.990077 213.966 0.999458 428.938 1.00053 429.956
-97 11.58 0.992053 220.695 0.997809 442.479 0.994388 443.455
-98 11.7 1.00038 227.622 0.999064 456.319 1.00445 457.374
-99 11.82 0.99774 234.673 1.00106 470.473 0.998027 471.49
-100 11.94 1.00539 241.923 0.99896 484.885 1.00035 485.927
+13 1.5 0 0 0.00175579 0.0004 0.0526561 2.012
+14 1.62 0 0 3.78111 1.00507 0.697028 2.19727
+15 1.74 0 0 0.0891761 1.0324 1.47939 2.65087
+16 1.86 0 0 0.258879 1.12307 1.31357 3.11107
+17 1.98 0 0 0.547465 1.34033 0.778689 3.4202
+18 2.1 0 0 0.913219 1.748 0.445036 3.61893
+19 2.22 0 0 1.17666 2.335 0.280275 3.7588
+20 2.34 0 0 1.32397 3.0688 0.200928 3.8702
+21 2.46 0.0344041 0.0105333 1.298 3.86387 0.19965 3.99253
+22 2.58 0.933215 0.3248 1.14238 4.63353 0.260351 4.168
+23 2.7 2.69772 1.31973 0.918695 5.3114 0.409066 4.46993
+24 2.82 2.69973 2.40587 0.788843 5.94633 0.622485 4.97113
+25 2.94 1.68742 3.14373 0.716931 6.57353 0.921309 5.7774
+26 3.06 1.17854 3.702 0.725122 7.26073 1.28872 6.99913
+27 3.18 0.877821 4.15107 0.783927 8.06307 1.52077 8.55613
+28 3.3 0.823134 4.60453 0.856914 9.00753 1.55623 10.2719
+29 3.42 0.848865 5.1068 0.944321 10.1254 1.42361 11.9577
+30 3.54 0.859179 5.65147 1.02168 11.4212 1.28943 13.5937
+31 3.66 0.902739 6.2632 1.1038 12.9177 1.14738 15.1497
+32 3.78 0.926027 6.93253 1.1595 14.5944 1.0656 16.6912
+33 3.9 0.958993 7.6704 1.17188 16.3983 0.99537 18.2239
+34 4.02 0.998828 8.48693 1.14666 18.2737 0.993965 19.8501
+35 4.14 1.04388 9.392 1.10034 20.1824 0.968649 21.5309
+36 4.26 1.06085 10.3659 1.0577 22.125 0.960389 23.2954
+37 4.38 1.07881 11.4128 1.03302 24.1307 0.96849 25.1764
+38 4.5 1.08582 12.5251 1.01926 26.2195 0.952324 27.1287
+39 4.62 1.10128 13.7141 1.01049 28.4023 0.950238 29.1821
+40 4.74 1.08014 14.9417 1.00533 30.6883 0.95441 31.3529
+41 4.86 1.06986 16.22 1.00062 33.0801 0.95827 33.6443
+42 4.98 1.03848 17.5228 0.984535 35.5512 0.980463 36.106
+43 5.1 0.978536 18.8103 0.979628 38.1299 0.98282 38.6939
+44 5.22 0.971985 20.15 0.961821 40.7822 1.01254 41.4871
+45 5.34 0.94275 21.5099 0.957683 43.5459 1.02253 44.4389
+46 5.46 0.91839 22.8948 0.956334 46.4312 1.01667 47.5073
+47 5.58 0.913178 24.3331 0.97006 49.4879 1.02157 50.7274
+48 5.7 0.917321 25.8407 0.98508 52.7269 1.00299 54.0264
+49 5.82 0.906654 27.3941 0.985116 56.1039 0.993109 57.4319
+50 5.94 0.926646 29.048 1.00072 59.6772 0.984428 60.9482
+51 6.06 0.976372 30.8617 1.00731 63.4209 0.983091 64.6031
+52 6.18 0.988791 32.772 1.00833 67.3182 0.970493 68.3554
+53 6.3 1.01384 34.8075 1.0079 71.3666 0.975255 72.274
+54 6.42 1.02791 36.9505 1.00939 75.5769 0.983508 76.3777
+55 6.54 1.03645 39.1929 1.00148 79.9119 0.990828 80.668
+56 6.66 1.04864 41.5457 0.998046 84.3919 0.993913 85.131
+57 6.78 1.03771 43.9587 0.997997 89.0347 0.998581 89.778
+58 6.9 1.04218 46.4685 0.993391 93.821 1.00659 94.6295
+59 7.02 1.05285 49.0931 1.00509 98.8336 1.01027 99.6697
+60 7.14 1.02748 51.7427 0.998338 103.984 1.01201 104.893
+61 7.26 1.0231 54.4704 0.998866 109.312 1.0124 110.295
+62 7.38 1.01372 57.2632 1.00397 114.846 1.0199 115.918
+63 7.5 0.988947 60.0771 1.00531 120.569 1.02265 121.741
+64 7.62 0.980062 62.9556 1.00466 126.472 1.01237 127.692
+65 7.74 0.989464 65.954 1.00649 132.574 1.00737 133.802
+66 7.86 0.989093 69.0449 1.00774 138.875 1.00819 140.107
+67 7.98 0.98097 72.2048 1.00692 145.364 0.999231 146.549
+68 8.1 0.977431 75.4487 1.00046 152.007 1.00085 153.196
+69 8.22 0.985577 78.8172 1.00522 158.88 0.995709 160.007
+70 8.34 0.992739 82.31 1.00494 165.954 0.989474 166.974
+71 8.46 0.991994 85.9013 0.997194 173.177 0.993918 174.176
+72 8.58 1.00368 89.6388 0.998087 180.612 0.989104 181.547
+73 8.7 1.0116 93.5119 0.998012 188.257 0.990205 189.134
+74 8.82 1.00751 97.4764 0.991686 196.064 0.989992 196.931
+75 8.94 1.00977 101.559 1.00219 204.17 0.994295 204.976
+76 9.06 0.999123 105.707 0.994424 212.431 0.997422 213.264
+77 9.18 0.998916 109.965 0.994158 220.909 0.999422 221.79
+78 9.3 0.994577 114.316 0.996797 229.634 1.00194 230.563
+79 9.42 1.00825 118.842 0.999476 238.609 0.999165 239.538
+80 9.54 0.998167 123.437 1.0022 247.84 1.00643 248.811
+81 9.66 0.997363 128.145 0.999346 257.277 1.00494 258.304
+82 9.78 1.0017 132.991 0.998169 266.939 1.00407 268.026
+83 9.9 1.00266 137.962 0.999727 276.855 1.00037 277.952
+84 10.02 0.997976 143.03 1.00404 287.057 1.00406 288.157
+85 10.14 0.999388 148.228 1.00641 297.529 1.00094 298.576
+86 10.26 0.999911 153.552 1.00311 308.215 0.999732 309.229
+87 10.38 1.00403 159.024 0.997204 319.088 0.999567 320.132
+88 10.5 1.00586 164.634 1.00433 330.294 0.997524 331.265
+89 10.62 1.00479 170.366 1.00278 341.739 0.999381 342.676
+90 10.74 1.0057 176.234 1.00313 353.449 0.999143 354.343
+91 10.86 0.99951 182.197 1.00108 365.397 1.00255 366.313
+92 10.98 1.004 188.319 1.00128 377.613 0.998276 378.496
+93 11.1 1.0075 194.599 0.996323 390.036 1.00332 391.011
+94 11.22 0.998232 200.955 0.997973 402.75 1.00385 403.804
+95 11.34 0.99788 207.446 0.996466 415.718 1.00156 416.842
+96 11.46 0.994593 214.053 0.999307 428.999 0.999586 430.132
+97 11.58 0.998619 220.827 0.999303 442.56 0.998194 443.682
+98 11.7 0.993817 227.708 0.99877 456.397 0.9981 457.514
+99 11.82 1.00212 234.79 1.00325 470.581 0.994609 471.581
+100 11.94 0.999696 241.999 0.999589 485.003 0.998572 485.993
diff --git a/examples/rigid/log.20Apr18.rigid.poems.g++.1 b/examples/rigid/log.20Apr18.rigid.poems.g++.1
deleted file mode 100644
index 0cba72a2dd..0000000000
--- a/examples/rigid/log.20Apr18.rigid.poems.g++.1
+++ /dev/null
@@ -1,338 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Simple rigid body system
-
-units		lj
-atom_style	atomic
-
-pair_style	lj/cut 2.5
-
-read_data	data.rigid
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  81 atoms
-
-velocity 	all create 100.0 4928459
-
-# unconnected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 10 18
-#group		clump3 id <> 19 27
-#group		clump4 id <> 28 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 46 54
-#group		clump7 id <> 55 63
-#group		clump8 id <> 64 72
-#group		clump9 id <> 73 81
-
-#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 1 chain of connected bodies
-
-group		clump1 id <> 1 9
-9 atoms in group clump1
-group		clump2 id <> 9 18
-10 atoms in group clump2
-group		clump3 id <> 18 27
-10 atoms in group clump3
-group		clump4 id <> 27 36
-10 atoms in group clump4
-group		clump5 id <> 36 45
-10 atoms in group clump5
-group		clump6 id <> 45 54
-10 atoms in group clump6
-group		clump7 id <> 54 63
-10 atoms in group clump7
-group		clump8 id <> 63 72
-10 atoms in group clump8
-group		clump9 id <> 72 81
-10 atoms in group clump9
-
-fix 1 all poems group clump1 clump2 clump3 clump4 clump5 	  	      clump6 clump7 clump8 clump9
-1 clusters, 9 bodies, 8 joints, 81 atoms
-
-# 2 chains of connected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 9 18
-#group		clump3 id <> 18 27
-#group		clump4 id <> 27 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 45 54
-#group		clump7 id <> 54 63
-#group		clump8 id <> 63 72
-#group		clump9 id <> 72 81
-
-#fix 1 all poems group clump1 clump2 clump3 clump4
-#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
-
-neigh_modify	exclude group clump1 clump1
-neigh_modify	exclude group clump2 clump2
-neigh_modify	exclude group clump3 clump3
-neigh_modify	exclude group clump4 clump4
-neigh_modify	exclude group clump5 clump5
-neigh_modify	exclude group clump6 clump6
-neigh_modify	exclude group clump7 clump7
-neigh_modify	exclude group clump8 clump8
-neigh_modify	exclude group clump9 clump9
-
-thermo		100
-
-#dump		1 all atom 50 dump.rigid.poems
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 5
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 5
-
-timestep 	0.0001
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 18 18 18
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.292 | 3.292 | 3.292 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0     217.7783    3430.3907            0    3466.6871   -2.7403788 
-      50    13679.637    1404.2468            0    3684.1863    12.446066 
-     100    16777.225    888.87665            0    3685.0808   -31.828677 
-     150    19595.365    418.45042            0    3684.3446    40.709078 
-     200    18524.188    596.47273            0    3683.8375   -0.8159371 
-     250    21015.789    180.96521            0    3683.5967   -10.042469 
-     300    20785.513    219.25314            0    3683.5053    2.6452719 
-     350     21072.46     171.2554            0    3683.3321    7.0609024 
-     400    19956.414    356.36381            0    3682.4328    19.320259 
-     450     20724.42    227.73284            0    3681.8028    8.1259249 
-     500    20152.578    322.71466            0    3681.4777    5.4929878 
-     550    20017.022    345.29701            0    3681.4673    5.4661666 
-     600    17897.743    698.72196            0    3681.6791    3.2854742 
-     650    17297.758    796.60256            0    3679.5623    15.191113 
-     700    18581.934    584.29715            0    3681.2861    5.1588289 
-     750    21774.158    52.821062            0    3681.8474   -10.775664 
-     800    21604.055    81.188546            0    3681.8644   -3.2045743 
-     850    17821.483    711.53827            0    3681.7854    7.4384277 
-     900    21033.292    175.98127            0    3681.5299   -16.345167 
-     950    20968.166    186.59847            0    3681.2929    -2.330456 
-    1000     20490.66    266.19375            0    3681.3037    11.787983 
-    1050    20222.396    310.94072            0      3681.34   -8.3459539 
-    1100    21321.687    127.61533            0    3681.2299   -1.2184717 
-    1150    20849.582    206.01695            0    3680.9472  -0.86699146 
-    1200    21815.003    45.317414            0    3681.1512    1.5988314 
-    1250    18655.437    572.41453            0     3681.654    10.064078 
-    1300    20780.781    217.36506            0    3680.8286    6.0538615 
-    1350    20558.971    254.36482            0    3680.8601   -3.6773954 
-    1400    21485.029    99.812918            0    3680.6511   -16.185473 
-    1450    21771.107    52.159607            0    3680.6775   -2.4756675 
-    1500    21520.948    93.503927            0    3680.3286    2.1023577 
-    1550    21351.418    121.68138            0    3680.2511     5.515995 
-    1600    20778.805    216.92177            0    3680.0559    15.089187 
-    1650    21477.638    100.21836            0    3679.8247   -1.1045739 
-    1700    18501.339    596.47922            0    3680.0357   -15.679682 
-    1750    18563.642     587.3479            0    3681.2882    33.532211 
-    1800    19110.186    494.82336            0    3679.8543    18.024046 
-    1850    21364.191    119.23543            0    3679.9339    2.5291075 
-    1900    20146.627    322.14849            0    3679.9197    5.7313175 
-    1950    20692.671    231.25345            0    3680.0319     4.297772 
-    2000    20943.905    189.11218            0    3679.7629    -22.64509 
-    2050    19668.055    401.83025            0    3679.8394    3.6251438 
-    2100    20280.434    299.76289            0    3679.8353    7.4807805 
-    2150    19181.835    483.52621            0    3680.4987     22.62081 
-    2200     21300.18     130.7021            0    3680.7322     4.710193 
-    2250    20486.914    266.64414            0    3681.1299   -8.6458025 
-    2300    18653.082    572.25481            0    3681.1017   -5.2636982 
-    2350    21513.563    95.608298            0    3681.2021   -9.3624751 
-    2400    21466.205    103.57569            0    3681.2765   -29.559707 
-    2450    20100.204    332.25468            0    3682.2886    35.739592 
-    2500    20764.513    221.64794            0    3682.4001    -12.46688 
-    2550    20436.771    276.13128            0    3682.2598   -22.419404 
-    2600    21466.252    104.57185            0    3682.2806   -10.080362 
-    2650    20817.269    212.81674            0    3682.3615    5.1374497 
-    2700    18565.157    588.46125            0    3682.6541    22.283866 
-    2750    20780.743    218.76366            0    3682.2208   -8.0046411 
-    2800     21032.22    176.82368            0    3682.1936    -7.078895 
-    2850    16817.729    879.49153            0    3682.4464    33.140849 
-    2900    19309.511    463.89319            0     3682.145    7.9225025 
-    2950    20544.978    257.86831            0    3682.0314    2.0523059 
-    3000    20616.438     246.0975            0    3682.1706   -0.2824889 
-    3050    18648.596    574.37266            0    3682.4721   -5.8677065 
-    3100    19147.135    490.76826            0    3681.9574   -1.9922835 
-    3150    18568.022    587.36965            0    3682.0399    14.694505 
-    3200    19720.841    395.38315            0    3682.1899    5.9162402 
-    3250    19008.557    514.50687            0    3682.5998   -3.4702895 
-    3300    21708.937    64.231264            0    3682.3874   -5.4808611 
-    3350    20548.477    257.62974            0    3682.3759    9.7818301 
-    3400     20508.84     264.0153            0    3682.1553   -12.578182 
-    3450    18736.579    559.11222            0    3681.8754    21.920437 
-    3500     21444.82    107.82706            0    3681.9638  0.093050651 
-    3550    20439.241    275.31015            0    3681.8503   -3.0785302 
-    3600      21547.1    90.778361            0    3681.9617   -5.9189729 
-    3650    15623.305     1079.996            0    3683.8802    36.064752 
-    3700    19912.452    363.09483            0    3681.8368    5.4802367 
-    3750      21289.7     133.2258            0    3681.5091   -10.884642 
-    3800    20214.875    312.09245            0    3681.2382    8.6419893 
-    3850    19853.031    372.13835            0    3680.9769    2.6229234 
-    3900    17863.409     703.8716            0    3681.1064   -1.4250404 
-    3950    19926.351    359.87227            0    3680.9307    -14.60997 
-    4000    17595.665    747.85423            0    3680.4651    24.228859 
-    4050    18408.194    611.80934            0    3679.8416    4.4236034 
-    4100    17506.503     762.1286            0    3679.8792    5.0526379 
-    4150    18479.134    600.76034            0    3680.6159   -6.6523095 
-    4200    18475.322    601.95797            0    3681.1783    1.3292995 
-    4250    18301.378    630.34119            0    3680.5709    2.5387332 
-    4300    19384.541    449.98455            0    3680.7414    5.8750989 
-    4350    18717.888    561.31715            0    3680.9651    3.7948584 
-    4400    18893.773    532.20993            0     3681.172    10.963539 
-    4450    20269.613    302.15984            0    3680.4286   -10.145642 
-    4500    19151.762    489.32407            0    3681.2845    21.695364 
-    4550    19914.708    361.54065            0    3680.6587   -4.2298372 
-    4600     21153.44    154.99598            0    3680.5693    2.3172078 
-    4650    21021.611    176.81454            0    3680.4164    1.9128023 
-    4700    21707.966    62.767734            0     3680.762   -5.2080189 
-    4750    16517.674    927.53839            0     3680.484    17.329608 
-    4800    21654.604    71.574174            0    3680.6749   -6.0650166 
-    4850    18135.978    657.28622            0    3679.9493    5.4803307 
-    4900    20389.048    282.49215            0    3680.6668   -2.8570431 
-    4950    17159.074    820.81472            0    3680.6604    31.273877 
-    5000    20788.159    215.88415            0    3680.5773    4.6345196 
-    5050    21366.767    119.68693            0    3680.8148   -9.9482889 
-    5100     20668.21    236.17655            0    3680.8782    3.8118334 
-    5150    20468.573    269.83696            0    3681.2657   -26.625943 
-    5200    19493.142    432.49135            0    3681.3483   -7.6677112 
-    5250    19626.594    410.09767            0    3681.1967    7.3622341 
-    5300    20771.914    219.12484            0    3681.1105   -7.0871793 
-    5350    21152.459    155.26401            0    3680.6738    5.9030557 
-    5400    21376.189    117.91075            0    3680.6088   -1.2004513 
-    5450     21455.06    105.15166            0     3680.995   -9.1675471 
-    5500    21227.896    143.35739            0    3681.3401    -6.646305 
-    5550    21149.831    156.61404            0    3681.5858   -12.953136 
-    5600    21364.198    120.94695            0    3681.6466    1.0372254 
-    5650    20219.777    311.34588            0    3681.3088    6.5026316 
-    5700    21163.024     154.3001            0    3681.4708  -0.47587262 
-    5750    19583.077    418.40745            0    3682.2535    24.609517 
-    5800    18801.324    548.79742            0    3682.3515   -12.082631 
-    5850      20875.4    203.07604            0    3682.3093   -8.1191161 
-    5900    20737.053     226.2734            0    3682.4489   -7.6845943 
-    5950    21260.028    139.21888            0    3682.5568   -2.2977046 
-    6000     19823.84    378.71803            0    3682.6914   -1.1163373 
-    6050    20487.214    268.03474            0    3682.5704     4.313979 
-    6100    17853.211    707.10918            0    3682.6443    16.762322 
-    6150    21322.705       129.06            0    3682.8441    2.7500936 
-    6200    21609.008    81.580972            0    3683.0823   0.37062555 
-    6250    20364.115    289.30707            0    3683.3262    13.176034 
-    6300      20201.9    316.16558            0     3683.149   -1.6318339 
-    6350    21151.879    157.75018            0    3683.0634   -23.337621 
-    6400    21453.129    107.45563            0    3682.9772  -0.60776225 
-    6450    21105.382     165.1926            0    3682.7562     4.244932 
-    6500    20746.748     224.6945            0    3682.4859    0.2929158 
-    6550    20913.725    197.29847            0    3682.9194   -15.792862 
-    6600    17956.374    690.52623            0    3683.2552    15.445255 
-    6650    20270.609    303.60078            0    3682.0357  -0.26503277 
-    6700    21442.931    109.08904            0    3682.9109   -2.8409166 
-    6750    20907.994    198.30695            0    3682.9726   0.91664072 
-    6800    20431.208    277.98326            0    3683.1845   -1.8537161 
-    6850    20312.052    297.88656            0    3683.2285    3.1028547 
-    6900    19458.401    439.97157            0    3683.0385   -4.1856293 
-    6950    20507.759    264.99217            0     3682.952   -1.4597973 
-    7000    20782.356    219.47456            0    3683.2006   -7.1967021 
-    7050    20560.324    256.07109            0    3682.7917   -10.720013 
-    7100    21652.145    74.086415            0    3682.7772  -0.61455054 
-    7150    20134.823    326.40272            0    3682.2065    11.689827 
-    7200    20778.071    219.16459            0    3682.1765    -1.796567 
-    7250    20153.065    323.13721            0    3681.9814   -0.1215538 
-    7300    19524.938    427.99711            0    3682.1534   -3.1139903 
-    7350    20554.595    256.63855            0    3682.4044    10.023083 
-    7400     18778.53    552.29852            0    3682.0534   -1.7145222 
-    7450    18972.509    520.15393            0    3682.2388    1.4489874 
-    7500    17680.668    736.20139            0    3682.9794    15.096954 
-    7550    19070.785    504.65403            0    3683.1182    2.2707533 
-    7600    20805.541    214.54957            0    3682.1398   -3.4306308 
-    7650    18473.262    604.25322            0    3683.1301    2.2083367 
-    7700    19294.016    466.99211            0    3682.6615    2.2666382 
-    7750    20995.664    183.47108            0    3682.7484   -13.935938 
-    7800    21042.433    175.06619            0    3682.1384   0.49855811 
-    7850    19343.054    459.21955            0    3683.0618    7.9049312 
-    7900    18382.898    619.01969            0    3682.8361    1.7996366 
-    7950    16092.435    1000.6563            0    3682.7287    29.993154 
-    8000    17551.635    757.47719            0    3682.7498    8.1753011 
-    8050    20309.875    298.25877            0    3683.2379   -1.9545317 
-    8100    21746.174    59.002125            0    3683.3645   -2.6980678 
-    8150    21478.427    103.44202            0    3683.1799   -10.930392 
-    8200    20986.729    185.46995            0    3683.2581   -14.298403 
-    8250    20744.064    225.47546            0    3682.8194   -6.4982356 
-    8300    19887.982    368.35069            0    3683.0143    1.5899179 
-    8350    21871.414    37.899202            0    3683.1348   -2.0554107 
-    8400    20002.858    348.98887            0    3682.7985    8.2963084 
-    8450    21553.861    90.985193            0    3683.2953    2.8575186 
-    8500    21605.143    82.347635            0    3683.2048    -4.711565 
-    8550     20151.76     324.4703            0     3683.097   -8.5109459 
-    8600    20564.158    255.77814            0    3683.1378   -1.3815408 
-    8650    19316.602    463.61706            0    3683.0507   -2.6895635 
-    8700    18157.859    656.69518            0    3683.0051    19.428927 
-    8750     18752.43    557.67555            0    3683.0805    1.9765973 
-    8800    20903.812    199.07408            0    3683.0428    1.9011523 
-    8850    20132.963    327.56826            0    3683.0621    3.0389961 
-    8900    21667.171     71.80023            0    3682.9954   -2.0042246 
-    8950    20346.973    292.00907            0    3683.1712    7.5582361 
-    9000    17889.448    695.59406            0    3677.1688    7.5315391 
-    9050    19446.144    441.90609            0    3682.9302    5.9819228 
-    9100     20384.34    285.05862            0    3682.4486    9.8610378 
-    9150    20023.515    344.98587            0    3682.2384  -0.40175043 
-    9200    17786.795    718.76166            0    3683.2275    10.984317 
-    9250    20843.023    208.42263            0    3682.2597   -7.4709344 
-    9300    21670.622    70.503925            0    3682.2742   -6.2303366 
-    9350    20642.313    241.21277            0    3681.5983    4.7423898 
-    9400    19228.566    476.44753            0    3681.2085    10.836639 
-    9450    21215.705    146.40003            0    3682.3509    -9.091421 
-    9500    21543.685    91.725901            0    3682.3401   -1.0608492 
-    9550     20143.22    324.98532            0    3682.1887    -5.995164 
-    9600    21234.294    142.96512            0    3682.0142  0.004838125 
-    9650    21025.207     177.8801            0    3682.0813   -5.4857701 
-    9700    20638.235    242.46577            0    3682.1716   -1.6014085 
-    9750    18374.191    620.54322            0    3682.9084    13.864712 
-    9800    19730.262    393.89083            0    3682.2679    5.7601754 
-    9850    21547.855    91.283379            0    3682.5926    2.1989329 
-    9900    20959.935    189.28821            0    3682.6108    2.1174676 
-    9950    21191.026    150.79441            0    3682.6321    8.3829825 
-   10000    20776.574    220.03769            0       3682.8   -1.8404787 
-Loop time of 3.0852 on 1 procs for 10000 steps with 81 atoms
-
-Performance: 28004.636 tau/day, 3241.277 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.17336    | 0.17336    | 0.17336    |   0.0 |  5.62
-Neigh   | 0.1094     | 0.1094     | 0.1094     |   0.0 |  3.55
-Comm    | 0.010163   | 0.010163   | 0.010163   |   0.0 |  0.33
-Output  | 0.0030687  | 0.0030687  | 0.0030687  |   0.0 |  0.10
-Modify  | 2.7782     | 2.7782     | 2.7782     |   0.0 | 90.05
-Other   |            | 0.01105    |            |       |  0.36
-
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    82 ave 82 max 82 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    887 ave 887 max 887 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 887
-Ave neighs/atom = 10.9506
-Neighbor list builds = 992
-Dangerous builds = 939
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/rigid/log.20Apr18.rigid.poems.g++.4 b/examples/rigid/log.20Apr18.rigid.poems.g++.4
deleted file mode 100644
index e2fb6b65b6..0000000000
--- a/examples/rigid/log.20Apr18.rigid.poems.g++.4
+++ /dev/null
@@ -1,338 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Simple rigid body system
-
-units		lj
-atom_style	atomic
-
-pair_style	lj/cut 2.5
-
-read_data	data.rigid
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  81 atoms
-
-velocity 	all create 100.0 4928459
-
-# unconnected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 10 18
-#group		clump3 id <> 19 27
-#group		clump4 id <> 28 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 46 54
-#group		clump7 id <> 55 63
-#group		clump8 id <> 64 72
-#group		clump9 id <> 73 81
-
-#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 1 chain of connected bodies
-
-group		clump1 id <> 1 9
-9 atoms in group clump1
-group		clump2 id <> 9 18
-10 atoms in group clump2
-group		clump3 id <> 18 27
-10 atoms in group clump3
-group		clump4 id <> 27 36
-10 atoms in group clump4
-group		clump5 id <> 36 45
-10 atoms in group clump5
-group		clump6 id <> 45 54
-10 atoms in group clump6
-group		clump7 id <> 54 63
-10 atoms in group clump7
-group		clump8 id <> 63 72
-10 atoms in group clump8
-group		clump9 id <> 72 81
-10 atoms in group clump9
-
-fix 1 all poems group clump1 clump2 clump3 clump4 clump5 	  	      clump6 clump7 clump8 clump9
-1 clusters, 9 bodies, 8 joints, 81 atoms
-
-# 2 chains of connected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 9 18
-#group		clump3 id <> 18 27
-#group		clump4 id <> 27 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 45 54
-#group		clump7 id <> 54 63
-#group		clump8 id <> 63 72
-#group		clump9 id <> 72 81
-
-#fix 1 all poems group clump1 clump2 clump3 clump4
-#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
-
-neigh_modify	exclude group clump1 clump1
-neigh_modify	exclude group clump2 clump2
-neigh_modify	exclude group clump3 clump3
-neigh_modify	exclude group clump4 clump4
-neigh_modify	exclude group clump5 clump5
-neigh_modify	exclude group clump6 clump6
-neigh_modify	exclude group clump7 clump7
-neigh_modify	exclude group clump8 clump8
-neigh_modify	exclude group clump9 clump9
-
-thermo		100
-
-#dump		1 all atom 50 dump.rigid.poems
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 5
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 5
-
-timestep 	0.0001
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 18 18 18
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.263 | 3.357 | 3.638 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0     217.7783    3430.3907            0    3466.6871   -2.7403788 
-      50    13679.637    1404.2468            0    3684.1863    12.446066 
-     100    16777.225    888.87665            0    3685.0808   -31.828677 
-     150    19595.365    418.45042            0    3684.3446    40.709078 
-     200    18524.188    596.47273            0    3683.8375   -0.8159371 
-     250    21015.789    180.96521            0    3683.5967   -10.042469 
-     300    20785.513    219.25314            0    3683.5053    2.6452719 
-     350     21072.46     171.2554            0    3683.3321    7.0609024 
-     400    19956.414    356.36381            0    3682.4328    19.320259 
-     450     20724.42    227.73284            0    3681.8028    8.1259249 
-     500    20152.578    322.71466            0    3681.4777    5.4929878 
-     550    20017.022    345.29701            0    3681.4673    5.4661666 
-     600    17897.743    698.72196            0    3681.6791    3.2854742 
-     650    17297.758    796.60256            0    3679.5623    15.191113 
-     700    18581.934    584.29715            0    3681.2861    5.1588289 
-     750    21774.158    52.821062            0    3681.8474   -10.775664 
-     800    21604.055    81.188546            0    3681.8644   -3.2045743 
-     850    17821.483    711.53827            0    3681.7854    7.4384277 
-     900    21033.292    175.98127            0    3681.5299   -16.345167 
-     950    20968.166    186.59847            0    3681.2929    -2.330456 
-    1000     20490.66    266.19375            0    3681.3037    11.787983 
-    1050    20222.396    310.94072            0      3681.34   -8.3459539 
-    1100    21321.687    127.61533            0    3681.2299   -1.2184717 
-    1150    20849.582    206.01695            0    3680.9472  -0.86699147 
-    1200    21815.003    45.317414            0    3681.1512    1.5988314 
-    1250    18655.437    572.41453            0     3681.654    10.064078 
-    1300    20780.781    217.36506            0    3680.8286    6.0538614 
-    1350    20558.971    254.36483            0    3680.8601   -3.6773951 
-    1400    21485.029    99.812917            0    3680.6511   -16.185473 
-    1450    21771.107     52.15961            0    3680.6775   -2.4756673 
-    1500    21520.948    93.503926            0    3680.3286    2.1023576 
-    1550    21351.418    121.68137            0    3680.2511    5.5159947 
-    1600    20778.805    216.92177            0    3680.0559    15.089188 
-    1650    21477.638    100.21836            0    3679.8247   -1.1045741 
-    1700    18501.339     596.4792            0    3680.0357   -15.679682 
-    1750    18563.642    587.34785            0    3681.2882     33.53221 
-    1800    19110.185    494.82342            0    3679.8543    18.024046 
-    1850    21364.191    119.23548            0    3679.9339    2.5291079 
-    1900    20146.626    322.14873            0    3679.9197    5.7313282 
-    1950    20692.672     231.2533            0    3680.0319    4.2977759 
-    2000    20943.904    189.11231            0    3679.7629   -22.645089 
-    2050    19668.052    401.83077            0    3679.8394    3.6251598 
-    2100    20280.434    299.76292            0    3679.8353    7.4807838 
-    2150    19181.841    483.52513            0    3680.4987    22.620829 
-    2200    21300.185    130.70136            0    3680.7321    4.7101928 
-    2250    20486.897    266.64698            0    3681.1299   -8.6459184 
-    2300    18653.018    572.26538            0    3681.1017   -5.2635489 
-    2350    21513.576    95.606125            0     3681.202   -9.3627078 
-    2400    21466.185      103.579            0    3681.2764    -29.55912 
-    2450    20100.274    332.24291            0    3682.2886    35.736349 
-    2500    20764.562    221.63964            0       3682.4   -12.465656 
-    2550    20437.187    276.06174            0    3682.2596   -22.421308 
-    2600    21466.269    104.56898            0    3682.2805   -10.080867 
-    2650    20819.865    212.38395            0    3682.3615    5.1305357 
-    2700     18565.57    588.39438            0     3682.656     22.28768 
-    2750    20789.153    217.36229            0    3682.2211    -8.051962 
-    2800    21045.639    174.58656            0     3682.193   -7.0803377 
-    2850    16845.227    874.90505            0    3682.4429    32.992098 
-    2900    19319.232    462.27119            0    3682.1432    7.9276373 
-    2950    20558.495    255.61185            0    3682.0277    1.9151653 
-    3000    20615.868    246.18886            0    3682.1668 -0.016805532 
-    3050    18695.136     566.5914            0    3682.4474   -7.3528355 
-    3100    19381.554    451.57712            0    3681.8361   -2.0887636 
-    3150    19080.633    502.00742            0    3682.1129    5.2518182 
-    3200    20969.083    187.13559            0    3681.9828    12.156446 
-    3250     20474.81     269.6876            0     3682.156    1.4067779 
-    3300    18836.313    542.79266            0    3682.1781   -9.1497216 
-    3350    21397.694    116.27473            0     3682.557   -6.4412585 
-    3400    20886.812    201.52507            0    3682.6604    6.3038335 
-    3450    21604.639     81.93055            0    3682.7038    2.3769444 
-    3500    20847.621    207.85705            0    3682.4605    -2.758021 
-    3550    20627.979    244.69999            0    3682.6964  -0.33497747 
-    3600    19265.519    471.27582            0    3682.1956    2.3506222 
-    3650    20351.848    290.65727            0    3682.6319    3.5445062 
-    3700    18507.473    597.72931            0    3682.3082   -21.283074 
-    3750    20344.017    291.60622            0    3682.2757    6.5366987 
-    3800    20672.372    237.18966            0     3682.585    6.7310703 
-    3850    21366.943    122.07461            0    3683.2318   -3.5870721 
-    3900    20890.294    201.69901            0    3683.4147   -9.5644117 
-    3950    20684.181    235.91733            0    3683.2809   -4.8913079 
-    4000    21499.086    100.67563            0    3683.8566    1.1969651 
-    4050    18549.152    590.04529            0    3681.5707   -9.1914883 
-    4100    18436.457     604.2601            0     3677.003    3.6486137 
-    4150    19332.655    462.03124            0    3684.1404   -11.280758 
-    4200    21199.837    150.66602            0    3683.9722   0.14505208 
-    4250    19088.228    501.77395            0    3683.1453    1.6869973 
-    4300    16617.942    913.86736            0    3683.5244    9.1792322 
-    4350    19765.761    388.52744            0     3682.821   -4.1982973 
-    4400    20181.964    320.06096            0    3683.7216    5.3685715 
-    4450     20132.04    328.29106            0     3683.631    6.3340995 
-    4500    21026.359    179.13858            0    3683.5317   -15.365253 
-    4550    19273.765    471.36221            0    3683.6564  -0.71397595 
-    4600     20064.71    339.29348            0    3683.4117   -4.8121056 
-    4650     19821.01    380.27685            0    3683.7784    11.857115 
-    4700    18724.367    563.42963            0    3684.1575    13.250333 
-    4750    20467.467     273.2046            0     3684.449   -1.8076823 
-    4800    19630.315    412.48507            0    3684.2042   -9.0412254 
-    4850    19483.424     437.0206            0     3684.258     11.22465 
-    4900    18504.179    600.28485            0    3684.3146   -5.2345686 
-    4950     21436.13    111.62139            0    3684.3098   -5.8197915 
-    5000    18022.817    680.57727            0      3684.38    19.238942 
-    5050    20750.212    226.15635            0     3684.525  -0.73974419 
-    5100    20569.533    255.21358            0    3683.4691   -18.332775 
-    5150    21447.046     109.3048            0    3683.8124   -2.5745966 
-    5200    18985.753    519.77191            0    3684.0641    9.7821968 
-    5250    21334.568    128.16597            0    3683.9273  -0.61310451 
-    5300    18836.476    544.54018            0    3683.9528   -17.979429 
-    5350    18574.391    587.20088            0    3682.9327    40.990206 
-    5400    21003.047    183.40176            0    3683.9096    6.1115776 
-    5450    20693.875    234.62783            0     3683.607    5.4472209 
-    5500    17673.479    738.99306            0    3684.5729   -28.621738 
-    5550    19265.837    472.34663            0    3683.3195    -6.609151 
-    5600    20800.947    217.12409            0    3683.9486    2.6477049 
-    5650    21746.371    59.453265            0    3683.8485    1.5272163 
-    5700     20448.97    275.57425            0     3683.736   -7.9864104 
-    5750    19776.152    387.64417            0    3683.6695   -16.604848 
-    5800    15779.293    1055.4995            0    3685.3817    20.365883 
-    5850    21008.009    182.52093            0    3683.8557   -6.6727217 
-    5900    21566.123    89.588216            0    3683.9421   -7.8944316 
-    5950    21591.695    85.284975            0    3683.9009   -2.4895203 
-    6000     17737.17    726.79112            0    3682.9861    1.5643841 
-    6050    16648.524    907.73295            0     3682.487    3.0853478 
-    6100    19917.439     363.6324            0    3683.2056     4.358303 
-    6150    21767.004    56.152017            0     3683.986   -8.8722559 
-    6200    17654.098    742.15421            0    3684.5039    9.7673482 
-    6250    20125.754    329.65218            0    3683.9445    5.5050658 
-    6300    20160.047    323.44453            0    3683.4524     4.852504 
-    6350    20509.459    264.29515            0    3682.5383    2.5335834 
-    6400    17199.686    817.09171            0    3683.7061    8.3428304 
-    6450    18748.366    558.82243            0    3683.5501   0.23782614 
-    6500    19133.519    494.28383            0    3683.2037    8.1586096 
-    6550    20311.228    297.30741            0    3682.5122   -1.7015056 
-    6600     18879.49    536.62652            0    3683.2082    5.0874769 
-    6650     18189.35    651.42447            0    3682.9828   -15.223564 
-    6700    19925.861    361.90598            0    3682.8828   0.26811015 
-    6750    19420.312    445.30915            0    3682.0278    5.5725626 
-    6800    19925.024    361.87412            0    3682.7114   -3.9763013 
-    6850    16196.938     985.7242            0    3685.2138    2.8265047 
-    6900    19779.752    386.51634            0    3683.1416    16.798629 
-    6950    21043.144    176.83133            0    3684.0221    -4.193188 
-    7000    18555.362    589.47043            0    3682.0307    14.516315 
-    7050    21225.883    147.54974            0    3685.1969   -13.466586 
-    7100    21234.667    145.92615            0    3685.0373   -5.1951121 
-    7150    21483.472    104.62556            0    3685.2042   -5.6904048 
-    7200    21014.278    182.97687            0    3685.3566     1.044649 
-    7250    18588.789    587.96259            0     3686.094    22.707132 
-    7300    20202.932    318.14401            0    3685.2994   -10.795766 
-    7350     18304.22     634.7344            0    3685.4377   -1.6801482 
-    7400    20967.579    190.67822            0    3685.2747  -0.94800692 
-    7450    20991.588    186.07163            0    3684.6696    -1.411476 
-    7500    19056.583    507.18197            0    3683.2791    3.2026014 
-    7550    18542.455    594.92944            0    3685.3386   -27.908724 
-    7600     19895.73    367.08589            0    3683.0409    4.1334366 
-    7650    20384.942    285.88041            0    3683.3707    -7.515362 
-    7700    20683.189    235.46294            0    3682.6611    10.876437 
-    7750    20729.325      228.204            0    3683.0915    3.8844308 
-    7800    21667.475    71.752748            0    3682.9985   -15.457992 
-    7850    19043.652    508.96807            0    3682.9101   -5.8335792 
-    7900    21079.827    169.61123            0    3682.9158   -1.3216223 
-    7950    20713.266    230.43917            0    3682.6502  -0.20026535 
-    8000     20606.41    248.06357            0    3682.4652    4.2844844 
-    8050    20284.503     302.0469            0    3682.7973    6.3402329 
-    8100    21859.537    39.514865            0    3682.7711   -13.302141 
-    8150    18495.181    600.26329            0    3682.7934    9.9318242 
-    8200    21458.549    105.63828            0    3682.0631   -7.7419285 
-    8250    18704.511    564.30958            0     3681.728    14.680489 
-    8300    20689.366    233.57049            0    3681.7982    2.3067527 
-    8350    20692.974    232.67005            0     3681.499    4.2743386 
-    8400    20240.086     307.5395            0    3680.8872    1.9694217 
-    8450    19075.969    501.34689            0    3680.6751    11.056078 
-    8500    21456.727    103.36067            0    3679.4818   -3.4512371 
-    8550     20393.16    279.84781            0    3678.7078    6.3282998 
-    8600     20898.88    195.43751            0    3678.5842   -14.393947 
-    8650    20297.482     295.3169            0    3678.2306  -0.96829147 
-    8700     21079.56    164.72934            0    3677.9893    -8.339122 
-    8750    21142.519    154.18527            0    3677.9384   -4.6169442 
-    8800    20143.871    320.23161            0    3677.5435    6.5710426 
-    8850    21030.065    172.88831            0    3677.8992    1.3973883 
-    8900    19814.648    375.22097            0    3677.6624    2.6996208 
-    8950    17392.382    778.87517            0    3677.6055    11.963975 
-    9000    19209.163    476.44659            0    3677.9738    8.7050034 
-    9050    20143.824    320.17051            0    3677.4745   -5.8044332 
-    9100     21400.78    110.99404            0    3677.7908   -3.0027429 
-    9150    21834.471    38.970732            0    3678.0493   -2.5838117 
-    9200    21344.715    120.55831            0    3678.0108    4.8187829 
-    9250    20998.277    178.31959            0    3678.0324   -1.2009012 
-    9300    21141.788     154.4658            0    3678.0971   -21.693564 
-    9350    21439.398    105.00432            0    3678.2374   -16.113694 
-    9400    21296.282    128.83877            0    3678.2191   -2.9990284 
-    9450    19050.623    503.10319            0     3678.207    15.622525 
-    9500    20845.847    203.77117            0     3678.079   -1.7504827 
-    9550    18808.956    543.38757            0    3678.2135   -2.6611868 
-    9600    20612.559    242.57373            0    3678.0002   -0.1650541 
-    9650    20522.637    257.28926            0    3677.7288    6.8876074 
-    9700    20970.074    182.75754            0    3677.7699   -4.5350279 
-    9750    18297.505    625.06808            0    3674.6522    32.429153 
-    9800    21042.472    170.78969            0    3677.8684    5.4901963 
-    9850    20444.092    270.84839            0     3678.197    6.9444494 
-    9900    21597.787    78.901871            0     3678.533    2.3445932 
-    9950    18376.854    616.35469            0    3679.1636     -8.55063 
-   10000    21490.054    97.234379            0    3678.9101  -0.36115606 
-Loop time of 3.38095 on 4 procs for 10000 steps with 81 atoms
-
-Performance: 25554.943 tau/day, 2957.748 timesteps/s
-98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.015775   | 0.043664   | 0.1024     |  16.8 |  1.29
-Neigh   | 0.012822   | 0.029038   | 0.061576   |  11.5 |  0.86
-Comm    | 0.18256    | 0.2516     | 0.30898    |  10.5 |  7.44
-Output  | 0.0063725  | 0.0069898  | 0.0081069  |   0.8 |  0.21
-Modify  | 2.9608     | 3.0171     | 3.0947     |   2.8 | 89.24
-Other   |            | 0.03255    |            |       |  0.96
-
-Nlocal:    20.25 ave 81 max 0 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-Nghost:    45.5 ave 82 max 12 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    218.75 ave 875 max 0 min
-Histogram: 3 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 875
-Ave neighs/atom = 10.8025
-Neighbor list builds = 993
-Dangerous builds = 945
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/rigid/log.20Apr18.rigid.poems2.g++.1 b/examples/rigid/log.20Apr18.rigid.poems2.g++.1
deleted file mode 100644
index 9062b78def..0000000000
--- a/examples/rigid/log.20Apr18.rigid.poems2.g++.1
+++ /dev/null
@@ -1,342 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Simple rigid body system
-
-units		lj
-atom_style	atomic
-
-pair_style	lj/cut 2.5
-
-read_data	data.rigid
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  81 atoms
-
-velocity 	all create 100.0 4928459
-
-# unconnected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 10 18
-#group		clump3 id <> 19 27
-#group		clump4 id <> 28 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 46 54
-#group		clump7 id <> 55 63
-#group		clump8 id <> 64 72
-#group		clump9 id <> 73 81
-
-#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 1 chain of connected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 9 18
-#group		clump3 id <> 18 27
-#group		clump4 id <> 27 36
-#group		clump5 id <> 36 45
-#group		clump6 id <> 45 54
-#group		clump7 id <> 54 63
-#group		clump8 id <> 63 72
-#group		clump9 id <> 72 81
-
-#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 2 chains of connected bodies
-
-group		clump1 id <> 1 9
-9 atoms in group clump1
-group		clump2 id <> 9 18
-10 atoms in group clump2
-group		clump3 id <> 18 27
-10 atoms in group clump3
-group		clump4 id <> 27 36
-10 atoms in group clump4
-group		clump5 id <> 37 45
-9 atoms in group clump5
-group		clump6 id <> 45 54
-10 atoms in group clump6
-group		clump7 id <> 54 63
-10 atoms in group clump7
-group		clump8 id <> 63 72
-10 atoms in group clump8
-group		clump9 id <> 72 81
-10 atoms in group clump9
-
-fix 1 all poems group clump1 clump2 clump3 clump4
-1 clusters, 4 bodies, 3 joints, 36 atoms
-fix 2 all poems group clump5 clump6 clump7 clump8 clump9
-1 clusters, 5 bodies, 4 joints, 45 atoms
-
-neigh_modify	exclude group clump1 clump1
-neigh_modify	exclude group clump2 clump2
-neigh_modify	exclude group clump3 clump3
-neigh_modify	exclude group clump4 clump4
-neigh_modify	exclude group clump5 clump5
-neigh_modify	exclude group clump6 clump6
-neigh_modify	exclude group clump7 clump7
-neigh_modify	exclude group clump8 clump8
-neigh_modify	exclude group clump9 clump9
-
-thermo		100
-
-#dump		1 all atom 50 dump.rigid.poems2
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 5
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 5
-
-timestep 	0.0001
-thermo		50
-run		10000
-WARNING: More than one fix poems (../fix_poems.cpp:363)
-WARNING: More than one fix poems (../fix_poems.cpp:363)
-WARNING: One or more atoms are time integrated more than once (../modify.cpp:279)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 18 18 18
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.854 | 3.854 | 3.854 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0    196.00047    3632.2347            0    3668.5311   -2.7403788 
-      50    12167.633    1505.5478            0    3758.8133    35.125973 
-     100    17556.978    512.66277            0    3763.9549    11.137534 
-     150    19579.586    138.04942            0    3763.8987   -29.953971 
-     200     19757.51    105.30542            0    3764.1036 -0.030645317 
-     250    18218.374    390.10747            0    3763.8804    13.711001 
-     300    19383.039    174.40688            0    3763.8586    5.7240693 
-     350    20125.986    36.972611            0    3764.0071    1.9559205 
-     400    18888.816    266.10975            0    3764.0386    9.6362168 
-     450    19307.656     188.2511            0     3763.743    1.9326206 
-     500    16331.197    738.56392            0    3762.8597    9.1715579 
-     550    19318.722    186.16172            0    3763.7027    3.0115336 
-     600    19455.268    161.20621            0    3764.0336   0.55208034 
-     650    18487.011    340.03216            0    3763.5528   -8.0359122 
-     700    17321.201    556.32471            0    3763.9545   -13.631751 
-     750    18979.187    249.04389            0    3763.7082   -2.6072455 
-     800    19342.456    181.85552            0    3763.7918    8.1918726 
-     850    19070.641    232.19342            0    3763.7936    7.3148472 
-     900    19478.873    156.65987            0    3763.8586    2.4284987 
-     950    19912.415    76.437437            0    3763.9216   -1.4667227 
-    1000    16003.749    802.39753            0    3766.0548    46.642188 
-    1050    19859.583     86.64176            0    3764.3424   -2.1961943 
-    1100    19229.575    203.61488            0    3764.6473   -10.632365 
-    1150      18821.6    279.15861            0      3764.64  -0.89495035 
-    1200    19392.695    173.59744            0    3764.8373    1.8508753 
-    1250    16459.624    717.32104            0    3765.3995    33.478127 
-    1300    19343.863    182.59043            0    3764.7874   0.75890736 
-    1350    20019.643    57.503573            0    3764.8448   0.31444671 
-    1400    18549.582    329.31436            0    3764.4221    10.738303 
-    1450    15163.926    957.47585            0    3765.6103    -17.92346 
-    1500    19223.688    204.15177            0    3764.0939   -1.6134528 
-    1550    18147.996    404.12677            0    3764.8668    8.4194783 
-    1600    18615.043    317.42469            0    3764.6548   -2.3288917 
-    1650    20120.654    38.887903            0     3764.935   -8.7620301 
-    1700    19450.907    162.98262            0    3765.0025    2.3254748 
-    1750    19374.631    177.37975            0    3765.2744    8.9328771 
-    1800    19424.404    167.93963            0    3765.0514  0.081227378 
-    1850    17936.203    442.85082            0    3764.3699    6.6011902 
-    1900    19982.595    64.406292            0    3764.8868     -2.95296 
-    1950    16215.781    761.92636            0    3764.8487    13.995056 
-    2000    18584.444     322.1163            0    3763.6801    7.1653369 
-    2050    20107.965    41.025841            0     3764.723  -0.31088772 
-    2100    20002.324    60.594786            0    3764.7288   -6.7919989 
-    2150    16949.875    626.57523            0    3765.4409      3.50855 
-    2200    20010.954    58.808121            0    3764.5403   -10.862112 
-    2250    18982.734    247.00818            0    3762.3293  -0.53817452 
-    2300    18401.254    354.88774            0    3762.5274    1.0921595 
-    2350    19390.545    172.93755            0    3763.7793   -3.3523777 
-    2400    16080.137    786.51156            0    3764.3147   -16.202632 
-    2450     18870.17    268.79443            0    3763.2704    11.201845 
-    2500    19688.736    117.49945            0    3763.5616    4.3786781 
-    2550    18869.811    268.97474            0    3763.3842   -5.6659314 
-    2600    17021.088    611.38597            0    3763.4393    6.3051835 
-    2650    18743.998     292.7827            0    3763.8934    2.4233167 
-    2700    19745.629    106.63088            0    3763.2289  -0.34816161 
-    2750    19527.584    147.21131            0    3763.4306   -1.6219417 
-    2800    18195.354    392.99533            0    3762.5053    24.376674 
-    2850    18550.094    327.77867            0    3762.9812    4.2654596 
-    2900    20174.105    27.269108            0    3763.2144    1.7109311 
-    2950    17744.679    476.70478            0    3762.7564   0.46336417 
-    3000    19161.715    214.56545            0    3763.0311    2.3774967 
-    3050     18357.87    363.54089            0    3763.1465    7.5885138 
-    3100     18851.02    272.19735            0    3763.1269    8.0560784 
-    3150    19586.208    136.32381            0    3763.3995   -10.118566 
-    3200    19300.444     189.2076            0    3763.3639   -12.590066 
-    3250    18680.955    303.88073            0    3763.3168   -1.0138975 
-    3300    18444.612    347.49752            0    3763.1664    8.9271155 
-    3350    19006.554    243.54359            0    3763.2757    4.7398999 
-    3400    17842.797    459.11352            0    3763.3351     28.63048 
-    3450    19801.317    96.103613            0    3763.0141    4.0933253 
-    3500    18599.338    318.61343            0    3762.9353    6.3657111 
-    3550    19737.266    107.84071            0      3762.89    1.3861757 
-    3600    19002.648     244.0525            0    3763.0613    8.7615304 
-    3650    19154.418    215.94396            0    3763.0584   -2.6243193 
-    3700    19036.117    237.84014            0     3763.047   -5.6841944 
-    3750    20045.863    50.759281            0    3762.9562   -2.1930939 
-    3800    19331.877    182.69303            0    3762.6703   0.57474959 
-    3850    18193.947    393.70074            0    3762.9502   -4.1144639 
-    3900    19675.638     119.2295            0    3762.8663   0.46172332 
-    3950    19506.743    150.36614            0    3762.7259    5.8020668 
-    4000    17985.008    431.80897            0     3762.366    10.755615 
-    4050    19947.208    68.962683            0    3762.8902   -2.0041629 
-    4100     19936.06    70.997196            0    3762.8602   -6.6295574 
-    4150    19011.006    242.10402            0    3762.6608   -12.682711 
-    4200    18108.183    409.44214            0    3762.8094  -0.42654932 
-    4250    18734.162    293.70086            0    3762.9901    8.8549986 
-    4300    16619.218    686.30953            0    3763.9426    43.405681 
-    4350    18818.184    277.95188            0    3762.8007    20.953883 
-    4400    18649.616    307.93211            0    3761.5647   -3.6011031 
-    4450    18626.995    313.23564            0    3762.6792   -2.5430627 
-    4500    18133.284    405.27778            0    3763.2934     3.057056 
-    4550    19985.929    61.792735            0    3762.8908    1.9540846 
-    4600    18664.305    306.02805            0    3762.3809    1.2395242 
-    4650    19822.408    92.030223            0    3762.8466   -1.0496216 
-    4700    19218.014    203.93895            0    3762.8305   0.74203538 
-    4750    19425.781    165.36374            0    3762.7306    4.0113982 
-    4800    18604.891    317.55244            0    3762.9026    16.671366 
-    4850    19648.156    124.29963            0    3762.8471       4.1073 
-    4900    18928.508    257.76023            0    3763.0394   -4.3547566 
-    4950    19795.841    97.135231            0    3763.0317   -10.401888 
-    5000    20150.671    31.452661            0    3763.0584    -3.352706 
-    5050    18694.789     300.8954            0    3762.8933    11.690808 
-    5100    16936.745    627.00902            0    3763.4434  -0.56880353 
-    5150     18446.99    346.49004            0    3762.5992     8.409244 
-    5200    18532.691    330.61677            0    3762.5966    10.358529 
-    5250    18342.743     366.3264            0    3763.1306   -9.5622676 
-    5300    20038.203    52.234825            0    3763.0131   -3.6974868 
-    5350    19337.092    182.06755            0    3763.0106 -0.045248915 
-    5400    19561.005     140.5518            0    3762.9602    1.3850963 
-    5450    19415.557    167.29181            0    3762.7654    2.6966013 
-    5500    18646.823    309.81657            0    3762.9319    7.4858844 
-    5550    19165.312    214.07271            0    3763.2046    1.4335924 
-    5600    18879.507    266.90953            0    3763.1146    7.8746695 
-    5650    19824.482    91.786842            0    3762.9872   -2.4395467 
-    5700     19699.85     114.8239            0    3762.9442    4.2779932 
-    5750    19535.697    145.24886            0    3762.9706    5.9452722 
-    5800    18275.446    378.66191            0    3763.0038    11.965062 
-    5850    19931.992    71.873259            0    3762.9828   -2.3097575 
-    5900    18528.705    331.64793            0    3762.8897   -18.312104 
-    5950    16535.446    701.02536            0    3763.1451   -14.797902 
-    6000    18678.807    303.76763            0     3762.806   -3.2732626 
-    6050    16661.525    677.73561            0    3763.2031    17.862761 
-    6100    18100.317    410.39139            0    3762.3019   -4.9765779 
-    6150    16487.861    707.08907            0    3760.3967     32.53899 
-    6200    16823.279    647.56578            0    3762.9878   -9.8237219 
-    6250    18418.096    351.89624            0    3762.6548   -2.0149855 
-    6300    18822.067    277.01314            0    3762.5811    5.3782716 
-    6350    19300.198    188.57243            0    3762.6832   -1.9316023 
-    6400    18425.789    350.70367            0    3762.8868    2.6884393 
-    6450    18708.506    297.50643            0    3762.0447   -13.808707 
-    6500    19528.099    146.10805            0    3762.4226   -1.5991505 
-    6550    19701.841    114.01327            0    3762.5023    4.4322487 
-    6600    18892.934    262.83827            0    3761.5297    10.689265 
-    6650    19041.669    235.52692            0    3761.7619   -1.1425512 
-    6700    19352.162    178.40501            0    3762.1388  -0.55130997 
-    6750    16177.653    765.61942            0     3761.481    4.6526477 
-    6800    19007.323    242.63753            0    3762.5122    3.6202242 
-    6850    14255.206    1125.4974            0    3765.3503    -31.10433 
-    6900    18481.408     340.4703            0    3762.9532   0.53246054 
-    6950    19227.569    202.33363            0    3762.9946  -0.94126626 
-    7000     18771.85    286.70279            0    3762.9714     3.151759 
-    7050     18689.51    301.95602            0    3762.9765    8.0511724 
-    7100    18599.258    318.83229            0    3763.1394  -0.86222116 
-    7150    17739.189    478.35458            0    3763.3896    11.976827 
-    7200    19492.829    153.62536            0    3763.4084   -8.6815909 
-    7250    18797.718    282.17319            0     3763.232   -19.897633 
-    7300    18353.871    364.09362            0    3762.9585    5.4538454 
-    7350    19040.053    237.34144            0    3763.2772    6.5600248 
-    7400    19452.586    160.98629            0     3763.317   -9.0542585 
-    7450    19033.845    238.45033            0    3763.2365    3.2654681 
-    7500    18137.358    404.80969            0    3763.5796   -7.2639486 
-    7550    16863.391    642.47654            0    3765.3267    31.248679 
-    7600    16374.538    731.74039            0    3764.0622    29.566291 
-    7650    19837.917    89.823014            0    3763.5114   -2.6605403 
-    7700    15593.154    876.08807            0    3763.7093   -9.7668717 
-    7750    16609.929    687.32679            0    3763.2396    1.0775966 
-    7800    17513.384    519.87756            0    3763.0968    3.4979836 
-    7850    20022.015    56.036771            0    3763.8173    -4.316185 
-    7900    17681.324    489.71547            0    3764.0347    5.1978443 
-    7950    18320.382    371.17872            0    3763.8421    6.1860655 
-    8000    20014.059    57.688322            0    3763.9956   -9.0623854 
-    8050    16203.013    762.61545            0    3763.1735    31.662714 
-    8100    18749.745    291.57889            0    3763.7538   -14.015057 
-    8150    19411.326    169.05845            0    3763.7485   -4.3392799 
-    8200    17994.991    431.56932            0    3763.9751    6.8158642 
-    8250    19325.923     185.1137            0    3763.9883    9.4923883 
-    8300    17354.302    550.33316            0    3764.0927    6.1636399 
-    8350    19900.895    78.431831            0    3763.7828   -4.5224196 
-    8400    17775.757    471.62915            0    3763.4361    12.949899 
-    8450    19909.324    76.935162            0    3763.8471    -2.950115 
-    8500    18601.933    318.79405            0    3763.5965    6.0173542 
-    8550    18685.758    303.59497            0    3763.9205    2.7277487 
-    8600    19297.521    190.12606            0     3763.741    4.8998933 
-    8650     17396.37    542.14326            0    3763.6932    39.937715 
-    8700    17134.714    590.99465            0    3764.0898     10.37328 
-    8750    14348.104    1106.7544            0    3763.8106   -3.8604659 
-    8800    19830.924    90.929138            0    3763.3225   0.26603444 
-    8850    18551.537    326.53747            0    3762.0072   -1.5369982 
-    8900    20040.322    52.066026            0    3763.2367   -12.667979 
-    8950    19314.585    186.54793            0    3763.3228  -0.64755555 
-    9000     19117.66    222.84553            0     3763.153    5.2990011 
-    9050    19072.016    231.26038            0    3763.1152   -1.6513695 
-    9100    19284.933    191.73976            0    3763.0237    -3.932358 
-    9150    17356.576    548.61808            0    3762.7988    1.3659056 
-    9200    18939.549    255.43703            0     3762.761    3.3037106 
-    9250    19621.961     129.5012            0    3763.1976        1.667 
-    9300    16898.033    633.79921            0    3763.0647    7.5941845 
-    9350     19662.75    122.10836            0    3763.3584   -3.3144828 
-    9400    16118.338    778.70243            0    3763.5799    9.8684537 
-    9450    17362.374    548.18847            0     3763.443    6.8117548 
-    9500    17873.057    453.37389            0    3763.1993    9.5651746 
-    9550    19282.305      192.593            0    3763.3901    -4.987757 
-    9600     18236.48    386.36263            0    3763.4886    8.8658343 
-    9650    17695.571     486.6517            0    3763.6093    12.471421 
-    9700    19044.003    237.04652            0    3763.7138   0.84430497 
-    9750    17937.299     442.4372            0    3764.1592     3.981475 
-    9800    18179.761    396.86987            0    3763.4923   -11.397273 
-    9850    19157.292     215.8937            0    3763.5404   -7.7648682 
-    9900    19719.066    111.98124            0    3763.6602    5.5378968 
-    9950    18103.235    410.65473            0    3763.1056    28.201374 
-   10000    18479.903    341.32548            0    3763.5297   -5.0581298 
-Loop time of 3.14341 on 1 procs for 10000 steps with 81 atoms
-
-Performance: 27486.104 tau/day, 3181.262 timesteps/s
-99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.12201    | 0.12201    | 0.12201    |   0.0 |  3.88
-Neigh   | 0.077269   | 0.077269   | 0.077269   |   0.0 |  2.46
-Comm    | 0.012246   | 0.012246   | 0.012246   |   0.0 |  0.39
-Output  | 0.0032048  | 0.0032048  | 0.0032048  |   0.0 |  0.10
-Modify  | 2.9172     | 2.9172     | 2.9172     |   0.0 | 92.80
-Other   |            | 0.01151    |            |       |  0.37
-
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    67 ave 67 max 67 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    599 ave 599 max 599 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 599
-Ave neighs/atom = 7.39506
-Neighbor list builds = 993
-Dangerous builds = 945
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/rigid/log.20Apr18.rigid.poems2.g++.4 b/examples/rigid/log.20Apr18.rigid.poems2.g++.4
deleted file mode 100644
index 812b101841..0000000000
--- a/examples/rigid/log.20Apr18.rigid.poems2.g++.4
+++ /dev/null
@@ -1,342 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Simple rigid body system
-
-units		lj
-atom_style	atomic
-
-pair_style	lj/cut 2.5
-
-read_data	data.rigid
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  81 atoms
-
-velocity 	all create 100.0 4928459
-
-# unconnected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 10 18
-#group		clump3 id <> 19 27
-#group		clump4 id <> 28 36
-#group		clump5 id <> 37 45
-#group		clump6 id <> 46 54
-#group		clump7 id <> 55 63
-#group		clump8 id <> 64 72
-#group		clump9 id <> 73 81
-
-#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 1 chain of connected bodies
-
-#group		clump1 id <> 1 9
-#group		clump2 id <> 9 18
-#group		clump3 id <> 18 27
-#group		clump4 id <> 27 36
-#group		clump5 id <> 36 45
-#group		clump6 id <> 45 54
-#group		clump7 id <> 54 63
-#group		clump8 id <> 63 72
-#group		clump9 id <> 72 81
-
-#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
-
-# 2 chains of connected bodies
-
-group		clump1 id <> 1 9
-9 atoms in group clump1
-group		clump2 id <> 9 18
-10 atoms in group clump2
-group		clump3 id <> 18 27
-10 atoms in group clump3
-group		clump4 id <> 27 36
-10 atoms in group clump4
-group		clump5 id <> 37 45
-9 atoms in group clump5
-group		clump6 id <> 45 54
-10 atoms in group clump6
-group		clump7 id <> 54 63
-10 atoms in group clump7
-group		clump8 id <> 63 72
-10 atoms in group clump8
-group		clump9 id <> 72 81
-10 atoms in group clump9
-
-fix 1 all poems group clump1 clump2 clump3 clump4
-1 clusters, 4 bodies, 3 joints, 36 atoms
-fix 2 all poems group clump5 clump6 clump7 clump8 clump9
-1 clusters, 5 bodies, 4 joints, 45 atoms
-
-neigh_modify	exclude group clump1 clump1
-neigh_modify	exclude group clump2 clump2
-neigh_modify	exclude group clump3 clump3
-neigh_modify	exclude group clump4 clump4
-neigh_modify	exclude group clump5 clump5
-neigh_modify	exclude group clump6 clump6
-neigh_modify	exclude group clump7 clump7
-neigh_modify	exclude group clump8 clump8
-neigh_modify	exclude group clump9 clump9
-
-thermo		100
-
-#dump		1 all atom 50 dump.rigid.poems2
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 5
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 5
-
-timestep 	0.0001
-thermo		50
-run		10000
-WARNING: More than one fix poems (../fix_poems.cpp:363)
-WARNING: More than one fix poems (../fix_poems.cpp:363)
-WARNING: One or more atoms are time integrated more than once (../modify.cpp:279)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 18 18 18
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.825 | 3.919 | 4.201 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0    196.00047    3632.2347            0    3668.5311   -2.7403788 
-      50    12167.633    1505.5478            0    3758.8133    35.125973 
-     100    17556.978    512.66277            0    3763.9549    11.137534 
-     150    19579.586    138.04942            0    3763.8987   -29.953971 
-     200     19757.51    105.30542            0    3764.1036 -0.030645317 
-     250    18218.374    390.10747            0    3763.8804    13.711001 
-     300    19383.039    174.40688            0    3763.8586    5.7240693 
-     350    20125.986    36.972611            0    3764.0071    1.9559205 
-     400    18888.816    266.10975            0    3764.0386    9.6362168 
-     450    19307.656     188.2511            0     3763.743    1.9326206 
-     500    16331.197    738.56392            0    3762.8597    9.1715579 
-     550    19318.722    186.16172            0    3763.7027    3.0115336 
-     600    19455.268    161.20621            0    3764.0336   0.55208034 
-     650    18487.011    340.03216            0    3763.5528   -8.0359122 
-     700    17321.201    556.32471            0    3763.9545   -13.631751 
-     750    18979.187    249.04389            0    3763.7082   -2.6072455 
-     800    19342.456    181.85552            0    3763.7918    8.1918726 
-     850    19070.641    232.19342            0    3763.7936    7.3148472 
-     900    19478.873    156.65987            0    3763.8586    2.4284987 
-     950    19912.415    76.437437            0    3763.9216   -1.4667227 
-    1000    16003.749    802.39753            0    3766.0548    46.642188 
-    1050    19859.583     86.64176            0    3764.3424   -2.1961943 
-    1100    19229.575    203.61488            0    3764.6473   -10.632365 
-    1150      18821.6    279.15861            0      3764.64  -0.89495035 
-    1200    19392.695    173.59744            0    3764.8373    1.8508753 
-    1250    16459.624    717.32104            0    3765.3995    33.478127 
-    1300    19343.863    182.59043            0    3764.7874   0.75890736 
-    1350    20019.643    57.503573            0    3764.8448   0.31444671 
-    1400    18549.582    329.31436            0    3764.4221    10.738303 
-    1450    15163.926    957.47584            0    3765.6103   -17.923459 
-    1500    19223.688    204.15172            0    3764.0939   -1.6134536 
-    1550    18147.996    404.12676            0    3764.8668    8.4194774 
-    1600    18615.043    317.42466            0    3764.6548   -2.3288957 
-    1650    20120.654    38.887927            0     3764.935   -8.7620244 
-    1700    19450.906    162.98284            0    3765.0025    2.3254707 
-    1750    19374.632    177.37954            0    3765.2744    8.9328778 
-    1800    19424.403    167.93971            0    3765.0514  0.081234023 
-    1850    17936.311    442.83087            0    3764.3699     6.600894 
-    1900    19982.596     64.40607            0    3764.8868   -2.9530102 
-    1950     16215.95    761.89459            0    3764.8482    13.994238 
-    2000     18584.39    322.12621            0      3763.68    7.1654863 
-    2050    20107.966    41.025634            0     3764.723  -0.31093298 
-    2100    20002.346    60.590652            0    3764.7288   -6.7919499 
-    2150    16949.612    626.62391            0     3765.441    3.5094585 
-    2200    20010.952    58.808492            0    3764.5403   -10.862255 
-    2250    18982.727    247.00941            0    3762.3292  -0.53796622 
-    2300    18401.351    354.86992            0    3762.5275    1.0919209 
-    2350      19390.5    172.94589            0    3763.7793   -3.3526281 
-    2400    16081.648    786.23133            0    3764.3143   -16.197875 
-    2450    18870.722    268.69249            0    3763.2707    11.192419 
-    2500     19687.71     117.6898            0     3763.562     4.387789 
-    2550    18872.129    268.54506            0    3763.3838   -5.6577428 
-    2600    17017.179    612.11028            0    3763.4397    6.3187623 
-    2650    18766.343    288.63699            0    3763.8856    2.3968008 
-    2700    19737.998    108.02069            0    3763.2054  -0.30752024 
-    2750    19508.797    150.69812            0    3763.4384   -1.6171126 
-    2800    18394.822    355.73011            0    3762.1787    21.193311 
-    2850    18561.108    325.76417            0    3763.0065    3.9331499 
-    2900    20124.042    36.554163            0    3763.2286   0.54133121 
-    2950    15727.607    849.90471            0    3762.4245    13.885323 
-    3000    17991.206    431.32693            0    3763.0317    9.9953567 
-    3050     18834.86    275.34241            0    3763.2795    9.1519305 
-    3100    18986.272    247.38123            0    3763.3575   -1.8754521 
-    3150    19979.145    63.575968            0    3763.4177   -11.800026 
-    3200    19953.846    68.376593            0    3763.5332   -6.7719573 
-    3250     15646.02    867.19502            0    3764.6062    16.433911 
-    3300    16946.252    625.14854            0    3763.3433    4.3975456 
-    3350    19006.567    243.97026            0    3763.7048    5.3392405 
-    3400    18082.133    414.87059            0    3763.4138    15.143954 
-    3450    18273.719    379.36162            0    3763.3836    5.4465204 
-    3500     19783.17    100.06678            0    3763.6167    1.9588505 
-    3550     19794.99    97.904519            0    3763.6435   -3.0349395 
-    3600    18357.708    363.98291            0    3763.5585   -2.1229788 
-    3650    19647.179    125.48949            0    3763.8559    1.2967845 
-    3700    18806.632    281.78709            0    3764.4967     5.125718 
-    3750    18982.747    248.97053            0     3764.294  -0.72036085 
-    3800    19597.926    135.04805            0    3764.2935   -3.2129291 
-    3850    18914.042     261.7133            0    3764.3136   -12.163282 
-    3900    18646.326    311.16482            0    3764.1881    5.1808943 
-    3950    18589.554    321.36256            0    3763.8726    4.9554103 
-    4000    17877.615    453.02456            0     3763.694    9.8457113 
-    4050    19440.059    164.15739            0    3764.1684   -5.4054486 
-    4100    18505.545    337.36023            0     3764.313    4.8468985 
-    4150    19220.307    204.85944            0    3764.1755   -6.5040818 
-    4200    19058.915    234.79578            0    3764.2245    3.1852011 
-    4250    19867.025    85.136186            0    3764.2149    5.6156236 
-    4300    16989.857    616.86564            0    3763.1355   -3.4041875 
-    4350     19782.09    100.85847            0    3764.2085    3.2531098 
-    4400     19879.56    82.559198            0    3763.9593    1.6340828 
-    4450     19409.95    169.46676            0    3763.9019    -1.824265 
-    4500    19742.977    107.72786            0    3763.8347  -0.72711698 
-    4550    17166.529    585.04113            0     3764.028  -0.38806102 
-    4600    19604.596    133.61426            0    3764.0949   -5.2712214 
-    4650    18865.608    270.23956            0    3763.8707    1.5751363 
-    4700    20190.139    25.270932            0    3764.1855   -10.159924 
-    4750    20043.487     52.56327            0    3764.3201    -4.713579 
-    4800    19361.931    178.70311            0     3764.246    4.2460799 
-    4850    19460.365    160.29083            0    3764.0621    3.5079181 
-    4900     18252.89    384.16194            0    3764.3268    4.1870604 
-    4950    19516.947    150.07365            0    3764.3231    4.0238527 
-    5000    19041.145    238.27335            0    3764.4113    8.2280019 
-    5050    19519.408    149.66793            0    3764.3731 -0.088904966 
-    5100    18087.848    415.34004            0    3764.9416    8.9482852 
-    5150    19392.463    173.43121            0     3764.628   -6.6722716 
-    5200    19683.968    119.46663            0    3764.6458   -2.0330852 
-    5250    19675.404    121.09497            0    3764.6884    3.0627309 
-    5300     18627.53    314.96107            0    3764.5038    5.2692141 
-    5350    20022.616    56.725346            0    3764.6172   -7.7034469 
-    5400      19353.4     180.6482            0    3764.6112   -2.3897589 
-    5450    16966.649    622.29693            0    3764.2689    6.3601638 
-    5500    17584.292    508.42495            0    3764.7753     5.949219 
-    5550     19169.69    214.76864            0    3764.7113    3.3778997 
-    5600    19491.814    155.19149            0    3764.7866  -0.20031164 
-    5650    19079.585    231.70394            0    3764.9605    7.3017226 
-    5700    19686.564       119.34            0         3765   0.98980357 
-    5750    19639.909    127.89886            0     3764.919    2.3982612 
-    5800    19474.109    158.55418            0    3764.8706    3.4940447 
-    5850    16957.663    624.72623            0    3765.0342    10.739819 
-    5900    19950.579    70.027987            0    3764.5796    4.6925057 
-    5950    19759.601    105.38621            0    3764.5716    3.0958319 
-    6000    19129.749    221.96406            0    3764.5102   -1.0612997 
-    6050    16087.951    785.36134            0    3764.6115   -15.255986 
-    6100    18851.976    272.98306            0    3764.0896    4.9341766 
-    6150     19532.23     147.4113            0    3764.4909    1.3206073 
-    6200    18051.604    421.79367            0    3764.6833     2.587863 
-    6250     18922.77    259.81211            0    3764.0287    10.363589 
-    6300    18402.504    356.81518            0    3764.6864    8.3589218 
-    6350    19315.369    187.64457            0    3764.5647    1.0716382 
-    6400     19700.59    116.50438            0    3764.7618     2.165408 
-    6450    19596.362    135.79675            0    3764.7527    1.6466783 
-    6500    20217.677    20.884953            0    3764.8993   -3.5893732 
-    6550    18278.991    379.95981            0    3764.9582    7.0433091 
-    6600    20142.999    34.761283            0    3764.9462    1.7083655 
-    6650    20185.488    26.899017            0    3764.9524  -0.65741058 
-    6700    17942.962    441.72909            0    3764.4999    -3.691039 
-    6750    16435.681     720.9581            0    3764.6028   -9.4583249 
-    6800     17825.95    463.58979            0    3764.6916    6.1557503 
-    6850     19440.75    164.52796            0    3764.6669   -11.921703 
-    6900    18824.905     278.4897            0    3764.5832   -1.4668322 
-    6950     19069.14    233.25502            0    3764.5772    6.8149838 
-    7000    18983.209    249.29193            0     3764.701    15.140158 
-    7050    15623.103    872.33684            0    3765.5041    7.3268767 
-    7100    20090.283    44.006184            0     3764.429    2.6959947 
-    7150     15535.27    888.39683            0    3765.2987   -4.1285644 
-    7200    19425.575    167.19079            0    3764.5195    4.9190857 
-    7250    18684.497    304.24754            0    3764.3396    7.3927682 
-    7300    17632.518    498.82765            0    3764.1087    5.1101854 
-    7350    18969.793    251.66375            0    3764.5884   -3.7865508 
-    7400    17700.626    486.89931            0    3764.7931   -8.8531288 
-    7450    17897.361    450.31562            0    3764.6417   -3.6095062 
-    7500    18795.228    284.03842            0    3764.6361    8.3567203 
-    7550    18658.285    309.34015            0    3764.5781    0.4306691 
-    7600    19230.039     203.5385            0    3764.6567   0.80253549 
-    7650    19513.551    150.86999            0    3764.4906   0.32848159 
-    7700    19494.849    154.28788            0    3764.4452   -4.2498631 
-    7750    20011.058    58.832118            0    3764.5835   0.54896615 
-    7800    19241.055    201.57548            0    3764.7338  -0.26200786 
-    7850    19512.742    151.11436            0    3764.5851    2.7308876 
-    7900    19688.007    118.68023            0    3764.6075   0.80454178 
-    7950    16891.645    636.56823            0    3764.6507   -25.839253 
-    8000    19425.572    167.33746            0    3764.6657   -2.8744687 
-    8050    19444.916    163.57779            0    3764.4882    8.5388183 
-    8100    19540.338    145.77731            0    3764.3585    5.5606379 
-    8150    17997.991    429.85951            0    3762.8208    20.179487 
-    8200    19463.886    159.50302            0    3763.9264   0.19577123 
-    8250    19517.733    149.53457            0    3763.9295    2.3294314 
-    8300    19236.221    201.66041            0    3763.9236    5.8204747 
-    8350    18662.608    308.25544            0    3764.2939    5.4422482 
-    8400    19030.046    239.38211            0    3763.4647    3.7940188 
-    8450    18058.148    419.70672            0    3763.8081    4.4010713 
-    8500    16866.001    641.00564            0    3764.3392   -19.894815 
-    8550    19484.364    155.35821            0    3763.5737    4.2635496 
-    8600    18562.912    326.16323            0    3763.7395    11.288271 
-    8650    19256.188    197.67578            0    3763.6365   -4.1872666 
-    8700    19653.945    124.27148            0    3763.8909   -7.4888761 
-    8750    19590.834    136.12748            0    3764.0596    1.0605539 
-    8800    19065.424    233.46882            0    3764.1029    1.8432113 
-    8850    18961.297    252.69734            0    3764.0486    6.7414134 
-    8900    19879.711    82.777822            0    3764.2058   0.12631864 
-    8950    18689.712    302.80546            0    3763.8632    5.1584036 
-    9000    19114.403    224.23511            0    3763.9393   -4.5856366 
-    9050      17626.3    500.49518            0    3764.6248   -3.9436947 
-    9100    18552.501    328.86032            0    3764.5087  -0.32810034 
-    9150    15039.846    979.12961            0    3764.2862    16.571104 
-    9200    19146.923    218.64681            0    3764.3733   -4.6264398 
-    9250    17606.161    503.14852            0    3763.5487     13.13675 
-    9300    18002.328    430.47362            0    3764.2381    4.9326117 
-    9350    19980.452    64.168644            0    3764.2524   -5.6111349 
-    9400    18953.798    254.44926            0    3764.4118    2.3662302 
-    9450    17151.075    588.59472            0    3764.7197    4.3116983 
-    9500    19128.858    221.38199            0     3763.763    3.6641306 
-    9550    18217.322    390.53199            0    3764.1101    1.8537154 
-    9600    19094.478    227.98925            0    3764.0038     3.972665 
-    9650    19577.649    138.55507            0    3764.0456    4.0408247 
-    9700    19331.361    184.31942            0    3764.2011   -4.7996733 
-    9750    18999.798    245.87295            0    3764.3541  -0.26741334 
-    9800    18987.181    248.37105            0    3764.5157    6.1717595 
-    9850     20094.73    43.013036            0    3764.2593   -8.9770288 
-    9900    18988.815    247.63984            0     3764.087   -6.3990966 
-    9950    18290.808    377.34967            0    3764.5363    7.7453525 
-   10000    19558.326    142.47047            0    3764.3828    3.4110829 
-Loop time of 3.53831 on 4 procs for 10000 steps with 81 atoms
-
-Performance: 24418.438 tau/day, 2826.208 timesteps/s
-98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0096724  | 0.035349   | 0.063574   |  10.3 |  1.00
-Neigh   | 0.0091243  | 0.022333   | 0.037608   |   6.9 |  0.63
-Comm    | 0.18063    | 0.2494     | 0.33202    |  12.6 |  7.05
-Output  | 0.0060797  | 0.0065744  | 0.0074706  |   0.7 |  0.19
-Modify  | 3.0943     | 3.1895     | 3.2828     |   4.0 | 90.14
-Other   |            | 0.0352     |            |       |  0.99
-
-Nlocal:    20.25 ave 36 max 0 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Nghost:    17.5 ave 37 max 1 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    154.25 ave 393 max 0 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-
-Total # of neighbors = 617
-Ave neighs/atom = 7.61728
-Neighbor list builds = 993
-Dangerous builds = 948
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/rigid/log.20Apr18.rigid.tnr.g++.1 b/examples/rigid/log.20Apr18.rigid.tnr.g++.1
deleted file mode 100644
index 097fd132aa..0000000000
--- a/examples/rigid/log.20Apr18.rigid.tnr.g++.1
+++ /dev/null
@@ -1,458 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Tethered nanorods
-
-atom_style	molecular
-
-read_data	data.rigid.tnr
-  orthogonal box = (-31.122 -31.122 -31.122) to (31.122 31.122 31.122)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  5600 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  1600 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-
-# Specify bond parameters
-
-bond_style	fene
-bond_coeff	1 30.0 1.5 1.0 1.0
-
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-# Specify initial velocities
-
-velocity	all create 1.4 109345
-
-# Specify rigid components
-
-group		rods type 2
-4000 atoms in group rods
-group		tethers	subtract all rods
-1600 atoms in group tethers
-
-neigh_modify 	exclude	molecule/intra rods delay 0 every 1
-
-# Specify the pair potentials
-
-pair_style	lj/cut	2.5
-pair_modify	shift	yes
-pair_coeff	* * 1.0	1.0 1.122
-pair_coeff	2 2 1.0 1.0 2.5
-
-# Specify output
-
-thermo	100
-thermo_style custom step temp pe etotal press enthalpy lx ly lz pxx pyy pzz
-thermo_modify flush yes lost warn
-
-timestep	0.005
-
-fix	1	rods	rigid molecule
-800 rigid bodies with 4000 atoms
-fix	2	tethers	nve
-fix	3	all	langevin 1.4 1.4 1.0 437624
-
-run	5000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 45 45 45
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.769 | 7.769 | 7.769 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-       0    1.3963219    5.9478449    7.0445809  0.048565317      9.13595       62.244       62.244       62.244 0.0091983659   0.11850113  0.017996458 
-     100    1.3418512    5.9671777    7.0211299  0.025020362    8.0985822       62.244       62.244       62.244   0.02036076  0.038265078  0.016435248 
-     200    1.3730638    5.9750802    7.0535483 0.0053287535    7.2830205       62.244       62.244       62.244 -0.00054924195 0.0092396988 0.0072958036 
-     300     1.376262    5.9821642    7.0631443 0.0055536521    7.3023013       62.244       62.244       62.244 0.0033577704 0.0069111861 0.0063919998 
-     400    1.3782954    5.9983628      7.08094 0.0020507385     7.169251       62.244       62.244       62.244 -0.0060862717 0.0098998072 0.0023386801 
-     500     1.386863    6.0053312    7.0946377 -0.0009847031    7.0522334       62.244       62.244       62.244 -0.0038708372 0.0005697804 0.00034694745 
-     600    1.4069849    6.0035719    7.1086832 0.0047883912    7.3148858       62.244       62.244       62.244  0.001069365 0.0078059505 0.0054898581 
-     700    1.4423187    5.9982171    7.1310812  0.012141001    7.6539093       62.244       62.244       62.244 0.0094765272  0.011007593  0.015938883 
-     800    1.4303878    5.9968168    7.1203098 -0.00081349095    7.0852784       62.244       62.244       62.244 0.0011153812 0.00041597298 -0.0039718271 
-     900    1.4140538    5.9838168    7.0944803   0.00207609     7.183883       62.244       62.244       62.244 0.00043409671 0.0022778944 0.0035162788 
-    1000    1.3906567     5.988119    7.0804053 0.0022005856    7.1751692       62.244       62.244       62.244 0.0077268425 -0.0022042977 0.0010792119 
-    1100    1.3921992    5.9892203    7.0827181 0.0035041977    7.2336194       62.244       62.244       62.244 -0.0037576823 0.0040827951   0.01018748 
-    1200    1.3968803    5.9795846    7.0767592 -0.0031072146    6.9429532       62.244       62.244       62.244 -0.0077387449 0.0033056124 -0.0048885115 
-    1300    1.3755848    5.9739757    7.0544239 0.0092247106    7.4516677       62.244       62.244       62.244 0.0092788748  0.010737194 0.0076580625 
-    1400    1.3847985    5.9703631    7.0580481 0.0071703598    7.3668254       62.244       62.244       62.244 0.0080485848  0.012260474  0.001202021 
-    1500    1.4190051     5.956946    7.0714985 0.0035992903    7.2264948       62.244       62.244       62.244 -0.0055125437   0.01038369 0.0059267242 
-    1600    1.3980036    5.9671666    7.0652236 0.0061819851    7.3314385       62.244       62.244       62.244 0.0062429141 0.0035120077 0.0087910334 
-    1700    1.4276062    5.9610381    7.0823462  0.007832375    7.4196319       62.244       62.244       62.244 0.0083316819 0.0058394292  0.009326014 
-    1800    1.4112769    5.9630595    7.0715419 0.0068032101    7.3645087       62.244       62.244       62.244 0.0065502252 0.0062317255 0.0076276797 
-    1900    1.4276973    5.9489341    7.0703139  0.008397746    7.4319462       62.244       62.244       62.244    0.0148941 0.0032963108 0.0070028268 
-    2000    1.4056158    5.9564624    7.0604983 0.0090470732    7.4500926       62.244       62.244       62.244  0.011871718 0.0086681344 0.0066013673 
-    2100    1.3924778    5.9483611    7.0420778 0.0088893819    7.4248814       62.244       62.244       62.244  0.010247454 0.0097830093 0.0066376825 
-    2200    1.3760401    5.9435877    7.0243935 -0.0042972782    6.8393397       62.244       62.244       62.244 -0.0050064436 -0.0046216998 -0.0032636911 
-    2300    1.4191937    5.9334036    7.0481042 0.0047000032    7.2505006       62.244       62.244       62.244 0.0057709635 0.0044949165 0.0038341296 
-    2400    1.4213285    5.9472214    7.0635988  0.010197674    7.5027414       62.244       62.244       62.244 0.0083738261 0.0090537939  0.013165402 
-    2500    1.4153808    5.9421661    7.0538718 0.00015906308    7.0607216       62.244       62.244       62.244 0.0023516211 -0.0019814987 0.00010706678 
-    2600    1.4014223    5.9431386    7.0438807 0.0070733749    7.3484816       62.244       62.244       62.244 0.0054143871  0.010055843 0.0057498948 
-    2700    1.4138077    5.9369067     7.047377 0.0024268843    7.1518859       62.244       62.244       62.244 0.0052918436 0.0014960354 0.00049277379 
-    2800     1.432192    5.9347676    7.0596777 0.0077670448    7.3941501       62.244       62.244       62.244  0.012668421 0.0059113032 0.0047214106 
-    2900    1.3938659     5.921023      7.01583 0.0053751201    7.2472989       62.244       62.244       62.244 0.0020490372 0.0076566097 0.0064197134 
-    3000     1.390221    5.9205014    7.0124455 -0.0010750973    6.9661486       62.244       62.244       62.244 0.0019519817 -0.0041878875 -0.0009893861 
-    3100    1.4205722    5.9178284    7.0336117 0.0098735467    7.4587964       62.244       62.244       62.244 0.0040973349  0.012167268  0.013356037 
-    3200     1.398418    5.9150349    7.0134173 0.0061541837     7.278435       62.244       62.244       62.244 0.0067621825  0.011952562 -0.00025219321 
-    3300    1.4269859    5.9148727    7.0356937  0.006062387    7.2967584       62.244       62.244       62.244  0.012956233 -2.480748e-05  0.005255736 
-    3400     1.434286    5.9356705    7.0622253 0.0002731615    7.0739885       62.244       62.244       62.244 -0.00054959543 0.0052526331 -0.0038835532 
-    3500    1.4416808    5.9228153    7.0551783 0.0083383068     7.414251       62.244       62.244       62.244 0.0073994017 0.0030328023  0.014582716 
-    3600    1.4136063    5.9039442    7.0142562 0.0019711852    7.0991414       62.244       62.244       62.244 -0.00032317688 0.0035029725 0.0027337599 
-    3700     1.433382      5.91201    7.0378548 0.0071286927    7.3448378       62.244       62.244       62.244 0.0064768108 0.0046765006  0.010232767 
-    3800    1.3659481    5.9032872    6.9761663 -0.0054034056    6.7434793       62.244       62.244       62.244 -0.007394357 -0.0082833116 -0.00053254832 
-    3900     1.396322    5.9043001    7.0010362  0.005331024    7.2306062       62.244       62.244       62.244 0.0081855301 0.0048806234 0.0029269184 
-    4000     1.412548     5.906066    7.0155468 0.0028450132    7.1380616       62.244       62.244       62.244 0.0052588387 0.00072412871 0.0025520721 
-    4100    1.3943949    5.9040868    6.9993093 0.0058053193    7.2493039       62.244       62.244       62.244 0.0060583148 0.0024781972 0.0088794459 
-    4200    1.4249768    5.8906369    7.0098798 0.0030209006    7.1399689       62.244       62.244       62.244 0.0061742017 -0.0020795681 0.0049680681 
-    4300    1.3899827    5.8966327    6.9883897 0.0057278096    7.2350464       62.244       62.244       62.244 0.0049035059 0.0021868561  0.010093067 
-    4400    1.4414361    5.8986386    7.0308094 0.0050941357    7.2501783       62.244       62.244       62.244 0.0057971901 0.0037941986 0.0056910185 
-    4500    1.4093099    5.8922729    6.9992103 0.0012182325    7.0516711       62.244       62.244       62.244 0.0042896986 0.0014287789  -0.00206378 
-    4600    1.3779677     5.892894    6.9752138  0.002057623    7.0638213       62.244       62.244       62.244 0.0029271755 -0.0031752166 0.0064209102 
-    4700    1.4086418    5.9096898    7.0161024 -0.00052853259    6.9933422       62.244       62.244       62.244 -0.001862386 -0.0018129293 0.0020897176 
-    4800       1.4394    5.9146102    7.0451818  0.015326441    7.7051846       62.244       62.244       62.244  0.014754936  0.017967956  0.013256431 
-    4900    1.4496219    5.9074613    7.0460616 0.0075297868     7.370317       62.244       62.244       62.244 0.0092907193 0.0079794674 0.0053191736 
-    5000    1.4280291    5.9106136     7.032254 -0.0013249587    6.9751972       62.244       62.244       62.244 -0.0044875103 0.0020723667 -0.0015597324 
-Loop time of 6.73744 on 1 procs for 5000 steps with 5600 atoms
-
-Performance: 320596.735 tau/day, 742.122 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.52635    | 0.52635    | 0.52635    |   0.0 |  7.81
-Bond    | 0.26628    | 0.26628    | 0.26628    |   0.0 |  3.95
-Neigh   | 1.5927     | 1.5927     | 1.5927     |   0.0 | 23.64
-Comm    | 0.16011    | 0.16011    | 0.16011    |   0.0 |  2.38
-Output  | 0.0040634  | 0.0040634  | 0.0040634  |   0.0 |  0.06
-Modify  | 4.0145     | 4.0145     | 4.0145     |   0.0 | 59.58
-Other   |            | 0.1735     |            |       |  2.57
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1352 ave 1352 max 1352 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    5257 ave 5257 max 5257 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 5257
-Ave neighs/atom = 0.93875
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 766
-Dangerous builds = 0
-
-# Replace fix rigid and fix langevin with new ones
-
-unfix	1
-unfix	3
-
-fix	3	tethers langevin 1.4 1.4 1.0 198450
-
-# Test different integrators for rods
-
-fix	1 rods	rigid/nve molecule
-800 rigid bodies with 4000 atoms
-print 	"rigid/nve"
-rigid/nve
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    5000    1.4280291    5.9106136     7.032254   0.02814128    8.2441024       62.244       62.244       62.244  0.019873502  0.039656784  0.024893554 
-    5100    1.4435659    5.8998386    7.0336823 0.0063929319    7.3089813       62.244       62.244       62.244 0.0089837757 0.0052773116 0.0049177085 
-    5200    1.3970069    5.9117164    7.0089904 0.0065245686     7.289958       62.244       62.244       62.244  0.008502047 0.0043872479 0.0066844108 
-    5300     1.433167    5.8796669    7.0053428 0.0076478538    7.3346825       62.244       62.244       62.244 0.0061384889 0.0070193789 0.0097856935 
-    5400    1.4191626    5.8830864    6.9977626 0.0026371359    7.1113257       62.244       62.244       62.244 0.0024097043 -0.00082200506 0.0063237084 
-    5500     1.409376    5.8753367     6.982326  0.010180815    7.4207427       62.244       62.244       62.244  0.010429709 0.0081711083  0.011941628 
-    5600    1.4005678     5.882485    6.9825559 0.00036705268    6.9983623       62.244       62.244       62.244 -0.0034485466 0.0031079204 0.0014417843 
-    5700    1.4116833    5.8842566    6.9930582 0.00053413233    7.0160595       62.244       62.244       62.244 0.0016669624 -0.0030741941 0.0030096286 
-    5800     1.409035     5.894902    7.0016235 4.7080816e-05     7.003651       62.244       62.244       62.244 0.0018596854 -5.3937508e-05 -0.0016645054 
-    5900    1.4150353    5.8928576     7.004292 0.0063467985    7.2776043       62.244       62.244       62.244 0.0055755751 0.0090839847 0.0043808358 
-    6000    1.4374163    5.8778036    7.0068171 0.0031890481    7.1441472       62.244       62.244       62.244 0.0067647375 0.0015458579 0.0012565488 
-Loop time of 1.41082 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 306205.780 tau/day, 708.810 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.149      | 0.149      | 0.149      |   0.0 | 10.56
-Bond    | 0.053873   | 0.053873   | 0.053873   |   0.0 |  3.82
-Neigh   | 0.35532    | 0.35532    | 0.35532    |   0.0 | 25.19
-Comm    | 0.032433   | 0.032433   | 0.032433   |   0.0 |  2.30
-Output  | 0.00080752 | 0.00080752 | 0.00080752 |   0.0 |  0.06
-Modify  | 0.78447    | 0.78447    | 0.78447    |   0.0 | 55.60
-Other   |            | 0.03491    |            |       |  2.47
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1347 ave 1347 max 1347 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    5592 ave 5592 max 5592 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 5592
-Ave neighs/atom = 0.998571
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 153
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nvt molecule temp 1.4 1.4 1.0
-800 rigid bodies with 4000 atoms
-print 	"rigid/nvt"
-rigid/nvt
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    6000    1.4374163    5.8778036    7.0068171 -0.0020672233    6.9177963       62.244       62.244       62.244  0.034504923 -0.030001164 -0.010705429 
-    6100    1.4393824    5.8852696    7.0158274 0.0055792227    7.2560855       62.244       62.244       62.244 0.0072602759 0.0074870643 0.0019903278 
-    6200    1.4265711    5.8853532    7.0058484 0.0019366613    7.0892468       62.244       62.244       62.244 -0.0035411799 0.0047319741 0.0046191897 
-    6300    1.4030198    5.8824874    6.9844843 0.0055760353    7.2246052       62.244       62.244       62.244 0.0031273033 0.0080002386  0.005600564 
-    6400    1.3592064    5.8924876    6.9600714 0.0051450348    7.1816321       62.244       62.244       62.244 0.0042848197 0.0044005693 0.0067497155 
-    6500    1.3946028    5.8798014    6.9751872 0.0051168754    7.1955353       62.244       62.244       62.244 0.0020473208 0.0038175566 0.0094857487 
-    6600    1.3652122    5.8985637    6.9708648 0.0065480579    7.2528439       62.244       62.244       62.244 0.0056940621 0.0062242398 0.0077258719 
-    6700    1.3808929    5.9047739    6.9893913 0.0074053719     7.308289       62.244       62.244       62.244 0.0049554161  0.012378296 0.0048824031 
-    6800    1.4140879     5.891133    7.0018233  0.001592636     7.070407       62.244       62.244       62.244 -9.4421917e-05 -0.00029455229 0.0051668821 
-    6900    1.4364121    5.8904988    7.0187235   0.00647853    7.2977086       62.244       62.244       62.244 0.0024458531 0.0073279625 0.0096617742 
-    7000    1.4370567    5.8900758    7.0188069 0.00098705898    7.0613127       62.244       62.244       62.244 0.0024436343 -0.0011032284  0.001620771 
-Loop time of 1.44111 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 299769.942 tau/day, 693.912 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.14928    | 0.14928    | 0.14928    |   0.0 | 10.36
-Bond    | 0.053511   | 0.053511   | 0.053511   |   0.0 |  3.71
-Neigh   | 0.35946    | 0.35946    | 0.35946    |   0.0 | 24.94
-Comm    | 0.033026   | 0.033026   | 0.033026   |   0.0 |  2.29
-Output  | 0.00081658 | 0.00081658 | 0.00081658 |   0.0 |  0.06
-Modify  | 0.80995    | 0.80995    | 0.80995    |   0.0 | 56.20
-Other   |            | 0.03506    |            |       |  2.43
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1351 ave 1351 max 1351 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    5541 ave 5541 max 5541 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 5541
-Ave neighs/atom = 0.989464
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 153
-Dangerous builds = 0
-unfix	1
-
-compute	myTemp all temp
-
-fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 iso 0.05 0.05 1.0         dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/npt iso"
-rigid/npt iso
-fix_modify 1 temp myTemp
-
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    7000    1.4370567    5.8900758    7.0188069 -0.0033603557    6.8740999       62.244       62.244       62.244 -0.094745193   0.10894465 -0.024280521 
-    7100     1.485379     5.864626    7.0313116  0.018625962    7.6475425    57.008236    57.008236    57.008236  0.023222208  0.015549704  0.017105973 
-    7200    1.5367991    5.8157585    7.0228319  0.019179143    7.4580039    50.273593    50.273593    50.273593  0.019479917  0.008906575  0.029150938 
-    7300    1.5692285     5.785208    7.0177529  0.026450106    7.4560147     45.27218     45.27218     45.27218  0.029705272  0.019989987  0.029655059 
-    7400    1.5961415    5.7633541    7.0170377  0.049085262    7.6510208    41.665015    41.665015    41.665015  0.045248259  0.047932005  0.054075524 
-    7500    1.5805951    5.7223115    6.9637843  0.022024393    7.1962354    38.952791    38.952791    38.952791  0.017398546 0.0097043058  0.038970326 
-    7600    1.5679583    5.6928914    6.9244386   0.05023237    7.3717858    36.808633    36.808633    36.808633  0.029561593  0.080716323  0.040419195 
-    7700    1.5214637     5.661404    6.8564322  0.038992847    7.1614257     35.25044     35.25044     35.25044  0.013961981  0.064676103  0.038340457 
-    7800    1.5313649    5.6185256    6.8213307  0.053950562    7.1990319    33.971403    33.971403    33.971403  0.036690654  0.066107903  0.059053129 
-    7900    1.5272701    5.5732963    6.7728851  0.067896988    7.2131774    33.115109    33.115109    33.115109  0.046486851  0.073976177  0.083227936 
-    8000    1.4754162    5.5525858    6.7114461  0.036458901    6.9347086     32.48878     32.48878     32.48878  0.066065978  0.031260775   0.01204995 
-Loop time of 3.09124 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 139749.554 tau/day, 323.494 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.38334    | 0.38334    | 0.38334    |   0.0 | 12.40
-Bond    | 0.079063   | 0.079063   | 0.079063   |   0.0 |  2.56
-Neigh   | 1.3711     | 1.3711     | 1.3711     |   0.0 | 44.35
-Comm    | 0.07249    | 0.07249    | 0.07249    |   0.0 |  2.35
-Output  | 0.00079656 | 0.00079656 | 0.00079656 |   0.0 |  0.03
-Modify  | 1.1412     | 1.1412     | 1.1412     |   0.0 | 36.92
-Other   |            | 0.04324    |            |       |  1.40
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    2922 ave 2922 max 2922 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    24639 ave 24639 max 24639 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 24639
-Ave neighs/atom = 4.39982
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 335
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 x 0.05 0.05 1.0 dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/npt x"
-rigid/npt x
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.784 | 7.784 | 7.784 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    8000    1.4754162    5.5525858    6.7114461 -0.036273091    6.4893215     32.48878     32.48878     32.48878  -0.12886524  -0.13731772   0.15736368 
-    8100    1.4842494    5.5359706     6.701769  0.040754696    6.9494736    32.246136     32.48878     32.48878 0.0098547221  0.069850343  0.042559024 
-    8200    1.4385513    5.5252007    6.6551057 -0.0053954052    6.6228379    31.729684     32.48878     32.48878  0.029251386 -0.023427626 -0.022009975 
-    8300    1.4426011    5.5073818    6.6404676  0.034683453    6.8437384    31.093797     32.48878     32.48878  0.028287259  0.027455229  0.048307871 
-    8400    1.4194517    5.5015592    6.6164624  0.015869651    6.7074209    30.408624     32.48878     32.48878  0.020129982   0.00586219  0.021616782 
-    8500    1.4584335    5.4424151    6.5879365  0.025786252    6.7324275    29.728548     32.48878     32.48878  0.051564744 0.0046756434  0.021118368 
-    8600    1.4578973    5.4266016    6.5717019  0.061244725    6.9097759    29.286286     32.48878     32.48878   0.08652905  0.052448352  0.044756773 
-    8700    1.4158345    5.4199695    6.5320317  0.076133238    6.9466617    28.894001     32.48878     32.48878  0.078560655  0.077921379  0.071917679 
-    8800    1.4360707    5.3986549    6.5266116   0.05106059    6.7993343    28.337182     32.48878     32.48878  0.030158729  0.080651224  0.042371819 
-    8900     1.424778     5.386975    6.5060619 0.0023828771    6.5185272     27.75397     32.48878     32.48878 -0.026562751 0.0076340254  0.026077357 
-    9000    1.4273004     5.369067     6.490135  0.077698761    6.8879525    27.163833     32.48878     32.48878  0.056923916  0.050917329   0.12525504 
-Loop time of 3.05599 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 141361.930 tau/day, 327.227 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.60397    | 0.60397    | 0.60397    |   0.0 | 19.76
-Bond    | 0.080384   | 0.080384   | 0.080384   |   0.0 |  2.63
-Neigh   | 1.1078     | 1.1078     | 1.1078     |   0.0 | 36.25
-Comm    | 0.057267   | 0.057267   | 0.057267   |   0.0 |  1.87
-Output  | 0.0007937  | 0.0007937  | 0.0007937  |   0.0 |  0.03
-Modify  | 1.1674     | 1.1674     | 1.1674     |   0.0 | 38.20
-Other   |            | 0.03837    |            |       |  1.26
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    3326 ave 3326 max 3326 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    31301 ave 31301 max 31301 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 31301
-Ave neighs/atom = 5.58946
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 168
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nph molecule iso 0.05 0.05 1.0 dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/nph iso"
-rigid/nph iso
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.787 | 7.787 | 7.787 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    9000    1.4273004     5.369067     6.490135  0.075024718    6.8742614    27.163833     32.48878     32.48878  0.020257355  0.083191009   0.12162579 
-    9100     1.425834    5.3711961    6.4911123  0.045582762    6.7236289     27.13015    32.448495    32.448495  0.047970965  0.045448278  0.043329042 
-    9200    1.4609827    5.3288319    6.4763555  0.072880923    6.8414166     26.96611    32.252298    32.252298  0.053774659  0.093193782  0.071674329 
-    9300     1.448717    5.3331013    6.4709909  0.048446002    6.7095138    26.811748    32.067676    32.067676  0.053340258  0.056657855  0.035339893 
-    9400     1.441683     5.326611    6.4589758  0.014571871    6.5288665    26.578822    31.789089    31.789089  0.043939432 -0.038654064  0.038430244 
-    9500    1.4651641    5.2943716    6.4451796  0.079668782    6.8205296    26.421077    31.600422    31.600422   0.10411792  0.075090335  0.059798087 
-    9600    1.4617024    5.2886327    6.4367216   0.01137432    6.4894218    26.274239    31.424799    31.424799  0.023318055  0.015516795 -0.0047118896 
-    9700    1.4381296    5.2798198    6.4093935  0.030371415    6.5484925    26.173039    31.303761    31.303761   0.05231569  0.025227191  0.013571362 
-    9800    1.4412744    5.2674085    6.3994523  0.076731911    6.7476559    26.092768    31.207754    31.207754   0.05712947  0.077029719  0.096036545 
-    9900    1.4427959    5.2666411      6.39988  0.034570225    6.5551479    26.003248    31.100686    31.100686  0.020955217  0.019879252  0.062876207 
-   10000    1.4337411     5.258442    6.3845688  0.011619021    6.4367617    26.004486    31.102166    31.102166  0.018666906   0.01076669  0.005423467 
-Loop time of 3.23963 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 133348.758 tau/day, 308.678 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.71266    | 0.71266    | 0.71266    |   0.0 | 22.00
-Bond    | 0.0805     | 0.0805     | 0.0805     |   0.0 |  2.48
-Neigh   | 1.2019     | 1.2019     | 1.2019     |   0.0 | 37.10
-Comm    | 0.061646   | 0.061646   | 0.061646   |   0.0 |  1.90
-Output  | 0.00080585 | 0.00080585 | 0.00080585 |   0.0 |  0.02
-Modify  | 1.1436     | 1.1436     | 1.1436     |   0.0 | 35.30
-Other   |            | 0.03849    |            |       |  1.19
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    3617 ave 3617 max 3617 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    35834 ave 35834 max 35834 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 35834
-Ave neighs/atom = 6.39893
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 162
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nph molecule x 0.05 0.05 1.0 y 0.05 0.05 1.0         couple xy dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/nph xy couple"
-rigid/nph xy couple
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.793 | 7.793 | 7.793 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-   10000    1.4337411     5.258442    6.3845688   0.26156311     7.559515    26.004486    31.102166    31.102166   0.31569183   0.56043401 -0.091436513 
-   10100    1.4450694    5.2429626    6.3779872  0.026397674    6.4966895    26.018016    31.118349    31.102166  0.012890725  0.035887426  0.030414871 
-   10200    1.4603735    5.2471262    6.3941713  0.041496848    6.5804213    25.993694    31.089259    31.102166  0.043043384  0.031851909   0.04959525 
-   10300    1.4434562    5.2268279    6.3605855  0.073867581    6.6874051    25.808018    30.867184    31.102166  0.049265569  0.084151743   0.08818543 
-   10400    1.4391471     5.209772    6.3401449  0.010656841    6.3865593    25.605881    30.625422    31.102166 -0.012411333 -0.014743822  0.059125677 
-   10500    1.4239127    5.2146206    6.3330277   0.08346505     6.689122    25.342982    30.310987    31.102166   0.15420896  0.040839126  0.055347067 
-   10600    1.4524651    5.1794989    6.3203324 -0.025909515    6.2120807    25.079294    29.995608    31.102166 -0.014573849 -0.056558124 -0.0065965719 
-   10700    1.4455577    5.1721256    6.3075337  0.084888991    6.6555495    24.842844    29.712806    31.102166   0.10063515  0.067972312   0.08605951 
-   10800    1.4598996      5.15251    6.2991829   0.11430526    6.7624231    24.700034    29.542001    31.102166   0.12408423   0.12316195  0.095669606 
-   10900    1.4149128    5.1641212    6.2754594  0.045495923    6.4584246    24.605124    29.428485    31.102166   0.10001213  0.053235051 -0.016759411 
-   11000    1.3909637    5.1566933    6.2492208  0.046382806     6.433354    24.446408    29.238657    31.102166  0.091440494 0.0046064525  0.043101472 
-Loop time of 3.41971 on 1 procs for 1000 steps with 5600 atoms
-
-Performance: 126326.531 tau/day, 292.423 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.78521    | 0.78521    | 0.78521    |   0.0 | 22.96
-Bond    | 0.080655   | 0.080655   | 0.080655   |   0.0 |  2.36
-Neigh   | 1.2846     | 1.2846     | 1.2846     |   0.0 | 37.57
-Comm    | 0.064334   | 0.064334   | 0.064334   |   0.0 |  1.88
-Output  | 0.00080228 | 0.00080228 | 0.00080228 |   0.0 |  0.02
-Modify  | 1.1651     | 1.1651     | 1.1651     |   0.0 | 34.07
-Other   |            | 0.03903    |            |       |  1.14
-
-Nlocal:    5600 ave 5600 max 5600 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    3805 ave 3805 max 3805 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    40038 ave 40038 max 40038 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 40038
-Ave neighs/atom = 7.14964
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 162
-Dangerous builds = 0
-
-Total wall time: 0:00:22
diff --git a/examples/rigid/log.20Apr18.rigid.tnr.g++.4 b/examples/rigid/log.20Apr18.rigid.tnr.g++.4
deleted file mode 100644
index 28457f51ee..0000000000
--- a/examples/rigid/log.20Apr18.rigid.tnr.g++.4
+++ /dev/null
@@ -1,458 +0,0 @@
-LAMMPS (20 Apr 2018)
-  using 1 OpenMP thread(s) per MPI task
-# Tethered nanorods
-
-atom_style	molecular
-
-read_data	data.rigid.tnr
-  orthogonal box = (-31.122 -31.122 -31.122) to (31.122 31.122 31.122)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  5600 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  reading bonds ...
-  1600 bonds
-  2 = max # of 1-2 neighbors
-  1 = max # of 1-3 neighbors
-  1 = max # of 1-4 neighbors
-  2 = max # of special neighbors
-
-# Specify bond parameters
-
-bond_style	fene
-bond_coeff	1 30.0 1.5 1.0 1.0
-
-special_bonds	fene
-  2 = max # of 1-2 neighbors
-  2 = max # of special neighbors
-
-# Specify initial velocities
-
-velocity	all create 1.4 109345
-
-# Specify rigid components
-
-group		rods type 2
-4000 atoms in group rods
-group		tethers	subtract all rods
-1600 atoms in group tethers
-
-neigh_modify 	exclude	molecule/intra rods delay 0 every 1
-
-# Specify the pair potentials
-
-pair_style	lj/cut	2.5
-pair_modify	shift	yes
-pair_coeff	* * 1.0	1.0 1.122
-pair_coeff	2 2 1.0 1.0 2.5
-
-# Specify output
-
-thermo	100
-thermo_style custom step temp pe etotal press enthalpy lx ly lz pxx pyy pzz
-thermo_modify flush yes lost warn
-
-timestep	0.005
-
-fix	1	rods	rigid molecule
-800 rigid bodies with 4000 atoms
-fix	2	tethers	nve
-fix	3	all	langevin 1.4 1.4 1.0 437624
-
-run	5000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4, bins = 45 45 45
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 7.216 | 7.384 | 7.552 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-       0    1.3963219    5.9478449    7.0445809  0.048565317      9.13595       62.244       62.244       62.244 0.0091983659   0.11850113  0.017996458 
-     100    1.3999025    5.9707695    7.0703179  0.027293074      8.24564       62.244       62.244       62.244  0.017246307   0.04732529  0.017307624 
-     200    1.4245544    5.9878446    7.1067558 0.0072016369      7.41688       62.244       62.244       62.244 0.0071370801 0.0084066589 0.0060611719 
-     300    1.4212057    5.9942604    7.1105414 0.0023296933     7.210865       62.244       62.244       62.244 -0.0059197015 0.0040269953  0.008881786 
-     400    1.4030116    5.9953214    7.0973119 0.0055751834    7.3373961       62.244       62.244       62.244 -0.0026920847  0.013323321 0.0060943141 
-     500    1.4201338    5.9984777    7.1139168 -0.0018229523     7.035415       62.244       62.244       62.244 -0.0082217102 -0.00047319975 0.0032260529 
-     600     1.425173    5.9902537    7.1096508  0.013367744    7.6853062       62.244       62.244       62.244  0.012971415  0.016298595  0.010833222 
-     700    1.4181225    5.9840752    7.0979345 0.0014999758    7.1625279       62.244       62.244       62.244 -0.0015835387 0.0045967753 0.0014866907 
-     800    1.4084205    5.9778462     7.084085 0.0063728488    7.3585191       62.244       62.244       62.244 0.0036202744  0.005593586 0.0099046859 
-     900    1.3958301    5.9891019    7.0854517 0.0028974454    7.2102244       62.244       62.244       62.244 0.0087724642 0.0014508428 -0.001530971 
-    1000    1.3937374    5.9794855    7.0741916 0.0087158481    7.4495223       62.244       62.244       62.244  0.014424783 0.0034958881 0.0082268735 
-    1100    1.3729162    5.9916252    7.0699773 0.0030451966    7.2011127       62.244       62.244       62.244 0.00084635444 -0.00064448421 0.0089337195 
-    1200    1.4427374    5.9713589    7.1045519 0.0042680608    7.2883474       62.244       62.244       62.244 0.0030884628 0.0031576538 0.0065580658 
-    1300    1.3971469    5.9728674    7.0702514 0.0022809251     7.168475       62.244       62.244       62.244 0.00060902513 -0.00020572386  0.006439474 
-    1400    1.4194118    5.9672631     7.082135  0.012945844    7.6396221       62.244       62.244       62.244 0.0082418827  0.016256336  0.014339314 
-    1500    1.3866472    5.9728382    7.0619753 0.0010642438    7.1078049       62.244       62.244       62.244 0.0020316123 0.0020439035 -0.00088278431 
-    1600    1.4184955    5.9539591    7.0681113 0.0077605409    7.4023036       62.244       62.244       62.244 0.0033721722 0.0057827512  0.014126699 
-    1700    1.3612202    5.9676733    7.0368389 0.0001686213    7.0441002       62.244       62.244       62.244 0.0052525345 0.0007705269 -0.0055171975 
-    1800    1.3641041    5.9521837    7.0236144 0.0057884587    7.2728829       62.244       62.244       62.244 0.0038061044 0.0044032908  0.009155981 
-    1900    1.3594477    5.9646024    7.0323757 0.0044261926    7.2229809       62.244       62.244       62.244 0.0019417448  0.006871542  0.004465291 
-    2000    1.3776971    5.9431816    7.0252888 -0.0012460593    6.9716298       62.244       62.244       62.244 -0.0010913822 0.00098119435 -0.0036279901 
-    2100    1.3986245    5.9509735    7.0495181  0.007520633    7.3733792       62.244       62.244       62.244  0.008359824 0.0075919773 0.0066100978 
-    2200    1.4033594    5.9548158    7.0570794 0.0016804284    7.1294438       62.244       62.244       62.244 -0.001842641 0.0032876741 0.0035962521 
-    2300    1.4048926    5.9444129    7.0478808 0.0062444035    7.3167836       62.244       62.244       62.244  0.004383569 0.0065720464  0.007777595 
-    2400    1.4044043    5.9370822    7.0401666 0.0034562836    7.1890046       62.244       62.244       62.244 0.0068959298 0.0041111713 -0.00063825028 
-    2500    1.4200762    5.9359254    7.0513193  0.002831965    7.1732722       62.244       62.244       62.244 -0.00030414188 0.0039571831 0.0048428539 
-    2600    1.3876469    5.9249124    7.0148347 -0.0017777223    6.9382806       62.244       62.244       62.244 -0.00047616388 -0.0025484917 -0.0023085112 
-    2700    1.4099941     5.916763    7.0242378 0.0070716262    7.3287634       62.244       62.244       62.244  0.012628756 0.0053812867 0.0032048357 
-    2800    1.4444643    5.9283432    7.0628925 0.0019400019    7.1464348       62.244       62.244       62.244 0.0014895075 0.0046367395 -0.0003062412 
-    2900    1.3902832    5.9152516    7.0072446 -0.0021662211    6.9139606       62.244       62.244       62.244 -0.0012374413 -0.00056403267 -0.0046971892 
-    3000    1.3711706     5.922146     6.999127  0.011101505    7.4771914       62.244       62.244       62.244  0.011063833  0.012093025  0.010147658 
-    3100    1.3569137    5.9171753    6.9829583 -0.0028266781     6.861233       62.244       62.244       62.244 -0.0069507246  0.001008439 -0.0025377485 
-    3200    1.4004275     5.905939    7.0058998  0.005439464    7.2401395       62.244       62.244       62.244  0.010352181 0.0057594129 0.00020679783 
-    3300    1.3641217    5.9145275     6.985972 -0.0027212797    6.8687855       62.244       62.244       62.244 -0.00065933477 -0.0057712994 -0.0017332048 
-    3400    1.3868722    5.9059546    6.9952684 0.0092591181    7.3939939       62.244       62.244       62.244  0.010690872   0.01075251 0.0063339724 
-    3500    1.3939168    5.8992292    6.9940762 0.0074340103    7.3142071       62.244       62.244       62.244  0.010137319 0.0044252681 0.0077394433 
-    3600    1.3982507     5.921946     7.020197 0.0056794467    7.2647712       62.244       62.244       62.244 0.0023367139 0.0080592038 0.0066424225 
-    3700    1.4019908    5.9059954     7.007184 0.0065915246     7.291035       62.244       62.244       62.244 0.0049554227  0.010827006 0.0039921455 
-    3800    1.3960735    5.9020788    6.9986197 0.0027763543    7.1181779       62.244       62.244       62.244 -0.0015907599 0.0025861989  0.007333624 
-    3900    1.4352827    5.8986213     7.025959 0.0034983366    7.1766079       62.244       62.244       62.244 0.0030418079  0.002773833 0.0046793689 
-    4000    1.4121839    5.9079032     7.017098 0.0050464926    7.2344152       62.244       62.244       62.244 0.0045546986 0.0064116168 0.0041731626 
-    4100    1.3989613    5.9082377    7.0070468 0.00042898744    7.0255203       62.244       62.244       62.244 0.0025736361 0.0025182434 -0.0038049172 
-    4200    1.3998851    5.8998106    6.9993454 0.0042770066    7.1835262       62.244       62.244       62.244 0.0013728904 0.0064694548 0.0049886746 
-    4300    1.4076016    5.9044534    7.0100491 0.0066777871    7.2976147       62.244       62.244       62.244 0.0073579039 0.0048129651 0.0078624924 
-    4400    1.3948857    5.9101851    7.0057931 0.0013429373     7.063624       62.244       62.244       62.244 -0.00084288143 0.0061856571 -0.0013139638 
-    4500    1.4356157    5.8855608      7.01316 -0.0013707942    6.9541295       62.244       62.244       62.244 -0.0018523205 -0.0050195956 0.0027595334 
-    4600    1.4148397    5.8957564    7.0070372 0.0072212968     7.318008       62.244       62.244       62.244  0.011376867 0.0074399971 0.0028470263 
-    4700    1.3695106    5.8936708     6.969348 0.0017509017    7.0447471       62.244       62.244       62.244 -0.0061975951 0.0044076775 0.0070426225 
-    4800    1.4142735    5.8887578    6.9995939 0.0081923232      7.35238       62.244       62.244       62.244  0.013343877 0.0054560473 0.0057770449 
-    4900    1.4300042    5.8867398    7.0099315 0.0070875112    7.3151411       62.244       62.244       62.244 0.0080416381 0.0042409901 0.0089799056 
-    5000    1.4286039    5.8964609    7.0185527 -0.003158533    6.8825368       62.244       62.244       62.244 0.0024975808 -0.0097503027 -0.0022228771 
-Loop time of 3.4608 on 4 procs for 5000 steps with 5600 atoms
-
-Performance: 624133.913 tau/day, 1444.754 timesteps/s
-98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.083226   | 0.13336    | 0.18611    |  13.0 |  3.85
-Bond    | 0.045169   | 0.066142   | 0.087486   |   7.8 |  1.91
-Neigh   | 0.57772    | 0.57997    | 0.58211    |   0.3 | 16.76
-Comm    | 0.19402    | 0.26217    | 0.32776    |  12.2 |  7.58
-Output  | 0.0027087  | 0.0035715  | 0.0041978  |   0.9 |  0.10
-Modify  | 2.1223     | 2.2156     | 2.2842     |   4.2 | 64.02
-Other   |            | 0.2        |            |       |  5.78
-
-Nlocal:    1400 ave 1844 max 907 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-Nghost:    642 ave 714 max 581 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-Neighs:    1307.25 ave 1883 max 682 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 5229
-Ave neighs/atom = 0.93375
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 762
-Dangerous builds = 0
-
-# Replace fix rigid and fix langevin with new ones
-
-unfix	1
-unfix	3
-
-fix	3	tethers langevin 1.4 1.4 1.0 198450
-
-# Test different integrators for rods
-
-fix	1 rods	rigid/nve molecule
-800 rigid bodies with 4000 atoms
-print 	"rigid/nve"
-rigid/nve
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    5000    1.4286039    5.8964609    7.0185527 -0.017900244    6.2477142       62.244       62.244       62.244 -0.017934885 -0.027283526 -0.0084823215 
-    5100    1.4251274     5.887521    7.0068821 0.0066290394    7.2923486       62.244       62.244       62.244 0.0033173534 0.0056467845   0.01092298 
-    5200    1.4246222    5.8928547    7.0118192 -0.00025763331    7.0007247       62.244       62.244       62.244 -0.001891953 -0.0031121381 0.0042311911 
-    5300    1.3905023    5.9024119     6.994577 0.0026824588    7.1100918       62.244       62.244       62.244  0.003106008 0.0040692376 0.00087213068 
-    5400    1.4139617    5.8906493    7.0012405  0.003175173     7.137973       62.244       62.244       62.244 0.0034546577  0.003858524 0.0022123373 
-    5500    1.4160473    5.8891813    7.0014106 0.0032907848    7.1431217       62.244       62.244       62.244 0.0014909385 0.0067546452 0.0016267707 
-    5600    1.4185962    5.8932473    7.0074786  0.013015823    7.5679792       62.244       62.244       62.244  0.011297248  0.011426835  0.016323387 
-    5700    1.4115847     5.892193    7.0009171 0.0080660065    7.3482637       62.244       62.244       62.244 0.0096534077  0.004127271  0.010417341 
-    5800    1.3920238    5.8874957    6.9808558 0.0087013878    7.3555639       62.244       62.244       62.244 0.0070865796 0.0093328615 0.0096847223 
-    5900     1.389416    5.8996657    6.9909775 0.0053218583    7.2201528       62.244       62.244       62.244 0.0050547275 0.0054113274 0.0054995198 
-    6000    1.4079053    5.8795437    6.9853779 0.0066005053    7.2696156       62.244       62.244       62.244 0.0087434104 0.0013589366 0.0096991689 
-Loop time of 0.793224 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 544612.641 tau/day, 1260.677 timesteps/s
-98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.018101   | 0.036068   | 0.051689   |   7.6 |  4.55
-Bond    | 0.0083735  | 0.013206   | 0.017318   |   3.6 |  1.66
-Neigh   | 0.12864    | 0.1293     | 0.13002    |   0.1 | 16.30
-Comm    | 0.037184   | 0.056407   | 0.077999   |   7.4 |  7.11
-Output  | 0.00048971 | 0.00072509 | 0.00083923 |   0.0 |  0.09
-Modify  | 0.49526    | 0.51293    | 0.52997    |   2.2 | 64.66
-Other   |            | 0.04459    |            |       |  5.62
-
-Nlocal:    1400 ave 1844 max 884 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-Nghost:    713.5 ave 818 max 656 min
-Histogram: 1 1 1 0 0 0 0 0 0 1
-Neighs:    1315 ave 1956 max 573 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-
-Total # of neighbors = 5260
-Ave neighs/atom = 0.939286
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 156
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nvt molecule temp 1.4 1.4 1.0
-800 rigid bodies with 4000 atoms
-print 	"rigid/nvt"
-rigid/nvt
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    6000    1.4079053    5.8795437    6.9853779  0.010184208    7.4239406       62.244       62.244       62.244 0.0015995549  0.064769849 -0.035816779 
-    6100    1.4031886    5.8721732    6.9743027    0.0039601    7.1448365       62.244       62.244       62.244 0.0019177243 0.0048575488  0.005105027 
-    6200    1.4078378    5.8813987    6.9871798 -0.0019043091    6.9051745       62.244       62.244       62.244 -0.0012543967 -0.0035545317 -0.00090399881 
-    6300    1.3898748    5.8818577      6.97353 0.0050781011    7.1922083       62.244       62.244       62.244 0.0037642013 0.0035169519 0.0079531499 
-    6400    1.3901345    5.8620878     6.953964 -0.0013161864     6.897285       62.244       62.244       62.244 0.0024166375 -0.0023907165 -0.0039744801 
-    6500    1.3990792    5.8647534    6.9636551 0.0025190902    7.0721348       62.244       62.244       62.244  0.003080505 -0.00072200043 0.0051987659 
-    6600    1.3802747    5.8639204    6.9480523 0.0030906745    7.0811461       62.244       62.244       62.244 0.0041979458 0.0059358092 -0.00086173155 
-    6700     1.392968    5.8692368    6.9633385 0.00060394401    6.9893462       62.244       62.244       62.244 0.0037955666 0.00058857296 -0.0025723075 
-    6800    1.4139599    5.8777321    6.9883218 0.0064457022    7.2658932       62.244       62.244       62.244 0.0066202313 0.0077537688 0.0049631066 
-    6900    1.3913822    5.8914016    6.9842578 0.0012411779    7.0377066       62.244       62.244       62.244 -0.0029791199 0.0027656154 0.0039370381 
-    7000    1.4203244    5.8676225    6.9832112 0.0053040447    7.2116194       62.244       62.244       62.244 0.0024159021 0.0053958945 0.0081003375 
-Loop time of 0.812983 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 531376.713 tau/day, 1230.039 timesteps/s
-98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.020489   | 0.038507   | 0.054352   |   7.9 |  4.74
-Bond    | 0.0086164  | 0.013153   | 0.017908   |   3.5 |  1.62
-Neigh   | 0.13205    | 0.13275    | 0.13353    |   0.1 | 16.33
-Comm    | 0.039251   | 0.05774    | 0.079146   |   7.7 |  7.10
-Output  | 0.00057149 | 0.00076026 | 0.00087905 |   0.0 |  0.09
-Modify  | 0.51332    | 0.52873    | 0.54512    |   2.1 | 65.04
-Other   |            | 0.04134    |            |       |  5.09
-
-Nlocal:    1400 ave 1861 max 953 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Nghost:    732.5 ave 799 max 634 min
-Histogram: 1 0 0 0 0 1 0 0 1 1
-Neighs:    1478.5 ave 2087 max 852 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 5914
-Ave neighs/atom = 1.05607
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 154
-Dangerous builds = 0
-unfix	1
-
-compute	myTemp all temp
-
-fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 iso 0.05 0.05 1.0         dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/npt iso"
-rigid/npt iso
-fix_modify 1 temp myTemp
-
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    7000    1.4203244    5.8676225    6.9832112 -0.040722281    5.2295869       62.244       62.244       62.244  -0.12474488  0.041369653 -0.038791619 
-    7100    1.4820526    5.8454198    7.0094927  0.013935005    7.4687465    56.934813    56.934813    56.934813  0.011753675  0.011015866  0.019035475 
-    7200    1.5504398    5.8024995    7.0202869  0.023075447    7.5454178    50.323226    50.323226    50.323226   0.02128889  0.024383628  0.023553823 
-    7300    1.5422614    5.7803177    6.9916814  0.022398755    7.3670099    45.442117    45.442117    45.442117  0.011815608  0.027421849  0.027958808 
-    7400    1.5762224    5.7500188     6.988057  0.044637382    7.5673845    41.732187    41.732187    41.732187  0.045858714  0.035776277  0.052277154 
-    7500    1.5734284    5.7222605    6.9581042  0.029862564    7.2743396    38.996336    38.996336    38.996336  0.024440229  0.034455527  0.030691934 
-    7600    1.5572312    5.6929606    6.9160823  0.050216724     7.366563    36.898208    36.898208    36.898208  0.059366814  0.056376093  0.034907266 
-    7700    1.5225653     5.659289    6.8551824  0.042054552    7.1814902     35.15611     35.15611     35.15611  0.043735305  0.039349247  0.043079104 
-    7800    1.5081978     5.629903    6.8145116  0.057013188    7.2106251    33.885255    33.885255    33.885255  0.055017894  0.053733429  0.062288242 
-    7900    1.4721367    5.5821237    6.7384082  0.067262555    7.1645957    32.860322    32.860322    32.860322  0.097134972  0.066643481   0.03800921 
-    8000    1.4710105    5.5302806    6.6856805  0.054118027    7.0029681    32.020862    32.020862    32.020862  0.039052412  0.059044234  0.064257435 
-Loop time of 1.47728 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 292430.022 tau/day, 676.921 timesteps/s
-98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.064968   | 0.10073    | 0.1395     |  10.5 |  6.82
-Bond    | 0.014031   | 0.019927   | 0.02572    |   3.7 |  1.35
-Neigh   | 0.52043    | 0.52145    | 0.52214    |   0.1 | 35.30
-Comm    | 0.069327   | 0.11344    | 0.15499    |  11.3 |  7.68
-Output  | 0.00045276 | 0.00050163 | 0.00058174 |   0.0 |  0.03
-Modify  | 0.65598    | 0.67559    | 0.69898    |   2.4 | 45.73
-Other   |            | 0.04563    |            |       |  3.09
-
-Nlocal:    1400 ave 1711 max 1074 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    1617 ave 1748 max 1514 min
-Histogram: 1 0 0 2 0 0 0 0 0 1
-Neighs:    6221.75 ave 8875 max 3829 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-
-Total # of neighbors = 24887
-Ave neighs/atom = 4.44411
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 340
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 x 0.05 0.05 1.0 dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/npt x"
-rigid/npt x
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.227 | 7.408 | 7.596 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    8000    1.4710105    5.5302806    6.6856805   0.19181859      7.81029    32.020862    32.020862    32.020862   0.26866704   0.14123342   0.16555531 
-    8100      1.47531    5.5300767    6.6888537  0.072844262    7.1138998    31.868578    32.020862    32.020862  0.090224787  0.062332105  0.065975895 
-    8200     1.448408      5.51143    6.6490768  0.069870568    7.0519422    31.491082    32.020862    32.020862  0.087940256  0.058037199  0.063634249 
-    8300    1.4057002    5.4923673    6.5964694  0.065508742    6.9688194    31.043742    32.020862    32.020862  0.079268242  0.048811269  0.068446714 
-    8400    1.3991297    5.4626242    6.5615657 -0.017027709    6.4660067    30.650474    32.020862    32.020862 0.0088006578 -0.001632039 -0.058251747 
-    8500    1.4126457    5.4676374    6.5771949  0.012615987    6.6471389    30.279686    32.020862    32.020862  0.010145607  0.017449486  0.010252867 
-    8600    1.4250925    5.4367644    6.5560982  0.057260287    6.8682646    29.775194    32.020862    32.020862   0.05660339   0.10551068 0.0096667873 
-    8700    1.4259617     5.431439    6.5514555  0.060058224    6.8743509     29.36374    32.020862    32.020862  0.059243843  0.040552126  0.080378702 
-    8800    1.4336545    5.3949149    6.5209738  0.052324111    6.7965365    28.763424    32.020862    32.020862   0.02607362  0.067534725  0.063363987 
-    8900    1.4228767    5.3718196     6.489413   0.04039784    6.6975045    28.133143    32.020862    32.020862  0.038493401  0.059136317  0.023563801 
-    9000    1.3840335    5.3851579    6.4722421  0.055356171    6.7513156    27.534332    32.020862    32.020862  0.067391117  0.061540537   0.03713686 
-Loop time of 1.41644 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 304989.819 tau/day, 705.995 timesteps/s
-98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.111      | 0.15928    | 0.20768    |  11.1 | 11.25
-Bond    | 0.014816   | 0.020169   | 0.024592   |   3.1 |  1.42
-Neigh   | 0.40146    | 0.40175    | 0.40221    |   0.0 | 28.36
-Comm    | 0.063586   | 0.11635    | 0.16698    |  14.1 |  8.21
-Output  | 0.00045538 | 0.00050312 | 0.00063586 |   0.0 |  0.04
-Modify  | 0.66405    | 0.67875    | 0.69575    |   1.6 | 47.92
-Other   |            | 0.03963    |            |       |  2.80
-
-Nlocal:    1400 ave 1641 max 1120 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Nghost:    1593.5 ave 1674 max 1480 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
-Neighs:    7766.25 ave 10004 max 5618 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 31065
-Ave neighs/atom = 5.54732
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 168
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nph molecule iso 0.05 0.05 1.0 dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/nph iso"
-rigid/nph iso
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.228 | 7.409 | 7.596 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-    9000    1.3840335    5.3851579    6.4722421   0.16503405    7.3042475    27.534332    32.020862    32.020862   0.18505216   0.10781406   0.20223595 
-    9100    1.3884253    5.3614209    6.4519546 -0.00091586458    6.4474179    27.373411     31.83372     31.83372  0.022761165 -0.0041100422 -0.021398716 
-    9200     1.420492    5.3303864    6.4461068  0.059143817    6.7274082    27.005021    31.405303    31.405303  0.083033013  0.062389471  0.032008967 
-    9300    1.4715513    5.2993502    6.4551749 -0.0012173753    6.4496031     26.66115    31.005402    31.005402 3.6757409e-05 -0.035942133   0.03225325 
-    9400     1.446323    5.2997487    6.4357579  0.089723486    6.8324557    26.355721    30.650205    30.650205  0.074549411  0.091827859   0.10279319 
-    9500    1.4429552    5.2778071    6.4111711  0.074185245    6.7328342    26.184941    30.451597    30.451597  0.081909739  0.072238574  0.068407422 
-    9600    1.4570864    5.2601352    6.4045984    0.0580315    6.6544318    26.122769    30.379295    30.379295  0.060115487  0.027228888  0.086750125 
-    9700    1.4421488    5.2741205    6.4068511  0.044711738    6.5981759    26.069954    30.317874    30.317874  0.093367845  0.025219144  0.015548226 
-    9800    1.4305027    5.2831767    6.4067599  0.064007051    6.6787519    26.009567    30.247648    30.247648    0.1207317  0.021857174  0.049432283 
-    9900    1.4457473    5.2513943    6.3869514  0.016264617    6.4551575    25.895064    30.114487    30.114487  0.055652525  0.015908352 -0.022767026 
-   10000    1.4739193    5.2108898    6.3685744  0.066079547    6.6416503    25.768894    29.967759    29.967759  0.059174033  0.048716715  0.090347892 
-Loop time of 1.47405 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 293069.938 tau/day, 678.403 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.14109    | 0.19261    | 0.2429     |  10.7 | 13.07
-Bond    | 0.015511   | 0.020164   | 0.023957   |   2.5 |  1.37
-Neigh   | 0.43698    | 0.43723    | 0.43759    |   0.0 | 29.66
-Comm    | 0.064379   | 0.1184     | 0.17429    |  14.5 |  8.03
-Output  | 0.00053048 | 0.00056964 | 0.00067139 |   0.0 |  0.04
-Modify  | 0.65413    | 0.66598    | 0.68039    |   1.3 | 45.18
-Other   |            | 0.0391     |            |       |  2.65
-
-Nlocal:    1400 ave 1629 max 1159 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-Nghost:    1760.25 ave 1871 max 1635 min
-Histogram: 1 0 0 1 0 0 0 1 0 1
-Neighs:    9467.75 ave 11967 max 6712 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 37871
-Ave neighs/atom = 6.76268
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 163
-Dangerous builds = 0
-unfix	1
-
-fix	1 rods	rigid/nph molecule x 0.05 0.05 1.0 y 0.05 0.05 1.0         couple xy dilate all
-800 rigid bodies with 4000 atoms
-print 	"rigid/nph xy couple"
-rigid/nph xy couple
-run	1000
-Per MPI rank memory allocation (min/avg/max) = 7.229 | 7.413 | 7.597 Mbytes
-Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
-   10000    1.4739193    5.2108898    6.3685744   0.15675952    7.0163882    25.768894    29.967759    29.967759   0.15485552 -0.045372029   0.36079506 
-   10100     1.450711    5.2108741    6.3503298 0.0083383764    6.3849239    25.819477    30.026584    29.967759 0.0025039775 -0.0028716599  0.025382812 
-   10200    1.4627819    5.2187046    6.3676414  0.031215755    6.4961258    25.717327    29.907789    29.967759   0.04657158 0.0023172248  0.044758461 
-   10300    1.4689915    5.2231223    6.3769364  0.094530779    6.7645053    25.667024     29.84929    29.967759   0.10402187  0.089461211  0.090109255 
-   10400     1.465366     5.211321    6.3622875  0.057765151    6.5976168    25.585426    29.754396    29.967759  0.025724468   0.03148259    0.1160884 
-   10500    1.4206144    5.2096595     6.325476  0.029618225    6.4439115    25.348314    29.478648    29.967759  0.016757876 -0.021974627  0.094071428 
-   10600    1.4490516    5.1686358    6.3067882   0.10186675     6.705618    25.082174    29.169143    29.967759   0.13985672   0.13649813  0.029245401 
-   10700      1.42637    5.1516578     6.271995   0.12577606    6.7554051    24.851151    28.900476    29.967759  0.099699897   0.11678127   0.16084703 
-   10800    1.4675204    5.1334029    6.2860615  0.054610838     6.494291    24.752517     28.78577    29.967759  0.018006539  0.090588468  0.055237507 
-   10900    1.4312627    5.1332052    6.2573854 -0.0020120377    6.2496947    24.782913    28.821119    29.967759 -0.0035770106  0.047436898    -0.049896 
-   11000    1.3986074    5.1272068     6.225738  0.045641244    6.3993661     24.72401    28.752618    29.967759  0.052336235  0.073561738  0.011025759 
-Loop time of 1.50406 on 4 procs for 1000 steps with 5600 atoms
-
-Performance: 287222.965 tau/day, 664.868 timesteps/s
-98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.16856    | 0.21287    | 0.26569    |   9.4 | 14.15
-Bond    | 0.016815   | 0.020397   | 0.023304   |   1.9 |  1.36
-Neigh   | 0.44152    | 0.44161    | 0.44172    |   0.0 | 29.36
-Comm    | 0.067729   | 0.1232     | 0.16886    |  13.0 |  8.19
-Output  | 0.00045419 | 0.00048572 | 0.0005734  |   0.0 |  0.03
-Modify  | 0.6568     | 0.66799    | 0.6841     |   1.3 | 44.41
-Other   |            | 0.0375     |            |       |  2.49
-
-Nlocal:    1400 ave 1605 max 1229 min
-Histogram: 1 1 0 0 0 0 0 1 0 1
-Nghost:    1859 ave 1964 max 1718 min
-Histogram: 1 0 0 0 0 1 0 1 0 1
-Neighs:    10208.2 ave 13091 max 7670 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 40833
-Ave neighs/atom = 7.29161
-Ave special neighs/atom = 0.571429
-Neighbor list builds = 160
-Dangerous builds = 0
-
-Total wall time: 0:00:10
diff --git a/examples/rigid/log.20Apr18.rigid.atomfile.g++.4 b/examples/rigid/log.27Nov18.rigid.atomfile.g++.1
similarity index 90%
rename from examples/rigid/log.20Apr18.rigid.atomfile.g++.4
rename to examples/rigid/log.27Nov18.rigid.atomfile.g++.1
index 70f86f32bb..e3e539eada 100644
--- a/examples/rigid/log.20Apr18.rigid.atomfile.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.atomfile.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -10,7 +10,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -106,7 +106,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.08 | 4.174 | 4.455 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.109 | 4.109 | 4.109 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -160,8 +160,8 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722854e-05            0    5269.5046    14.510657 
-    2650    16733.017     1.705148            0    5269.5067    14.596295 
+    2600    16738.427 -7.972284e-05            0    5269.5046    14.510657 
+    2650    16733.017    1.7051479            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
     2800    16738.585 -0.046813448            0    5269.5076    14.511073 
@@ -169,7 +169,7 @@ Step Temp E_pair E_mol TotEng Press
     2900    16738.465 -0.0026252725            0     5269.514    14.510277 
     2950    16738.476 -0.0082220764            0     5269.512    14.510223 
     3000     16738.66 -0.071284779            0     5269.507    14.509758 
-    3050    16715.332    7.2419351            0     5269.476    14.870305 
+    3050    16715.332    7.2419352            0     5269.476    14.870305 
     3100    16653.226    26.818761            0    5269.5009    14.496764 
     3150    16739.351  -0.30690375            0    5269.4886    13.643904 
     3200    16733.238    1.6025328            0    5269.4737    12.016934 
@@ -179,7 +179,7 @@ Step Temp E_pair E_mol TotEng Press
     3400    16738.543 -0.042215005            0    5269.4991    12.092809 
     3450    16738.591 -0.059327511            0    5269.4972    12.092536 
     3500    16738.759  -0.11761245            0    5269.4918     12.09203 
-    3550    16713.405     7.846062            0    5269.4737    12.389816 
+    3550    16713.405    7.8460621            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
     3700    16738.602 -0.070934368            0    5269.4889    12.025288 
@@ -277,8 +277,8 @@ Step Temp E_pair E_mol TotEng Press
     8300    16738.471            0            0    5269.5187    12.011719 
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
-    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
+    8450    16738.473 -0.00039690666            0    5269.5189    12.011706 
+    8500    16738.481 -0.0034646804            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532811            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -298,38 +298,38 @@ Step Temp E_pair E_mol TotEng Press
     9350     16738.48            0            0    5269.5214    12.011744 
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
-    9500    16738.481 -0.00037652437            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156159            0    5269.5203    12.011611 
-    9600    16738.549 -0.026814369            0    5269.5163    12.011415 
+    9500    16738.481 -0.00037652434            0    5269.5216    12.011692 
+    9550    16738.493 -0.005315616            0    5269.5203    12.011611 
+    9600    16738.549 -0.026814368            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589887            0    5269.4979    12.062708 
-    9750    16738.013     0.135501            0    5269.5101    11.407245 
-    9800    16738.512 -0.011620329            0    5269.5201    11.394973 
-    9850    16738.489 -0.00067270548            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984569            0    5269.5242    11.395084 
+    9700    16735.041    1.0589885            0    5269.4979    12.062708 
+    9750    16738.013   0.13550123            0    5269.5101    11.407245 
+    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270523            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984554            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.191483 on 4 procs for 10000 steps with 81 atoms
+Loop time of 0.153749 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 451214.099 tau/day, 52223.854 timesteps/s
-96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 561955.786 tau/day, 65041.179 timesteps/s
+98.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0024264  | 0.0036595  | 0.0042815  |   1.2 |  1.91
-Neigh   | 0.011347   | 0.012011   | 0.013367   |   0.7 |  6.27
-Comm    | 0.081701   | 0.083476   | 0.087947   |   0.9 | 43.59
-Output  | 0.0042565  | 0.0045614  | 0.0053556  |   0.7 |  2.38
-Modify  | 0.075719   | 0.078165   | 0.080737   |   0.7 | 40.82
-Other   |            | 0.009611   |            |       |  5.02
+Pair    | 0.0098538  | 0.0098538  | 0.0098538  |   0.0 |  6.41
+Neigh   | 0.040308   | 0.040308   | 0.040308   |   0.0 | 26.22
+Comm    | 0.013034   | 0.013034   | 0.013034   |   0.0 |  8.48
+Output  | 0.0017202  | 0.0017202  | 0.0017202  |   0.0 |  1.12
+Modify  | 0.083709   | 0.083709   | 0.083709   |   0.0 | 54.45
+Other   |            | 0.005123   |            |       |  3.33
 
-Nlocal:    20.25 ave 38 max 3 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    27.25 ave 48 max 13 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    84 ave 84 max 84 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.atomfile.g++.1 b/examples/rigid/log.27Nov18.rigid.atomfile.g++.4
similarity index 92%
rename from examples/rigid/log.20Apr18.rigid.atomfile.g++.1
rename to examples/rigid/log.27Nov18.rigid.atomfile.g++.4
index c66711c41c..1e28766101 100644
--- a/examples/rigid/log.20Apr18.rigid.atomfile.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.atomfile.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -10,7 +10,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -106,7 +106,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.109 | 4.109 | 4.109 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.08 | 4.174 | 4.455 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -160,7 +160,7 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722839e-05            0    5269.5046    14.510657 
+    2600    16738.427 -7.9722832e-05            0    5269.5046    14.510657 
     2650    16733.017     1.705148            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
@@ -182,7 +182,7 @@ Step Temp E_pair E_mol TotEng Press
     3550    16713.405     7.846062            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
-    3700    16738.602 -0.070934367            0    5269.4889    12.025288 
+    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
     3750    16737.731   0.20706557            0    5269.4927    12.061948 
     3800    16738.578  -0.05582043            0    5269.4965    12.035665 
     3850    16738.471 -0.016307928            0    5269.5024    12.035302 
@@ -278,7 +278,7 @@ Step Temp E_pair E_mol TotEng Press
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
     8450    16738.473 -0.00039690663            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646802            0    5269.5182    12.011643 
+    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -299,37 +299,37 @@ Step Temp E_pair E_mol TotEng Press
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
     9500    16738.481 -0.00037652438            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156162            0    5269.5203    12.011611 
+    9550    16738.493 -0.0053156163            0    5269.5203    12.011611 
     9600    16738.549 -0.026814371            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589893            0    5269.4979    12.062708 
-    9750    16738.013   0.13550102            0    5269.5101    11.407246 
-    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
-    9850    16738.489 -0.00067270521            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984561            0    5269.5242    11.395085 
+    9700    16735.041    1.0589894            0    5269.4979    12.062708 
+    9750    16738.013   0.13550109            0    5269.5101    11.407246 
+    9800    16738.512 -0.011620327            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270507            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984555            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.140447 on 1 procs for 10000 steps with 81 atoms
+Loop time of 0.202963 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 615179.112 tau/day, 71201.286 timesteps/s
-98.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 425693.239 tau/day, 49270.051 timesteps/s
+89.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.010351   | 0.010351   | 0.010351   |   0.0 |  7.37
-Neigh   | 0.036597   | 0.036597   | 0.036597   |   0.0 | 26.06
-Comm    | 0.0092356  | 0.0092356  | 0.0092356  |   0.0 |  6.58
-Output  | 0.0023856  | 0.0023856  | 0.0023856  |   0.0 |  1.70
-Modify  | 0.07586    | 0.07586    | 0.07586    |   0.0 | 54.01
-Other   |            | 0.006017   |            |       |  4.28
+Pair    | 0.0025978  | 0.0033882  | 0.0042055  |   1.0 |  1.67
+Neigh   | 0.012025   | 0.013416   | 0.01623    |   1.4 |  6.61
+Comm    | 0.080375   | 0.087468   | 0.090782   |   1.4 | 43.10
+Output  | 0.0031407  | 0.0039954  | 0.0065427  |   2.3 |  1.97
+Modify  | 0.086613   | 0.087285   | 0.087619   |   0.1 | 43.01
+Other   |            | 0.00741    |            |       |  3.65
 
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    84 ave 84 max 84 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Nlocal:    20.25 ave 38 max 3 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    27.25 ave 48 max 13 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
 Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Histogram: 4 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.atomvar.g++.4 b/examples/rigid/log.27Nov18.rigid.atomvar.g++.1
similarity index 90%
rename from examples/rigid/log.20Apr18.rigid.atomvar.g++.4
rename to examples/rigid/log.27Nov18.rigid.atomvar.g++.1
index 76344d0995..58834ebf3d 100644
--- a/examples/rigid/log.20Apr18.rigid.atomvar.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.atomvar.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -10,7 +10,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -106,7 +106,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.955 | 4.049 | 4.33 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.984 | 3.984 | 3.984 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -160,8 +160,8 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722854e-05            0    5269.5046    14.510657 
-    2650    16733.017     1.705148            0    5269.5067    14.596295 
+    2600    16738.427 -7.972284e-05            0    5269.5046    14.510657 
+    2650    16733.017    1.7051479            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
     2800    16738.585 -0.046813448            0    5269.5076    14.511073 
@@ -169,7 +169,7 @@ Step Temp E_pair E_mol TotEng Press
     2900    16738.465 -0.0026252725            0     5269.514    14.510277 
     2950    16738.476 -0.0082220764            0     5269.512    14.510223 
     3000     16738.66 -0.071284779            0     5269.507    14.509758 
-    3050    16715.332    7.2419351            0     5269.476    14.870305 
+    3050    16715.332    7.2419352            0     5269.476    14.870305 
     3100    16653.226    26.818761            0    5269.5009    14.496764 
     3150    16739.351  -0.30690375            0    5269.4886    13.643904 
     3200    16733.238    1.6025328            0    5269.4737    12.016934 
@@ -179,7 +179,7 @@ Step Temp E_pair E_mol TotEng Press
     3400    16738.543 -0.042215005            0    5269.4991    12.092809 
     3450    16738.591 -0.059327511            0    5269.4972    12.092536 
     3500    16738.759  -0.11761245            0    5269.4918     12.09203 
-    3550    16713.405     7.846062            0    5269.4737    12.389816 
+    3550    16713.405    7.8460621            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
     3700    16738.602 -0.070934368            0    5269.4889    12.025288 
@@ -277,8 +277,8 @@ Step Temp E_pair E_mol TotEng Press
     8300    16738.471            0            0    5269.5187    12.011719 
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
-    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
+    8450    16738.473 -0.00039690666            0    5269.5189    12.011706 
+    8500    16738.481 -0.0034646804            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532811            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -298,38 +298,38 @@ Step Temp E_pair E_mol TotEng Press
     9350     16738.48            0            0    5269.5214    12.011744 
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
-    9500    16738.481 -0.00037652437            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156159            0    5269.5203    12.011611 
-    9600    16738.549 -0.026814369            0    5269.5163    12.011415 
+    9500    16738.481 -0.00037652434            0    5269.5216    12.011692 
+    9550    16738.493 -0.005315616            0    5269.5203    12.011611 
+    9600    16738.549 -0.026814368            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589887            0    5269.4979    12.062708 
-    9750    16738.013     0.135501            0    5269.5101    11.407245 
-    9800    16738.512 -0.011620329            0    5269.5201    11.394973 
-    9850    16738.489 -0.00067270548            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984569            0    5269.5242    11.395084 
+    9700    16735.041    1.0589885            0    5269.4979    12.062708 
+    9750    16738.013   0.13550123            0    5269.5101    11.407245 
+    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270523            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984554            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.202733 on 4 procs for 10000 steps with 81 atoms
+Loop time of 0.15622 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 426175.966 tau/day, 49325.922 timesteps/s
-96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 553065.489 tau/day, 64012.209 timesteps/s
+95.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0025222  | 0.0037088  | 0.0044038  |   1.2 |  1.83
-Neigh   | 0.01135    | 0.012003   | 0.013654   |   0.9 |  5.92
-Comm    | 0.088217   | 0.089948   | 0.091659   |   0.4 | 44.37
-Output  | 0.0044014  | 0.0047023  | 0.0055132  |   0.7 |  2.32
-Modify  | 0.080218   | 0.082638   | 0.084872   |   0.6 | 40.76
-Other   |            | 0.009733   |            |       |  4.80
+Pair    | 0.0098181  | 0.0098181  | 0.0098181  |   0.0 |  6.28
+Neigh   | 0.040912   | 0.040912   | 0.040912   |   0.0 | 26.19
+Comm    | 0.013111   | 0.013111   | 0.013111   |   0.0 |  8.39
+Output  | 0.0016305  | 0.0016305  | 0.0016305  |   0.0 |  1.04
+Modify  | 0.085361   | 0.085361   | 0.085361   |   0.0 | 54.64
+Other   |            | 0.005387   |            |       |  3.45
 
-Nlocal:    20.25 ave 38 max 3 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    27.25 ave 48 max 13 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    84 ave 84 max 84 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.atomvar.g++.1 b/examples/rigid/log.27Nov18.rigid.atomvar.g++.4
similarity index 92%
rename from examples/rigid/log.20Apr18.rigid.atomvar.g++.1
rename to examples/rigid/log.27Nov18.rigid.atomvar.g++.4
index 99098d04d2..42b8a52768 100644
--- a/examples/rigid/log.20Apr18.rigid.atomvar.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.atomvar.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -10,7 +10,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -106,7 +106,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.984 | 3.984 | 3.984 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.955 | 4.049 | 4.33 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -160,7 +160,7 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722839e-05            0    5269.5046    14.510657 
+    2600    16738.427 -7.9722832e-05            0    5269.5046    14.510657 
     2650    16733.017     1.705148            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
@@ -182,7 +182,7 @@ Step Temp E_pair E_mol TotEng Press
     3550    16713.405     7.846062            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
-    3700    16738.602 -0.070934367            0    5269.4889    12.025288 
+    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
     3750    16737.731   0.20706557            0    5269.4927    12.061948 
     3800    16738.578  -0.05582043            0    5269.4965    12.035665 
     3850    16738.471 -0.016307928            0    5269.5024    12.035302 
@@ -278,7 +278,7 @@ Step Temp E_pair E_mol TotEng Press
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
     8450    16738.473 -0.00039690663            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646802            0    5269.5182    12.011643 
+    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -299,37 +299,37 @@ Step Temp E_pair E_mol TotEng Press
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
     9500    16738.481 -0.00037652438            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156162            0    5269.5203    12.011611 
+    9550    16738.493 -0.0053156163            0    5269.5203    12.011611 
     9600    16738.549 -0.026814371            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589893            0    5269.4979    12.062708 
-    9750    16738.013   0.13550102            0    5269.5101    11.407246 
-    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
-    9850    16738.489 -0.00067270521            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984561            0    5269.5242    11.395085 
+    9700    16735.041    1.0589894            0    5269.4979    12.062708 
+    9750    16738.013   0.13550109            0    5269.5101    11.407246 
+    9800    16738.512 -0.011620327            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270507            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984555            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.139024 on 1 procs for 10000 steps with 81 atoms
+Loop time of 0.199799 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 621477.474 tau/day, 71930.263 timesteps/s
-99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 432434.078 tau/day, 50050.241 timesteps/s
+91.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.010292   | 0.010292   | 0.010292   |   0.0 |  7.40
-Neigh   | 0.036968   | 0.036968   | 0.036968   |   0.0 | 26.59
-Comm    | 0.0091348  | 0.0091348  | 0.0091348  |   0.0 |  6.57
-Output  | 0.0024047  | 0.0024047  | 0.0024047  |   0.0 |  1.73
-Modify  | 0.074017   | 0.074017   | 0.074017   |   0.0 | 53.24
-Other   |            | 0.006207   |            |       |  4.46
+Pair    | 0.002665   | 0.0034567  | 0.0040557  |   0.9 |  1.73
+Neigh   | 0.012185   | 0.013168   | 0.014083   |   0.8 |  6.59
+Comm    | 0.079331   | 0.082804   | 0.084927   |   0.7 | 41.44
+Output  | 0.0031595  | 0.0039212  | 0.0061827  |   2.1 |  1.96
+Modify  | 0.088465   | 0.090202   | 0.091938   |   0.4 | 45.15
+Other   |            | 0.006247   |            |       |  3.13
 
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    84 ave 84 max 84 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Nlocal:    20.25 ave 38 max 3 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    27.25 ave 48 max 13 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
 Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Histogram: 4 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.early.g++.4 b/examples/rigid/log.27Nov18.rigid.early.g++.1
similarity index 90%
rename from examples/rigid/log.20Apr18.rigid.early.g++.4
rename to examples/rigid/log.27Nov18.rigid.early.g++.1
index c9513a211e..3c8022423f 100644
--- a/examples/rigid/log.20Apr18.rigid.early.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.early.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -9,7 +9,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -105,7 +105,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.95 | 4.044 | 4.326 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.979 | 3.979 | 3.979 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -159,8 +159,8 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722854e-05            0    5269.5046    14.510657 
-    2650    16733.017     1.705148            0    5269.5067    14.596295 
+    2600    16738.427 -7.972284e-05            0    5269.5046    14.510657 
+    2650    16733.017    1.7051479            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
     2800    16738.585 -0.046813448            0    5269.5076    14.511073 
@@ -168,7 +168,7 @@ Step Temp E_pair E_mol TotEng Press
     2900    16738.465 -0.0026252725            0     5269.514    14.510277 
     2950    16738.476 -0.0082220764            0     5269.512    14.510223 
     3000     16738.66 -0.071284779            0     5269.507    14.509758 
-    3050    16715.332    7.2419351            0     5269.476    14.870305 
+    3050    16715.332    7.2419352            0     5269.476    14.870305 
     3100    16653.226    26.818761            0    5269.5009    14.496764 
     3150    16739.351  -0.30690375            0    5269.4886    13.643904 
     3200    16733.238    1.6025328            0    5269.4737    12.016934 
@@ -178,7 +178,7 @@ Step Temp E_pair E_mol TotEng Press
     3400    16738.543 -0.042215005            0    5269.4991    12.092809 
     3450    16738.591 -0.059327511            0    5269.4972    12.092536 
     3500    16738.759  -0.11761245            0    5269.4918     12.09203 
-    3550    16713.405     7.846062            0    5269.4737    12.389816 
+    3550    16713.405    7.8460621            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
     3700    16738.602 -0.070934368            0    5269.4889    12.025288 
@@ -276,8 +276,8 @@ Step Temp E_pair E_mol TotEng Press
     8300    16738.471            0            0    5269.5187    12.011719 
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
-    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
+    8450    16738.473 -0.00039690666            0    5269.5189    12.011706 
+    8500    16738.481 -0.0034646804            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532811            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -297,38 +297,38 @@ Step Temp E_pair E_mol TotEng Press
     9350     16738.48            0            0    5269.5214    12.011744 
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
-    9500    16738.481 -0.00037652437            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156159            0    5269.5203    12.011611 
-    9600    16738.549 -0.026814369            0    5269.5163    12.011415 
+    9500    16738.481 -0.00037652434            0    5269.5216    12.011692 
+    9550    16738.493 -0.005315616            0    5269.5203    12.011611 
+    9600    16738.549 -0.026814368            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589887            0    5269.4979    12.062708 
-    9750    16738.013     0.135501            0    5269.5101    11.407245 
-    9800    16738.512 -0.011620329            0    5269.5201    11.394973 
-    9850    16738.489 -0.00067270548            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984569            0    5269.5242    11.395084 
+    9700    16735.041    1.0589885            0    5269.4979    12.062708 
+    9750    16738.013   0.13550123            0    5269.5101    11.407245 
+    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270523            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984554            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.170899 on 4 procs for 10000 steps with 81 atoms
+Loop time of 0.152593 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 505560.431 tau/day, 58513.939 timesteps/s
-96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 566210.692 tau/day, 65533.645 timesteps/s
+96.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0024047  | 0.0038016  | 0.0044513  |   1.3 |  2.22
-Neigh   | 0.011313   | 0.012043   | 0.013355   |   0.7 |  7.05
-Comm    | 0.066761   | 0.069035   | 0.071617   |   0.7 | 40.40
-Output  | 0.0038884  | 0.0041398  | 0.0048923  |   0.7 |  2.42
-Modify  | 0.071143   | 0.072567   | 0.074478   |   0.4 | 42.46
-Other   |            | 0.009313   |            |       |  5.45
+Pair    | 0.0098324  | 0.0098324  | 0.0098324  |   0.0 |  6.44
+Neigh   | 0.040376   | 0.040376   | 0.040376   |   0.0 | 26.46
+Comm    | 0.012246   | 0.012246   | 0.012246   |   0.0 |  8.03
+Output  | 0.0016036  | 0.0016036  | 0.0016036  |   0.0 |  1.05
+Modify  | 0.083605   | 0.083605   | 0.083605   |   0.0 | 54.79
+Other   |            | 0.00493    |            |       |  3.23
 
-Nlocal:    20.25 ave 38 max 3 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    27.25 ave 48 max 13 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    84 ave 84 max 84 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.early.g++.1 b/examples/rigid/log.27Nov18.rigid.early.g++.4
similarity index 92%
rename from examples/rigid/log.20Apr18.rigid.early.g++.1
rename to examples/rigid/log.27Nov18.rigid.early.g++.4
index 5402647b98..91f091b799 100644
--- a/examples/rigid/log.20Apr18.rigid.early.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.early.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -9,7 +9,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -105,7 +105,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.979 | 3.979 | 3.979 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.95 | 4.044 | 4.326 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -159,7 +159,7 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722839e-05            0    5269.5046    14.510657 
+    2600    16738.427 -7.9722832e-05            0    5269.5046    14.510657 
     2650    16733.017     1.705148            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
@@ -181,7 +181,7 @@ Step Temp E_pair E_mol TotEng Press
     3550    16713.405     7.846062            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
-    3700    16738.602 -0.070934367            0    5269.4889    12.025288 
+    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
     3750    16737.731   0.20706557            0    5269.4927    12.061948 
     3800    16738.578  -0.05582043            0    5269.4965    12.035665 
     3850    16738.471 -0.016307928            0    5269.5024    12.035302 
@@ -277,7 +277,7 @@ Step Temp E_pair E_mol TotEng Press
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
     8450    16738.473 -0.00039690663            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646802            0    5269.5182    12.011643 
+    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -298,37 +298,37 @@ Step Temp E_pair E_mol TotEng Press
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
     9500    16738.481 -0.00037652438            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156162            0    5269.5203    12.011611 
+    9550    16738.493 -0.0053156163            0    5269.5203    12.011611 
     9600    16738.549 -0.026814371            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589893            0    5269.4979    12.062708 
-    9750    16738.013   0.13550102            0    5269.5101    11.407246 
-    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
-    9850    16738.489 -0.00067270521            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984561            0    5269.5242    11.395085 
+    9700    16735.041    1.0589894            0    5269.4979    12.062708 
+    9750    16738.013   0.13550109            0    5269.5101    11.407246 
+    9800    16738.512 -0.011620327            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270507            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984555            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.142284 on 1 procs for 10000 steps with 81 atoms
+Loop time of 0.198859 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 607236.588 tau/day, 70282.013 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 434479.274 tau/day, 50286.953 timesteps/s
+91.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.010693   | 0.010693   | 0.010693   |   0.0 |  7.52
-Neigh   | 0.037908   | 0.037908   | 0.037908   |   0.0 | 26.64
-Comm    | 0.0087049  | 0.0087049  | 0.0087049  |   0.0 |  6.12
-Output  | 0.0025849  | 0.0025849  | 0.0025849  |   0.0 |  1.82
-Modify  | 0.076329   | 0.076329   | 0.076329   |   0.0 | 53.65
-Other   |            | 0.006064   |            |       |  4.26
+Pair    | 0.002526   | 0.0034331  | 0.0041001  |   1.0 |  1.73
+Neigh   | 0.012097   | 0.013092   | 0.013992   |   0.8 |  6.58
+Comm    | 0.075266   | 0.07972    | 0.084679   |   1.2 | 40.09
+Output  | 0.0030892  | 0.0043746  | 0.0081537  |   3.3 |  2.20
+Modify  | 0.088037   | 0.091924   | 0.095021   |   0.9 | 46.23
+Other   |            | 0.006316   |            |       |  3.18
 
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    84 ave 84 max 84 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Nlocal:    20.25 ave 38 max 3 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    27.25 ave 48 max 13 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
 Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Histogram: 4 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.g++.4 b/examples/rigid/log.27Nov18.rigid.g++.1
similarity index 90%
rename from examples/rigid/log.20Apr18.rigid.g++.4
rename to examples/rigid/log.27Nov18.rigid.g++.1
index ff72c213ed..9dff202069 100644
--- a/examples/rigid/log.20Apr18.rigid.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -9,7 +9,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -103,7 +103,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.95 | 4.044 | 4.326 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.979 | 3.979 | 3.979 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -157,8 +157,8 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722854e-05            0    5269.5046    14.510657 
-    2650    16733.017     1.705148            0    5269.5067    14.596295 
+    2600    16738.427 -7.972284e-05            0    5269.5046    14.510657 
+    2650    16733.017    1.7051479            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
     2800    16738.585 -0.046813448            0    5269.5076    14.511073 
@@ -166,7 +166,7 @@ Step Temp E_pair E_mol TotEng Press
     2900    16738.465 -0.0026252725            0     5269.514    14.510277 
     2950    16738.476 -0.0082220764            0     5269.512    14.510223 
     3000     16738.66 -0.071284779            0     5269.507    14.509758 
-    3050    16715.332    7.2419351            0     5269.476    14.870305 
+    3050    16715.332    7.2419352            0     5269.476    14.870305 
     3100    16653.226    26.818761            0    5269.5009    14.496764 
     3150    16739.351  -0.30690375            0    5269.4886    13.643904 
     3200    16733.238    1.6025328            0    5269.4737    12.016934 
@@ -176,7 +176,7 @@ Step Temp E_pair E_mol TotEng Press
     3400    16738.543 -0.042215005            0    5269.4991    12.092809 
     3450    16738.591 -0.059327511            0    5269.4972    12.092536 
     3500    16738.759  -0.11761245            0    5269.4918     12.09203 
-    3550    16713.405     7.846062            0    5269.4737    12.389816 
+    3550    16713.405    7.8460621            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
     3700    16738.602 -0.070934368            0    5269.4889    12.025288 
@@ -274,8 +274,8 @@ Step Temp E_pair E_mol TotEng Press
     8300    16738.471            0            0    5269.5187    12.011719 
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
-    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
+    8450    16738.473 -0.00039690666            0    5269.5189    12.011706 
+    8500    16738.481 -0.0034646804            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532811            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -295,38 +295,38 @@ Step Temp E_pair E_mol TotEng Press
     9350     16738.48            0            0    5269.5214    12.011744 
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
-    9500    16738.481 -0.00037652437            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156159            0    5269.5203    12.011611 
-    9600    16738.549 -0.026814369            0    5269.5163    12.011415 
+    9500    16738.481 -0.00037652434            0    5269.5216    12.011692 
+    9550    16738.493 -0.005315616            0    5269.5203    12.011611 
+    9600    16738.549 -0.026814368            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589887            0    5269.4979    12.062708 
-    9750    16738.013     0.135501            0    5269.5101    11.407245 
-    9800    16738.512 -0.011620329            0    5269.5201    11.394973 
-    9850    16738.489 -0.00067270548            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984569            0    5269.5242    11.395084 
+    9700    16735.041    1.0589885            0    5269.4979    12.062708 
+    9750    16738.013   0.13550123            0    5269.5101    11.407245 
+    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270523            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984554            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.194532 on 4 procs for 10000 steps with 81 atoms
+Loop time of 0.152143 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 444142.918 tau/day, 51405.430 timesteps/s
-96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 567885.005 tau/day, 65727.431 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0025368  | 0.003831   | 0.0045376  |   1.2 |  1.97
-Neigh   | 0.011299   | 0.012014   | 0.013005   |   0.6 |  6.18
-Comm    | 0.081939   | 0.084112   | 0.087817   |   0.8 | 43.24
-Output  | 0.0044608  | 0.0047221  | 0.0053811  |   0.6 |  2.43
-Modify  | 0.078212   | 0.080219   | 0.082467   |   0.7 | 41.24
-Other   |            | 0.009634   |            |       |  4.95
+Pair    | 0.0097773  | 0.0097773  | 0.0097773  |   0.0 |  6.43
+Neigh   | 0.040602   | 0.040602   | 0.040602   |   0.0 | 26.69
+Comm    | 0.012049   | 0.012049   | 0.012049   |   0.0 |  7.92
+Output  | 0.0016172  | 0.0016172  | 0.0016172  |   0.0 |  1.06
+Modify  | 0.083104   | 0.083104   | 0.083104   |   0.0 | 54.62
+Other   |            | 0.004994   |            |       |  3.28
 
-Nlocal:    20.25 ave 38 max 3 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    27.25 ave 48 max 13 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    84 ave 84 max 84 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.g++.1 b/examples/rigid/log.27Nov18.rigid.g++.4
similarity index 92%
rename from examples/rigid/log.20Apr18.rigid.g++.1
rename to examples/rigid/log.27Nov18.rigid.g++.4
index ca76376e32..36e602f1f1 100644
--- a/examples/rigid/log.20Apr18.rigid.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -9,7 +9,7 @@ pair_style	lj/cut 2.5
 
 read_data	data.rigid
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -103,7 +103,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.979 | 3.979 | 3.979 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.95 | 4.044 | 4.326 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -157,7 +157,7 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722839e-05            0    5269.5046    14.510657 
+    2600    16738.427 -7.9722832e-05            0    5269.5046    14.510657 
     2650    16733.017     1.705148            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
@@ -179,7 +179,7 @@ Step Temp E_pair E_mol TotEng Press
     3550    16713.405     7.846062            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
-    3700    16738.602 -0.070934367            0    5269.4889    12.025288 
+    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
     3750    16737.731   0.20706557            0    5269.4927    12.061948 
     3800    16738.578  -0.05582043            0    5269.4965    12.035665 
     3850    16738.471 -0.016307928            0    5269.5024    12.035302 
@@ -275,7 +275,7 @@ Step Temp E_pair E_mol TotEng Press
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
     8450    16738.473 -0.00039690663            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646802            0    5269.5182    12.011643 
+    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -296,37 +296,37 @@ Step Temp E_pair E_mol TotEng Press
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
     9500    16738.481 -0.00037652438            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156162            0    5269.5203    12.011611 
+    9550    16738.493 -0.0053156163            0    5269.5203    12.011611 
     9600    16738.549 -0.026814371            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589893            0    5269.4979    12.062708 
-    9750    16738.013   0.13550102            0    5269.5101    11.407246 
-    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
-    9850    16738.489 -0.00067270521            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984561            0    5269.5242    11.395085 
+    9700    16735.041    1.0589894            0    5269.4979    12.062708 
+    9750    16738.013   0.13550109            0    5269.5101    11.407246 
+    9800    16738.512 -0.011620327            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270507            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984555            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.155936 on 1 procs for 10000 steps with 81 atoms
+Loop time of 0.201762 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 554075.151 tau/day, 64129.068 timesteps/s
-98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 428226.262 tau/day, 49563.225 timesteps/s
+89.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.013007   | 0.013007   | 0.013007   |   0.0 |  8.34
-Neigh   | 0.041885   | 0.041885   | 0.041885   |   0.0 | 26.86
-Comm    | 0.0094752  | 0.0094752  | 0.0094752  |   0.0 |  6.08
-Output  | 0.002636   | 0.002636   | 0.002636   |   0.0 |  1.69
-Modify  | 0.082249   | 0.082249   | 0.082249   |   0.0 | 52.75
-Other   |            | 0.006683   |            |       |  4.29
+Pair    | 0.0025356  | 0.0033935  | 0.0042305  |   1.0 |  1.68
+Neigh   | 0.012009   | 0.012959   | 0.015092   |   1.1 |  6.42
+Comm    | 0.07666    | 0.086213   | 0.092506   |   2.0 | 42.73
+Output  | 0.0032623  | 0.0052034  | 0.011      |   4.6 |  2.58
+Modify  | 0.084815   | 0.087869   | 0.089999   |   0.6 | 43.55
+Other   |            | 0.006125   |            |       |  3.04
 
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    84 ave 84 max 84 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Nlocal:    20.25 ave 38 max 3 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    27.25 ave 48 max 13 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
 Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Histogram: 4 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.nve.early.g++.1 b/examples/rigid/log.27Nov18.rigid.nve.early.g++.1
similarity index 71%
rename from examples/rigid/log.20Apr18.rigid.nve.early.g++.1
rename to examples/rigid/log.27Nov18.rigid.nve.early.g++.1
index 7e92b4e6ef..1e426d397e 100644
--- a/examples/rigid/log.20Apr18.rigid.nve.early.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.nve.early.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -202,126 +202,126 @@ Step Temp E_pair E_mol TotEng Press
     4600    16738.425            0            0    5269.5042    12.383376 
     4650    16738.404 -0.0014438316            0    5269.4961    12.383299 
     4700    16738.444 -0.024020551            0    5269.4862    12.382975 
-    4750     16738.49 -0.048521421            0    5269.4761    12.385777 
-    4800    16735.057    1.0347219            0    5269.4786     12.43543 
-    4850    16735.441   0.92650928            0    5269.4913    12.418653 
-    4900    16723.839    4.5908971            0    5269.5033    13.410103 
-    4950    16738.531 -0.021537669            0    5269.5159    13.089982 
-    5000     16738.45 -0.0042589693            0    5269.5077    13.090062 
-    5050    16738.409 -0.00024692474            0    5269.4987    13.090038 
+    4750     16738.49  -0.04852143            0    5269.4761    12.385777 
+    4800    16735.057    1.0347216            0    5269.4786     12.43543 
+    4850    16735.441   0.92650925            0    5269.4913    12.418653 
+    4900    16723.839    4.5908974            0    5269.5033    13.410103 
+    4950    16738.531  -0.02153767            0    5269.5159    13.089982 
+    5000     16738.45 -0.0042589697            0    5269.5077    13.090062 
+    5050    16738.409 -0.00024692476            0    5269.4987    13.090038 
     5100    16738.404            0            0    5269.4976    13.090032 
     5150    16738.421            0            0    5269.5029    13.090073 
     5200     16738.44            0            0    5269.5087    13.090119 
-    5250    16738.448 -0.0012793921            0    5269.5102    13.090114 
-    5300    16738.456 -0.0064376397            0    5269.5075    13.090026 
-    5350    16738.479 -0.020383842            0    5269.5007    13.089898 
-    5400    16735.845   0.79889481            0    5269.4909    13.136244 
-    5450    16735.558   0.87619898            0    5269.4778    12.324482 
-    5500    16711.494      8.47243            0    5269.4984     12.65658 
-    5550    16454.525    89.074845            0    5269.2031    16.996503 
-    5600    16713.084    7.9801091            0    5269.5065    13.774971 
-    5650    16738.676 -0.079987812            0    5269.5033    13.168292 
-    5700    16446.281    91.866085            0     5269.399    23.764658 
-    5750    16738.549 -0.039869082            0    5269.5034    13.378117 
-    5800    16738.487 -0.014994464            0    5269.5086    13.378394 
-    5850    16738.466 -0.0051267378            0     5269.512    13.378555 
-    5900    16738.462 -0.0043689966            0    5269.5113    13.378568 
-    5950    16738.528 -0.032727396            0    5269.5039    13.378192 
-    6000    16702.774    10.969422            0    5269.2502    13.788847 
-    6050    16682.271    17.483217            0    5269.3092    13.353098 
-    6100    16738.508 -0.028838289            0    5269.5016    12.521077 
-    6150    16738.425 -0.0067595568            0    5269.4974    12.521216 
-    6200    16738.401 -0.0011499904            0    5269.4955    12.521247 
-    6250    16738.455            0            0    5269.5136    12.521403 
-    6300    16738.523            0            0    5269.5352    12.521573 
-    6350    16738.503            0            0    5269.5287    12.521525 
-    6400    16738.427            0            0    5269.5047    12.521337 
-    6450    16738.399            0            0     5269.496    12.521268 
-    6500    16738.425            0            0    5269.5042    12.521331 
-    6550    16738.441            0            0    5269.5093    12.521372 
-    6600     16738.42            0            0    5269.5025    12.521319 
-    6650    16738.398            0            0    5269.4957    12.521266 
-    6700    16738.435            0            0    5269.5074    12.521355 
-    6750    16738.505            0            0    5269.5293    12.521527 
-    6800    16738.508            0            0    5269.5303    12.521536 
-    6850    16738.446            0            0    5269.5108    12.521384 
-    6900    16738.414            0            0    5269.5009    12.521306 
-    6950    16738.432            0            0    5269.5063    12.521348 
-    7000    16738.444            0            0    5269.5102    12.521378 
-    7050    16738.421            0            0    5269.5029    12.521322 
-    7100    16738.393            0            0    5269.4941    12.521253 
-    7150    16738.419            0            0    5269.5022    12.521315 
-    7200    16738.489            0            0    5269.5244    12.521489 
-    7250    16738.505            0            0    5269.5293    12.521528 
-    7300    16738.443            0            0    5269.5098    12.521376 
-    7350    16738.404            0            0    5269.4976    12.521281 
-    7400     16738.43            0            0    5269.5058    12.521343 
-    7450    16738.461            0            0    5269.5156    12.521421 
-    7500    16738.447            0            0    5269.5109    12.521385 
-    7550    16738.407            0            0    5269.4986    12.521288 
-    7600    16738.412            0            0    5269.5002      12.5213 
-    7650    16738.478            0            0    5269.5208     12.52146 
-    7700     16738.51            0            0    5269.5309    12.521541 
-    7750    16738.454            0            0    5269.5135    12.521405 
-    7800    16738.398            0            0    5269.4958    12.521267 
-    7850    16738.407 -0.0002118068            0    5269.4982    12.521283 
-    7900    16738.441 -0.00021679441            0     5269.509    12.521366 
-    7950    16738.446 -0.00023847865            0    5269.5107     12.52138 
-    8000    16738.423            0            0    5269.5035    12.521326 
-    8050    16738.423            0            0    5269.5034    12.521325 
-    8100    16738.478 -0.00069624411            0      5269.52    12.521447 
-    8150    16738.523 -0.0040058094            0     5269.531    12.521494 
-    8200    16738.486 -0.0092298399            0    5269.5142    12.521327 
-    8250    16738.458 -0.023189572            0    5269.4914    12.521008 
-    8300    16738.513 -0.045847775            0    5269.4861    12.520773 
-    8350    16723.734    4.5722877            0    5269.4516    12.849562 
-    8400    16738.466 -0.020202622            0     5269.497    12.835807 
-    8450    16738.437 -0.012822209            0    5269.4952    12.829975 
-    8500    16738.408 -0.001683355            0    5269.4972      12.8301 
-    8550    16738.464 -0.00097382251            0    5269.5155    12.830254 
-    8600    16738.669 -0.050581166            0    5269.5304    12.829973 
-    8650    15918.256    250.07455            0    5261.3774    24.539208 
-    8700    16738.446 0.00084613367            0    5269.5116    10.591358 
-    8750    16738.472 -0.010145611            0    5269.5089    10.590277 
-    8800    16738.468            0            0    5269.5176    10.590497 
-    8850    16738.508            0            0    5269.5303    10.590596 
-    8900    16738.509            0            0    5269.5306    10.590599 
-    8950    16738.496            0            0    5269.5266    10.590568 
-    9000    16738.477            0            0    5269.5204     10.59052 
-    9050    16738.455            0            0    5269.5135    10.590465 
-    9100    16738.477            0            0    5269.5205    10.590519 
-    9150    16738.512            0            0    5269.5315    10.590606 
-    9200    16738.502            0            0    5269.5285    10.590583 
-    9250    16738.493            0            0    5269.5254    10.590559 
-    9300    16738.482            0            0     5269.522    10.590532 
-    9350     16738.46            0            0    5269.5151    10.590478 
-    9400     16738.48            0            0    5269.5216    10.590528 
-    9450    16738.509            0            0    5269.5306    10.590599 
-    9500     16738.49            0            0    5269.5247    10.590554 
-    9550    16738.484            0            0    5269.5226    10.590536 
-    9600    16738.483            0            0    5269.5223    10.590534 
-    9650    16738.464            0            0    5269.5165    10.590489 
-    9700    16738.484            0            0    5269.5228    10.590537 
-    9750    16738.507            0            0      5269.53    10.590595 
-    9800    16738.482            0            0     5269.522    10.590532 
-    9850    16738.478            0            0    5269.5207    10.590521 
-    9900    16738.487 -0.00030979882            0    5269.5233    10.590538 
-    9950    16738.476 -0.00095967357            0    5269.5193    10.590496 
-   10000    16738.494 -0.00062714625            0    5269.5253    10.590548 
-Loop time of 0.166298 on 1 procs for 10000 steps with 81 atoms
+    5250    16738.448 -0.001279392            0    5269.5102    13.090114 
+    5300    16738.456 -0.0064376391            0    5269.5075    13.090026 
+    5350    16738.479 -0.020383841            0    5269.5007    13.089897 
+    5400    16735.845    0.7988947            0    5269.4909    13.136244 
+    5450    16735.558   0.87620022            0    5269.4778    12.324482 
+    5500    16711.494    8.4724178            0    5269.4984    12.656579 
+    5550    16454.525    89.074815            0    5269.2031    16.996503 
+    5600    16713.084    7.9801418            0    5269.5065    13.774979 
+    5650    16738.676 -0.079987748            0    5269.5033    13.168297 
+    5700    16446.281    91.866085            0     5269.399    23.764663 
+    5750    16738.549 -0.039869084            0    5269.5034    13.378122 
+    5800    16738.487 -0.014994478            0    5269.5086    13.378399 
+    5850    16738.466 -0.0051267616            0     5269.512     13.37856 
+    5900    16738.462 -0.0043690142            0    5269.5113    13.378573 
+    5950    16738.528 -0.032727415            0    5269.5039    13.378197 
+    6000    16702.774    10.969438            0    5269.2502    13.788852 
+    6050    16682.271    17.483137            0    5269.3092    13.353101 
+    6100    16738.508 -0.028838222            0    5269.5016    12.521084 
+    6150    16738.425 -0.0067595536            0    5269.4974    12.521223 
+    6200    16738.401 -0.0011499893            0    5269.4955    12.521254 
+    6250    16738.455            0            0    5269.5135     12.52141 
+    6300    16738.523            0            0    5269.5352     12.52158 
+    6350    16738.503            0            0    5269.5287    12.521531 
+    6400    16738.427            0            0    5269.5047    12.521344 
+    6450    16738.399            0            0     5269.496    12.521274 
+    6500    16738.425            0            0    5269.5042    12.521337 
+    6550    16738.441            0            0    5269.5093    12.521378 
+    6600     16738.42            0            0    5269.5025    12.521326 
+    6650    16738.398            0            0    5269.4957    12.521272 
+    6700    16738.435            0            0    5269.5074    12.521362 
+    6750    16738.505            0            0    5269.5293    12.521534 
+    6800    16738.508            0            0    5269.5303    12.521543 
+    6850    16738.446            0            0    5269.5108    12.521391 
+    6900    16738.414            0            0    5269.5009    12.521312 
+    6950    16738.432            0            0    5269.5063    12.521354 
+    7000    16738.444            0            0    5269.5102    12.521385 
+    7050    16738.421            0            0    5269.5029    12.521329 
+    7100    16738.393            0            0    5269.4941    12.521259 
+    7150    16738.419            0            0    5269.5022    12.521322 
+    7200    16738.489            0            0    5269.5244    12.521495 
+    7250    16738.505            0            0    5269.5293    12.521535 
+    7300    16738.443            0            0    5269.5098    12.521383 
+    7350    16738.404            0            0    5269.4976    12.521287 
+    7400     16738.43            0            0    5269.5058     12.52135 
+    7450    16738.461            0            0    5269.5156    12.521427 
+    7500    16738.447            0            0    5269.5109    12.521392 
+    7550    16738.407            0            0    5269.4986    12.521295 
+    7600    16738.412            0            0    5269.5002    12.521306 
+    7650    16738.478            0            0    5269.5208    12.521467 
+    7700     16738.51            0            0    5269.5309    12.521547 
+    7750    16738.454            0            0    5269.5135    12.521412 
+    7800    16738.398            0            0    5269.4958    12.521273 
+    7850    16738.407 -0.0002118108            0    5269.4982    12.521289 
+    7900    16738.441 -0.00021679711            0     5269.509    12.521373 
+    7950    16738.446 -0.00023848139            0    5269.5107    12.521386 
+    8000    16738.423            0            0    5269.5035    12.521333 
+    8050    16738.423            0            0    5269.5034    12.521332 
+    8100    16738.478 -0.00069622994            0      5269.52    12.521454 
+    8150    16738.523 -0.0040058408            0     5269.531    12.521501 
+    8200    16738.486 -0.0092298229            0    5269.5142    12.521334 
+    8250    16738.458 -0.023189671            0    5269.4914    12.521014 
+    8300    16738.513 -0.045845677            0    5269.4861    12.520779 
+    8350    16723.745    4.5690412            0    5269.4516    12.849325 
+    8400    16738.466 -0.020158442            0     5269.497    12.835773 
+    8450    16738.437 -0.012822892            0    5269.4952    12.829936 
+    8500    16738.408 -0.0016837088            0    5269.4972    12.830061 
+    8550    16738.464 -0.00097379467            0    5269.5155    12.830216 
+    8600    16738.669 -0.050578079            0    5269.5304    12.829934 
+    8650    15917.563    250.28318            0    5261.3678     24.54572 
+    8700    16738.445 0.0012168759            0    5269.5117    10.589499 
+    8750    16738.473 -0.010164589            0     5269.509    10.588414 
+    8800    16738.468            0            0    5269.5177    10.588633 
+    8850    16738.508            0            0    5269.5304    10.588733 
+    8900    16738.509            0            0    5269.5307    10.588736 
+    8950    16738.496            0            0    5269.5266    10.588705 
+    9000    16738.477            0            0    5269.5204    10.588656 
+    9050    16738.455            0            0    5269.5135    10.588602 
+    9100    16738.477            0            0    5269.5206    10.588656 
+    9150    16738.512            0            0    5269.5316    10.588743 
+    9200    16738.502            0            0    5269.5285     10.58872 
+    9250    16738.493            0            0    5269.5255    10.588696 
+    9300    16738.482            0            0     5269.522    10.588669 
+    9350     16738.46            0            0    5269.5151    10.588615 
+    9400    16738.481            0            0    5269.5217    10.588665 
+    9450    16738.509            0            0    5269.5307    10.588736 
+    9500    16738.491            0            0    5269.5248     10.58869 
+    9550    16738.484            0            0    5269.5227    10.588674 
+    9600    16738.483            0            0    5269.5223    10.588671 
+    9650    16738.464            0            0    5269.5166    10.588626 
+    9700    16738.484            0            0    5269.5229    10.588674 
+    9750    16738.507            0            0    5269.5301    10.588731 
+    9800    16738.482            0            0    5269.5221    10.588669 
+    9850    16738.478            0            0    5269.5208    10.588659 
+    9900    16738.487 -0.00030979474            0    5269.5233    10.588675 
+    9950    16738.476 -0.00095968581            0    5269.5193    10.588632 
+   10000    16738.494 -0.00062717822            0    5269.5253    10.588684 
+Loop time of 0.168577 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 519549.516 tau/day, 60133.046 timesteps/s
-99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 512524.843 tau/day, 59320.005 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.011685   | 0.011685   | 0.011685   |   0.0 |  7.03
-Neigh   | 0.038539   | 0.038539   | 0.038539   |   0.0 | 23.17
-Comm    | 0.0086315  | 0.0086315  | 0.0086315  |   0.0 |  5.19
-Output  | 0.0026531  | 0.0026531  | 0.0026531  |   0.0 |  1.60
-Modify  | 0.098759   | 0.098759   | 0.098759   |   0.0 | 59.39
-Other   |            | 0.00603    |            |       |  3.63
+Pair    | 0.010812   | 0.010812   | 0.010812   |   0.0 |  6.41
+Neigh   | 0.04144    | 0.04144    | 0.04144    |   0.0 | 24.58
+Comm    | 0.012082   | 0.012082   | 0.012082   |   0.0 |  7.17
+Output  | 0.0016394  | 0.0016394  | 0.0016394  |   0.0 |  0.97
+Modify  | 0.097466   | 0.097466   | 0.097466   |   0.0 | 57.82
+Other   |            | 0.005139   |            |       |  3.05
 
 Nlocal:    81 ave 81 max 81 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/rigid/log.20Apr18.rigid.nve.early.g++.4 b/examples/rigid/log.27Nov18.rigid.nve.early.g++.4
similarity index 72%
rename from examples/rigid/log.20Apr18.rigid.nve.early.g++.4
rename to examples/rigid/log.27Nov18.rigid.nve.early.g++.4
index 1c3592990b..5b775d969a 100644
--- a/examples/rigid/log.20Apr18.rigid.nve.early.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.nve.early.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -202,126 +202,126 @@ Step Temp E_pair E_mol TotEng Press
     4600    16738.425            0            0    5269.5042    12.383376 
     4650    16738.404 -0.0014438316            0    5269.4961    12.383299 
     4700    16738.444 -0.024020551            0    5269.4862    12.382975 
-    4750     16738.49 -0.048521424            0    5269.4761    12.385777 
-    4800    16735.057    1.0347218            0    5269.4786     12.43543 
+    4750     16738.49 -0.048521428            0    5269.4761    12.385777 
+    4800    16735.057    1.0347217            0    5269.4786     12.43543 
     4850    16735.441   0.92650925            0    5269.4913    12.418653 
     4900    16723.839    4.5908973            0    5269.5033    13.410103 
-    4950    16738.531 -0.021537669            0    5269.5159    13.089982 
-    5000     16738.45 -0.0042589693            0    5269.5077    13.090062 
-    5050    16738.409 -0.00024692474            0    5269.4987    13.090038 
+    4950    16738.531  -0.02153767            0    5269.5159    13.089982 
+    5000     16738.45 -0.0042589696            0    5269.5077    13.090062 
+    5050    16738.409 -0.00024692476            0    5269.4987    13.090038 
     5100    16738.404            0            0    5269.4976    13.090032 
     5150    16738.421            0            0    5269.5029    13.090073 
     5200     16738.44            0            0    5269.5087    13.090119 
-    5250    16738.448 -0.0012793921            0    5269.5102    13.090114 
-    5300    16738.456 -0.0064376396            0    5269.5075    13.090026 
-    5350    16738.479 -0.020383843            0    5269.5007    13.089898 
-    5400    16735.845   0.79889489            0    5269.4909    13.136244 
-    5450    16735.558   0.87619907            0    5269.4778    12.324482 
-    5500    16711.494    8.4724273            0    5269.4984    12.656579 
-    5550    16454.525    89.074821            0    5269.2031    16.996502 
-    5600    16713.084    7.9801107            0    5269.5065    13.774972 
-    5650    16738.676 -0.079987805            0    5269.5033    13.168292 
-    5700    16446.281    91.866085            0     5269.399    23.764659 
-    5750    16738.549 -0.039869082            0    5269.5034    13.378118 
-    5800    16738.487 -0.014994465            0    5269.5086    13.378394 
-    5850    16738.466 -0.0051267396            0     5269.512    13.378555 
-    5900    16738.462 -0.004368998            0    5269.5113    13.378568 
-    5950    16738.528 -0.032727397            0    5269.5039    13.378192 
-    6000    16702.774    10.969422            0    5269.2502    13.788847 
-    6050    16682.271    17.483223            0    5269.3092    13.353098 
-    6100    16738.508 -0.028838294            0    5269.5016    12.521077 
-    6150    16738.425 -0.0067595586            0    5269.4974    12.521216 
-    6200    16738.401 -0.0011499906            0    5269.4955    12.521248 
-    6250    16738.455            0            0    5269.5136    12.521404 
-    6300    16738.523            0            0    5269.5352    12.521573 
-    6350    16738.503            0            0    5269.5287    12.521525 
-    6400    16738.427            0            0    5269.5047    12.521337 
-    6450    16738.399            0            0     5269.496    12.521268 
-    6500    16738.425            0            0    5269.5042    12.521331 
-    6550    16738.441            0            0    5269.5093    12.521372 
-    6600     16738.42            0            0    5269.5025    12.521319 
-    6650    16738.398            0            0    5269.4957    12.521266 
-    6700    16738.435            0            0    5269.5074    12.521355 
-    6750    16738.505            0            0    5269.5293    12.521527 
-    6800    16738.508            0            0    5269.5303    12.521536 
-    6850    16738.446            0            0    5269.5108    12.521384 
-    6900    16738.414            0            0    5269.5009    12.521306 
-    6950    16738.432            0            0    5269.5063    12.521348 
-    7000    16738.444            0            0    5269.5102    12.521379 
-    7050    16738.421            0            0    5269.5029    12.521322 
-    7100    16738.393            0            0    5269.4941    12.521253 
-    7150    16738.419            0            0    5269.5022    12.521315 
-    7200    16738.489            0            0    5269.5244    12.521489 
-    7250    16738.505            0            0    5269.5293    12.521528 
-    7300    16738.443            0            0    5269.5098    12.521377 
-    7350    16738.404            0            0    5269.4976    12.521281 
-    7400     16738.43            0            0    5269.5058    12.521344 
-    7450    16738.461            0            0    5269.5156    12.521421 
-    7500    16738.447            0            0    5269.5109    12.521385 
-    7550    16738.407            0            0    5269.4986    12.521288 
-    7600    16738.412            0            0    5269.5002      12.5213 
-    7650    16738.478            0            0    5269.5208    12.521461 
-    7700     16738.51            0            0    5269.5309    12.521541 
-    7750    16738.454            0            0    5269.5135    12.521406 
-    7800    16738.398            0            0    5269.4958    12.521267 
-    7850    16738.407 -0.00021180715            0    5269.4982    12.521283 
-    7900    16738.441 -0.0002167946            0     5269.509    12.521367 
-    7950    16738.446 -0.0002384787            0    5269.5107     12.52138 
-    8000    16738.423            0            0    5269.5035    12.521327 
-    8050    16738.423            0            0    5269.5034    12.521325 
-    8100    16738.478 -0.00069624484            0      5269.52    12.521448 
-    8150    16738.523 -0.0040058183            0     5269.531    12.521494 
-    8200    16738.486 -0.0092298512            0    5269.5142    12.521328 
-    8250    16738.458 -0.023189661            0    5269.4914    12.521008 
-    8300    16738.513 -0.045847765            0    5269.4861    12.520773 
-    8350    16723.735    4.5720344            0    5269.4516    12.849543 
-    8400    16738.466  -0.02019859            0     5269.497    12.835812 
-    8450    16738.437 -0.012822198            0    5269.4952    12.829979 
-    8500    16738.408 -0.0016833646            0    5269.4972    12.830104 
-    8550    16738.464 -0.00097382606            0    5269.5155    12.830258 
-    8600    16738.669 -0.050581176            0    5269.5304    12.829977 
-    8650    15918.073      250.131            0    5261.3761    24.542327 
-    8700    16738.446 0.00085039409            0    5269.5116     10.59114 
-    8750    16738.472 -0.010146632            0    5269.5089    10.590059 
-    8800    16738.468            0            0    5269.5176    10.590278 
-    8850    16738.508            0            0    5269.5303    10.590378 
-    8900    16738.509            0            0    5269.5306    10.590381 
-    8950    16738.496            0            0    5269.5266    10.590349 
-    9000    16738.477            0            0    5269.5204    10.590302 
-    9050    16738.455            0            0    5269.5135    10.590247 
-    9100    16738.477            0            0    5269.5205    10.590301 
-    9150    16738.512            0            0    5269.5315    10.590388 
-    9200    16738.502            0            0    5269.5285    10.590364 
-    9250    16738.493            0            0    5269.5254     10.59034 
-    9300    16738.482            0            0     5269.522    10.590314 
-    9350     16738.46            0            0    5269.5151     10.59026 
-    9400     16738.48            0            0    5269.5216     10.59031 
-    9450    16738.509            0            0    5269.5306    10.590381 
-    9500     16738.49            0            0    5269.5247    10.590335 
-    9550    16738.484            0            0    5269.5226    10.590318 
-    9600    16738.483            0            0    5269.5223    10.590316 
-    9650    16738.464            0            0    5269.5165    10.590271 
-    9700    16738.484            0            0    5269.5228    10.590319 
-    9750    16738.507            0            0      5269.53    10.590376 
-    9800    16738.482            0            0     5269.522    10.590314 
-    9850    16738.478            0            0    5269.5207    10.590303 
-    9900    16738.487 -0.00030979874            0    5269.5233     10.59032 
-    9950    16738.476 -0.00095967134            0    5269.5192    10.590278 
-   10000    16738.494 -0.00062714318            0    5269.5253    10.590329 
-Loop time of 0.224811 on 4 procs for 10000 steps with 81 atoms
+    5250    16738.448 -0.001279392            0    5269.5102    13.090114 
+    5300    16738.456 -0.0064376392            0    5269.5075    13.090026 
+    5350    16738.479 -0.020383842            0    5269.5007    13.089897 
+    5400    16735.845   0.79889474            0    5269.4909    13.136244 
+    5450    16735.558   0.87619992            0    5269.4778    12.324482 
+    5500    16711.494    8.4724208            0    5269.4984    12.656579 
+    5550    16454.525    89.074816            0    5269.2031    16.996503 
+    5600    16713.084    7.9801334            0    5269.5065    13.774977 
+    5650    16738.676 -0.079987764            0    5269.5033    13.168295 
+    5700    16446.281    91.866085            0     5269.399    23.764662 
+    5750    16738.549 -0.039869084            0    5269.5034    13.378121 
+    5800    16738.487 -0.014994475            0    5269.5086    13.378397 
+    5850    16738.466 -0.0051267556            0     5269.512    13.378559 
+    5900    16738.462 -0.0043690097            0    5269.5113    13.378572 
+    5950    16738.528  -0.03272741            0    5269.5039    13.378195 
+    6000    16702.774    10.969434            0    5269.2502    13.788851 
+    6050    16682.271    17.483158            0    5269.3092      13.3531 
+    6100    16738.508 -0.028838239            0    5269.5016    12.521082 
+    6150    16738.425 -0.0067595542            0    5269.4974    12.521221 
+    6200    16738.401 -0.0011499896            0    5269.4955    12.521252 
+    6250    16738.455            0            0    5269.5135    12.521408 
+    6300    16738.523            0            0    5269.5352    12.521578 
+    6350    16738.503            0            0    5269.5287     12.52153 
+    6400    16738.427            0            0    5269.5047    12.521342 
+    6450    16738.399            0            0     5269.496    12.521273 
+    6500    16738.425            0            0    5269.5042    12.521336 
+    6550    16738.441            0            0    5269.5093    12.521377 
+    6600     16738.42            0            0    5269.5025    12.521324 
+    6650    16738.398            0            0    5269.4957     12.52127 
+    6700    16738.435            0            0    5269.5074     12.52136 
+    6750    16738.505            0            0    5269.5293    12.521532 
+    6800    16738.508            0            0    5269.5303    12.521541 
+    6850    16738.446            0            0    5269.5108    12.521389 
+    6900    16738.414            0            0    5269.5009    12.521311 
+    6950    16738.432            0            0    5269.5063    12.521353 
+    7000    16738.444            0            0    5269.5102    12.521383 
+    7050    16738.421            0            0    5269.5029    12.521327 
+    7100    16738.393            0            0    5269.4941    12.521258 
+    7150    16738.419            0            0    5269.5022     12.52132 
+    7200    16738.489            0            0    5269.5244    12.521494 
+    7250    16738.505            0            0    5269.5293    12.521533 
+    7300    16738.443            0            0    5269.5098    12.521381 
+    7350    16738.404            0            0    5269.4976    12.521285 
+    7400     16738.43            0            0    5269.5058    12.521348 
+    7450    16738.461            0            0    5269.5156    12.521425 
+    7500    16738.447            0            0    5269.5109     12.52139 
+    7550    16738.407            0            0    5269.4986    12.521293 
+    7600    16738.412            0            0    5269.5002    12.521305 
+    7650    16738.478            0            0    5269.5208    12.521465 
+    7700     16738.51            0            0    5269.5309    12.521546 
+    7750    16738.454            0            0    5269.5135     12.52141 
+    7800    16738.398            0            0    5269.4958    12.521272 
+    7850    16738.407 -0.00021180981            0    5269.4982    12.521288 
+    7900    16738.441 -0.0002167964            0     5269.509    12.521371 
+    7950    16738.446 -0.00023848065            0    5269.5107    12.521385 
+    8000    16738.423            0            0    5269.5035    12.521331 
+    8050    16738.423            0            0    5269.5034     12.52133 
+    8100    16738.478 -0.00069623408            0      5269.52    12.521452 
+    8150    16738.523 -0.0040058355            0     5269.531    12.521499 
+    8200    16738.486 -0.0092298325            0    5269.5142    12.521332 
+    8250    16738.458 -0.023189665            0    5269.4914    12.521012 
+    8300    16738.513 -0.045846242            0    5269.4861    12.520778 
+    8350    16723.742    4.5698786            0    5269.4516    12.849386 
+    8400    16738.466  -0.02016972            0     5269.497    12.835784 
+    8450    16738.437 -0.012822703            0    5269.4952    12.829948 
+    8500    16738.408 -0.0016836132            0    5269.4972    12.830073 
+    8550    16738.464 -0.00097380297            0    5269.5155    12.830227 
+    8600    16738.669 -0.050578946            0    5269.5304    12.829946 
+    8650    15917.707    250.24016            0    5261.3702    24.544744 
+    8700    16738.445 0.0010615265            0    5269.5117    10.589987 
+    8750    16738.473 -0.010158834            0     5269.509    10.588904 
+    8800    16738.468            0            0    5269.5176    10.589124 
+    8850    16738.508            0            0    5269.5304    10.589223 
+    8900    16738.509            0            0    5269.5306    10.589226 
+    8950    16738.496            0            0    5269.5266    10.589195 
+    9000    16738.477            0            0    5269.5204    10.589147 
+    9050    16738.455            0            0    5269.5135    10.589092 
+    9100    16738.477            0            0    5269.5206    10.589146 
+    9150    16738.512            0            0    5269.5316    10.589233 
+    9200    16738.502            0            0    5269.5285     10.58921 
+    9250    16738.493            0            0    5269.5255    10.589186 
+    9300    16738.482            0            0     5269.522    10.589159 
+    9350     16738.46            0            0    5269.5151    10.589105 
+    9400    16738.481            0            0    5269.5217    10.589155 
+    9450    16738.509            0            0    5269.5307    10.589226 
+    9500    16738.491            0            0    5269.5248    10.589181 
+    9550    16738.484            0            0    5269.5227    10.589164 
+    9600    16738.483            0            0    5269.5223    10.589161 
+    9650    16738.464            0            0    5269.5166    10.589116 
+    9700    16738.484            0            0    5269.5228    10.589164 
+    9750    16738.507            0            0    5269.5301    10.589221 
+    9800    16738.482            0            0    5269.5221    10.589159 
+    9850    16738.478            0            0    5269.5208    10.589149 
+    9900    16738.487 -0.00030979591            0    5269.5233    10.589165 
+    9950    16738.476 -0.0009596827            0    5269.5193    10.589123 
+   10000    16738.494 -0.0006271698            0    5269.5253    10.589175 
+Loop time of 0.213152 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 384323.005 tau/day, 44481.829 timesteps/s
-95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 405345.239 tau/day, 46914.958 timesteps/s
+91.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0032673  | 0.0039269  | 0.0048387  |   1.1 |  1.75
-Neigh   | 0.010401   | 0.012159   | 0.015022   |   1.6 |  5.41
-Comm    | 0.087584   | 0.08909    | 0.090645   |   0.4 | 39.63
-Output  | 0.0042956  | 0.0045624  | 0.0052695  |   0.6 |  2.03
-Modify  | 0.10208    | 0.10506    | 0.10697    |   0.6 | 46.73
-Other   |            | 0.01001    |            |       |  4.45
+Pair    | 0.0029514  | 0.0038354  | 0.005348   |   1.5 |  1.80
+Neigh   | 0.01178    | 0.013139   | 0.0167     |   1.8 |  6.16
+Comm    | 0.073879   | 0.078553   | 0.081131   |   1.0 | 36.85
+Output  | 0.0031943  | 0.0037987  | 0.0055451  |   1.6 |  1.78
+Modify  | 0.10553    | 0.10763    | 0.1096     |   0.4 | 50.49
+Other   |            | 0.0062     |            |       |  2.91
 
 Nlocal:    20.25 ave 34 max 9 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
diff --git a/examples/rigid/log.20Apr18.rigid.nve.g++.1 b/examples/rigid/log.27Nov18.rigid.nve.g++.1
similarity index 71%
rename from examples/rigid/log.20Apr18.rigid.nve.g++.1
rename to examples/rigid/log.27Nov18.rigid.nve.g++.1
index 26fa4e7f68..c3805dc42e 100644
--- a/examples/rigid/log.20Apr18.rigid.nve.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.nve.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -200,126 +200,126 @@ Step Temp E_pair E_mol TotEng Press
     4600    16738.425            0            0    5269.5042    12.383376 
     4650    16738.404 -0.0014438316            0    5269.4961    12.383299 
     4700    16738.444 -0.024020551            0    5269.4862    12.382975 
-    4750     16738.49 -0.048521421            0    5269.4761    12.385777 
-    4800    16735.057    1.0347219            0    5269.4786     12.43543 
-    4850    16735.441   0.92650928            0    5269.4913    12.418653 
-    4900    16723.839    4.5908971            0    5269.5033    13.410103 
-    4950    16738.531 -0.021537669            0    5269.5159    13.089982 
-    5000     16738.45 -0.0042589693            0    5269.5077    13.090062 
-    5050    16738.409 -0.00024692474            0    5269.4987    13.090038 
+    4750     16738.49  -0.04852143            0    5269.4761    12.385777 
+    4800    16735.057    1.0347216            0    5269.4786     12.43543 
+    4850    16735.441   0.92650925            0    5269.4913    12.418653 
+    4900    16723.839    4.5908974            0    5269.5033    13.410103 
+    4950    16738.531  -0.02153767            0    5269.5159    13.089982 
+    5000     16738.45 -0.0042589697            0    5269.5077    13.090062 
+    5050    16738.409 -0.00024692476            0    5269.4987    13.090038 
     5100    16738.404            0            0    5269.4976    13.090032 
     5150    16738.421            0            0    5269.5029    13.090073 
     5200     16738.44            0            0    5269.5087    13.090119 
-    5250    16738.448 -0.0012793921            0    5269.5102    13.090114 
-    5300    16738.456 -0.0064376397            0    5269.5075    13.090026 
-    5350    16738.479 -0.020383842            0    5269.5007    13.089898 
-    5400    16735.845   0.79889481            0    5269.4909    13.136244 
-    5450    16735.558   0.87619898            0    5269.4778    12.324482 
-    5500    16711.494      8.47243            0    5269.4984     12.65658 
-    5550    16454.525    89.074845            0    5269.2031    16.996503 
-    5600    16713.084    7.9801091            0    5269.5065    13.774971 
-    5650    16738.676 -0.079987812            0    5269.5033    13.168292 
-    5700    16446.281    91.866085            0     5269.399    23.764658 
-    5750    16738.549 -0.039869082            0    5269.5034    13.378117 
-    5800    16738.487 -0.014994464            0    5269.5086    13.378394 
-    5850    16738.466 -0.0051267378            0     5269.512    13.378555 
-    5900    16738.462 -0.0043689966            0    5269.5113    13.378568 
-    5950    16738.528 -0.032727396            0    5269.5039    13.378192 
-    6000    16702.774    10.969422            0    5269.2502    13.788847 
-    6050    16682.271    17.483217            0    5269.3092    13.353098 
-    6100    16738.508 -0.028838289            0    5269.5016    12.521077 
-    6150    16738.425 -0.0067595568            0    5269.4974    12.521216 
-    6200    16738.401 -0.0011499904            0    5269.4955    12.521247 
-    6250    16738.455            0            0    5269.5136    12.521403 
-    6300    16738.523            0            0    5269.5352    12.521573 
-    6350    16738.503            0            0    5269.5287    12.521525 
-    6400    16738.427            0            0    5269.5047    12.521337 
-    6450    16738.399            0            0     5269.496    12.521268 
-    6500    16738.425            0            0    5269.5042    12.521331 
-    6550    16738.441            0            0    5269.5093    12.521372 
-    6600     16738.42            0            0    5269.5025    12.521319 
-    6650    16738.398            0            0    5269.4957    12.521266 
-    6700    16738.435            0            0    5269.5074    12.521355 
-    6750    16738.505            0            0    5269.5293    12.521527 
-    6800    16738.508            0            0    5269.5303    12.521536 
-    6850    16738.446            0            0    5269.5108    12.521384 
-    6900    16738.414            0            0    5269.5009    12.521306 
-    6950    16738.432            0            0    5269.5063    12.521348 
-    7000    16738.444            0            0    5269.5102    12.521378 
-    7050    16738.421            0            0    5269.5029    12.521322 
-    7100    16738.393            0            0    5269.4941    12.521253 
-    7150    16738.419            0            0    5269.5022    12.521315 
-    7200    16738.489            0            0    5269.5244    12.521489 
-    7250    16738.505            0            0    5269.5293    12.521528 
-    7300    16738.443            0            0    5269.5098    12.521376 
-    7350    16738.404            0            0    5269.4976    12.521281 
-    7400     16738.43            0            0    5269.5058    12.521343 
-    7450    16738.461            0            0    5269.5156    12.521421 
-    7500    16738.447            0            0    5269.5109    12.521385 
-    7550    16738.407            0            0    5269.4986    12.521288 
-    7600    16738.412            0            0    5269.5002      12.5213 
-    7650    16738.478            0            0    5269.5208     12.52146 
-    7700     16738.51            0            0    5269.5309    12.521541 
-    7750    16738.454            0            0    5269.5135    12.521405 
-    7800    16738.398            0            0    5269.4958    12.521267 
-    7850    16738.407 -0.0002118068            0    5269.4982    12.521283 
-    7900    16738.441 -0.00021679441            0     5269.509    12.521366 
-    7950    16738.446 -0.00023847865            0    5269.5107     12.52138 
-    8000    16738.423            0            0    5269.5035    12.521326 
-    8050    16738.423            0            0    5269.5034    12.521325 
-    8100    16738.478 -0.00069624411            0      5269.52    12.521447 
-    8150    16738.523 -0.0040058094            0     5269.531    12.521494 
-    8200    16738.486 -0.0092298399            0    5269.5142    12.521327 
-    8250    16738.458 -0.023189572            0    5269.4914    12.521008 
-    8300    16738.513 -0.045847775            0    5269.4861    12.520773 
-    8350    16723.734    4.5722877            0    5269.4516    12.849562 
-    8400    16738.466 -0.020202622            0     5269.497    12.835807 
-    8450    16738.437 -0.012822209            0    5269.4952    12.829975 
-    8500    16738.408 -0.001683355            0    5269.4972      12.8301 
-    8550    16738.464 -0.00097382251            0    5269.5155    12.830254 
-    8600    16738.669 -0.050581166            0    5269.5304    12.829973 
-    8650    15918.256    250.07455            0    5261.3774    24.539208 
-    8700    16738.446 0.00084613367            0    5269.5116    10.591358 
-    8750    16738.472 -0.010145611            0    5269.5089    10.590277 
-    8800    16738.468            0            0    5269.5176    10.590497 
-    8850    16738.508            0            0    5269.5303    10.590596 
-    8900    16738.509            0            0    5269.5306    10.590599 
-    8950    16738.496            0            0    5269.5266    10.590568 
-    9000    16738.477            0            0    5269.5204     10.59052 
-    9050    16738.455            0            0    5269.5135    10.590465 
-    9100    16738.477            0            0    5269.5205    10.590519 
-    9150    16738.512            0            0    5269.5315    10.590606 
-    9200    16738.502            0            0    5269.5285    10.590583 
-    9250    16738.493            0            0    5269.5254    10.590559 
-    9300    16738.482            0            0     5269.522    10.590532 
-    9350     16738.46            0            0    5269.5151    10.590478 
-    9400     16738.48            0            0    5269.5216    10.590528 
-    9450    16738.509            0            0    5269.5306    10.590599 
-    9500     16738.49            0            0    5269.5247    10.590554 
-    9550    16738.484            0            0    5269.5226    10.590536 
-    9600    16738.483            0            0    5269.5223    10.590534 
-    9650    16738.464            0            0    5269.5165    10.590489 
-    9700    16738.484            0            0    5269.5228    10.590537 
-    9750    16738.507            0            0      5269.53    10.590595 
-    9800    16738.482            0            0     5269.522    10.590532 
-    9850    16738.478            0            0    5269.5207    10.590521 
-    9900    16738.487 -0.00030979882            0    5269.5233    10.590538 
-    9950    16738.476 -0.00095967357            0    5269.5193    10.590496 
-   10000    16738.494 -0.00062714625            0    5269.5253    10.590548 
-Loop time of 0.166547 on 1 procs for 10000 steps with 81 atoms
+    5250    16738.448 -0.001279392            0    5269.5102    13.090114 
+    5300    16738.456 -0.0064376391            0    5269.5075    13.090026 
+    5350    16738.479 -0.020383841            0    5269.5007    13.089897 
+    5400    16735.845    0.7988947            0    5269.4909    13.136244 
+    5450    16735.558   0.87620022            0    5269.4778    12.324482 
+    5500    16711.494    8.4724178            0    5269.4984    12.656579 
+    5550    16454.525    89.074815            0    5269.2031    16.996503 
+    5600    16713.084    7.9801418            0    5269.5065    13.774979 
+    5650    16738.676 -0.079987748            0    5269.5033    13.168297 
+    5700    16446.281    91.866085            0     5269.399    23.764663 
+    5750    16738.549 -0.039869084            0    5269.5034    13.378122 
+    5800    16738.487 -0.014994478            0    5269.5086    13.378399 
+    5850    16738.466 -0.0051267616            0     5269.512     13.37856 
+    5900    16738.462 -0.0043690142            0    5269.5113    13.378573 
+    5950    16738.528 -0.032727415            0    5269.5039    13.378197 
+    6000    16702.774    10.969438            0    5269.2502    13.788852 
+    6050    16682.271    17.483137            0    5269.3092    13.353101 
+    6100    16738.508 -0.028838222            0    5269.5016    12.521084 
+    6150    16738.425 -0.0067595536            0    5269.4974    12.521223 
+    6200    16738.401 -0.0011499893            0    5269.4955    12.521254 
+    6250    16738.455            0            0    5269.5135     12.52141 
+    6300    16738.523            0            0    5269.5352     12.52158 
+    6350    16738.503            0            0    5269.5287    12.521531 
+    6400    16738.427            0            0    5269.5047    12.521344 
+    6450    16738.399            0            0     5269.496    12.521274 
+    6500    16738.425            0            0    5269.5042    12.521337 
+    6550    16738.441            0            0    5269.5093    12.521378 
+    6600     16738.42            0            0    5269.5025    12.521326 
+    6650    16738.398            0            0    5269.4957    12.521272 
+    6700    16738.435            0            0    5269.5074    12.521362 
+    6750    16738.505            0            0    5269.5293    12.521534 
+    6800    16738.508            0            0    5269.5303    12.521543 
+    6850    16738.446            0            0    5269.5108    12.521391 
+    6900    16738.414            0            0    5269.5009    12.521312 
+    6950    16738.432            0            0    5269.5063    12.521354 
+    7000    16738.444            0            0    5269.5102    12.521385 
+    7050    16738.421            0            0    5269.5029    12.521329 
+    7100    16738.393            0            0    5269.4941    12.521259 
+    7150    16738.419            0            0    5269.5022    12.521322 
+    7200    16738.489            0            0    5269.5244    12.521495 
+    7250    16738.505            0            0    5269.5293    12.521535 
+    7300    16738.443            0            0    5269.5098    12.521383 
+    7350    16738.404            0            0    5269.4976    12.521287 
+    7400     16738.43            0            0    5269.5058     12.52135 
+    7450    16738.461            0            0    5269.5156    12.521427 
+    7500    16738.447            0            0    5269.5109    12.521392 
+    7550    16738.407            0            0    5269.4986    12.521295 
+    7600    16738.412            0            0    5269.5002    12.521306 
+    7650    16738.478            0            0    5269.5208    12.521467 
+    7700     16738.51            0            0    5269.5309    12.521547 
+    7750    16738.454            0            0    5269.5135    12.521412 
+    7800    16738.398            0            0    5269.4958    12.521273 
+    7850    16738.407 -0.0002118108            0    5269.4982    12.521289 
+    7900    16738.441 -0.00021679711            0     5269.509    12.521373 
+    7950    16738.446 -0.00023848139            0    5269.5107    12.521386 
+    8000    16738.423            0            0    5269.5035    12.521333 
+    8050    16738.423            0            0    5269.5034    12.521332 
+    8100    16738.478 -0.00069622994            0      5269.52    12.521454 
+    8150    16738.523 -0.0040058408            0     5269.531    12.521501 
+    8200    16738.486 -0.0092298229            0    5269.5142    12.521334 
+    8250    16738.458 -0.023189671            0    5269.4914    12.521014 
+    8300    16738.513 -0.045845677            0    5269.4861    12.520779 
+    8350    16723.745    4.5690412            0    5269.4516    12.849325 
+    8400    16738.466 -0.020158442            0     5269.497    12.835773 
+    8450    16738.437 -0.012822892            0    5269.4952    12.829936 
+    8500    16738.408 -0.0016837088            0    5269.4972    12.830061 
+    8550    16738.464 -0.00097379467            0    5269.5155    12.830216 
+    8600    16738.669 -0.050578079            0    5269.5304    12.829934 
+    8650    15917.563    250.28318            0    5261.3678     24.54572 
+    8700    16738.445 0.0012168759            0    5269.5117    10.589499 
+    8750    16738.473 -0.010164589            0     5269.509    10.588414 
+    8800    16738.468            0            0    5269.5177    10.588633 
+    8850    16738.508            0            0    5269.5304    10.588733 
+    8900    16738.509            0            0    5269.5307    10.588736 
+    8950    16738.496            0            0    5269.5266    10.588705 
+    9000    16738.477            0            0    5269.5204    10.588656 
+    9050    16738.455            0            0    5269.5135    10.588602 
+    9100    16738.477            0            0    5269.5206    10.588656 
+    9150    16738.512            0            0    5269.5316    10.588743 
+    9200    16738.502            0            0    5269.5285     10.58872 
+    9250    16738.493            0            0    5269.5255    10.588696 
+    9300    16738.482            0            0     5269.522    10.588669 
+    9350     16738.46            0            0    5269.5151    10.588615 
+    9400    16738.481            0            0    5269.5217    10.588665 
+    9450    16738.509            0            0    5269.5307    10.588736 
+    9500    16738.491            0            0    5269.5248     10.58869 
+    9550    16738.484            0            0    5269.5227    10.588674 
+    9600    16738.483            0            0    5269.5223    10.588671 
+    9650    16738.464            0            0    5269.5166    10.588626 
+    9700    16738.484            0            0    5269.5229    10.588674 
+    9750    16738.507            0            0    5269.5301    10.588731 
+    9800    16738.482            0            0    5269.5221    10.588669 
+    9850    16738.478            0            0    5269.5208    10.588659 
+    9900    16738.487 -0.00030979474            0    5269.5233    10.588675 
+    9950    16738.476 -0.00095968581            0    5269.5193    10.588632 
+   10000    16738.494 -0.00062717822            0    5269.5253    10.588684 
+Loop time of 0.171181 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 518773.777 tau/day, 60043.261 timesteps/s
-99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 504728.317 tau/day, 58417.629 timesteps/s
+97.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.011439   | 0.011439   | 0.011439   |   0.0 |  6.87
-Neigh   | 0.038572   | 0.038572   | 0.038572   |   0.0 | 23.16
-Comm    | 0.0085464  | 0.0085464  | 0.0085464  |   0.0 |  5.13
-Output  | 0.0025046  | 0.0025046  | 0.0025046  |   0.0 |  1.50
-Modify  | 0.099479   | 0.099479   | 0.099479   |   0.0 | 59.73
-Other   |            | 0.006005   |            |       |  3.61
+Pair    | 0.011004   | 0.011004   | 0.011004   |   0.0 |  6.43
+Neigh   | 0.041984   | 0.041984   | 0.041984   |   0.0 | 24.53
+Comm    | 0.012262   | 0.012262   | 0.012262   |   0.0 |  7.16
+Output  | 0.0017002  | 0.0017002  | 0.0017002  |   0.0 |  0.99
+Modify  | 0.098894   | 0.098894   | 0.098894   |   0.0 | 57.77
+Other   |            | 0.005337   |            |       |  3.12
 
 Nlocal:    81 ave 81 max 81 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/rigid/log.20Apr18.rigid.nve.g++.4 b/examples/rigid/log.27Nov18.rigid.nve.g++.4
similarity index 72%
rename from examples/rigid/log.20Apr18.rigid.nve.g++.4
rename to examples/rigid/log.27Nov18.rigid.nve.g++.4
index 782457b427..bc79d9730f 100644
--- a/examples/rigid/log.20Apr18.rigid.nve.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.nve.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -200,126 +200,126 @@ Step Temp E_pair E_mol TotEng Press
     4600    16738.425            0            0    5269.5042    12.383376 
     4650    16738.404 -0.0014438316            0    5269.4961    12.383299 
     4700    16738.444 -0.024020551            0    5269.4862    12.382975 
-    4750     16738.49 -0.048521424            0    5269.4761    12.385777 
-    4800    16735.057    1.0347218            0    5269.4786     12.43543 
+    4750     16738.49 -0.048521428            0    5269.4761    12.385777 
+    4800    16735.057    1.0347217            0    5269.4786     12.43543 
     4850    16735.441   0.92650925            0    5269.4913    12.418653 
     4900    16723.839    4.5908973            0    5269.5033    13.410103 
-    4950    16738.531 -0.021537669            0    5269.5159    13.089982 
-    5000     16738.45 -0.0042589693            0    5269.5077    13.090062 
-    5050    16738.409 -0.00024692474            0    5269.4987    13.090038 
+    4950    16738.531  -0.02153767            0    5269.5159    13.089982 
+    5000     16738.45 -0.0042589696            0    5269.5077    13.090062 
+    5050    16738.409 -0.00024692476            0    5269.4987    13.090038 
     5100    16738.404            0            0    5269.4976    13.090032 
     5150    16738.421            0            0    5269.5029    13.090073 
     5200     16738.44            0            0    5269.5087    13.090119 
-    5250    16738.448 -0.0012793921            0    5269.5102    13.090114 
-    5300    16738.456 -0.0064376396            0    5269.5075    13.090026 
-    5350    16738.479 -0.020383843            0    5269.5007    13.089898 
-    5400    16735.845   0.79889489            0    5269.4909    13.136244 
-    5450    16735.558   0.87619907            0    5269.4778    12.324482 
-    5500    16711.494    8.4724273            0    5269.4984    12.656579 
-    5550    16454.525    89.074821            0    5269.2031    16.996502 
-    5600    16713.084    7.9801107            0    5269.5065    13.774972 
-    5650    16738.676 -0.079987805            0    5269.5033    13.168292 
-    5700    16446.281    91.866085            0     5269.399    23.764659 
-    5750    16738.549 -0.039869082            0    5269.5034    13.378118 
-    5800    16738.487 -0.014994465            0    5269.5086    13.378394 
-    5850    16738.466 -0.0051267396            0     5269.512    13.378555 
-    5900    16738.462 -0.004368998            0    5269.5113    13.378568 
-    5950    16738.528 -0.032727397            0    5269.5039    13.378192 
-    6000    16702.774    10.969422            0    5269.2502    13.788847 
-    6050    16682.271    17.483223            0    5269.3092    13.353098 
-    6100    16738.508 -0.028838294            0    5269.5016    12.521077 
-    6150    16738.425 -0.0067595586            0    5269.4974    12.521216 
-    6200    16738.401 -0.0011499906            0    5269.4955    12.521248 
-    6250    16738.455            0            0    5269.5136    12.521404 
-    6300    16738.523            0            0    5269.5352    12.521573 
-    6350    16738.503            0            0    5269.5287    12.521525 
-    6400    16738.427            0            0    5269.5047    12.521337 
-    6450    16738.399            0            0     5269.496    12.521268 
-    6500    16738.425            0            0    5269.5042    12.521331 
-    6550    16738.441            0            0    5269.5093    12.521372 
-    6600     16738.42            0            0    5269.5025    12.521319 
-    6650    16738.398            0            0    5269.4957    12.521266 
-    6700    16738.435            0            0    5269.5074    12.521355 
-    6750    16738.505            0            0    5269.5293    12.521527 
-    6800    16738.508            0            0    5269.5303    12.521536 
-    6850    16738.446            0            0    5269.5108    12.521384 
-    6900    16738.414            0            0    5269.5009    12.521306 
-    6950    16738.432            0            0    5269.5063    12.521348 
-    7000    16738.444            0            0    5269.5102    12.521379 
-    7050    16738.421            0            0    5269.5029    12.521322 
-    7100    16738.393            0            0    5269.4941    12.521253 
-    7150    16738.419            0            0    5269.5022    12.521315 
-    7200    16738.489            0            0    5269.5244    12.521489 
-    7250    16738.505            0            0    5269.5293    12.521528 
-    7300    16738.443            0            0    5269.5098    12.521377 
-    7350    16738.404            0            0    5269.4976    12.521281 
-    7400     16738.43            0            0    5269.5058    12.521344 
-    7450    16738.461            0            0    5269.5156    12.521421 
-    7500    16738.447            0            0    5269.5109    12.521385 
-    7550    16738.407            0            0    5269.4986    12.521288 
-    7600    16738.412            0            0    5269.5002      12.5213 
-    7650    16738.478            0            0    5269.5208    12.521461 
-    7700     16738.51            0            0    5269.5309    12.521541 
-    7750    16738.454            0            0    5269.5135    12.521406 
-    7800    16738.398            0            0    5269.4958    12.521267 
-    7850    16738.407 -0.00021180715            0    5269.4982    12.521283 
-    7900    16738.441 -0.0002167946            0     5269.509    12.521367 
-    7950    16738.446 -0.0002384787            0    5269.5107     12.52138 
-    8000    16738.423            0            0    5269.5035    12.521327 
-    8050    16738.423            0            0    5269.5034    12.521325 
-    8100    16738.478 -0.00069624484            0      5269.52    12.521448 
-    8150    16738.523 -0.0040058183            0     5269.531    12.521494 
-    8200    16738.486 -0.0092298512            0    5269.5142    12.521328 
-    8250    16738.458 -0.023189661            0    5269.4914    12.521008 
-    8300    16738.513 -0.045847765            0    5269.4861    12.520773 
-    8350    16723.735    4.5720344            0    5269.4516    12.849543 
-    8400    16738.466  -0.02019859            0     5269.497    12.835812 
-    8450    16738.437 -0.012822198            0    5269.4952    12.829979 
-    8500    16738.408 -0.0016833646            0    5269.4972    12.830104 
-    8550    16738.464 -0.00097382606            0    5269.5155    12.830258 
-    8600    16738.669 -0.050581176            0    5269.5304    12.829977 
-    8650    15918.073      250.131            0    5261.3761    24.542327 
-    8700    16738.446 0.00085039409            0    5269.5116     10.59114 
-    8750    16738.472 -0.010146632            0    5269.5089    10.590059 
-    8800    16738.468            0            0    5269.5176    10.590278 
-    8850    16738.508            0            0    5269.5303    10.590378 
-    8900    16738.509            0            0    5269.5306    10.590381 
-    8950    16738.496            0            0    5269.5266    10.590349 
-    9000    16738.477            0            0    5269.5204    10.590302 
-    9050    16738.455            0            0    5269.5135    10.590247 
-    9100    16738.477            0            0    5269.5205    10.590301 
-    9150    16738.512            0            0    5269.5315    10.590388 
-    9200    16738.502            0            0    5269.5285    10.590364 
-    9250    16738.493            0            0    5269.5254     10.59034 
-    9300    16738.482            0            0     5269.522    10.590314 
-    9350     16738.46            0            0    5269.5151     10.59026 
-    9400     16738.48            0            0    5269.5216     10.59031 
-    9450    16738.509            0            0    5269.5306    10.590381 
-    9500     16738.49            0            0    5269.5247    10.590335 
-    9550    16738.484            0            0    5269.5226    10.590318 
-    9600    16738.483            0            0    5269.5223    10.590316 
-    9650    16738.464            0            0    5269.5165    10.590271 
-    9700    16738.484            0            0    5269.5228    10.590319 
-    9750    16738.507            0            0      5269.53    10.590376 
-    9800    16738.482            0            0     5269.522    10.590314 
-    9850    16738.478            0            0    5269.5207    10.590303 
-    9900    16738.487 -0.00030979874            0    5269.5233     10.59032 
-    9950    16738.476 -0.00095967134            0    5269.5192    10.590278 
-   10000    16738.494 -0.00062714318            0    5269.5253    10.590329 
-Loop time of 0.22441 on 4 procs for 10000 steps with 81 atoms
+    5250    16738.448 -0.001279392            0    5269.5102    13.090114 
+    5300    16738.456 -0.0064376392            0    5269.5075    13.090026 
+    5350    16738.479 -0.020383842            0    5269.5007    13.089897 
+    5400    16735.845   0.79889474            0    5269.4909    13.136244 
+    5450    16735.558   0.87619992            0    5269.4778    12.324482 
+    5500    16711.494    8.4724208            0    5269.4984    12.656579 
+    5550    16454.525    89.074816            0    5269.2031    16.996503 
+    5600    16713.084    7.9801334            0    5269.5065    13.774977 
+    5650    16738.676 -0.079987764            0    5269.5033    13.168295 
+    5700    16446.281    91.866085            0     5269.399    23.764662 
+    5750    16738.549 -0.039869084            0    5269.5034    13.378121 
+    5800    16738.487 -0.014994475            0    5269.5086    13.378397 
+    5850    16738.466 -0.0051267556            0     5269.512    13.378559 
+    5900    16738.462 -0.0043690097            0    5269.5113    13.378572 
+    5950    16738.528  -0.03272741            0    5269.5039    13.378195 
+    6000    16702.774    10.969434            0    5269.2502    13.788851 
+    6050    16682.271    17.483158            0    5269.3092      13.3531 
+    6100    16738.508 -0.028838239            0    5269.5016    12.521082 
+    6150    16738.425 -0.0067595542            0    5269.4974    12.521221 
+    6200    16738.401 -0.0011499896            0    5269.4955    12.521252 
+    6250    16738.455            0            0    5269.5135    12.521408 
+    6300    16738.523            0            0    5269.5352    12.521578 
+    6350    16738.503            0            0    5269.5287     12.52153 
+    6400    16738.427            0            0    5269.5047    12.521342 
+    6450    16738.399            0            0     5269.496    12.521273 
+    6500    16738.425            0            0    5269.5042    12.521336 
+    6550    16738.441            0            0    5269.5093    12.521377 
+    6600     16738.42            0            0    5269.5025    12.521324 
+    6650    16738.398            0            0    5269.4957     12.52127 
+    6700    16738.435            0            0    5269.5074     12.52136 
+    6750    16738.505            0            0    5269.5293    12.521532 
+    6800    16738.508            0            0    5269.5303    12.521541 
+    6850    16738.446            0            0    5269.5108    12.521389 
+    6900    16738.414            0            0    5269.5009    12.521311 
+    6950    16738.432            0            0    5269.5063    12.521353 
+    7000    16738.444            0            0    5269.5102    12.521383 
+    7050    16738.421            0            0    5269.5029    12.521327 
+    7100    16738.393            0            0    5269.4941    12.521258 
+    7150    16738.419            0            0    5269.5022     12.52132 
+    7200    16738.489            0            0    5269.5244    12.521494 
+    7250    16738.505            0            0    5269.5293    12.521533 
+    7300    16738.443            0            0    5269.5098    12.521381 
+    7350    16738.404            0            0    5269.4976    12.521285 
+    7400     16738.43            0            0    5269.5058    12.521348 
+    7450    16738.461            0            0    5269.5156    12.521425 
+    7500    16738.447            0            0    5269.5109     12.52139 
+    7550    16738.407            0            0    5269.4986    12.521293 
+    7600    16738.412            0            0    5269.5002    12.521305 
+    7650    16738.478            0            0    5269.5208    12.521465 
+    7700     16738.51            0            0    5269.5309    12.521546 
+    7750    16738.454            0            0    5269.5135     12.52141 
+    7800    16738.398            0            0    5269.4958    12.521272 
+    7850    16738.407 -0.00021180981            0    5269.4982    12.521288 
+    7900    16738.441 -0.0002167964            0     5269.509    12.521371 
+    7950    16738.446 -0.00023848065            0    5269.5107    12.521385 
+    8000    16738.423            0            0    5269.5035    12.521331 
+    8050    16738.423            0            0    5269.5034     12.52133 
+    8100    16738.478 -0.00069623408            0      5269.52    12.521452 
+    8150    16738.523 -0.0040058355            0     5269.531    12.521499 
+    8200    16738.486 -0.0092298325            0    5269.5142    12.521332 
+    8250    16738.458 -0.023189665            0    5269.4914    12.521012 
+    8300    16738.513 -0.045846242            0    5269.4861    12.520778 
+    8350    16723.742    4.5698786            0    5269.4516    12.849386 
+    8400    16738.466  -0.02016972            0     5269.497    12.835784 
+    8450    16738.437 -0.012822703            0    5269.4952    12.829948 
+    8500    16738.408 -0.0016836132            0    5269.4972    12.830073 
+    8550    16738.464 -0.00097380297            0    5269.5155    12.830227 
+    8600    16738.669 -0.050578946            0    5269.5304    12.829946 
+    8650    15917.707    250.24016            0    5261.3702    24.544744 
+    8700    16738.445 0.0010615265            0    5269.5117    10.589987 
+    8750    16738.473 -0.010158834            0     5269.509    10.588904 
+    8800    16738.468            0            0    5269.5176    10.589124 
+    8850    16738.508            0            0    5269.5304    10.589223 
+    8900    16738.509            0            0    5269.5306    10.589226 
+    8950    16738.496            0            0    5269.5266    10.589195 
+    9000    16738.477            0            0    5269.5204    10.589147 
+    9050    16738.455            0            0    5269.5135    10.589092 
+    9100    16738.477            0            0    5269.5206    10.589146 
+    9150    16738.512            0            0    5269.5316    10.589233 
+    9200    16738.502            0            0    5269.5285     10.58921 
+    9250    16738.493            0            0    5269.5255    10.589186 
+    9300    16738.482            0            0     5269.522    10.589159 
+    9350     16738.46            0            0    5269.5151    10.589105 
+    9400    16738.481            0            0    5269.5217    10.589155 
+    9450    16738.509            0            0    5269.5307    10.589226 
+    9500    16738.491            0            0    5269.5248    10.589181 
+    9550    16738.484            0            0    5269.5227    10.589164 
+    9600    16738.483            0            0    5269.5223    10.589161 
+    9650    16738.464            0            0    5269.5166    10.589116 
+    9700    16738.484            0            0    5269.5228    10.589164 
+    9750    16738.507            0            0    5269.5301    10.589221 
+    9800    16738.482            0            0    5269.5221    10.589159 
+    9850    16738.478            0            0    5269.5208    10.589149 
+    9900    16738.487 -0.00030979591            0    5269.5233    10.589165 
+    9950    16738.476 -0.0009596827            0    5269.5193    10.589123 
+   10000    16738.494 -0.0006271698            0    5269.5253    10.589175 
+Loop time of 0.212511 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 385008.767 tau/day, 44561.200 timesteps/s
-97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 406566.385 tau/day, 47056.295 timesteps/s
+91.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0032785  | 0.0039999  | 0.0052714  |   1.3 |  1.78
-Neigh   | 0.010548   | 0.012524   | 0.016082   |   1.9 |  5.58
-Comm    | 0.082771   | 0.087847   | 0.091037   |   1.1 | 39.15
-Output  | 0.0042846  | 0.0045864  | 0.0054133  |   0.7 |  2.04
-Modify  | 0.10401    | 0.10533    | 0.10736    |   0.4 | 46.94
-Other   |            | 0.01013    |            |       |  4.51
+Pair    | 0.0032909  | 0.0039915  | 0.0048544  |   0.9 |  1.88
+Neigh   | 0.011434   | 0.01325    | 0.016991   |   1.9 |  6.24
+Comm    | 0.076038   | 0.082493   | 0.088069   |   1.5 | 38.82
+Output  | 0.0031183  | 0.0045295  | 0.0086036  |   3.5 |  2.13
+Modify  | 0.099662   | 0.10206    | 0.10679    |   0.9 | 48.02
+Other   |            | 0.00619    |            |       |  2.91
 
 Nlocal:    20.25 ave 34 max 9 min
 Histogram: 2 0 0 0 0 0 0 1 0 1
diff --git a/examples/rigid/log.27Nov18.rigid.poems.g++.1 b/examples/rigid/log.27Nov18.rigid.poems.g++.1
new file mode 100644
index 0000000000..e279b8a73e
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.poems.g++.1
@@ -0,0 +1,338 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple rigid body system
+
+units		lj
+atom_style	atomic
+
+pair_style	lj/cut 2.5
+
+read_data	data.rigid
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  81 atoms
+
+velocity 	all create 100.0 4928459
+
+# unconnected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 10 18
+#group		clump3 id <> 19 27
+#group		clump4 id <> 28 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 46 54
+#group		clump7 id <> 55 63
+#group		clump8 id <> 64 72
+#group		clump9 id <> 73 81
+
+#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 1 chain of connected bodies
+
+group		clump1 id <> 1 9
+9 atoms in group clump1
+group		clump2 id <> 9 18
+10 atoms in group clump2
+group		clump3 id <> 18 27
+10 atoms in group clump3
+group		clump4 id <> 27 36
+10 atoms in group clump4
+group		clump5 id <> 36 45
+10 atoms in group clump5
+group		clump6 id <> 45 54
+10 atoms in group clump6
+group		clump7 id <> 54 63
+10 atoms in group clump7
+group		clump8 id <> 63 72
+10 atoms in group clump8
+group		clump9 id <> 72 81
+10 atoms in group clump9
+
+fix 1 all poems group clump1 clump2 clump3 clump4 clump5 	  	      clump6 clump7 clump8 clump9
+1 clusters, 9 bodies, 8 joints, 81 atoms
+
+# 2 chains of connected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 9 18
+#group		clump3 id <> 18 27
+#group		clump4 id <> 27 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 45 54
+#group		clump7 id <> 54 63
+#group		clump8 id <> 63 72
+#group		clump9 id <> 72 81
+
+#fix 1 all poems group clump1 clump2 clump3 clump4
+#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
+
+neigh_modify	exclude group clump1 clump1
+neigh_modify	exclude group clump2 clump2
+neigh_modify	exclude group clump3 clump3
+neigh_modify	exclude group clump4 clump4
+neigh_modify	exclude group clump5 clump5
+neigh_modify	exclude group clump6 clump6
+neigh_modify	exclude group clump7 clump7
+neigh_modify	exclude group clump8 clump8
+neigh_modify	exclude group clump9 clump9
+
+thermo		100
+
+#dump		1 all atom 50 dump.rigid.poems
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 5
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 5
+
+timestep 	0.0001
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 18 18 18
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.292 | 3.292 | 3.292 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0     217.7783    3430.3907            0    3466.6871   -2.7403788 
+      50    13679.637    1404.2468            0    3684.1863    12.446066 
+     100    16777.225    888.87665            0    3685.0808   -31.828677 
+     150    19595.365    418.45042            0    3684.3446    40.709078 
+     200    18524.188    596.47273            0    3683.8375   -0.8159371 
+     250    21015.789    180.96521            0    3683.5967   -10.042469 
+     300    20785.513    219.25314            0    3683.5053    2.6452719 
+     350     21072.46     171.2554            0    3683.3321    7.0609024 
+     400    19956.414    356.36381            0    3682.4328    19.320259 
+     450     20724.42    227.73284            0    3681.8028    8.1259249 
+     500    20152.578    322.71466            0    3681.4777    5.4929878 
+     550    20017.022    345.29701            0    3681.4673    5.4661666 
+     600    17897.743    698.72196            0    3681.6791    3.2854742 
+     650    17297.758    796.60256            0    3679.5623    15.191113 
+     700    18581.934    584.29715            0    3681.2861    5.1588289 
+     750    21774.158    52.821062            0    3681.8474   -10.775664 
+     800    21604.055    81.188546            0    3681.8644   -3.2045743 
+     850    17821.483    711.53827            0    3681.7854    7.4384277 
+     900    21033.292    175.98127            0    3681.5299   -16.345167 
+     950    20968.166    186.59847            0    3681.2929    -2.330456 
+    1000     20490.66    266.19375            0    3681.3037    11.787983 
+    1050    20222.396    310.94072            0      3681.34   -8.3459539 
+    1100    21321.687    127.61533            0    3681.2299   -1.2184717 
+    1150    20849.582    206.01695            0    3680.9472  -0.86699149 
+    1200    21815.003    45.317414            0    3681.1512    1.5988314 
+    1250    18655.437    572.41453            0     3681.654    10.064078 
+    1300    20780.781    217.36506            0    3680.8286    6.0538616 
+    1350    20558.971    254.36482            0    3680.8601   -3.6773952 
+    1400    21485.029    99.812921            0    3680.6511   -16.185473 
+    1450    21771.107     52.15961            0    3680.6775   -2.4756673 
+    1500    21520.948    93.503927            0    3680.3286    2.1023576 
+    1550    21351.418    121.68137            0    3680.2511    5.5159947 
+    1600    20778.805    216.92177            0    3680.0559    15.089188 
+    1650    21477.638    100.21836            0    3679.8247   -1.1045746 
+    1700    18501.339    596.47914            0    3680.0357   -15.679679 
+    1750    18563.642    587.34785            0    3681.2882    33.532209 
+    1800    19110.185     494.8234            0    3679.8543    18.024046 
+    1850    21364.191    119.23545            0    3679.9339    2.5291103 
+    1900    20146.626    322.14867            0    3679.9197    5.7313218 
+    1950    20692.672    231.25325            0    3680.0319    4.2977763 
+    2000    20943.904    189.11235            0    3679.7629   -22.645121 
+    2050    19668.057    401.82994            0    3679.8394    3.6251916 
+    2100    20280.442    299.76155            0    3679.8353    7.4807949 
+    2150     19181.86      483.522            0    3680.4987    22.620507 
+    2200    21300.161    130.70534            0    3680.7322    4.7102665 
+    2250    20486.943    266.63931            0    3681.1299   -8.6456512 
+    2300    18653.122    572.24819            0    3681.1018   -5.2637122 
+    2350    21513.523    95.614901            0    3681.2021   -9.3621767 
+    2400    21466.272    103.56446            0    3681.2765   -29.561368 
+    2450    20100.105    332.27123            0    3682.2887    35.744287 
+    2500    20764.395     221.6677            0    3682.4001   -12.468906 
+    2550    20435.699    276.31055            0    3682.2603   -22.413697 
+    2600    21466.467    104.53618            0    3682.2807   -10.078508 
+    2650    20814.737    213.23892            0    3682.3617    5.1390411 
+    2700    18565.761     588.3578            0    3682.6513     22.27664 
+    2750     20772.36     220.1607            0    3682.2206   -7.9448198 
+    2800    21018.563    179.10058            0    3682.1945   -7.0717829 
+    2850    16789.412    884.21472            0    3682.4501    33.279015 
+    2900    19304.363    464.75282            0    3682.1466     7.947554 
+    2950    20513.758    263.07578            0    3682.0355    2.2361434 
+    3000    20617.309    245.95251            0    3682.1706  -0.75213689 
+    3050     18567.52    587.90473            0    3682.4914   -4.0112006 
+    3100    18696.577    566.20617            0    3682.3023   -1.4814167 
+    3150    19864.606    371.56078            0    3682.3284    8.9362836 
+    3200    18902.643    532.04614            0    3682.4867   0.76630303 
+    3250    21110.454    163.86212            0     3682.271   -1.6253894 
+    3300    19369.939    454.05833            0    3682.3816    4.9066544 
+    3350    19082.603    501.69905            0     3682.133    3.5982292 
+    3400    19527.779      426.918            0    3681.5478    6.9612143 
+    3450    19892.953    366.19989            0    3681.6921    3.0050426 
+    3500    19708.981    396.84552            0    3681.6756    7.0757635 
+    3550    20256.096    306.23937            0    3682.2554    -1.752138 
+    3600    21289.889    133.93823            0     3682.253   -3.7462615 
+    3650    18333.877    627.18028            0    3682.8264   -15.276791 
+    3700    19829.133    377.33753            0    3682.1931    -6.269648 
+    3750    20771.635    220.07171            0    3682.0109   -28.479036 
+    3800    18373.813    619.79253            0    3682.0947    29.594781 
+    3850     19320.99    461.92786            0    3682.0928   -5.3212101 
+    3900    16119.825    995.68064            0    3682.3182   -8.4683118 
+    3950    15556.948    1091.3655            0    3684.1902     20.98273 
+    4000    20000.464    348.24891            0    3681.6596    7.1589745 
+    4050    18870.219    536.59924            0    3681.6358   -3.7997025 
+    4100    19889.518    367.49253            0    3682.4122   -14.091266 
+    4150    15789.623    1051.3399            0    3682.9438   -4.4152389 
+    4200    20548.889    256.83493            0    3681.6498   0.92234153 
+    4250    20681.925    235.46113            0    3682.4487   -11.515773 
+    4300    19330.404    460.80975            0    3682.5437   -22.351775 
+    4350    19369.443    453.35405            0    3681.5945    29.418242 
+    4400    20762.165    222.24133            0    3682.6021    2.6627047 
+    4450    19984.657    350.71294            0    3681.4891     28.88731 
+    4500     21167.58    154.25344            0    3682.1834   -3.0784322 
+    4550    18133.576    660.73671            0    3682.9995    2.5305835 
+    4600    19935.069    360.36826            0    3682.8798    2.4575034 
+    4650     21413.76    113.86464            0    3682.8246   -5.1271547 
+    4700    21716.333    63.609419            0    3682.9982   -2.4708049 
+    4750    21352.947    124.36961            0    3683.1941  -0.29026265 
+    4800    19043.788     508.8617            0    3682.8264    14.797006 
+    4850    20516.121    263.78758            0    3683.1411    7.1348281 
+    4900      20624.5    245.81827            0     3683.235   0.34708051 
+    4950    20317.197    296.68937            0    3682.8889  -0.55065946 
+    5000    18346.865    625.37246            0    3683.1832    7.3371413 
+    5050     18867.53    538.49153            0    3683.0799    1.9249866 
+    5100    18790.276    551.17224            0     3682.885    2.2333017 
+    5150    20241.365    311.84683            0    3685.4076    -3.998004 
+    5200    17685.058    739.76418            0    3687.2739    3.2835025 
+    5250    18496.626    604.58166            0    3687.3526   -10.185776 
+    5300    18420.042    617.82026            0    3687.8273   -16.392458 
+    5350    18767.338     559.0349            0    3686.9246    4.5320767 
+    5400    20423.245    284.90517            0    3688.7794   -8.6356656 
+    5450    21080.398    176.18494            0    3689.5846   -16.450038 
+    5500    16684.424    909.12643            0    3689.8637     49.94555 
+    5550     20132.31    335.03663            0    3690.4216   -16.018038 
+    5600    20430.923    285.17562            0    3690.3295   -5.0773675 
+    5650    20479.943    276.55962            0    3689.8834    5.4334564 
+    5700    20061.532    345.95553            0    3689.5441   -16.230658 
+    5750    20523.759    268.92217            0    3689.5487   -4.4128812 
+    5800    18900.356    537.65462            0    3687.7139    13.605549 
+    5850    20280.502    310.27193            0    3690.3556   -4.7884959 
+    5900     19050.26    515.66087            0    3690.7042    7.8864722 
+    5950    19566.917     430.2997            0    3691.4525    31.715268 
+    6000    18878.118    544.75449            0    3691.1076   -4.2415329 
+    6050    19308.682    471.70734            0     3689.821   -10.561614 
+    6100    18776.194    560.04764            0    3689.4133   -7.7286747 
+    6150    21475.064     110.1508            0    3689.3281   -3.6506391 
+    6200        19975    360.82675            0    3689.9934    10.282021 
+    6250    21396.341     123.5341            0    3689.5909   -5.7215163 
+    6300    18533.423    600.87422            0     3689.778    15.408027 
+    6350    20653.152    247.19253            0    3689.3846    8.5607784 
+    6400    19716.537    403.41487            0    3689.5044    13.165575 
+    6450     21120.66    168.79838            0    3688.9084  -0.50382728 
+    6500    19700.345     404.7155            0    3688.1064    13.941375 
+    6550    10818.393     1892.037            0    3695.1025    38.423155 
+    6600    18684.478    574.84755            0    3688.9273    5.9176985 
+    6650    19219.732    486.04269            0    3689.3314    18.287659 
+    6700    20058.587    344.88255            0    3687.9804    6.5372086 
+    6750    21279.318    142.77333            0    3689.3264     2.498188 
+    6800    20671.545    244.25024            0    3689.5078   -4.1356416 
+    6850    21203.598    155.82001            0     3689.753 -0.0083061182 
+    6900    21699.344    73.301497            0    3689.8588   -8.0309898 
+    6950    20951.212    197.19403            0    3689.0627   0.76668303 
+    7000    20166.275    329.02869            0    3690.0746    2.0083318 
+    7050    21554.944    97.465792            0    3689.9564   -3.2420086 
+    7100    20817.494    220.25476            0    3689.8372   0.17206182 
+    7150     21481.11    109.84029            0    3690.0253   -3.6814741 
+    7200    21266.824    145.53099            0    3690.0016    -2.060543 
+    7250    19434.684    450.81331            0    3689.9273    9.4822765 
+    7300    21246.525    148.96573            0    3690.0532    3.3208839 
+    7350    19749.269    398.60049            0    3690.1454    1.0929662 
+    7400    20354.792    297.70261            0     3690.168     1.547159 
+    7450    19996.859    357.16723            0     3689.977  -0.68412025 
+    7500    20179.628    326.53243            0    3689.8038   -2.4805507 
+    7550    18765.184    561.65039            0    3689.1811   -1.7976428 
+    7600    19457.496    447.04428            0    3689.9603   -1.9055522 
+    7650    18206.823    655.57276            0    3690.0433    1.2797964 
+    7700    19152.344    497.77422            0    3689.8315    18.145069 
+    7750    21387.484    125.48654            0    3690.0673   -2.9915772 
+    7800    18127.052    668.61425            0    3689.7896     9.044869 
+    7850    21419.557    120.08889            0     3690.015    6.2651717 
+    7900    21817.182    53.739819            0    3689.9368   -4.2387416 
+    7950    18215.195    654.15494            0    3690.0208   -54.628049 
+    8000    21523.503    102.58018            0    3689.8307     -4.84236 
+    8050    20720.799    236.28689            0    3689.7535   -9.3725225 
+    8100    21196.483     157.3232            0    3690.0704   -7.7222497 
+    8150    20869.667    211.65308            0    3689.9309   -6.8438295 
+    8200    17790.052    725.72497            0    3690.7336   -25.697688 
+    8250     19634.94    417.71929            0    3690.2094     8.861604 
+    8300    19135.784    500.92443            0    3690.2218   -3.1245167 
+    8350    20191.718    324.93312            0    3690.2195    6.5736107 
+    8400    20695.239    241.02378            0    3690.2302   -14.592221 
+    8450    21793.857    57.609525            0    3689.9191   -11.509747 
+    8500    21271.088    144.43102            0    3689.6124 -0.091587085 
+    8550    20064.337    345.21754            0    3689.2737    9.5058471 
+    8600     20282.86     308.2307            0    3688.7074     2.265529 
+    8650    21223.055    151.24306            0     3688.419    1.7296834 
+    8700    18875.342    542.42055            0    3688.3108     6.367148 
+    8750     20922.65    201.55122            0    3688.6595    3.4208578 
+    8800     21406.54     120.8539            0    3688.6106    1.8253729 
+    8850    19868.524    377.05623            0     3688.477    16.327796 
+    8900    20025.322    348.94892            0    3686.5025    17.063406 
+    8950    21224.374     151.3567            0    3688.7524  -0.11028753 
+    9000    21318.309      135.862            0    3688.9135  -0.50826819 
+    9050    17538.618    768.00136            0    3691.1043    37.978645 
+    9100    21247.861    147.84641            0    3689.1566   -6.7773259 
+    9150    18455.677    613.08767            0    3689.0339   -3.4844751 
+    9200    19486.859    441.03829            0    3688.8482   -18.602827 
+    9250    21774.926    59.710446            0    3688.8648   -13.379919 
+    9300    17628.877    750.72321            0    3688.8694    27.797974 
+    9350    19827.334    383.85708            0    3688.4128    6.5459021 
+    9400    20020.126    351.61742            0    3688.3051   -14.332562 
+    9450    21596.338    88.904175            0    3688.2939    1.5779716 
+    9500    18981.418    524.60141            0    3688.1711    5.4352409 
+    9550    18652.616    579.05144            0    3687.8208    25.600729 
+    9600    21198.037    155.23097            0    3688.2371   -3.3586596 
+    9650    19958.317    361.32544            0    3687.7115    4.2910178 
+    9700    19129.101     499.5993            0    3687.7828    13.267102 
+    9750    21913.967    35.689587            0    3688.0174   -7.3222905 
+    9800    21314.694    135.43794            0    3687.8869   -9.5613518 
+    9850    20899.743    204.82802            0    3688.1185   -2.6321428 
+    9900    20288.244     306.5013            0    3687.8753    3.6196618 
+    9950    19271.015    475.88527            0    3687.7211   -1.8196764 
+   10000     21122.24    167.82714            0    3688.2005   -3.8464842 
+Loop time of 6.61148 on 1 procs for 10000 steps with 81 atoms
+
+Performance: 13068.179 tau/day, 1512.521 timesteps/s
+97.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.14595    | 0.14595    | 0.14595    |   0.0 |  2.21
+Neigh   | 0.10704    | 0.10704    | 0.10704    |   0.0 |  1.62
+Comm    | 0.013317   | 0.013317   | 0.013317   |   0.0 |  0.20
+Output  | 0.0047956  | 0.0047956  | 0.0047956  |   0.0 |  0.07
+Modify  | 6.3318     | 6.3318     | 6.3318     |   0.0 | 95.77
+Other   |            | 0.008603   |            |       |  0.13
+
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    95 ave 95 max 95 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    744 ave 744 max 744 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 744
+Ave neighs/atom = 9.18519
+Neighbor list builds = 992
+Dangerous builds = 941
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:06
diff --git a/examples/rigid/log.27Nov18.rigid.poems.g++.4 b/examples/rigid/log.27Nov18.rigid.poems.g++.4
new file mode 100644
index 0000000000..55ecca3067
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.poems.g++.4
@@ -0,0 +1,338 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple rigid body system
+
+units		lj
+atom_style	atomic
+
+pair_style	lj/cut 2.5
+
+read_data	data.rigid
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  81 atoms
+
+velocity 	all create 100.0 4928459
+
+# unconnected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 10 18
+#group		clump3 id <> 19 27
+#group		clump4 id <> 28 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 46 54
+#group		clump7 id <> 55 63
+#group		clump8 id <> 64 72
+#group		clump9 id <> 73 81
+
+#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 1 chain of connected bodies
+
+group		clump1 id <> 1 9
+9 atoms in group clump1
+group		clump2 id <> 9 18
+10 atoms in group clump2
+group		clump3 id <> 18 27
+10 atoms in group clump3
+group		clump4 id <> 27 36
+10 atoms in group clump4
+group		clump5 id <> 36 45
+10 atoms in group clump5
+group		clump6 id <> 45 54
+10 atoms in group clump6
+group		clump7 id <> 54 63
+10 atoms in group clump7
+group		clump8 id <> 63 72
+10 atoms in group clump8
+group		clump9 id <> 72 81
+10 atoms in group clump9
+
+fix 1 all poems group clump1 clump2 clump3 clump4 clump5 	  	      clump6 clump7 clump8 clump9
+1 clusters, 9 bodies, 8 joints, 81 atoms
+
+# 2 chains of connected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 9 18
+#group		clump3 id <> 18 27
+#group		clump4 id <> 27 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 45 54
+#group		clump7 id <> 54 63
+#group		clump8 id <> 63 72
+#group		clump9 id <> 72 81
+
+#fix 1 all poems group clump1 clump2 clump3 clump4
+#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
+
+neigh_modify	exclude group clump1 clump1
+neigh_modify	exclude group clump2 clump2
+neigh_modify	exclude group clump3 clump3
+neigh_modify	exclude group clump4 clump4
+neigh_modify	exclude group clump5 clump5
+neigh_modify	exclude group clump6 clump6
+neigh_modify	exclude group clump7 clump7
+neigh_modify	exclude group clump8 clump8
+neigh_modify	exclude group clump9 clump9
+
+thermo		100
+
+#dump		1 all atom 50 dump.rigid.poems
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 5
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 5
+
+timestep 	0.0001
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 18 18 18
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.263 | 3.357 | 3.638 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0     217.7783    3430.3907            0    3466.6871   -2.7403788 
+      50    13679.637    1404.2468            0    3684.1863    12.446066 
+     100    16777.225    888.87665            0    3685.0808   -31.828677 
+     150    19595.365    418.45042            0    3684.3446    40.709078 
+     200    18524.188    596.47273            0    3683.8375   -0.8159371 
+     250    21015.789    180.96521            0    3683.5967   -10.042469 
+     300    20785.513    219.25314            0    3683.5053    2.6452719 
+     350     21072.46     171.2554            0    3683.3321    7.0609024 
+     400    19956.414    356.36381            0    3682.4328    19.320259 
+     450     20724.42    227.73284            0    3681.8028    8.1259249 
+     500    20152.578    322.71466            0    3681.4777    5.4929878 
+     550    20017.022    345.29701            0    3681.4673    5.4661666 
+     600    17897.743    698.72196            0    3681.6791    3.2854742 
+     650    17297.758    796.60256            0    3679.5623    15.191113 
+     700    18581.934    584.29715            0    3681.2861    5.1588289 
+     750    21774.158    52.821062            0    3681.8474   -10.775664 
+     800    21604.055    81.188546            0    3681.8644   -3.2045743 
+     850    17821.483    711.53827            0    3681.7854    7.4384276 
+     900    21033.292    175.98127            0    3681.5299   -16.345167 
+     950    20968.166    186.59847            0    3681.2929    -2.330456 
+    1000     20490.66    266.19375            0    3681.3037    11.787983 
+    1050    20222.396    310.94072            0      3681.34   -8.3459539 
+    1100    21321.687    127.61533            0    3681.2299   -1.2184718 
+    1150    20849.582    206.01695            0    3680.9472   -0.8669916 
+    1200    21815.003    45.317417            0    3681.1512    1.5988314 
+    1250    18655.437    572.41453            0     3681.654    10.064076 
+    1300    20780.781    217.36504            0    3680.8286    6.0538619 
+    1350    20558.972     254.3648            0    3680.8601   -3.6773987 
+    1400    21485.029    99.812949            0    3680.6511   -16.185471 
+    1450    21771.108     52.15959            0    3680.6775   -2.4756681 
+    1500    21520.948    93.503949            0    3680.3286    2.1023578 
+    1550    21351.418     121.6814            0    3680.2511    5.5159978 
+    1600    20778.805    216.92171            0    3680.0559    15.089182 
+    1650    21477.639     100.2182            0    3679.8247   -1.1045944 
+    1700    18501.343    596.47853            0    3680.0357    -15.67963 
+    1750    18563.643    587.34767            0    3681.2882    33.532167 
+    1800     19110.19    494.82264            0    3679.8543    18.024034 
+    1850    21364.196    119.23454            0    3679.9339    2.5291491 
+    1900    20146.643    322.14595            0    3679.9197     5.731152 
+    1950     20692.67    231.25357            0    3680.0319    4.2977641 
+    2000    20943.904    189.11223            0     3679.763   -22.645645 
+    2050    19668.152    401.81407            0    3679.8394    3.6255896 
+    2100    20280.572    299.73976            0    3679.8351    7.4809355 
+    2150    19182.121    483.47905            0    3680.4992    22.615309 
+    2200     21299.76    130.77281            0    3680.7327    4.7114154 
+    2250    20487.784     266.4995            0    3681.1302   -8.6406776 
+    2300    18655.125    571.91487            0    3681.1023   -5.2671669 
+    2350    21512.614    95.766913            0    3681.2025   -9.3523428 
+    2400    21467.773    103.31519            0    3681.2773   -29.600307 
+    2450    20096.937    332.80159            0    3682.2911    35.890912 
+    2500    20761.446    222.16118            0    3682.4022   -12.528127 
+    2550      20409.6    280.67234            0    3682.2723   -22.277373 
+    2600    21469.964    103.95529            0    3682.2826   -10.038267 
+    2650    20708.138    231.00516            0    3682.3615    5.3659502 
+    2700    18584.743    585.07862            0    3682.5357    21.785261 
+    2750    20503.019    264.91491            0    3682.0847   -4.5583917 
+    2800    20584.075    251.44664            0    3682.1258   -6.5084595 
+    2850    17277.076    802.33356            0    3681.8462    15.519513 
+    2900    19392.956    449.92915            0    3682.0885   -4.3829957 
+    2950    18371.786    620.29835            0    3682.2626    7.2117592 
+    3000    20412.015    280.25302            0    3682.2555   0.32492606 
+    3050    20858.248    205.65269            0    3682.0273    4.5055715 
+    3100    21561.094    88.438447            0    3681.9541   -3.7523733 
+    3150    15471.278    1103.4497            0    3681.9961   -14.576367 
+    3200    15386.973    1117.8815            0     3682.377    15.051163 
+    3250    19741.037    392.04755            0    3682.2204   -2.6610995 
+    3300    20870.191    203.58229            0    3681.9475   -4.7795545 
+    3350    16648.228    907.66571            0    3682.3704   -8.9242511 
+    3400    20104.016    331.58603            0    3682.2554    6.4783858 
+    3450    21421.316    112.28228            0    3682.5015   -8.3484987 
+    3500    19284.533    467.80739            0    3681.8962   -12.835452 
+    3550    20160.125     322.4476            0    3682.4684    1.6574827 
+    3600    16682.415    902.73752            0      3683.14    22.383296 
+    3650     16762.19    890.14636            0    3683.8446    16.119412 
+    3700    17858.568    707.37212            0       3683.8   -1.6582504 
+    3750    20029.881    345.15986            0    3683.4733   -3.1415889 
+    3800        20734    227.99158            0    3683.6582   -7.9580418 
+    3850    20741.089    226.39408            0    3683.2423    8.3055765 
+    3900    18671.251    571.42296            0    3683.2981   -3.7468858 
+    3950    19547.209    423.14256            0    3681.0108    5.8312279 
+    4000    19739.799    393.58799            0    3683.5544    18.604884 
+    4050    20014.121     347.8176            0    3683.5044      9.93387 
+    4100    20503.654    266.08691            0    3683.3626    8.1304118 
+    4150    18309.702    632.29807            0    3683.9151 -0.0021480359 
+    4200    20509.423    265.60353            0    3683.8408   -2.1658857 
+    4250    21805.541    50.325935            0    3684.5828     1.082842 
+    4300    21420.551    114.90431            0    3684.9962   -1.7985998 
+    4350    20256.928    308.74187            0    3684.8966   -11.669472 
+    4400    21633.488    79.629274            0    3685.2106  -0.96131785 
+    4450    20793.327    219.66955            0    3685.2241    1.3752349 
+    4500    18719.484    564.86754            0    3684.7816    2.6308699 
+    4550    20966.335    190.68308            0    3685.0722   -18.587627 
+    4600    19428.962    446.59618            0    3684.7565   -4.4051672 
+    4650    18408.956    616.85009            0    3685.0095     2.777272 
+    4700    19215.779    482.57562            0    3685.2054    19.441016 
+    4750    20155.927    326.13401            0    3685.4553    6.1734993 
+    4800    20918.085    199.31832            0    3685.6659    3.4407437 
+    4850    20236.958    312.07276            0     3684.899    3.2612893 
+    4900     21419.89    115.36879            0    3685.3505    -4.675951 
+    4950    19707.901    401.14828            0    3685.7985   -10.730734 
+    5000    19407.201    450.64394            0    3685.1775    17.518981 
+    5050    21527.598    97.655186            0    3685.5882   -9.2294707 
+    5100    21581.933    88.595517            0    3685.5843   -20.669485 
+    5150    21161.214    158.48503            0    3685.3541   -2.7587502 
+    5200    21166.679    157.24762            0    3685.0275   -18.180044 
+    5250    20909.576    200.23507            0    3685.1644   -16.617303 
+    5300    21911.746    33.236563            0    3685.1942   -5.8313967 
+    5350    20857.303    208.87453            0    3685.0916    12.176312 
+    5400     20958.96    191.96694            0    3685.1269    3.6116429 
+    5450    20433.179    279.61178            0    3685.1415    13.324529 
+    5500    19604.675    416.88499            0    3684.3308    21.536484 
+    5550    18171.145    655.92915            0    3684.4534   -9.2269804 
+    5600    19799.907    385.12116            0    3685.1056    22.202165 
+    5650    19711.882    399.30581            0    3684.6194     15.93063 
+    5700    17908.833    699.52405            0    3684.3295   0.35530356 
+    5750    18606.518      583.538            0    3684.6243   -4.4540843 
+    5800    21814.053    48.974627            0    3684.6501   -1.5206358 
+    5850    18029.107     679.9357            0    3684.7868    12.137677 
+    5900    21090.739    169.64502            0    3684.7682   -1.5051545 
+    5950     21086.26    170.29075            0    3684.6674   -2.8164474 
+    6000    21285.771    136.95608            0    3684.5846   -26.582739 
+    6050    21203.994    150.87822            0    3684.8772   -2.6617226 
+    6100    21481.553    104.57796            0    3684.8368   -16.524974 
+    6150      20354.4    292.57675            0    3684.9767    2.7960207 
+    6200    21326.591    130.75243            0    3685.1843   -1.5929194 
+    6250    21505.087    101.07817            0    3685.2593   -3.7821931 
+    6300    21296.273     135.6593            0    3685.0382  -0.55635908 
+    6350    21295.389    135.86485            0    3685.0964    5.6614093 
+    6400    16552.242    926.02655            0    3684.7336    14.177218 
+    6450    20148.951     327.1151            0    3685.2736    7.4561085 
+    6500    20962.151    191.79415            0     3685.486   -4.5436711 
+    6550    21710.328    67.433972            0    3685.8219   -5.7678572 
+    6600    20698.571    234.79099            0    3684.5528   -2.1984068 
+    6650    17892.287    704.05484            0    3686.1026    11.525836 
+    6700    21272.999    141.26589            0    3686.7657   0.44088069 
+    6750    19558.993    426.46448            0    3686.2966   -16.907401 
+    6800    20350.247    295.23951            0    3686.9474    1.1284348 
+    6850     18665.05     573.5326            0    3684.3742    17.088712 
+    6900    19769.199     392.1551            0    3687.0216    6.7562425 
+    6950    19439.159    446.99138            0    3686.8512   -6.0105763 
+    7000    19379.907    456.53471            0    3686.5192   -9.0505095 
+    7050    19983.754    356.02523            0     3686.651   -5.6274314 
+    7100    19867.737    375.47627            0    3686.7658    17.315482 
+    7150    19258.794    477.47344            0    3687.2724    14.316676 
+    7200    21282.428    139.96051            0    3687.0318  -0.77043459 
+    7250    19828.603    381.98919            0    3686.7564    6.5142869 
+    7300    20574.582     257.8245            0    3686.9215   -3.6547118 
+    7350    21613.467    84.771568            0    3687.0161   -7.5188826 
+    7400    21817.009    50.844944            0    3687.0131   -14.888864 
+    7450    14937.538    1197.4257            0    3687.0154    1.7540499 
+    7500    18326.914    632.40374            0    3686.8894    8.3397357 
+    7550    13611.007    1418.4727            0    3686.9739   -19.379482 
+    7600    19173.985     491.9482            0    3687.6123    17.229001 
+    7650    16911.504    867.33649            0    3685.9204   -21.042834 
+    7700    21752.116    61.143705            0    3686.4963   -10.344487 
+    7750    20208.337    318.26355            0    3686.3197    13.385814 
+    7800    21649.909    77.950987            0    3686.2692   -1.7911084 
+    7850     20139.64    329.50319            0    3686.1098   -5.5805093 
+    7900    21355.026     126.7642            0    3685.9352   -7.7062172 
+    7950    21336.178    129.88925            0    3685.9188    -2.059298 
+    8000    21047.596    177.71546            0    3685.6482   0.37963466 
+    8050    19217.351    482.62331            0    3685.5152    6.5582595 
+    8100    20499.057     268.7173            0    3685.2268   -1.1959737 
+    8150    21494.301    102.83829            0    3685.2219   -1.6427647 
+    8200    20074.928    339.19817            0    3685.0195     6.285123 
+    8250    17335.157    793.47566            0    3682.6685    22.877381 
+    8300    17340.544    794.62619            0    3684.7168    3.9147755 
+    8350    20529.345    262.51162            0    3684.0691     4.031768 
+    8400    18884.747    537.47827            0    3684.9361    22.853404 
+    8450     20341.86    293.10484            0    3683.4148   0.33856656 
+    8500    19300.282    467.58127            0    3684.2949     12.35507 
+    8550    21631.936    78.254534            0    3683.5772   -10.992959 
+    8600    20204.913    316.83233            0    3684.3178     20.74228 
+    8650    21018.189    181.32054            0     3684.352    1.8412068 
+    8700    20161.304    323.97907            0    3684.1964    -2.646629 
+    8750     19081.79    504.00155            0    3684.2998   -10.088053 
+    8800    20834.489    211.76247            0    3684.1773    14.896336 
+    8850    20929.355    196.18335            0    3684.4092   -1.2602398 
+    8900    21491.074    102.47788            0    3684.3235   -1.4696758 
+    8950    20474.735    271.69461            0    3684.1504   -6.9489258 
+    9000    21128.641    162.40732            0    3683.8474   -7.7928168 
+    9050    18421.801    614.46442            0    3684.7646     24.40313 
+    9100    19301.292    466.98873            0    3683.8707    4.4687046 
+    9150    21575.705    88.213763            0    3684.1646  -0.94696984 
+    9200    20004.776    350.05448            0    3684.1838   -7.3466605 
+    9250    21384.079    120.14472            0    3684.1578   -8.3773844 
+    9300    21980.599    20.702393            0    3684.1356   -12.666293 
+    9350    21686.606    69.517984            0    3683.9524   -8.8366533 
+    9400    20732.704    228.46247            0    3683.9131   -6.4080307 
+    9450    19798.859    384.34696            0    3684.1568    7.6198484 
+    9500    20270.695    305.22664            0    3683.6758    1.5862486 
+    9550    16496.156    935.28481            0    3684.6441    15.001468 
+    9600    20642.429    241.08853            0    3681.4934   -9.2159382 
+    9650    21292.587     135.4474            0    3684.2119  -0.54770976 
+    9700    18888.158    536.60518            0    3684.6315    5.3236926 
+    9750    18750.018    559.35922            0    3684.3623   -9.9424949 
+    9800    20544.772    259.71076            0    3683.8394     8.732202 
+    9850    16698.125    901.90076            0    3684.9216    9.9553329 
+    9900    21450.963    109.58687            0    3684.7474   -4.8001999 
+    9950    20664.461    240.66995            0    3684.7468   -3.4840781 
+   10000    18951.367    526.45428            0    3685.0155    21.512727 
+Loop time of 8.99246 on 4 procs for 10000 steps with 81 atoms
+
+Performance: 9608.051 tau/day, 1112.043 timesteps/s
+93.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.01308    | 0.038162   | 0.084123   |  14.4 |  0.42
+Neigh   | 0.017227   | 0.032774   | 0.061983   |  10.0 |  0.36
+Comm    | 1.329      | 1.5822     | 1.8017     |  13.5 | 17.60
+Output  | 0.014984   | 0.029676   | 0.046035   |   6.6 |  0.33
+Modify  | 6.8022     | 7.1104     | 7.4356     |   8.6 | 79.07
+Other   |            | 0.1992     |            |       |  2.22
+
+Nlocal:    20.25 ave 81 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    46.25 ave 95 max 14 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+Neighs:    249.25 ave 997 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 997
+Ave neighs/atom = 12.3086
+Neighbor list builds = 993
+Dangerous builds = 943
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:09
diff --git a/examples/rigid/log.27Nov18.rigid.poems2.g++.1 b/examples/rigid/log.27Nov18.rigid.poems2.g++.1
new file mode 100644
index 0000000000..071e9bcc52
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.poems2.g++.1
@@ -0,0 +1,342 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple rigid body system
+
+units		lj
+atom_style	atomic
+
+pair_style	lj/cut 2.5
+
+read_data	data.rigid
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  81 atoms
+
+velocity 	all create 100.0 4928459
+
+# unconnected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 10 18
+#group		clump3 id <> 19 27
+#group		clump4 id <> 28 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 46 54
+#group		clump7 id <> 55 63
+#group		clump8 id <> 64 72
+#group		clump9 id <> 73 81
+
+#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 1 chain of connected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 9 18
+#group		clump3 id <> 18 27
+#group		clump4 id <> 27 36
+#group		clump5 id <> 36 45
+#group		clump6 id <> 45 54
+#group		clump7 id <> 54 63
+#group		clump8 id <> 63 72
+#group		clump9 id <> 72 81
+
+#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 2 chains of connected bodies
+
+group		clump1 id <> 1 9
+9 atoms in group clump1
+group		clump2 id <> 9 18
+10 atoms in group clump2
+group		clump3 id <> 18 27
+10 atoms in group clump3
+group		clump4 id <> 27 36
+10 atoms in group clump4
+group		clump5 id <> 37 45
+9 atoms in group clump5
+group		clump6 id <> 45 54
+10 atoms in group clump6
+group		clump7 id <> 54 63
+10 atoms in group clump7
+group		clump8 id <> 63 72
+10 atoms in group clump8
+group		clump9 id <> 72 81
+10 atoms in group clump9
+
+fix 1 all poems group clump1 clump2 clump3 clump4
+1 clusters, 4 bodies, 3 joints, 36 atoms
+fix 2 all poems group clump5 clump6 clump7 clump8 clump9
+1 clusters, 5 bodies, 4 joints, 45 atoms
+
+neigh_modify	exclude group clump1 clump1
+neigh_modify	exclude group clump2 clump2
+neigh_modify	exclude group clump3 clump3
+neigh_modify	exclude group clump4 clump4
+neigh_modify	exclude group clump5 clump5
+neigh_modify	exclude group clump6 clump6
+neigh_modify	exclude group clump7 clump7
+neigh_modify	exclude group clump8 clump8
+neigh_modify	exclude group clump9 clump9
+
+thermo		100
+
+#dump		1 all atom 50 dump.rigid.poems2
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 5
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 5
+
+timestep 	0.0001
+thermo		50
+run		10000
+WARNING: More than one fix poems (src/POEMS/fix_poems.cpp:363)
+WARNING: More than one fix poems (src/POEMS/fix_poems.cpp:363)
+WARNING: One or more atoms are time integrated more than once (src/modify.cpp:283)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 18 18 18
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.854 | 3.854 | 3.854 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0    196.00047    3632.2347            0    3668.5311   -2.7403788 
+      50    12167.633    1505.5478            0    3758.8133    35.125973 
+     100    17556.978    512.66277            0    3763.9549    11.137534 
+     150    19579.586    138.04942            0    3763.8987   -29.953971 
+     200     19757.51    105.30542            0    3764.1036 -0.030645317 
+     250    18218.374    390.10747            0    3763.8804    13.711001 
+     300    19383.039    174.40688            0    3763.8586    5.7240693 
+     350    20125.986    36.972611            0    3764.0071    1.9559205 
+     400    18888.816    266.10975            0    3764.0386    9.6362168 
+     450    19307.656     188.2511            0     3763.743    1.9326206 
+     500    16331.197    738.56392            0    3762.8597    9.1715579 
+     550    19318.722    186.16172            0    3763.7027    3.0115336 
+     600    19455.268    161.20621            0    3764.0336   0.55208034 
+     650    18487.011    340.03216            0    3763.5528   -8.0359122 
+     700    17321.201    556.32471            0    3763.9545   -13.631751 
+     750    18979.187    249.04389            0    3763.7082   -2.6072455 
+     800    19342.456    181.85552            0    3763.7918    8.1918726 
+     850    19070.641    232.19342            0    3763.7936    7.3148472 
+     900    19478.873    156.65987            0    3763.8586    2.4284987 
+     950    19912.415    76.437437            0    3763.9216   -1.4667227 
+    1000    16003.749    802.39753            0    3766.0548    46.642188 
+    1050    19859.583     86.64176            0    3764.3424   -2.1961943 
+    1100    19229.575    203.61488            0    3764.6473   -10.632365 
+    1150      18821.6    279.15861            0      3764.64  -0.89495035 
+    1200    19392.695    173.59744            0    3764.8373    1.8508753 
+    1250    16459.624    717.32104            0    3765.3995    33.478127 
+    1300    19343.863    182.59043            0    3764.7874   0.75890736 
+    1350    20019.643    57.503573            0    3764.8448   0.31444671 
+    1400    18549.582    329.31436            0    3764.4221    10.738303 
+    1450    15163.926    957.47585            0    3765.6103   -17.923459 
+    1500    19223.688    204.15175            0    3764.0939   -1.6134531 
+    1550    18147.996    404.12677            0    3764.8668    8.4194779 
+    1600    18615.043    317.42467            0    3764.6548   -2.3288934 
+    1650    20120.654    38.887913            0     3764.935   -8.7620277 
+    1700    19450.907    162.98272            0    3765.0025    2.3254731 
+    1750    19374.632    177.37966            0    3765.2744    8.9328774 
+    1800    19424.404    167.93966            0    3765.0514  0.081230261 
+    1850    17936.249    442.84231            0    3764.3699    6.6010636 
+    1900    19982.595    64.406198            0    3764.8868   -2.9529813 
+    1950    16215.852    761.91287            0    3764.8485    13.994708 
+    2000    18584.422    322.12049            0      3763.68    7.1654003 
+    2050    20107.965    41.025754            0     3764.723   -0.3109069 
+    2100    20002.333    60.593017            0    3764.7288   -6.7919784 
+    2150    16949.762    626.59623            0     3765.441     3.508941 
+    2200    20010.953    58.808279            0    3764.5403   -10.862172 
+    2250     18982.73    247.00892            0    3762.3292  -0.53807815 
+    2300    18401.298    354.87973            0    3762.5274    1.0920554 
+    2350    19390.524     172.9415            0    3763.7793   -3.3524932 
+    2400    16080.801    786.38838            0    3764.3146   -16.200514 
+    2450    18870.412    268.74976            0    3763.2705    11.197736 
+    2500     19688.29    117.58223            0    3763.5618     4.382644 
+    2550    18870.825    268.78678            0     3763.384   -5.6623656 
+    2600     17019.35    611.70808            0    3763.4395    6.3109641 
+    2650    18753.285     291.0596            0    3763.8902    2.4120296 
+    2700    19742.456    107.20901            0    3763.2193  -0.33061303 
+    2750    19522.438    148.16759            0    3763.4339   -1.6254851 
+    2800    18304.801    372.55152            0    3762.3295      22.6368 
+    2850     18465.36    343.48495            0    3762.9961    4.4169272 
+    2900    20151.999    31.372926            0    3763.2245    1.2013699 
+    2950    15498.143    892.80071            0    3762.8272    13.263724 
+    3000    18728.301    294.65113            0     3762.855    8.1897838 
+    3050    18538.466    330.25223            0    3763.3015    8.5865739 
+    3100    19081.409     229.5907            0    3763.1849   -4.8573813 
+    3150    18498.802    337.11548            0    3762.8195    1.0555321 
+    3200    19925.897    73.358029            0     3763.339   -7.7325108 
+    3250    19780.108    100.23785            0    3763.2209   -5.5974972 
+    3300    19221.043    203.82387            0    3763.2763    4.2703251 
+    3350    19025.292    240.11329            0    3763.3156    5.7708328 
+    3400    18153.696    401.52086            0    3763.3164    21.076943 
+    3450    18611.375    316.50396            0    3763.0548   -3.5484945 
+    3500    19931.319    71.969274            0    3762.9543    1.8764978 
+    3550    19747.562    106.05439            0    3763.0103   -2.5506186 
+    3600     18491.39     338.4134            0    3762.7449   -4.0527808 
+    3650    19757.998    104.19207            0    3763.0806    1.4865598 
+    3700    20108.003    39.345514            0    3763.0498  0.062827129 
+    3750    19222.505    203.28065            0    3763.0039   0.33719277 
+    3800    19286.383    191.08831            0    3762.6406   -0.1826802 
+    3850    19450.083    161.09138            0    3762.9587   -0.2708263 
+    3900    18002.304    429.25655            0    3763.0166   -4.6832439 
+    3950    17186.829    582.26502            0    3765.0111    55.816834 
+    4000    16826.434    645.84974            0     3761.856    19.675962 
+    4050    19227.526    202.18151            0    3762.8344   -0.2596098 
+    4100    19908.792    76.084531            0    3762.8978    -2.796813 
+    4150    17821.329    462.63065            0    3762.8768    13.069155 
+    4200    19917.133    74.574998            0    3762.9329   -6.4181155 
+    4250    19012.618    241.96787            0     3762.823    4.0847974 
+    4300     19077.34    229.98133            0    3762.8221     4.324323 
+    4350    19361.128    177.47406            0    3762.8681    -7.377974 
+    4400    18565.044    324.95107            0    3762.9223    2.5229032 
+    4450    19352.406    178.98756            0    3762.7665   0.10862717 
+    4500    18482.218    340.15496            0     3762.788    12.518301 
+    4550    18359.732    362.83749            0    3762.7879    3.7500902 
+    4600    19623.618    128.71624            0    3762.7196   -1.1328521 
+    4650    17565.707    509.99904            0    3762.9078    1.7135935 
+    4700    19876.052    81.892814            0    3762.6431   0.32476108 
+    4750    19022.676    239.92262            0    3762.6403  -0.24613022 
+    4800    18862.685    269.24248            0    3762.3324    6.2733979 
+    4850    19899.174    77.426145            0    3762.4584   0.42535238 
+    4900    18250.865    382.72867            0    3762.5185    23.308462 
+    4950    18895.847    263.22651            0    3762.4575    8.0634675 
+    5000    19096.705    225.69358            0    3762.1204    3.6816481 
+    5050    16546.294    698.91312            0    3763.0416    17.453618 
+    5100    19501.208    151.20999            0    3762.5449   -1.1231291 
+    5150    19479.879    155.00669            0    3762.3917    -3.983378 
+    5200    17397.818    541.23039            0    3763.0485    6.1109992 
+    5250    18564.869    324.10557            0    3762.0442    9.2244762 
+    5300    16271.663    747.52374            0    3760.7947   -6.5256602 
+    5350    19831.418    89.851887            0    3762.3367   -2.3453958 
+    5400    18723.697    294.67435            0    3762.0256    4.6822081 
+    5450     19547.28    142.21934            0     3762.086   -5.5243408 
+    5500    19415.447    166.68729            0    3762.1404   -9.5658991 
+    5550    18492.721    337.54773            0    3762.1256    6.5184903 
+    5600    19391.389    171.14375            0    3762.1416  -0.53835361 
+    5650    18503.465    334.62751            0    3761.1951    4.6580363 
+    5700    18153.344    399.91064            0    3761.6409    12.851587 
+    5750    18342.297    365.14769            0    3761.8694    2.7148176 
+    5800    19583.241    135.64969            0    3762.1758    -1.089608 
+    5850    15967.283    804.18382            0     3761.088    11.278762 
+    5900    19040.271    235.35509            0    3761.3312    5.1352158 
+    5950    17920.962    443.17951            0    3761.8762    4.9621366 
+    6000     19100.92     224.3946            0     3761.602    -9.537589 
+    6050    17982.119     432.3251            0    3762.3472    -2.851617 
+    6100    16233.096    755.46191            0    3761.5908    25.113316 
+    6150    18316.543    370.01118            0    3761.9635   -1.7445703 
+    6200    18483.464    339.13282            0    3761.9966   -2.0857447 
+    6250    18609.406    315.56032            0    3761.7467   -12.289208 
+    6300    17167.919    582.68212            0    3761.9264   -3.8263397 
+    6350    17870.329    452.58116            0    3761.9013   -3.3843134 
+    6400    19309.717    186.11786            0    3761.9913   -4.9462739 
+    6450    17964.073    435.39924            0    3762.0794    12.272972 
+    6500    18772.847    285.61959            0    3762.0727    6.7928648 
+    6550    18915.116    259.41365            0     3762.213   -4.1449761 
+    6600    19446.628    161.18763            0     3762.415   -2.1906581 
+    6650    16348.787    734.99282            0     3762.546   -9.9624546 
+    6700    19066.684    231.43863            0    3762.3061    -5.362833 
+    6750    14890.323     1004.547            0    3762.0143    37.373013 
+    6800     18235.19      385.253            0    3762.1401   0.21012662 
+    6850    16447.997    716.11276            0    3762.0382   -9.2095411 
+    6900    18343.362    364.81902            0    3761.7379    10.417932 
+    6950    16014.084    797.13348            0    3762.7046    6.7906777 
+    7000    19120.393    221.29236            0    3762.1059   -1.3461375 
+    7050    18055.409    418.30136            0    3761.8957    1.5772317 
+    7100    18407.231    353.41868            0    3762.1652   0.61071769 
+    7150    18728.136    293.64021            0    3761.8136    5.1649654 
+    7200    17706.628    483.07628            0    3762.0815    18.000708 
+    7250    19349.505    178.89673            0    3762.1385     2.540201 
+    7300    20016.293    55.389159            0    3762.1101   -1.5793163 
+    7350    19398.573    169.86661            0    3762.1949    -5.060123 
+    7400    19466.526    157.37407            0    3762.2862    1.7158273 
+    7450    18440.348    347.09196            0    3761.9712    12.781963 
+    7500    19989.907    60.555934            0    3762.3906   -1.5033319 
+    7550     19667.28    120.27403            0     3762.363   -3.3502366 
+    7600    18497.707    336.15863            0      3761.66    1.7887539 
+    7650    17901.957    447.17282            0    3762.3501  0.016725252 
+    7700    19758.725     103.3129            0    3762.3361   -23.534448 
+    7750    19443.957     161.6532            0     3762.386   -10.323924 
+    7800    19776.178     100.1773            0    3762.4324    6.0854422 
+    7850    19242.512    198.86705            0    3762.2952    5.2823659 
+    7900    19499.929    151.30366            0    3762.4017    12.299911 
+    7950    19630.317    127.19541            0    3762.4393    8.0799632 
+    8000    19872.384    82.421129            0    3762.4923    2.2126691 
+    8050    17747.038    476.27982            0    3762.7683   -7.7042786 
+    8100    18832.654    274.78106            0    3762.3095    13.882157 
+    8150    19949.814     68.09711            0    3762.5072  -0.54410896 
+    8200    17555.866    511.02517            0    3762.1115    6.2471175 
+    8250      17800.1     465.9992            0     3762.314    13.583485 
+    8300    19755.224    103.89732            0    3762.2721    -1.487243 
+    8350     17583.61    506.17539            0    3762.3995   -9.7819128 
+    8400    18529.003    330.75623            0    3762.0532    14.731228 
+    8450    20155.902    29.797078            0    3762.3716   -8.5711085 
+    8500    18047.548    420.54645            0     3762.685    7.3875118 
+    8550    19790.794    97.493375            0    3762.4553   -3.3427911 
+    8600    19997.902    59.172074            0    3762.4874    3.3479688 
+    8650    19987.319    61.148363            0    3762.5037    -1.889232 
+    8700     19363.91    176.41833            0    3762.3276   -9.4291288 
+    8750    18712.689     296.3979            0    3761.7107    5.9221369 
+    8800     19783.17    98.860518            0    3762.4105   -3.5262066 
+    8850    18796.049    281.60057            0    3762.3504   -8.2913002 
+    8900    16738.277    662.62261            0    3762.3035    8.5838631 
+    8950    17869.613    452.25006            0    3761.4377    11.561101 
+    9000    18682.512    302.27997            0    3762.0043    3.8878724 
+    9050    17513.759    518.50265            0    3761.7914     23.05778 
+    9100    17500.686    521.57944            0    3762.4473   -2.8435751 
+    9150    19645.683    124.43597            0    3762.5254   -3.0193092 
+    9200    18898.897    262.76552            0    3762.5612    3.5891701 
+    9250    20114.279    37.614866            0    3762.4813  -0.58120871 
+    9300    19562.613    139.54073            0    3762.2468   -3.2630158 
+    9350    19679.811    118.05865            0     3762.468   -3.4644363 
+    9400    19297.384    188.84527            0    3762.4349   0.40498037 
+    9450    18267.029    379.52581            0     3762.309  -0.13762867 
+    9500    19951.072     67.63844            0    3762.2814    -7.575539 
+    9550    19134.562    218.46835            0    3761.9057   -1.9626244 
+    9600    19089.093    227.29178            0    3762.3089     -1.94158 
+    9650    16964.603    620.71289            0    3762.3061    16.987042 
+    9700    18846.881     271.3129            0    3761.4761    3.4458802 
+    9750    19309.225     186.0142            0    3761.7966    9.4048627 
+    9800    16359.704    733.51007            0    3763.0849    15.870164 
+    9850    19958.532    66.203725            0    3762.2282    6.0043645 
+    9900    19864.564    83.502384            0    3762.1253  -0.65360617 
+    9950    18996.789    244.25101            0    3762.1749   -2.4961826 
+   10000    17933.494    441.33587            0    3762.3532   -6.0731708 
+Loop time of 6.84978 on 1 procs for 10000 steps with 81 atoms
+
+Performance: 12613.550 tau/day, 1459.902 timesteps/s
+96.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.1054     | 0.1054     | 0.1054     |   0.0 |  1.54
+Neigh   | 0.081336   | 0.081336   | 0.081336   |   0.0 |  1.19
+Comm    | 0.017124   | 0.017124   | 0.017124   |   0.0 |  0.25
+Output  | 0.0050254  | 0.0050254  | 0.0050254  |   0.0 |  0.07
+Modify  | 6.6313     | 6.6313     | 6.6313     |   0.0 | 96.81
+Other   |            | 0.00962    |            |       |  0.14
+
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    71 ave 71 max 71 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    612 ave 612 max 612 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 612
+Ave neighs/atom = 7.55556
+Neighbor list builds = 989
+Dangerous builds = 906
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:06
diff --git a/examples/rigid/log.27Nov18.rigid.poems2.g++.4 b/examples/rigid/log.27Nov18.rigid.poems2.g++.4
new file mode 100644
index 0000000000..36856d97ec
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.poems2.g++.4
@@ -0,0 +1,342 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple rigid body system
+
+units		lj
+atom_style	atomic
+
+pair_style	lj/cut 2.5
+
+read_data	data.rigid
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  81 atoms
+
+velocity 	all create 100.0 4928459
+
+# unconnected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 10 18
+#group		clump3 id <> 19 27
+#group		clump4 id <> 28 36
+#group		clump5 id <> 37 45
+#group		clump6 id <> 46 54
+#group		clump7 id <> 55 63
+#group		clump8 id <> 64 72
+#group		clump9 id <> 73 81
+
+#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 1 chain of connected bodies
+
+#group		clump1 id <> 1 9
+#group		clump2 id <> 9 18
+#group		clump3 id <> 18 27
+#group		clump4 id <> 27 36
+#group		clump5 id <> 36 45
+#group		clump6 id <> 45 54
+#group		clump7 id <> 54 63
+#group		clump8 id <> 63 72
+#group		clump9 id <> 72 81
+
+#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 #	  	      clump6 clump7 clump8 clump9
+
+# 2 chains of connected bodies
+
+group		clump1 id <> 1 9
+9 atoms in group clump1
+group		clump2 id <> 9 18
+10 atoms in group clump2
+group		clump3 id <> 18 27
+10 atoms in group clump3
+group		clump4 id <> 27 36
+10 atoms in group clump4
+group		clump5 id <> 37 45
+9 atoms in group clump5
+group		clump6 id <> 45 54
+10 atoms in group clump6
+group		clump7 id <> 54 63
+10 atoms in group clump7
+group		clump8 id <> 63 72
+10 atoms in group clump8
+group		clump9 id <> 72 81
+10 atoms in group clump9
+
+fix 1 all poems group clump1 clump2 clump3 clump4
+1 clusters, 4 bodies, 3 joints, 36 atoms
+fix 2 all poems group clump5 clump6 clump7 clump8 clump9
+1 clusters, 5 bodies, 4 joints, 45 atoms
+
+neigh_modify	exclude group clump1 clump1
+neigh_modify	exclude group clump2 clump2
+neigh_modify	exclude group clump3 clump3
+neigh_modify	exclude group clump4 clump4
+neigh_modify	exclude group clump5 clump5
+neigh_modify	exclude group clump6 clump6
+neigh_modify	exclude group clump7 clump7
+neigh_modify	exclude group clump8 clump8
+neigh_modify	exclude group clump9 clump9
+
+thermo		100
+
+#dump		1 all atom 50 dump.rigid.poems2
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 5
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 5
+
+timestep 	0.0001
+thermo		50
+run		10000
+WARNING: More than one fix poems (src/POEMS/fix_poems.cpp:363)
+WARNING: More than one fix poems (src/POEMS/fix_poems.cpp:363)
+WARNING: One or more atoms are time integrated more than once (src/modify.cpp:283)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 18 18 18
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.825 | 3.919 | 4.201 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0    196.00047    3632.2347            0    3668.5311   -2.7403788 
+      50    12167.633    1505.5478            0    3758.8133    35.125973 
+     100    17556.978    512.66277            0    3763.9549    11.137534 
+     150    19579.586    138.04942            0    3763.8987   -29.953971 
+     200     19757.51    105.30542            0    3764.1036 -0.030645317 
+     250    18218.374    390.10747            0    3763.8804    13.711001 
+     300    19383.039    174.40688            0    3763.8586    5.7240693 
+     350    20125.986    36.972611            0    3764.0071    1.9559205 
+     400    18888.816    266.10975            0    3764.0386    9.6362168 
+     450    19307.656     188.2511            0     3763.743    1.9326206 
+     500    16331.197    738.56392            0    3762.8597    9.1715579 
+     550    19318.722    186.16172            0    3763.7027    3.0115336 
+     600    19455.268    161.20621            0    3764.0336   0.55208034 
+     650    18487.011    340.03216            0    3763.5528   -8.0359122 
+     700    17321.201    556.32471            0    3763.9545   -13.631751 
+     750    18979.187    249.04389            0    3763.7082   -2.6072455 
+     800    19342.456    181.85552            0    3763.7918    8.1918726 
+     850    19070.641    232.19342            0    3763.7936    7.3148472 
+     900    19478.873    156.65987            0    3763.8586    2.4284987 
+     950    19912.415    76.437437            0    3763.9216   -1.4667227 
+    1000    16003.749    802.39753            0    3766.0548    46.642188 
+    1050    19859.583     86.64176            0    3764.3424   -2.1961943 
+    1100    19229.575    203.61488            0    3764.6473   -10.632365 
+    1150      18821.6    279.15861            0      3764.64  -0.89495035 
+    1200    19392.695    173.59744            0    3764.8373    1.8508753 
+    1250    16459.624    717.32104            0    3765.3995    33.478127 
+    1300    19343.863    182.59043            0    3764.7874   0.75890736 
+    1350    20019.643    57.503573            0    3764.8448   0.31444671 
+    1400    18549.582    329.31436            0    3764.4221    10.738303 
+    1450    15163.926    957.47585            0    3765.6103   -17.923459 
+    1500    19223.688    204.15176            0    3764.0939   -1.6134529 
+    1550    18147.996    404.12677            0    3764.8668    8.4194781 
+    1600    18615.043    317.42468            0    3764.6548   -2.3288926 
+    1650    20120.654    38.887908            0     3764.935   -8.7620288 
+    1700    19450.907    162.98267            0    3765.0025    2.3254739 
+    1750    19374.631     177.3797            0    3765.2744    8.9328773 
+    1800    19424.404    167.93965            0    3765.0514  0.081228843 
+    1850    17936.227    442.84645            0    3764.3699    6.6011251 
+    1900    19982.595    64.406244            0    3764.8868    -2.952971 
+    1950    16215.818    761.91942            0    3764.8486    13.994877 
+    2000    18584.433    322.11846            0    3763.6801    7.1653695 
+    2050    20107.965    41.025796            0     3764.723  -0.31089763 
+    2100    20002.329    60.593879            0    3764.7288   -6.7919882 
+    2150    16949.817    626.58598            0    3765.4409    3.5087505 
+    2200    20010.954      58.8082            0    3764.5403   -10.862143 
+    2250    18982.732    247.00854            0    3762.3293  -0.53812607 
+    2300    18401.276    354.88369            0    3762.5274    1.0921058 
+    2350    19390.535    172.93951            0    3763.7793   -3.3524354 
+    2400    16080.475    786.44896            0    3764.3146   -16.201558 
+    2450    18870.293    268.77171            0    3763.2704    11.199749 
+    2500    19688.508    117.54164            0    3763.5617    4.3806994 
+    2550    18870.328    268.87896            0    3763.3841   -5.6641099 
+    2600    17020.211    611.54841            0    3763.4394    6.3081434 
+    2650    18748.838    291.88478            0    3763.8917    2.4175163 
+    2700    19743.991    106.92945            0     3763.224  -0.33916964 
+    2750    19525.446    147.60906            0    3763.4324   -1.6251174 
+    2800    18257.411    381.40184            0    3762.4038     23.39495 
+    2850    18496.796    337.65425            0    3762.9868    4.3657735 
+    2900    20163.418    29.253902            0    3763.2203    1.4431917 
+    2950    16823.317    646.69817            0    3762.1273    4.9041552 
+    3000    19223.007     203.2529            0     3763.069    4.0414458 
+    3050     17391.02    542.93746            0    3763.4968    15.139863 
+    3100      19205.6    206.57791            0    3763.1705    4.8519241 
+    3150    19835.659    90.247763            0    3763.5179   -14.900053 
+    3200    18962.776     251.5838            0    3763.2089   -13.706561 
+    3250    19418.837    167.29058            0    3763.3716   -2.0866468 
+    3300    18628.291    313.69067            0    3763.3742    5.9919715 
+    3350    17465.974    529.14439            0    3763.5841    14.122593 
+    3400    18488.661     339.6186            0    3763.4448    21.526798 
+    3450    19163.152    214.26098            0    3762.9928    4.1888096 
+    3500     18000.27    429.81789            0    3763.2011    5.4734485 
+    3550    19582.423    136.71887            0    3763.0935   -2.5335675 
+    3600    19634.325     127.2219            0     3763.208   -1.9728322 
+    3650    19428.114    165.40707            0    3763.2059   -2.3318779 
+    3700    19861.116    85.356944            0    3763.3414   -3.9097609 
+    3750    19337.239    182.43992            0    3763.4102   -3.3559651 
+    3800    19493.146    153.40349            0    3763.2453  -0.71089657 
+    3850    18607.616    317.74889            0    3763.6037     3.475832 
+    3900     19719.59     111.5553            0    3763.3313   0.58876668 
+    3950    19756.661     104.5522            0    3763.1931    3.7526698 
+    4000    17904.708     447.1673            0     3762.854    12.270654 
+    4050    19588.087    135.80435            0    3763.2279   0.94578945 
+    4100    19065.901    232.38235            0    3763.1048   -2.7495195 
+    4150    18775.075     286.2257            0    3763.0915   -3.7039858 
+    4200    18800.725    281.46601            0    3763.0817   0.15619543 
+    4250    19732.687    108.90618            0    3763.1075    3.0865861 
+    4300    18278.151    377.63653            0    3762.4794    1.5768601 
+    4350    17915.757     445.4804            0    3763.2133   -3.7040484 
+    4400    15987.794    802.41575            0    3763.1183    22.252078 
+    4450     19302.37    188.69495            0    3763.2079   0.91081327 
+    4500     20039.32    52.304099            0    3763.2893   -2.0828905 
+    4550    19535.953     145.4374            0    3763.2064   -3.3804255 
+    4600    19700.723    114.79823            0    3763.0803   -1.1761163 
+    4650    17804.641    465.85788            0    3763.0136    7.5947192 
+    4700    19913.881    75.240289            0     3762.996   -2.1100557 
+    4750    19982.484    62.535995            0     3762.996   -4.5821237 
+    4800     17400.76    540.21707            0      3762.58   -5.8418778 
+    4850     19199.88    206.90989            0    3762.4433    3.4536341 
+    4900     19173.92    212.11327            0    3762.8392    5.0387071 
+    4950    19236.635    200.57537            0    3762.9152   -1.4932783 
+    5000    19077.616    230.04967            0    3762.9415    4.3742655 
+    5050    19893.763    78.909747            0      3762.94   -1.5796711 
+    5100    18884.746    265.68301            0    3762.8583    2.2767949 
+    5150    17417.096    537.54036            0    3762.9286   -2.8632555 
+    5200    18247.844    383.60092            0    3762.8312    10.384179 
+    5250    19494.107    152.60532            0    3762.6251   -4.7617287 
+    5300    18739.781    292.46206            0    3762.7919    23.210048 
+    5350    19310.938    186.62363            0    3762.7232    14.895327 
+    5400     19540.39    144.14287            0    3762.7336     6.094624 
+    5450    20074.459    45.247888            0    3762.7403   -2.0871835 
+    5500    19986.377    61.668045            0     3762.849   -2.4551918 
+    5550    19038.904    237.07578            0    3762.7987    5.4250813 
+    5600    19439.124     163.1438            0    3762.9816    4.1291468 
+    5650    19480.321    155.58325            0    3763.0501   -3.5308058 
+    5700    19869.291    83.651379            0    3763.1497   -7.8661592 
+    5750    19991.447    61.068554            0    3763.1884   -6.8473586 
+    5800    19454.072    160.36805            0    3762.9739     1.527662 
+    5850    17994.409    430.95597            0    3763.2539   -5.6078082 
+    5900    19209.794    205.74997            0    3763.1193    8.4113055 
+    5950    19046.427    236.06321            0    3763.1793    10.463356 
+    6000    19409.899    168.95271            0    3763.3785     2.542067 
+    6050    18068.174    417.35443            0    3763.3125    10.498199 
+    6100    19549.253    143.21885            0    3763.4509    2.3075797 
+    6150    18464.719     344.0303            0    3763.4228   0.46469762 
+    6200    19811.205     94.62725            0    3763.3689    1.2382763 
+    6250     18715.36    297.26445            0    3763.0718   -3.4541762 
+    6300    17115.664    594.09913            0    3763.6666    4.2065564 
+    6350    18155.927    400.71764            0    3762.9264    1.1521258 
+    6400    19873.093    83.169067            0    3763.3716   0.16383592 
+    6450     19991.88     61.13218            0    3763.3321   -1.3008128 
+    6500    19434.416    164.40698            0    3763.3728   -13.593422 
+    6550    19855.253    86.645329            0     3763.544  -0.85704037 
+    6600    19251.141    198.41152            0    3763.4376    4.3027745 
+    6650    19741.815    107.69047            0     3763.582     4.994835 
+    6700    19633.466    127.69333            0    3763.5203    6.3677145 
+    6750    16231.353    757.83705            0    3763.6431   -1.5978692 
+    6800    18863.396     270.1114            0    3763.3329   -11.915909 
+    6850    19644.779    125.29421            0    3763.2163    -1.151217 
+    6900    18883.642    266.06889            0    3763.0397   -4.3950749 
+    6950    19042.364    236.54144            0    3762.9052    5.5718878 
+    7000    18351.868    364.38028            0    3762.8743    7.8958273 
+    7050    19981.031    62.840667            0    3763.0316   -5.8572298 
+    7100    19796.372    97.073665            0    3763.0685   -3.5178361 
+    7150    19805.385    95.235221            0     3762.899   -2.5481726 
+    7200    18722.055    295.86113            0    3762.9084    13.826356 
+    7250    19537.304    144.54234            0    3762.5616    1.2288666 
+    7300    18787.328    283.49504            0    3762.6299    9.0044469 
+    7350    18886.005    265.52121            0    3762.9295    6.6791881 
+    7400    19891.864    79.239278            0    3762.9178   -2.3882842 
+    7450    18164.752    399.07065            0    3762.9137    3.9400481 
+    7500    18702.612      299.582            0    3763.0286    4.7987316 
+    7550    19884.986    80.231665            0    3762.6365  -0.75016515 
+    7600    19549.059    142.16243            0    3762.3586   -2.1035756 
+    7650    18223.668     387.9047            0     3762.658   -17.064339 
+    7700      19428.4    164.79531            0    3762.6473   -2.8342541 
+    7750    19239.584    199.93029            0    3762.8163    3.1746033 
+    7800    19458.005    159.46176            0    3762.7961     1.714515 
+    7850    18320.308    369.77051            0    3762.4202    2.1422976 
+    7900    18817.415    278.04812            0    3762.7546   0.94492621 
+    7950    19892.761    79.115928            0    3762.9606    1.4948501 
+    8000    19592.344     134.7639            0    3762.9758   -1.8520224 
+    8050    19316.109    185.70579            0    3762.7631   -4.8061205 
+    8100    19867.017    83.850395            0    3762.9277    -3.496391 
+    8150    19129.936    220.29802            0    3762.8789   -2.8357376 
+    8200    18449.554    346.30415            0    3762.8883    1.4417837 
+    8250    18405.197    354.49049            0    3762.8602    6.7020283 
+    8300    18310.437    372.25376            0    3763.0755    3.9043508 
+    8350    18842.702    273.55075            0      3762.94   -10.987272 
+    8400    18574.308    323.33378            0    3763.0204    12.008785 
+    8450    15368.628    918.21692            0    3764.2591     34.80292 
+    8500    18432.887    349.54013            0    3763.0378 0.00064258465 
+    8550     15777.73    841.79263            0    3763.5945    15.473699 
+    8600    17205.381     576.4515            0    3762.6331    2.3985544 
+    8650    19773.742    101.48276            0    3763.2869    2.3978892 
+    8700    19059.824    232.99716            0    3762.5941    5.2611349 
+    8750    19006.086    243.41125            0    3763.0568    4.7880403 
+    8800    19492.691     153.0188            0    3762.7763    1.9118755 
+    8850    19625.883    128.44474            0    3762.8675    3.4157389 
+    8900     19916.97    74.635094            0    3762.9629   -10.157254 
+    8950    16012.956    798.16801            0    3763.5302    16.904998 
+    9000    19364.051    177.00354            0    3762.9389   -13.373346 
+    9050    19133.929    219.61882            0    3762.9389   -7.3824392 
+    9100    18657.168    307.85939            0    3762.8905    9.3071421 
+    9150    17975.904    434.21548            0    3763.0867    6.9609506 
+    9200    19075.282    230.41699            0    3762.8767    7.0961232 
+    9250    20115.276    37.578674            0    3762.6298    1.8678552 
+    9300    18195.486    393.20682            0    3762.7413    13.272552 
+    9350    19617.155    129.85893            0    3762.6653   -2.0849447 
+    9400    19276.325    193.03425            0     3762.724   -2.8963555 
+    9450    18642.803     310.4759            0    3762.8467     3.407984 
+    9500    19175.951    211.72785            0    3762.8298  -0.39025564 
+    9550    17669.191    490.85942            0    3762.9319    5.3867954 
+    9600    18481.199    340.29485            0    3762.7391    8.9004886 
+    9650    20091.442    42.504743            0    3763.1422   -1.3206133 
+    9700    19651.405    124.04835            0    3763.1975    1.4000525 
+    9750    19138.245    219.03637            0    3763.1558    5.8352794 
+    9800    19189.146    209.67958            0    3763.2251     6.214691 
+    9850    19899.376    78.096337            0     3763.166  -0.75102404 
+    9900    19447.247    161.27279            0    3762.6149   -6.4166376 
+    9950    19807.083    95.152663            0    3763.1309  -0.88933698 
+   10000    18972.157    249.56342            0    3762.9258    1.9189241 
+Loop time of 9.05599 on 4 procs for 10000 steps with 81 atoms
+
+Performance: 9540.646 tau/day, 1104.241 timesteps/s
+94.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.009043   | 0.030098   | 0.048276   |   8.1 |  0.33
+Neigh   | 0.012702   | 0.02622    | 0.04009    |   6.1 |  0.29
+Comm    | 0.99902    | 1.2924     | 1.6008     |  24.3 | 14.27
+Output  | 0.0057414  | 0.010684   | 0.024912   |   7.9 |  0.12
+Modify  | 7.2674     | 7.5881     | 7.9123     |  10.6 | 83.79
+Other   |            | 0.1085     |            |       |  1.20
+
+Nlocal:    20.25 ave 37 max 0 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Nghost:    17.75 ave 33 max 4 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Neighs:    144.75 ave 356 max 0 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+
+Total # of neighbors = 579
+Ave neighs/atom = 7.14815
+Neighbor list builds = 994
+Dangerous builds = 958
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:09
diff --git a/examples/rigid/log.20Apr18.rigid.property.g++.4 b/examples/rigid/log.27Nov18.rigid.property.g++.1
similarity index 90%
rename from examples/rigid/log.20Apr18.rigid.property.g++.4
rename to examples/rigid/log.27Nov18.rigid.property.g++.1
index c34324b19c..e6ab4ed102 100644
--- a/examples/rigid/log.20Apr18.rigid.property.g++.4
+++ b/examples/rigid/log.27Nov18.rigid.property.g++.1
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -12,7 +12,7 @@ fix 0 all property/atom i_bodies
 
 read_data	data.rigid-property fix 0 NULL Bodies
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -108,7 +108,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.017 | 4.111 | 4.392 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.046 | 4.046 | 4.046 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -162,8 +162,8 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722854e-05            0    5269.5046    14.510657 
-    2650    16733.017     1.705148            0    5269.5067    14.596295 
+    2600    16738.427 -7.972284e-05            0    5269.5046    14.510657 
+    2650    16733.017    1.7051479            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
     2800    16738.585 -0.046813448            0    5269.5076    14.511073 
@@ -171,7 +171,7 @@ Step Temp E_pair E_mol TotEng Press
     2900    16738.465 -0.0026252725            0     5269.514    14.510277 
     2950    16738.476 -0.0082220764            0     5269.512    14.510223 
     3000     16738.66 -0.071284779            0     5269.507    14.509758 
-    3050    16715.332    7.2419351            0     5269.476    14.870305 
+    3050    16715.332    7.2419352            0     5269.476    14.870305 
     3100    16653.226    26.818761            0    5269.5009    14.496764 
     3150    16739.351  -0.30690375            0    5269.4886    13.643904 
     3200    16733.238    1.6025328            0    5269.4737    12.016934 
@@ -181,7 +181,7 @@ Step Temp E_pair E_mol TotEng Press
     3400    16738.543 -0.042215005            0    5269.4991    12.092809 
     3450    16738.591 -0.059327511            0    5269.4972    12.092536 
     3500    16738.759  -0.11761245            0    5269.4918     12.09203 
-    3550    16713.405     7.846062            0    5269.4737    12.389816 
+    3550    16713.405    7.8460621            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
     3700    16738.602 -0.070934368            0    5269.4889    12.025288 
@@ -279,8 +279,8 @@ Step Temp E_pair E_mol TotEng Press
     8300    16738.471            0            0    5269.5187    12.011719 
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
-    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
+    8450    16738.473 -0.00039690666            0    5269.5189    12.011706 
+    8500    16738.481 -0.0034646804            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532811            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -300,38 +300,38 @@ Step Temp E_pair E_mol TotEng Press
     9350     16738.48            0            0    5269.5214    12.011744 
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
-    9500    16738.481 -0.00037652437            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156159            0    5269.5203    12.011611 
-    9600    16738.549 -0.026814369            0    5269.5163    12.011415 
+    9500    16738.481 -0.00037652434            0    5269.5216    12.011692 
+    9550    16738.493 -0.005315616            0    5269.5203    12.011611 
+    9600    16738.549 -0.026814368            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589887            0    5269.4979    12.062708 
-    9750    16738.013     0.135501            0    5269.5101    11.407245 
-    9800    16738.512 -0.011620329            0    5269.5201    11.394973 
-    9850    16738.489 -0.00067270548            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984569            0    5269.5242    11.395084 
+    9700    16735.041    1.0589885            0    5269.4979    12.062708 
+    9750    16738.013   0.13550123            0    5269.5101    11.407245 
+    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270523            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984554            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.206235 on 4 procs for 10000 steps with 81 atoms
+Loop time of 0.156049 on 1 procs for 10000 steps with 81 atoms
 
-Performance: 418940.303 tau/day, 48488.461 timesteps/s
-97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 553673.043 tau/day, 64082.528 timesteps/s
+97.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0026572  | 0.004187   | 0.0050838  |   1.5 |  2.03
-Neigh   | 0.012115   | 0.012789   | 0.013634   |   0.5 |  6.20
-Comm    | 0.084275   | 0.089969   | 0.095318   |   1.5 | 43.62
-Output  | 0.0048559  | 0.0051559  | 0.0059836  |   0.7 |  2.50
-Modify  | 0.077074   | 0.083586   | 0.088022   |   1.5 | 40.53
-Other   |            | 0.01055    |            |       |  5.11
+Pair    | 0.010187   | 0.010187   | 0.010187   |   0.0 |  6.53
+Neigh   | 0.040601   | 0.040601   | 0.040601   |   0.0 | 26.02
+Comm    | 0.013221   | 0.013221   | 0.013221   |   0.0 |  8.47
+Output  | 0.0016611  | 0.0016611  | 0.0016611  |   0.0 |  1.06
+Modify  | 0.085107   | 0.085107   | 0.085107   |   0.0 | 54.54
+Other   |            | 0.005271   |            |       |  3.38
 
-Nlocal:    20.25 ave 38 max 3 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-Nghost:    27.25 ave 48 max 13 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
+Nlocal:    81 ave 81 max 81 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    84 ave 84 max 84 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.20Apr18.rigid.property.g++.1 b/examples/rigid/log.27Nov18.rigid.property.g++.4
similarity index 92%
rename from examples/rigid/log.20Apr18.rigid.property.g++.1
rename to examples/rigid/log.27Nov18.rigid.property.g++.4
index 76ef36825b..f63e34bc4b 100644
--- a/examples/rigid/log.20Apr18.rigid.property.g++.1
+++ b/examples/rigid/log.27Nov18.rigid.property.g++.4
@@ -1,4 +1,4 @@
-LAMMPS (20 Apr 2018)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Simple rigid body system
 
@@ -12,7 +12,7 @@ fix 0 all property/atom i_bodies
 
 read_data	data.rigid-property fix 0 NULL Bodies
   orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
+  1 by 2 by 2 MPI processor grid
   reading atoms ...
   81 atoms
 
@@ -108,7 +108,7 @@ Neighbor list info ...
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.046 | 4.046 | 4.046 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.017 | 4.111 | 4.392 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0    115.29439    5235.9179            0    5272.2142   -2.7403788 
       50    14910.685    571.71558            0      5265.82    32.006171 
@@ -162,7 +162,7 @@ Step Temp E_pair E_mol TotEng Press
     2450    16738.464 -0.0023259756            0     5269.514    14.510746 
     2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
     2550    16738.581 -0.044940117            0    5269.5085    14.510315 
-    2600    16738.427 -7.9722839e-05            0    5269.5046    14.510657 
+    2600    16738.427 -7.9722832e-05            0    5269.5046    14.510657 
     2650    16733.017     1.705148            0    5269.5067    14.596295 
     2700    16738.761  -0.10614946            0    5269.5038    14.499584 
     2750    16733.973    1.4038179            0    5269.5064    14.598107 
@@ -184,7 +184,7 @@ Step Temp E_pair E_mol TotEng Press
     3550    16713.405     7.846062            0    5269.4737    12.389816 
     3600    16734.939    1.0821936            0    5269.4891    12.173591 
     3650    16738.808  -0.13663194            0    5269.4882    12.027009 
-    3700    16738.602 -0.070934367            0    5269.4889    12.025288 
+    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
     3750    16737.731   0.20706557            0    5269.4927    12.061948 
     3800    16738.578  -0.05582043            0    5269.4965    12.035665 
     3850    16738.471 -0.016307928            0    5269.5024    12.035302 
@@ -280,7 +280,7 @@ Step Temp E_pair E_mol TotEng Press
     8350    16738.472            0            0    5269.5189    12.011723 
     8400    16738.472            0            0     5269.519     12.01172 
     8450    16738.473 -0.00039690663            0    5269.5189    12.011706 
-    8500    16738.481 -0.0034646802            0    5269.5182    12.011643 
+    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
     8550    16738.483 -0.0045307409            0    5269.5178    12.011621 
     8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
     8650    16738.474            0            0    5269.5197    12.011699 
@@ -301,37 +301,37 @@ Step Temp E_pair E_mol TotEng Press
     9400     16738.48            0            0    5269.5215    12.011732 
     9450     16738.48            0            0    5269.5216    12.011715 
     9500    16738.481 -0.00037652438            0    5269.5216    12.011692 
-    9550    16738.493 -0.0053156162            0    5269.5203    12.011611 
+    9550    16738.493 -0.0053156163            0    5269.5203    12.011611 
     9600    16738.549 -0.026814371            0    5269.5163    12.011415 
     9650    16738.765  -0.10191523            0    5269.5092    12.011013 
-    9700    16735.041    1.0589893            0    5269.4979    12.062708 
-    9750    16738.013   0.13550102            0    5269.5101    11.407246 
-    9800    16738.512 -0.011620328            0    5269.5201    11.394974 
-    9850    16738.489 -0.00067270521            0    5269.5237    11.395098 
-    9900    16738.489 -0.00024984561            0    5269.5242    11.395085 
+    9700    16735.041    1.0589894            0    5269.4979    12.062708 
+    9750    16738.013   0.13550109            0    5269.5101    11.407246 
+    9800    16738.512 -0.011620327            0    5269.5201    11.394974 
+    9850    16738.489 -0.00067270507            0    5269.5237    11.395098 
+    9900    16738.489 -0.00024984555            0    5269.5242    11.395085 
     9950     16738.49            0            0    5269.5245    11.395076 
    10000     16738.49            0            0    5269.5246    11.395075 
-Loop time of 0.140719 on 1 procs for 10000 steps with 81 atoms
+Loop time of 0.198069 on 4 procs for 10000 steps with 81 atoms
 
-Performance: 613990.898 tau/day, 71063.761 timesteps/s
-97.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 436211.675 tau/day, 50487.462 timesteps/s
+91.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.010882   | 0.010882   | 0.010882   |   0.0 |  7.73
-Neigh   | 0.037245   | 0.037245   | 0.037245   |   0.0 | 26.47
-Comm    | 0.0092154  | 0.0092154  | 0.0092154  |   0.0 |  6.55
-Output  | 0.0024879  | 0.0024879  | 0.0024879  |   0.0 |  1.77
-Modify  | 0.074702   | 0.074702   | 0.074702   |   0.0 | 53.09
-Other   |            | 0.006187   |            |       |  4.40
+Pair    | 0.0026007  | 0.0034987  | 0.0043218  |   1.0 |  1.77
+Neigh   | 0.012213   | 0.013261   | 0.014237   |   0.8 |  6.70
+Comm    | 0.073581   | 0.082048   | 0.087982   |   2.1 | 41.42
+Output  | 0.0047908  | 0.0058783  | 0.009093   |   2.4 |  2.97
+Modify  | 0.081998   | 0.086993   | 0.09176    |   1.4 | 43.92
+Other   |            | 0.00639    |            |       |  3.23
 
-Nlocal:    81 ave 81 max 81 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    84 ave 84 max 84 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Nlocal:    20.25 ave 38 max 3 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Nghost:    27.25 ave 48 max 13 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
 Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
+Histogram: 4 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 0
 Ave neighs/atom = 0
diff --git a/examples/rigid/log.27Nov18.rigid.tnr.g++.1 b/examples/rigid/log.27Nov18.rigid.tnr.g++.1
new file mode 100644
index 0000000000..bf29e0b94b
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.tnr.g++.1
@@ -0,0 +1,458 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Tethered nanorods
+
+atom_style	molecular
+
+read_data	data.rigid.tnr
+  orthogonal box = (-31.122 -31.122 -31.122) to (31.122 31.122 31.122)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  5600 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  1600 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+
+# Specify bond parameters
+
+bond_style	fene
+bond_coeff	1 30.0 1.5 1.0 1.0
+
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+
+# Specify initial velocities
+
+velocity	all create 1.4 109345
+
+# Specify rigid components
+
+group		rods type 2
+4000 atoms in group rods
+group		tethers	subtract all rods
+1600 atoms in group tethers
+
+neigh_modify 	exclude	molecule/intra rods delay 0 every 1
+
+# Specify the pair potentials
+
+pair_style	lj/cut	2.5
+pair_modify	shift	yes
+pair_coeff	* * 1.0	1.0 1.122
+pair_coeff	2 2 1.0 1.0 2.5
+
+# Specify output
+
+thermo	100
+thermo_style custom step temp pe etotal press enthalpy lx ly lz pxx pyy pzz
+thermo_modify flush yes lost warn
+
+timestep	0.005
+
+fix	1	rods	rigid molecule
+800 rigid bodies with 4000 atoms
+fix	2	tethers	nve
+fix	3	all	langevin 1.4 1.4 1.0 437624
+
+run	5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 45 45 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.769 | 7.769 | 7.769 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+       0    1.3963219    5.9478449    7.0445809  0.048565317      9.13595       62.244       62.244       62.244 0.0091983659   0.11850113  0.017996458 
+     100    1.3418512    5.9671777    7.0211299  0.025020362    8.0985822       62.244       62.244       62.244   0.02036076  0.038265078  0.016435248 
+     200    1.3730638    5.9750802    7.0535483 0.0053287535    7.2830205       62.244       62.244       62.244 -0.00054924195 0.0092396988 0.0072958036 
+     300     1.376262    5.9821642    7.0631443 0.0055536521    7.3023013       62.244       62.244       62.244 0.0033577704 0.0069111861 0.0063919998 
+     400    1.3782954    5.9983628      7.08094 0.0020507385     7.169251       62.244       62.244       62.244 -0.0060862717 0.0098998072 0.0023386801 
+     500     1.386863    6.0053312    7.0946377 -0.0009847031    7.0522334       62.244       62.244       62.244 -0.0038708372 0.0005697804 0.00034694745 
+     600    1.4069849    6.0035719    7.1086832 0.0047883912    7.3148858       62.244       62.244       62.244  0.001069365 0.0078059505 0.0054898581 
+     700    1.4423187    5.9982171    7.1310812  0.012141001    7.6539093       62.244       62.244       62.244 0.0094765272  0.011007593  0.015938883 
+     800    1.4303878    5.9968168    7.1203098 -0.00081349095    7.0852784       62.244       62.244       62.244 0.0011153812 0.00041597298 -0.0039718271 
+     900    1.4140538    5.9838168    7.0944803   0.00207609     7.183883       62.244       62.244       62.244 0.00043409671 0.0022778944 0.0035162788 
+    1000    1.3906567     5.988119    7.0804053 0.0022005856    7.1751692       62.244       62.244       62.244 0.0077268425 -0.0022042977 0.0010792119 
+    1100    1.3921992    5.9892203    7.0827181 0.0035041977    7.2336194       62.244       62.244       62.244 -0.0037576823 0.0040827951   0.01018748 
+    1200    1.3968803    5.9795846    7.0767592 -0.0031072146    6.9429532       62.244       62.244       62.244 -0.0077387449 0.0033056124 -0.0048885115 
+    1300    1.3755848    5.9739757    7.0544239 0.0092247106    7.4516677       62.244       62.244       62.244 0.0092788748  0.010737194 0.0076580625 
+    1400    1.3847985    5.9703631    7.0580481 0.0071703598    7.3668254       62.244       62.244       62.244 0.0080485848  0.012260474  0.001202021 
+    1500    1.4190051     5.956946    7.0714985 0.0035992903    7.2264948       62.244       62.244       62.244 -0.0055125437   0.01038369 0.0059267242 
+    1600    1.3980036    5.9671666    7.0652236 0.0061819851    7.3314385       62.244       62.244       62.244 0.0062429141 0.0035120077 0.0087910334 
+    1700    1.4276062    5.9610381    7.0823462  0.007832375    7.4196319       62.244       62.244       62.244 0.0083316819 0.0058394292  0.009326014 
+    1800    1.4112769    5.9630595    7.0715419 0.0068032101    7.3645087       62.244       62.244       62.244 0.0065502252 0.0062317255 0.0076276797 
+    1900    1.4276973    5.9489341    7.0703139  0.008397746    7.4319462       62.244       62.244       62.244    0.0148941 0.0032963108 0.0070028268 
+    2000    1.4056158    5.9564624    7.0604983 0.0090470732    7.4500926       62.244       62.244       62.244  0.011871718 0.0086681344 0.0066013673 
+    2100    1.3924778    5.9483611    7.0420778 0.0088893819    7.4248814       62.244       62.244       62.244  0.010247454 0.0097830093 0.0066376825 
+    2200    1.3760401    5.9435877    7.0243935 -0.0042972782    6.8393397       62.244       62.244       62.244 -0.0050064436 -0.0046216999 -0.0032636911 
+    2300    1.4191937    5.9334036    7.0481042 0.0047000032    7.2505006       62.244       62.244       62.244 0.0057709635 0.0044949165 0.0038341296 
+    2400    1.4213285    5.9472214    7.0635988  0.010197674    7.5027414       62.244       62.244       62.244  0.008373826 0.0090537939  0.013165402 
+    2500    1.4153808    5.9421661    7.0538718 0.00015906306    7.0607216       62.244       62.244       62.244  0.002351621 -0.0019814986 0.00010706677 
+    2600    1.4014223    5.9431386    7.0438807 0.0070733749    7.3484816       62.244       62.244       62.244 0.0054143871  0.010055843 0.0057498948 
+    2700    1.4138077    5.9369067     7.047377 0.0024268842    7.1518859       62.244       62.244       62.244 0.0052918436 0.0014960353 0.00049277371 
+    2800     1.432192    5.9347676    7.0596777 0.0077670448    7.3941501       62.244       62.244       62.244  0.012668421 0.0059113033 0.0047214106 
+    2900    1.3938659     5.921023      7.01583 0.0053751198    7.2472989       62.244       62.244       62.244 0.0020490372 0.0076566093  0.006419713 
+    3000     1.390221    5.9205014    7.0124455 -0.0010750977    6.9661485       62.244       62.244       62.244 0.0019519817 -0.0041878885 -0.00098938611 
+    3100    1.4205722    5.9178284    7.0336117 0.0098735475    7.4587965       62.244       62.244       62.244 0.0040973361  0.012167268  0.013356039 
+    3200     1.398418    5.9150349    7.0134173 0.0061541841    7.2784351       62.244       62.244       62.244 0.0067621815  0.011952563 -0.00025219251 
+    3300    1.4269859    5.9148727    7.0356937 0.0060623879    7.2967584       62.244       62.244       62.244  0.012956234 -2.4806661e-05 0.0052557362 
+    3400     1.434286    5.9356705    7.0622253 0.00027315892    7.0739884       62.244       62.244       62.244 -0.00054959866 0.0052526278 -0.0038835524 
+    3500    1.4416809    5.9228153    7.0551783 0.0083382977    7.4142506       62.244       62.244       62.244  0.007399393 0.0030328007  0.014582699 
+    3600    1.4136063    5.9039442    7.0142562 0.0019712004    7.0991421       62.244       62.244       62.244 -0.00032316149 0.0035029874 0.0027337752 
+    3700    1.4333819    5.9120101    7.0378548 0.0071287182    7.3448389       62.244       62.244       62.244 0.0064768218 0.0046765361  0.010232797 
+    3800    1.3659481    5.9032873    6.9761663 -0.0054033416    6.7434821       62.244       62.244       62.244 -0.0073943479 -0.0082831992 -0.00053247772 
+    3900    1.3963222    5.9042998    7.0010361 0.0053310264    7.2306062       62.244       62.244       62.244 0.0081855739 0.0048806019 0.0029269034 
+    4000    1.4125482    5.9060665    7.0155474 0.0028450296     7.138063       62.244       62.244       62.244 0.0052588294 0.00072395285 0.0025523065 
+    4100    1.3943951    5.9040875    6.9993102 0.0058050223    7.2492919       62.244       62.244       62.244 0.0060579697 0.0024782584 0.0088788387 
+    4200    1.4249768    5.8906371    7.0098801 0.0030210669    7.1399763       62.244       62.244       62.244  0.006174431 -0.002079586 0.0049683557 
+    4300    1.3899801    5.8966397    6.9883947 0.0057285402    7.2350829       62.244       62.244       62.244 0.0049048136 0.0021882328  0.010092574 
+    4400    1.4414352     5.898628    7.0307981 0.0050932552    7.2501291       62.244       62.244       62.244 0.0057941393 0.0037951842 0.0056904421 
+    4500    1.4092913    5.8922803    6.9992031 0.0012238869    7.0519073       62.244       62.244       62.244 0.0042907674 0.0014412643 -0.0020603711 
+    4600    1.3779868    5.8928757    6.9752105 0.0020701322    7.0643566       62.244       62.244       62.244 0.0029283254 -0.0031683908  0.006450462 
+    4700    1.4084635    5.9098782    7.0161508 -0.00052129502    6.9937023       62.244       62.244       62.244 -0.0018460523 -0.0018286314 0.0021107986 
+    4800    1.4393258    5.9148464    7.0453597  0.015311954    7.7047386       62.244       62.244       62.244  0.014718813   0.01801777  0.013199278 
+    4900    1.4500008    5.9076899    7.0465879 0.0075111779    7.3700419       62.244       62.244       62.244 0.0091865271 0.0080981174 0.0052488891 
+    5000    1.4279632    5.9111567    7.0327453 -0.0014189553    6.9716408       62.244       62.244       62.244 -0.0046013754 0.0019937576 -0.001649248 
+Loop time of 6.84203 on 1 procs for 5000 steps with 5600 atoms
+
+Performance: 315695.745 tau/day, 730.777 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.53182    | 0.53182    | 0.53182    |   0.0 |  7.77
+Bond    | 0.18231    | 0.18231    | 0.18231    |   0.0 |  2.66
+Neigh   | 1.8709     | 1.8709     | 1.8709     |   0.0 | 27.34
+Comm    | 0.18452    | 0.18452    | 0.18452    |   0.0 |  2.70
+Output  | 0.0043087  | 0.0043087  | 0.0043087  |   0.0 |  0.06
+Modify  | 3.8809     | 3.8809     | 3.8809     |   0.0 | 56.72
+Other   |            | 0.1873     |            |       |  2.74
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1351 ave 1351 max 1351 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5254 ave 5254 max 5254 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 5254
+Ave neighs/atom = 0.938214
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 766
+Dangerous builds = 0
+
+# Replace fix rigid and fix langevin with new ones
+
+unfix	1
+unfix	3
+
+fix	3	tethers langevin 1.4 1.4 1.0 198450
+
+# Test different integrators for rods
+
+fix	1 rods	rigid/nve molecule
+800 rigid bodies with 4000 atoms
+print 	"rigid/nve"
+rigid/nve
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    5000    1.4279632    5.9111567    7.0327453  0.027874409    8.2331015       62.244       62.244       62.244  0.018992956  0.039655696  0.024974575 
+    5100     1.439608    5.9052128    7.0359478 0.0060989863    7.2985885       62.244       62.244       62.244 0.0087364157  0.004022839 0.0055377041 
+    5200    1.4120672    5.9102569      7.01936 0.0064301432    7.2962614       62.244       62.244       62.244 0.0082738077 0.0038925667 0.0071240551 
+    5300    1.4452434    5.8842166    7.0193778  0.008172419    7.3713068       62.244       62.244       62.244 0.0077715647 0.0068924406 0.0098532518 
+    5400    1.4170243     5.887522    7.0005186 0.0008656658    7.0377968       62.244       62.244       62.244 -9.1800583e-05 -0.0020237513 0.0047125493 
+    5500    1.4209082    5.8758921    6.9919394 0.0093634084     7.395156       62.244       62.244       62.244 0.0088769348 0.0087092521  0.010504038 
+    5600    1.4132978    5.8798939    6.9899636 0.0014877766    7.0540317       62.244       62.244       62.244 -0.0023427923  0.004559371  0.002246751 
+    5700    1.4065053     5.887541    6.9922756 0.0028083452    7.1132114       62.244       62.244       62.244 0.0025188632  0.000510969 0.0053952035 
+    5800    1.4079051    5.8940739     6.999908 0.0015946158    7.0685769       62.244       62.244       62.244 0.0037830287 0.00021751956 0.00078329927 
+    5900    1.4076047    5.8941577    6.9997558  0.005189853    7.2232465       62.244       62.244       62.244 -0.00093244616 0.0096403542 0.0068616509 
+    6000    1.4322772    5.8903539    7.0153309 0.00029752476    7.0281432       62.244       62.244       62.244  0.001913333 -0.00073790796 -0.00028285075 
+Loop time of 1.40593 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 307270.224 tau/day, 711.274 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.14844    | 0.14844    | 0.14844    |   0.0 | 10.56
+Bond    | 0.036852   | 0.036852   | 0.036852   |   0.0 |  2.62
+Neigh   | 0.40537    | 0.40537    | 0.40537    |   0.0 | 28.83
+Comm    | 0.036592   | 0.036592   | 0.036592   |   0.0 |  2.60
+Output  | 0.00085831 | 0.00085831 | 0.00085831 |   0.0 |  0.06
+Modify  | 0.74053    | 0.74053    | 0.74053    |   0.0 | 52.67
+Other   |            | 0.03729    |            |       |  2.65
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1347 ave 1347 max 1347 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5399 ave 5399 max 5399 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 5399
+Ave neighs/atom = 0.964107
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 153
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nvt molecule temp 1.4 1.4 1.0
+800 rigid bodies with 4000 atoms
+print 	"rigid/nvt"
+rigid/nvt
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    6000    1.4322772    5.8903539    7.0153309  0.012980585     7.574314       62.244       62.244       62.244  0.058317363 0.0073619377 -0.026737547 
+    6100    1.4199699    5.8764035    6.9917138 0.0054065561    7.2245364       62.244       62.244       62.244  0.009227645 0.0019623802 0.0050296432 
+    6200    1.3976825    5.8924426    6.9902474 0.00043900876    7.0091524       62.244       62.244       62.244 -0.0023073124 -0.00049925318 0.0041235918 
+    6300    1.4077283    5.8847362    6.9904313 0.0066398301    7.2763625       62.244       62.244       62.244 0.0058018934 0.0091933877 0.0049242093 
+    6400    1.3749203    5.8817073    6.9616336 0.0074967162    7.2844648       62.244       62.244       62.244  0.012281887 0.0039781589 0.0062301027 
+    6500    1.3467096    5.8881264    6.9458946 -0.00011926349    6.9407588       62.244       62.244       62.244 0.0030721967 -0.0013265863 -0.0021034009 
+    6600    1.3646558    5.8739857    6.9458497 0.0056064043    7.1872784       62.244       62.244       62.244 0.0059660337 0.0057680048 0.0050851745 
+    6700    1.3927251     5.883612    6.9775229 0.0025583824    7.0876946       62.244       62.244       62.244 0.0030974706 0.0018499606  0.002727716 
+    6800    1.4016999    5.9015886    7.0025488 0.0039070678    7.1707989       62.244       62.244       62.244 0.0068320586 0.0020056859  0.002883459 
+    6900    1.4136745    5.8914714     7.001837 0.0051755091      7.22471       62.244       62.244       62.244 0.0028467792 0.0094052519 0.0032744962 
+    7000    1.4286639     5.893567    7.0157059 0.0062957476    7.2868198       62.244       62.244       62.244 0.0047242086 0.0093408867 0.0048221474 
+Loop time of 1.41045 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 306284.404 tau/day, 708.992 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.1497     | 0.1497     | 0.1497     |   0.0 | 10.61
+Bond    | 0.036719   | 0.036719   | 0.036719   |   0.0 |  2.60
+Neigh   | 0.40272    | 0.40272    | 0.40272    |   0.0 | 28.55
+Comm    | 0.036315   | 0.036315   | 0.036315   |   0.0 |  2.57
+Output  | 0.00085187 | 0.00085187 | 0.00085187 |   0.0 |  0.06
+Modify  | 0.747      | 0.747      | 0.747      |   0.0 | 52.96
+Other   |            | 0.03715    |            |       |  2.63
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1284 ave 1284 max 1284 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5677 ave 5677 max 5677 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 5677
+Ave neighs/atom = 1.01375
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 151
+Dangerous builds = 0
+unfix	1
+
+compute	myTemp all temp
+
+fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 iso 0.05 0.05 1.0         dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/npt iso"
+rigid/npt iso
+fix_modify 1 temp myTemp
+
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.77 | 7.77 | 7.77 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    7000    1.4286639     5.893567    7.0157059  0.032101512    8.3980939       62.244       62.244       62.244 0.0040045405  0.040447803  0.051852194 
+    7100    1.4709161    5.8870949    7.0424207  0.019697134    7.6953761    57.045689    57.045689    57.045689  0.012929484  0.020492532  0.025669387 
+    7200    1.5163078    5.8421187    7.0330973  0.018916867      7.46241    50.277171    50.277171    50.277171  0.017823354  0.026688031  0.012239218 
+    7300    1.5675309    5.7752739    7.0064855  0.022899743    7.3829781    45.154874    45.154874    45.154874  0.019324617  0.024318577  0.025056034 
+    7400    1.5432228    5.7513096    6.9634284  0.024381819     7.272744    41.416613    41.416613    41.416613  0.032026791  0.022254425  0.018864241 
+    7500    1.5511419    5.7072564    6.9255953  0.030632381    7.2405167    38.613262    38.613262    38.613262  0.041572196  0.012539031  0.037785916 
+    7600    1.5437461    5.6656571    6.8781869  0.031293788    7.1486082    36.440994    36.440994    36.440994  0.036220762   0.02125772  0.036402883 
+    7700    1.5873874    5.6134986    6.8603063   0.04807003     7.221002    34.765744    34.765744    34.765744  0.031608235  0.053442472  0.059159381 
+    7800    1.5079648     5.601961    6.7863866  0.031128515    6.9971673     33.59594     33.59594     33.59594  0.032932226  0.015950578  0.044502741 
+    7900    1.4737447    5.5644198    6.7219673  0.099246661    7.3415696    32.698542    32.698542    32.698542  0.071386679   0.10758014   0.11877317 
+    8000    1.4727947    5.5161158    6.6729171  0.072190554    7.0973199    32.050043    32.050043    32.050043  0.072806068   0.06277287  0.080992723 
+Loop time of 3.15299 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 137012.841 tau/day, 317.159 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.37069    | 0.37069    | 0.37069    |   0.0 | 11.76
+Bond    | 0.05046    | 0.05046    | 0.05046    |   0.0 |  1.60
+Neigh   | 1.4844     | 1.4844     | 1.4844     |   0.0 | 47.08
+Comm    | 0.081178   | 0.081178   | 0.081178   |   0.0 |  2.57
+Output  | 0.00083494 | 0.00083494 | 0.00083494 |   0.0 |  0.03
+Modify  | 1.1163     | 1.1163     | 1.1163     |   0.0 | 35.41
+Other   |            | 0.0491     |            |       |  1.56
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    2954 ave 2954 max 2954 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    25585 ave 25585 max 25585 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 25585
+Ave neighs/atom = 4.56875
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 334
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 x 0.05 0.05 1.0 dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/npt x"
+rigid/npt x
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.785 | 7.785 | 7.785 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    8000    1.4727947    5.5161158    6.6729171   0.13628586    7.4741313    32.050043    32.050043    32.050043 -0.030897367   0.27196335    0.1677916 
+    8100    1.4522497    5.5136331    6.6542974  0.057107124    6.9895036    32.000184    32.050043    32.050043  0.049932793  0.056130194  0.065258384 
+    8200    1.4407937    5.5014539    6.6331202  0.024119241    6.7733276    31.691157    32.050043    32.050043  0.041526366  0.022503949 0.0083274089 
+    8300    1.4542258     5.496977    6.6391934  0.043395674     6.887667    31.215092    32.050043    32.050043  0.025407647  0.075227689  0.029551686 
+    8400    1.4375595    5.4901345    6.6192605  0.013578023    6.6952098    30.494249    32.050043    32.050043 -0.0045150608  0.033500673  0.011748456 
+    8500    1.4410736    5.4540565    6.5859426  0.017121222     6.679397    29.757445    32.050043    32.050043  0.035675932    -0.032105  0.047792733 
+    8600    1.4372413    5.4150437    6.5439197  0.084045699    6.9949237    29.254706    32.050043    32.050043   0.10347392  0.073148157  0.075515024 
+    8700    1.4299119    5.3982284    6.5213476 0.00045273296    6.5237411    28.822481    32.050043    32.050043 0.0093093459 0.0081538479 -0.016104995 
+    8800    1.4677947    5.3637715    6.5166456  0.028621833    6.6651924    28.294159    32.050043    32.050043  0.033527613  0.036046563  0.016291323 
+    8900    1.4625499    5.3483914    6.4971459  0.032843022    6.6649394    27.852402    32.050043    32.050043  0.040751528  0.055865445 0.0019120942 
+    9000    1.4488382    5.3486741    6.4866589  0.087522574    6.9279711    27.488856    32.050043    32.050043  0.059432129   0.10936517  0.093770421 
+Loop time of 3.09429 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 139611.779 tau/day, 323.175 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.57714    | 0.57714    | 0.57714    |   0.0 | 18.65
+Bond    | 0.051715   | 0.051715   | 0.051715   |   0.0 |  1.67
+Neigh   | 1.223      | 1.223      | 1.223      |   0.0 | 39.52
+Comm    | 0.066183   | 0.066183   | 0.066183   |   0.0 |  2.14
+Output  | 0.00086594 | 0.00086594 | 0.00086594 |   0.0 |  0.03
+Modify  | 1.1355     | 1.1355     | 1.1355     |   0.0 | 36.70
+Other   |            | 0.03994    |            |       |  1.29
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    3381 ave 3381 max 3381 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    31737 ave 31737 max 31737 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 31737
+Ave neighs/atom = 5.66732
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 169
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nph molecule iso 0.05 0.05 1.0 dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/nph iso"
+rigid/nph iso
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.788 | 7.788 | 7.788 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    9000    1.4488382    5.3486741    6.4866589   0.20124138    7.5013717    27.488856    32.050043    32.050043   0.22160189   0.42145658 -0.039334342 
+    9100    1.4408457    5.3612674    6.4929746  0.076331412    6.8758499    27.440968    31.994208    31.994208  0.083838068  0.041724506   0.10343166 
+    9200    1.4870445    5.3340546    6.5020483   0.01010773    6.5521592    27.334266    31.869802    31.869802  0.024563803 -0.0068003493  0.012559737 
+    9300    1.4376808    5.3295183    6.4587396   0.10720051    6.9752889    27.076116    31.568817    31.568817   0.11844426   0.10444301   0.09871425 
+    9400    1.4621325    5.3011274    6.4495541  0.071127232    6.7846388    26.873295    31.332342    31.332342  0.091608834   0.02680694  0.094965923 
+    9500    1.4463444    5.3005044    6.4365304 0.0011545049    6.4418432       26.664    31.088319    31.088319 -0.030551889  0.036011952 -0.0019965484 
+    9600    1.4473406    5.2912939    6.4281024  0.066132857    6.7281169    26.537276    30.940568    30.940568   0.12276096  0.013455525   0.06218208 
+    9700    1.4520445    5.2707214    6.4112246  0.077219765     6.757956    26.446587    30.834832    30.834832  0.073829267   0.11047347  0.047356559 
+    9800    1.4825713     5.246644    6.4111243  0.061402527    6.6831281    26.327581    30.696078    30.696078  0.091860222  0.022619578   0.06972778 
+    9900    1.4795219    5.2344495    6.3965347  0.086345107    6.7729623    26.187615    30.532888    30.532888  0.077396265   0.11142542   0.07021363 
+   10000    1.4527053    5.2126819    6.3537041  0.045117764    6.5474705    26.057038    30.380645    30.380645  0.011087188  0.058029185  0.066236921 
+Loop time of 3.25046 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 132904.162 tau/day, 307.649 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.68223    | 0.68223    | 0.68223    |   0.0 | 20.99
+Bond    | 0.05211    | 0.05211    | 0.05211    |   0.0 |  1.60
+Neigh   | 1.2617     | 1.2617     | 1.2617     |   0.0 | 38.82
+Comm    | 0.069407   | 0.069407   | 0.069407   |   0.0 |  2.14
+Output  | 0.00085688 | 0.00085688 | 0.00085688 |   0.0 |  0.03
+Modify  | 1.1438     | 1.1438     | 1.1438     |   0.0 | 35.19
+Other   |            | 0.04037    |            |       |  1.24
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    3756 ave 3756 max 3756 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    37360 ave 37360 max 37360 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 37360
+Ave neighs/atom = 6.67143
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 158
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nph molecule x 0.05 0.05 1.0 y 0.05 0.05 1.0         couple xy dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/nph xy couple"
+rigid/nph xy couple
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.795 | 7.795 | 7.795 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+   10000    1.4527053    5.2126819    6.3537041  0.056937886    6.5982342    26.057038    30.380645    30.380645  -0.37001102   0.18554825   0.35527643 
+   10100    1.4606958    5.2220088    6.3693071   0.10308269    6.8132489    26.093341    30.422971    30.380645   0.12567436  0.057087258   0.12648646 
+   10200    1.4429187    5.2134399    6.3467753  0.022637194    6.4450326    26.195743    30.542365    30.380645  0.010739012  0.071921542 -0.014748971 
+   10300    1.4559104    5.2293511    6.3728908 0.0079467818    6.4073504    26.182966    30.527467    30.380645 -0.014274944  0.032205181 0.0059101087 
+   10400    1.4741126    5.2072221    6.3650586  0.095611559    6.7814715    26.240156    30.594148    30.380645  0.073579289  0.092441893   0.12081349 
+   10500    1.4411698    5.2173262    6.3492878  0.010458046    6.3947259    26.208633    30.557393    30.380645  0.036794882 -0.0051462954 -0.00027444949 
+   10600    1.4492728    5.1940541    6.3323802  0.042602534    6.5163992    26.132032    30.468083    30.380645  0.090116773 0.0022769844  0.035413845 
+   10700    1.4599974    5.1895935    6.3363432   0.05533717     6.573197    26.013045    30.329352    30.380645  0.070180878   0.08084881  0.014981824 
+   10800    1.4781084    5.1724704    6.3334454  0.031843587    6.4690539    25.947295    30.252692    30.380645 0.0041524129  0.077618702  0.013759645 
+   10900    1.4410507    5.1708846    6.3027527  0.020221033    6.3881531    25.839719    30.127267    30.380645 -0.0014092876  0.014833141  0.047239245 
+   11000    1.4150286    5.1756927    6.2871219  0.039768792      6.45242     25.63435    29.887821    30.380645  0.034930907  0.032278926  0.052096542 
+Loop time of 3.43774 on 1 procs for 1000 steps with 5600 atoms
+
+Performance: 125663.855 tau/day, 290.889 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.75066    | 0.75066    | 0.75066    |   0.0 | 21.84
+Bond    | 0.053177   | 0.053177   | 0.053177   |   0.0 |  1.55
+Neigh   | 1.3577     | 1.3577     | 1.3577     |   0.0 | 39.49
+Comm    | 0.07294    | 0.07294    | 0.07294    |   0.0 |  2.12
+Output  | 0.00086403 | 0.00086403 | 0.00086403 |   0.0 |  0.03
+Modify  | 1.1612     | 1.1612     | 1.1612     |   0.0 | 33.78
+Other   |            | 0.0412     |            |       |  1.20
+
+Nlocal:    5600 ave 5600 max 5600 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    3904 ave 3904 max 3904 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    39666 ave 39666 max 39666 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 39666
+Ave neighs/atom = 7.08321
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 159
+Dangerous builds = 0
+
+Total wall time: 0:00:22
diff --git a/examples/rigid/log.27Nov18.rigid.tnr.g++.4 b/examples/rigid/log.27Nov18.rigid.tnr.g++.4
new file mode 100644
index 0000000000..1fa53eb8d3
--- /dev/null
+++ b/examples/rigid/log.27Nov18.rigid.tnr.g++.4
@@ -0,0 +1,458 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Tethered nanorods
+
+atom_style	molecular
+
+read_data	data.rigid.tnr
+  orthogonal box = (-31.122 -31.122 -31.122) to (31.122 31.122 31.122)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  5600 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  reading bonds ...
+  1600 bonds
+  2 = max # of 1-2 neighbors
+  1 = max # of 1-3 neighbors
+  1 = max # of 1-4 neighbors
+  2 = max # of special neighbors
+
+# Specify bond parameters
+
+bond_style	fene
+bond_coeff	1 30.0 1.5 1.0 1.0
+
+special_bonds	fene
+  2 = max # of 1-2 neighbors
+  2 = max # of special neighbors
+
+# Specify initial velocities
+
+velocity	all create 1.4 109345
+
+# Specify rigid components
+
+group		rods type 2
+4000 atoms in group rods
+group		tethers	subtract all rods
+1600 atoms in group tethers
+
+neigh_modify 	exclude	molecule/intra rods delay 0 every 1
+
+# Specify the pair potentials
+
+pair_style	lj/cut	2.5
+pair_modify	shift	yes
+pair_coeff	* * 1.0	1.0 1.122
+pair_coeff	2 2 1.0 1.0 2.5
+
+# Specify output
+
+thermo	100
+thermo_style custom step temp pe etotal press enthalpy lx ly lz pxx pyy pzz
+thermo_modify flush yes lost warn
+
+timestep	0.005
+
+fix	1	rods	rigid molecule
+800 rigid bodies with 4000 atoms
+fix	2	tethers	nve
+fix	3	all	langevin 1.4 1.4 1.0 437624
+
+run	5000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 45 45 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 7.216 | 7.384 | 7.552 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+       0    1.3963219    5.9478449    7.0445809  0.048565317      9.13595       62.244       62.244       62.244 0.0091983659   0.11850113  0.017996458 
+     100    1.3999025    5.9707695    7.0703179  0.027293074      8.24564       62.244       62.244       62.244  0.017246307   0.04732529  0.017307624 
+     200    1.4245544    5.9878446    7.1067558 0.0072016369      7.41688       62.244       62.244       62.244 0.0071370801 0.0084066589 0.0060611719 
+     300    1.4212057    5.9942604    7.1105414 0.0023296933     7.210865       62.244       62.244       62.244 -0.0059197015 0.0040269953  0.008881786 
+     400    1.4030116    5.9953214    7.0973119 0.0055751834    7.3373961       62.244       62.244       62.244 -0.0026920847  0.013323321 0.0060943141 
+     500    1.4201338    5.9984777    7.1139168 -0.0018229523     7.035415       62.244       62.244       62.244 -0.0082217102 -0.00047319975 0.0032260529 
+     600     1.425173    5.9902537    7.1096508  0.013367744    7.6853062       62.244       62.244       62.244  0.012971415  0.016298595  0.010833222 
+     700    1.4181225    5.9840752    7.0979345 0.0014999758    7.1625279       62.244       62.244       62.244 -0.0015835387 0.0045967753 0.0014866907 
+     800    1.4084205    5.9778462     7.084085 0.0063728488    7.3585191       62.244       62.244       62.244 0.0036202744  0.005593586 0.0099046859 
+     900    1.3958301    5.9891019    7.0854517 0.0028974454    7.2102244       62.244       62.244       62.244 0.0087724642 0.0014508428 -0.001530971 
+    1000    1.3937374    5.9794855    7.0741916 0.0087158481    7.4495223       62.244       62.244       62.244  0.014424783 0.0034958881 0.0082268735 
+    1100    1.3729162    5.9916252    7.0699773 0.0030451966    7.2011127       62.244       62.244       62.244 0.00084635444 -0.00064448421 0.0089337195 
+    1200    1.4427374    5.9713589    7.1045519 0.0042680608    7.2883474       62.244       62.244       62.244 0.0030884628 0.0031576538 0.0065580658 
+    1300    1.3971469    5.9728674    7.0702514 0.0022809251     7.168475       62.244       62.244       62.244 0.00060902513 -0.00020572386  0.006439474 
+    1400    1.4194118    5.9672631     7.082135  0.012945844    7.6396221       62.244       62.244       62.244 0.0082418827  0.016256336  0.014339314 
+    1500    1.3866472    5.9728382    7.0619753 0.0010642438    7.1078049       62.244       62.244       62.244 0.0020316123 0.0020439035 -0.00088278432 
+    1600    1.4184955    5.9539591    7.0681113 0.0077605409    7.4023036       62.244       62.244       62.244 0.0033721722 0.0057827512  0.014126699 
+    1700    1.3612202    5.9676733    7.0368389 0.00016862131    7.0441002       62.244       62.244       62.244 0.0052525345 0.0007705269 -0.0055171975 
+    1800    1.3641041    5.9521837    7.0236144 0.0057884587    7.2728829       62.244       62.244       62.244 0.0038061044 0.0044032908  0.009155981 
+    1900    1.3594477    5.9646024    7.0323757 0.0044261926    7.2229809       62.244       62.244       62.244 0.0019417448  0.006871542  0.004465291 
+    2000    1.3776971    5.9431816    7.0252888 -0.0012460593    6.9716298       62.244       62.244       62.244 -0.0010913822 0.00098119436 -0.0036279901 
+    2100    1.3986245    5.9509735    7.0495181  0.007520633    7.3733792       62.244       62.244       62.244  0.008359824 0.0075919773 0.0066100978 
+    2200    1.4033594    5.9548158    7.0570794 0.0016804284    7.1294438       62.244       62.244       62.244 -0.001842641 0.0032876741 0.0035962521 
+    2300    1.4048926    5.9444129    7.0478808 0.0062444034    7.3167836       62.244       62.244       62.244  0.004383569 0.0065720464  0.007777595 
+    2400    1.4044043    5.9370822    7.0401666 0.0034562836    7.1890046       62.244       62.244       62.244 0.0068959298 0.0041111713 -0.00063825026 
+    2500    1.4200762    5.9359254    7.0513193 0.0028319649    7.1732722       62.244       62.244       62.244 -0.00030414203 0.0039571831 0.0048428538 
+    2600    1.3876469    5.9249124    7.0148347 -0.0017777224    6.9382806       62.244       62.244       62.244 -0.00047616392 -0.0025484917 -0.0023085116 
+    2700    1.4099941     5.916763    7.0242378 0.0070716263    7.3287634       62.244       62.244       62.244  0.012628756 0.0053812867 0.0032048359 
+    2800    1.4444643    5.9283432    7.0628925 0.0019400024    7.1464349       62.244       62.244       62.244 0.0014895079 0.0046367397 -0.00030624055 
+    2900    1.3902832    5.9152516    7.0072446 -0.002166221    6.9139606       62.244       62.244       62.244 -0.0012374412 -0.00056403267 -0.004697189 
+    3000    1.3711706     5.922146    6.9991271  0.011101505    7.4771914       62.244       62.244       62.244  0.011063833  0.012093026  0.010147657 
+    3100    1.3569137    5.9171753    6.9829583 -0.002826677    6.8612331       62.244       62.244       62.244 -0.0069507252 0.0010084399 -0.0025377458 
+    3200    1.4004275     5.905939    7.0058998  0.005439467    7.2401397       62.244       62.244       62.244  0.010352184 0.0057594148 0.00020680265 
+    3300    1.3641217    5.9145275     6.985972 -0.0027212811    6.8687855       62.244       62.244       62.244 -0.00065933677 -0.0057713008 -0.0017332057 
+    3400    1.3868722    5.9059546    6.9952684 0.0092591256    7.3939943       62.244       62.244       62.244  0.010690877  0.010752519  0.006333981 
+    3500    1.3939169    5.8992292    6.9940762 0.0074340028    7.3142068       62.244       62.244       62.244  0.010137307 0.0044252569 0.0077394447 
+    3600    1.3982507    5.9219461    7.0201971  0.005679459    7.2647718       62.244       62.244       62.244 0.0023367243  0.008059221 0.0066424317 
+    3700    1.4019908    5.9059957    7.0071843 0.0065915477    7.2910363       62.244       62.244       62.244 0.0049554109  0.010827005 0.0039922268 
+    3800    1.3960736     5.902079      6.99862 0.0027763588    7.1181784       62.244       62.244       62.244 -0.0015907217 0.0025862003 0.0073335977 
+    3900    1.4352825    5.8986215     7.025959  0.003498268     7.176605       62.244       62.244       62.244 0.0030416681 0.0027739509 0.0046791851 
+    4000    1.4121845     5.907903    7.0170983  0.005046232    7.2344043       62.244       62.244       62.244 0.0045542682 0.0064113499 0.0041730779 
+    4100    1.3989578    5.9082397    7.0070461 0.00042880001    7.0255115       62.244       62.244       62.244 0.0025735184 0.0025181486 -0.003805267 
+    4200    1.3998829    5.8998147    6.9993477 0.0042777376      7.18356       62.244       62.244       62.244 0.0013744091   0.00646996 0.0049888436 
+    4300    1.4076022    5.9044509     7.010047 0.0066789366    7.2976622       62.244       62.244       62.244 0.0073610616 0.0048139129 0.0078618353 
+    4400    1.4161075    5.9064331    7.0187096 -0.0011844267    6.9677046       62.244       62.244       62.244 -0.0019088313 -0.0037556503 0.0021112015 
+    4500    1.4292243    5.8980093    7.0205884 0.0018500416    7.1002567       62.244       62.244       62.244 0.0041144085 0.0010160497 0.00041966655 
+    4600    1.3958775    5.8943133    6.9907003 0.0041485723    7.1693504       62.244       62.244       62.244 0.0033999287 0.0041620406 0.0048837475 
+    4700    1.3856614    5.8886847    6.9770475 0.0013150314    7.0336767       62.244       62.244       62.244 -0.00051753674 0.0030875481 0.0013750828 
+    4800     1.401683    5.9023505    7.0032974  0.002504877    7.1111649       62.244       62.244       62.244 0.0016543718 -0.0001813413 0.0060416007 
+    4900     1.446628    5.9050553    7.0413042 -0.0026645902    6.9265589       62.244       62.244       62.244 -0.00069368076 -0.0073984763 9.8386402e-05 
+    5000    1.4387091    5.9077604    7.0377893 0.0049468048    7.2508137       62.244       62.244       62.244 0.0042902506 0.0046715523 0.0058786114 
+Loop time of 3.70354 on 4 procs for 5000 steps with 5600 atoms
+
+Performance: 583225.455 tau/day, 1350.059 timesteps/s
+92.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.081073   | 0.13498    | 0.20108    |  14.4 |  3.64
+Bond    | 0.032352   | 0.048566   | 0.066671   |   7.0 |  1.31
+Neigh   | 0.71345    | 0.72477    | 0.73658    |   1.3 | 19.57
+Comm    | 0.29998    | 0.37027    | 0.42722    |   8.9 | 10.00
+Output  | 0.0026417  | 0.0048325  | 0.0085185  |   3.2 |  0.13
+Modify  | 1.9807     | 2.1035     | 2.263      |   8.1 | 56.80
+Other   |            | 0.3166     |            |       |  8.55
+
+Nlocal:    1400 ave 1868 max 905 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Nghost:    648.25 ave 688 max 598 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    1202.5 ave 1821 max 698 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 4810
+Ave neighs/atom = 0.858929
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 759
+Dangerous builds = 0
+
+# Replace fix rigid and fix langevin with new ones
+
+unfix	1
+unfix	3
+
+fix	3	tethers langevin 1.4 1.4 1.0 198450
+
+# Test different integrators for rods
+
+fix	1 rods	rigid/nve molecule
+800 rigid bodies with 4000 atoms
+print 	"rigid/nve"
+rigid/nve
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    5000    1.4387091    5.9077604    7.0377893 0.0035977871    7.1927209       62.244       62.244       62.244  0.025518192 -0.016769871 0.0020450407 
+    5100    1.4449405    5.8876257     7.022549 0.0023104502     7.122044       62.244       62.244       62.244 0.0045960664 0.0036845954 -0.0013493113 
+    5200    1.4271652    5.9160022     7.036964 0.0020238904    7.1241189       62.244       62.244       62.244 -0.0022546188   0.00392213 0.0044041599 
+    5300    1.4143299    5.9052666     7.016147 0.0064054214    7.2919838       62.244       62.244       62.244 0.0090997079 0.0026363579 0.0074801984 
+    5400    1.4426441    5.9087558    7.0418754 0.0020465683    7.1300068       62.244       62.244       62.244 0.0043188307 3.0314417e-06 0.0018178427 
+    5500    1.4281065    5.9038871    7.0255883 0.00058665945    7.0508516       62.244       62.244       62.244  0.005898925 0.00066013177 -0.0047990784 
+    5600    1.4315628     5.902373    7.0267888 0.0096475978    7.4422435       62.244       62.244       62.244 0.0054175405  0.011780025  0.011745228 
+    5700    1.4075482    5.9075587    7.0131124 0.0052150708    7.2376891       62.244       62.244       62.244 0.0030069124 0.0036690785 0.0089692215 
+    5800    1.4215681    5.9048555    7.0214211 0.0015070444     7.086319       62.244       62.244       62.244 -5.6858344e-05 0.0023644208 0.0022135708 
+    5900    1.3992461    5.8949367    6.9939696 0.0062425817     7.262794       62.244       62.244       62.244 0.0056972212 0.0095293238 0.0035012003 
+    6000     1.385289    5.8972105    6.9852808 0.0043255163    7.1715506       62.244       62.244       62.244 0.0040215567 0.0026330714 0.0063219208 
+Loop time of 0.84847 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 509151.820 tau/day, 1178.592 timesteps/s
+94.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.020741   | 0.03547    | 0.053064   |   7.5 |  4.18
+Bond    | 0.0064373  | 0.0096895  | 0.013065   |   3.0 |  1.14
+Neigh   | 0.14992    | 0.15174    | 0.15392    |   0.4 | 17.88
+Comm    | 0.068751   | 0.081259   | 0.10084    |   4.2 |  9.58
+Output  | 0.00054288 | 0.00096381 | 0.0017593  |   0.0 |  0.11
+Modify  | 0.45914    | 0.48587    | 0.51316    |   2.8 | 57.26
+Other   |            | 0.08348    |            |       |  9.84
+
+Nlocal:    1400 ave 1868 max 935 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    633.75 ave 695 max 541 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    1263 ave 1799 max 710 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 5052
+Ave neighs/atom = 0.902143
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 153
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nvt molecule temp 1.4 1.4 1.0
+800 rigid bodies with 4000 atoms
+print 	"rigid/nvt"
+rigid/nvt
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    6000     1.385289    5.8972105    6.9852808 0.0029190017    7.1109818       62.244       62.244       62.244  0.026575922 -0.075631452  0.057812535 
+    6100    1.3829575    5.9055308    6.9917699 0.0022904842     7.090405       62.244       62.244       62.244 -0.00045870123 0.0040556461 0.0032745076 
+    6200    1.3942692      5.90506    7.0001838 0.0046406766    7.2000253       62.244       62.244       62.244 0.0042263485 0.0051632793 0.0045324021 
+    6300    1.4009885     5.902399    7.0028005 0.0077682466    7.3373246       62.244       62.244       62.244 0.0071636876 0.0098268446 0.0063142075 
+    6400    1.3627532    5.9075588    6.9779284 0.0093180831    7.3791932       62.244       62.244       62.244 0.0062401458   0.01302262 0.0086914833 
+    6500    1.3341203    5.9012967    6.9491767   0.01010805    7.3844599       62.244       62.244       62.244 0.0031876185  0.011099561   0.01603697 
+    6600    1.3572847    5.8915298    6.9576042 -0.00034416901    6.9427833       62.244       62.244       62.244 0.0025579012 -0.0011308802 -0.0024595281 
+    6700     1.366374    5.8985277    6.9717413 0.0029472772    7.0986599       62.244       62.244       62.244 0.0022469424 -0.00042869772 0.0070235868 
+    6800     1.381673    5.8909304    6.9761606 -9.1063397e-05    6.9722391       62.244       62.244       62.244 -0.0048194377 -0.00080972169 0.0053559692 
+    6900    1.4011472    5.8881927    6.9887188 0.0010086058    7.0321524       62.244       62.244       62.244 0.0012132619 -0.0025916747 0.0044042301 
+    7000    1.3973658    5.8867938    6.9843498 0.0070015187    7.2858563       62.244       62.244       62.244 0.0058913402 0.0076802028 0.0074330131 
+Loop time of 0.902266 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 478794.425 tau/day, 1108.320 timesteps/s
+92.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.022644   | 0.037091   | 0.054025   |   7.4 |  4.11
+Bond    | 0.0066526  | 0.0098482  | 0.012934   |   2.8 |  1.09
+Neigh   | 0.15815    | 0.16028    | 0.16242    |   0.5 | 17.76
+Comm    | 0.086046   | 0.10069    | 0.11568    |   3.7 | 11.16
+Output  | 0.00047731 | 0.00090772 | 0.0016732  |   0.0 |  0.10
+Modify  | 0.46692    | 0.49338    | 0.52973    |   3.5 | 54.68
+Other   |            | 0.1001     |            |       | 11.09
+
+Nlocal:    1400 ave 1832 max 970 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    652.5 ave 749 max 561 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Neighs:    1407.5 ave 2071 max 748 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 5630
+Ave neighs/atom = 1.00536
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 149
+Dangerous builds = 0
+unfix	1
+
+compute	myTemp all temp
+
+fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 iso 0.05 0.05 1.0         dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/npt iso"
+rigid/npt iso
+fix_modify 1 temp myTemp
+
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.217 | 7.395 | 7.573 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    7000    1.3973658    5.8867938    6.9843498 0.0026564535    7.0987447       62.244       62.244       62.244  0.033711862 -0.0068580786 -0.018884423 
+    7100     1.463906     5.861189    7.0110088  0.011521299    7.3924648    57.022165    57.022165    57.022165  0.010788399 0.0093706759  0.014404821 
+    7200    1.4950346     5.817724    6.9919936  0.023104537     7.516484     50.28164     50.28164     50.28164  0.023252537  0.018108267  0.027952807 
+    7300    1.5103539    5.7757334    6.9620355   0.02265972    7.3367664    45.242961    45.242961    45.242961  0.023588139  0.022279352  0.022111669 
+    7400    1.5583184    5.7576833    6.9816589  0.028383162    7.3460731    41.582206    41.582206    41.582206  0.027312172  0.029876235  0.027961079 
+    7500    1.5988886    5.6930714    6.9489127  0.046500933    7.4415595     39.00204     39.00204     39.00204  0.057497139  0.031007247  0.050998413 
+    7600    1.5458926    5.6844397    6.8986555  0.034168406    7.2068206     36.96428     36.96428     36.96428  0.037874991  0.027247969  0.037382258 
+    7700    1.5179913    5.6416448    6.8339457  0.070322183    7.3856048    35.284894    35.284894    35.284894  0.054248771   0.10402305  0.052694729 
+    7800    1.4797888    5.6045532    6.7668481   0.07801402    7.3126319    33.963465    33.963465    33.963465  0.096058241  0.061172194  0.076811627 
+    7900    1.4846305      5.54982    6.7159177  0.065303374    7.1325712    32.936376    32.936376    32.936376  0.089117046   0.06069295  0.046100127 
+    8000    1.4352665    5.5157472    6.6430722  0.065962965    7.0326574    32.099391    32.099391    32.099391  0.032126133  0.070109418  0.095653344 
+Loop time of 1.72334 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 250675.661 tau/day, 580.268 timesteps/s
+92.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.060282   | 0.099801   | 0.13824    |  10.8 |  5.79
+Bond    | 0.0095227  | 0.013491   | 0.017217   |   3.2 |  0.78
+Neigh   | 0.58793    | 0.59546    | 0.60654    |   1.0 | 34.55
+Comm    | 0.17903    | 0.21403    | 0.24615    |   6.5 | 12.42
+Output  | 0.00045562 | 0.00076783 | 0.0017018  |   0.0 |  0.04
+Modify  | 0.64959    | 0.68513    | 0.70671    |   2.8 | 39.76
+Other   |            | 0.1147     |            |       |  6.65
+
+Nlocal:    1400 ave 1768 max 981 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Nghost:    1574 ave 1663 max 1447 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+Neighs:    6338 ave 9521 max 3068 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+
+Total # of neighbors = 25352
+Ave neighs/atom = 4.52714
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 337
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/npt molecule temp 1.4 1.4 1.0 x 0.05 0.05 1.0 dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/npt x"
+rigid/npt x
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.226 | 7.412 | 7.597 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    8000    1.4352665    5.5157472    6.6430722  0.073641793    7.0780095    32.099391    32.099391    32.099391   0.13359913   0.13991003 -0.052583787 
+    8100    1.4385682    5.5149882    6.6449064  0.092621097    7.1894426    31.952972    32.099391    32.099391   0.10729401   0.11619987  0.054369411 
+    8200      1.42735    5.5149024    6.6360094  0.023903894    6.7756304    31.745099    32.099391    32.099391  0.051524189  0.013370811  0.006816681 
+    8300    1.4335369    5.5031396     6.629106  0.024536474    6.7705237    31.324638    32.099391    32.099391  0.042356568 -0.0039258365  0.035178692 
+    8400    1.4502714    5.4659017    6.6050122   0.06575457    6.9774701    30.785462    32.099391    32.099391  0.056998298  0.084852971  0.055412441 
+    8500    1.4432366    5.4541505    6.5877355   0.03322226    6.7725932    30.241461    32.099391    32.099391  0.045871758  0.024443739  0.029351281 
+    8600     1.436491    5.4272043    6.5554911  0.039811655    6.7732608    29.729098    32.099391    32.099391  0.037709456  0.060942551  0.020782958 
+    8700    1.4099251    5.4106713    6.5180919  0.013490442     6.590596    29.209958    32.099391    32.099391  0.025833003 -0.0021161354  0.016754458 
+    8800    1.3801478    5.3926425    6.4766747  0.028808964    6.6280205    28.552039    32.099391    32.099391  0.012603549  0.018713073  0.055110271 
+    8900    1.4411695    5.3583474    6.4903088  0.053464468    6.7655624    27.980937    32.099391    32.099391  0.055084927  0.073292013  0.032016464 
+    9000    1.4264395    5.3680298    6.4884216  0.066557314    6.8276318     27.69922    32.099391    32.099391   0.05380086  0.069450871  0.076420212 
+Loop time of 1.45936 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 296020.704 tau/day, 685.233 timesteps/s
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.097855   | 0.1563     | 0.20542    |  12.5 | 10.71
+Bond    | 0.010222   | 0.01371    | 0.016844   |   2.6 |  0.94
+Neigh   | 0.43646    | 0.44419    | 0.4668     |   2.0 | 30.44
+Comm    | 0.10136    | 0.14589    | 0.19563    |  11.6 | 10.00
+Output  | 0.00046229 | 0.00076181 | 0.0016556  |   0.0 |  0.05
+Modify  | 0.59971    | 0.62524    | 0.65776    |   2.9 | 42.84
+Other   |            | 0.07327    |            |       |  5.02
+
+Nlocal:    1400 ave 1680 max 1049 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Nghost:    1627.25 ave 1775 max 1488 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+Neighs:    7842 ave 10600 max 4326 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+
+Total # of neighbors = 31368
+Ave neighs/atom = 5.60143
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 166
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nph molecule iso 0.05 0.05 1.0 dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/nph iso"
+rigid/nph iso
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.227 | 7.412 | 7.597 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+    9000    1.4264395    5.3680298    6.4884216 0.0098629166    6.5386881     27.69922    32.099391    32.099391  -0.32352455 -0.020288613   0.37340191 
+    9100    1.4501008    5.3468478    6.4858243  0.059250929    6.7846766     27.60347    31.988431    31.988431  0.076039445  0.051409059  0.050304282 
+    9200    1.4635102    5.3406895    6.4901983  0.035210102    6.6656151    27.490192    31.857158    31.857158 0.0079484246  0.066653954  0.031027926 
+    9300    1.4503713    5.3595734    6.4987624     0.020794    6.6013231    27.398334    31.750708    31.750708  0.053098983 0.0019379163 0.0073450997 
+    9400    1.4701421    5.3186993    6.4734172  0.039118143    6.6618027    27.181055    31.498913    31.498913  0.076457868 -0.0028405762  0.043737137 
+    9500    1.4495442     5.323167    6.4617063  0.073591495    6.8091096    27.000921    31.290164    31.290164  0.037777789  0.097624306  0.085372389 
+    9600    1.4668438    5.3002222    6.4523494   0.06758294    6.7648428    26.814997    31.074705    31.074705  0.057941415   0.09775976  0.047047645 
+    9700    1.4926839    5.2883964    6.4608196  0.059125916    6.7288224    26.637713    30.869258    30.869258  0.049817515  0.032285203  0.095275031 
+    9800    1.4644558    5.2702597    6.4205112 0.0076221617    6.4543756    26.460515    30.663911    30.663911 -0.0060723629  0.010616271  0.018322577 
+    9900    1.4669549    5.2511861    6.4034006  0.044167302    6.5961243     26.30195    30.480157    30.480157  0.026274163  0.013826125  0.092401618 
+   10000     1.460983    5.2470476    6.3945715   0.10536479    6.8483021    26.186495    30.346361    30.346361  0.088951294   0.11273872   0.11440435 
+Loop time of 1.61361 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 267722.758 tau/day, 619.729 timesteps/s
+93.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.13322    | 0.18643    | 0.259      |  12.5 | 11.55
+Bond    | 0.012367   | 0.014462   | 0.016771   |   1.6 |  0.90
+Neigh   | 0.46284    | 0.46471    | 0.46675    |   0.3 | 28.80
+Comm    | 0.10183    | 0.17241    | 0.22246    |  12.4 | 10.68
+Output  | 0.00044584 | 0.00074542 | 0.0016396  |   0.0 |  0.05
+Modify  | 0.691      | 0.7057     | 0.72761    |   1.8 | 43.73
+Other   |            | 0.06915    |            |       |  4.29
+
+Nlocal:    1400 ave 1633 max 1183 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    1747.75 ave 1847 max 1624 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    9290.75 ave 12454 max 6621 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 37163
+Ave neighs/atom = 6.63625
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 162
+Dangerous builds = 0
+unfix	1
+
+fix	1 rods	rigid/nph molecule x 0.05 0.05 1.0 y 0.05 0.05 1.0         couple xy dilate all
+800 rigid bodies with 4000 atoms
+print 	"rigid/nph xy couple"
+rigid/nph xy couple
+run	1000
+Per MPI rank memory allocation (min/avg/max) = 7.229 | 7.413 | 7.597 Mbytes
+Step Temp PotEng TotEng Press Enthalpy Lx Ly Lz Pxx Pyy Pzz 
+   10000     1.460983    5.2470476    6.3945715   0.18376191    7.1859023    26.186495    30.346361    30.346361  0.015959435   0.68341409  -0.14808778 
+   10100    1.4487259    5.2485513    6.3864479  0.060157728    6.6465409    26.238844    30.407026    30.346361   0.10289596  0.022823411   0.05475381 
+   10200    1.4335646    5.2420513    6.3680395  0.013676852    6.4271554    26.235255    30.402867    30.346361 -0.017328522  0.040786509  0.017572569 
+   10300    1.4334952    5.2377534    6.3636871  0.030978458    6.4967192    26.150168    30.304264    30.346361  0.044154015  0.036133394  0.012647966 
+   10400    1.4209473    5.2242736    6.3403516 -0.00094467594    6.3363148    26.085773     30.22964    30.346361  0.030664991  0.018005544 -0.051504563 
+   10500    1.4262805    5.2044624    6.3247294  0.045042501    6.5149748    25.934148    30.053928    30.346361  0.031103656  0.045410964  0.058612885 
+   10600    1.4516048    5.2017459    6.3419036  0.069565209    6.6313867    25.741959    29.831208    30.346361  0.021768778   0.11302833  0.073898515 
+   10700    1.4841074    5.1911212     6.356808  0.046866825    6.5493087    25.574636    29.637306    30.346361  0.073969059  0.064901506 0.0017299084 
+   10800    1.4646257    5.1958815    6.3462665  0.050747116    6.5534926    25.500146    29.550982    30.346361  0.076646556  0.070734108  0.004860682 
+   10900     1.461356    5.1821605    6.3299773  0.069060447     6.610166    25.417723    29.455466    30.346361  0.051399011  0.065631311  0.090151019 
+   11000    1.4395386    5.1786243    6.3093047 -0.0087983274    6.2737059    25.383039    29.415273    30.346361 -0.060891892  0.037235898 -0.0027389884 
+Loop time of 1.56065 on 4 procs for 1000 steps with 5600 atoms
+
+Performance: 276807.605 tau/day, 640.758 timesteps/s
+94.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.15892    | 0.20364    | 0.2564     |   9.2 | 13.05
+Bond    | 0.011486   | 0.014652   | 0.01918    |   2.6 |  0.94
+Neigh   | 0.43915    | 0.43981    | 0.44125    |   0.1 | 28.18
+Comm    | 0.093711   | 0.14431    | 0.18183    |   9.9 |  9.25
+Output  | 0.00044441 | 0.00073904 | 0.0016198  |   0.0 |  0.05
+Modify  | 0.66889    | 0.68497    | 0.70418    |   1.5 | 43.89
+Other   |            | 0.07254    |            |       |  4.65
+
+Nlocal:    1400 ave 1610 max 1237 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    1832 ave 1919 max 1765 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Neighs:    10008.2 ave 12428 max 7982 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 40033
+Ave neighs/atom = 7.14875
+Ave special neighs/atom = 0.571429
+Neighbor list builds = 157
+Dangerous builds = 0
+
+Total wall time: 0:00:11
diff --git a/examples/shear/log.5Oct16.shear.g++.1 b/examples/shear/log.27Nov18.shear.g++.1
similarity index 78%
rename from examples/shear/log.5Oct16.shear.g++.1
rename to examples/shear/log.27Nov18.shear.g++.1
index 2a9d4e4b93..37731131c1 100644
--- a/examples/shear/log.5Oct16.shear.g++.1
+++ b/examples/shear/log.27Nov18.shear.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
 units		metal
@@ -16,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.001899 secs
 
 pair_style	eam
 pair_coeff	* * Ni_u3.eam
@@ -61,38 +63,43 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.1
   ghost atom cutoff = 5.1
-  binsize = 2.55 -> bins = 23 14 4
-Memory usage per processor = 2.88718 Mbytes
+  binsize = 2.55, bins = 23 14 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.49 | 3.49 | 3.49 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          300   -8317.4367            0   -8263.8067   -7100.7667     19547.02 
       25    220.34459   -8272.5701            0   -8233.1798    5168.6655     19547.02 
       50          300   -8237.7876            0   -8184.1576    13741.264    19686.493 
       75    292.67269   -8229.8093            0   -8177.4891    14319.387    19744.946 
      100          300   -8245.8191            0    -8192.189    9034.8776    19778.592 
-Loop time of 0.259133 on 1 procs for 100 steps with 1912 atoms
+Loop time of 0.284035 on 1 procs for 100 steps with 1912 atoms
 
-Performance: 33.342 ns/day, 0.720 hours/ns, 385.902 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 30.419 ns/day, 0.789 hours/ns, 352.069 timesteps/s
+99.1% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.2446     | 0.2446     | 0.2446     |   0.0 | 94.39
-Neigh   | 0.0086329  | 0.0086329  | 0.0086329  |   0.0 |  3.33
-Comm    | 0.0014203  | 0.0014203  | 0.0014203  |   0.0 |  0.55
-Output  | 5.8413e-05 | 5.8413e-05 | 5.8413e-05 |   0.0 |  0.02
-Modify  | 0.0033374  | 0.0033374  | 0.0033374  |   0.0 |  1.29
-Other   |            | 0.001081   |            |       |  0.42
+Pair    | 0.26775    | 0.26775    | 0.26775    |   0.0 | 94.27
+Neigh   | 0.0096006  | 0.0096006  | 0.0096006  |   0.0 |  3.38
+Comm    | 0.0018885  | 0.0018885  | 0.0018885  |   0.0 |  0.66
+Output  | 9.8228e-05 | 9.8228e-05 | 9.8228e-05 |   0.0 |  0.03
+Modify  | 0.0035083  | 0.0035083  | 0.0035083  |   0.0 |  1.24
+Other   |            | 0.001191   |            |       |  0.42
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -125,11 +132,11 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
-Memory usage per processor = 2.88909 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.492 | 3.492 | 3.492 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    298.42546   -8245.8191            0   -8210.2533    8056.2702     19786.12 
      100          300    -8260.779            0   -8225.0257    3180.8817     19817.51 
@@ -162,20 +169,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     2800    306.61457   -8165.9986            0    -8129.457   -2360.5296    22954.851 
     2900    305.42952   -8161.9351            0   -8125.5347   -6928.3135    23081.881 
     3000     292.3109   -8156.8668            0   -8122.0298   -9481.3532    23197.918 
-Loop time of 7.96699 on 1 procs for 3000 steps with 1912 atoms
+Loop time of 8.5487 on 1 procs for 3000 steps with 1912 atoms
 
-Performance: 32.534 ns/day, 0.738 hours/ns, 376.554 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 30.320 ns/day, 0.792 hours/ns, 350.931 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 7.3036     | 7.3036     | 7.3036     |   0.0 | 91.67
-Neigh   | 0.48164    | 0.48164    | 0.48164    |   0.0 |  6.05
-Comm    | 0.045735   | 0.045735   | 0.045735   |   0.0 |  0.57
-Output  | 0.00060129 | 0.00060129 | 0.00060129 |   0.0 |  0.01
-Modify  | 0.10228    | 0.10228    | 0.10228    |   0.0 |  1.28
-Other   |            | 0.03312    |            |       |  0.42
+Pair    | 7.7964     | 7.7964     | 7.7964     |   0.0 | 91.20
+Neigh   | 0.54999    | 0.54999    | 0.54999    |   0.0 |  6.43
+Comm    | 0.061907   | 0.061907   | 0.061907   |   0.0 |  0.72
+Output  | 0.00085449 | 0.00085449 | 0.00085449 |   0.0 |  0.01
+Modify  | 0.10321    | 0.10321    | 0.10321    |   0.0 |  1.21
+Other   |            | 0.03637    |            |       |  0.43
 
 Nlocal:    1912 ave 1912 max 1912 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/shear/log.5Oct16.shear.g++.4 b/examples/shear/log.27Nov18.shear.g++.4
similarity index 78%
rename from examples/shear/log.5Oct16.shear.g++.4
rename to examples/shear/log.27Nov18.shear.g++.4
index ac94b38918..f06a26ece5 100644
--- a/examples/shear/log.5Oct16.shear.g++.4
+++ b/examples/shear/log.27Nov18.shear.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
 units		metal
@@ -16,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000388622 secs
 
 pair_style	eam
 pair_coeff	* * Ni_u3.eam
@@ -61,38 +63,43 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.1
   ghost atom cutoff = 5.1
-  binsize = 2.55 -> bins = 23 14 4
-Memory usage per processor = 2.78742 Mbytes
+  binsize = 2.55, bins = 23 14 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.371 | 3.371 | 3.371 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          300   -8317.4367            0   -8263.8067   -7100.7667     19547.02 
       25    219.81848   -8272.1577            0   -8232.8615    5206.8057     19547.02 
       50          300   -8238.3413            0   -8184.7112    13308.809    19688.933 
       75    294.78636   -8232.2217            0   -8179.5237    13192.782    19748.176 
      100          300   -8248.1223            0   -8194.4923    7352.0246    19816.321 
-Loop time of 0.0729427 on 4 procs for 100 steps with 1912 atoms
+Loop time of 0.0884107 on 4 procs for 100 steps with 1912 atoms
 
-Performance: 118.449 ns/day, 0.203 hours/ns, 1370.938 timesteps/s
-100.4% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 97.726 ns/day, 0.246 hours/ns, 1131.084 timesteps/s
+94.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.063756   | 0.065014   | 0.06712    |   0.5 | 89.13
-Neigh   | 0.0021732  | 0.0022199  | 0.0022831  |   0.1 |  3.04
-Comm    | 0.0017257  | 0.0039253  | 0.0052609  |   2.1 |  5.38
-Output  | 8.7023e-05 | 9.3579e-05 | 0.00010633 |   0.1 |  0.13
-Modify  | 0.00090957 | 0.00092477 | 0.00093555 |   0.0 |  1.27
-Other   |            | 0.0007653  |            |       |  1.05
+Pair    | 0.072181   | 0.073453   | 0.074266   |   0.3 | 83.08
+Neigh   | 0.0026526  | 0.0028275  | 0.0029895  |   0.2 |  3.20
+Comm    | 0.0081384  | 0.0091963  | 0.0099204  |   0.7 | 10.40
+Output  | 9.8705e-05 | 0.00012231 | 0.00018597 |   0.0 |  0.14
+Modify  | 0.00092363 | 0.00094259 | 0.00096059 |   0.0 |  1.07
+Other   |            | 0.001869   |            |       |  2.11
 
 Nlocal:    478 ave 490 max 466 min
 Histogram: 1 0 1 0 0 0 0 1 0 1
@@ -125,11 +132,11 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
-Memory usage per processor = 2.78742 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.371 | 3.371 | 3.371 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    302.29407   -8248.1223            0   -8212.0956    6393.6774     19845.81 
      100    291.61298   -8259.5472            0   -8224.7933   -1300.9229     19874.36 
@@ -162,20 +169,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     2800    306.09492   -8173.4147            0    -8136.935   -10981.226    22960.958 
     2900    303.27397   -8168.2141            0   -8132.0706   -8905.5017    23078.216 
     3000    301.48023   -8165.8151            0   -8129.8854   -10668.385    23201.582 
-Loop time of 2.25377 on 4 procs for 3000 steps with 1912 atoms
+Loop time of 2.66845 on 4 procs for 3000 steps with 1912 atoms
 
-Performance: 115.007 ns/day, 0.209 hours/ns, 1331.105 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 97.135 ns/day, 0.247 hours/ns, 1124.248 timesteps/s
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.8854     | 1.9462     | 2.0017     |   3.0 | 86.35
-Neigh   | 0.11869    | 0.12531    | 0.13086    |   1.2 |  5.56
-Comm    | 0.0676     | 0.13095    | 0.19879    |  13.0 |  5.81
-Output  | 0.0006516  | 0.00068212 | 0.00076056 |   0.2 |  0.03
-Modify  | 0.028034   | 0.028804   | 0.029825   |   0.5 |  1.28
-Other   |            | 0.02182    |            |       |  0.97
+Pair    | 2.1584     | 2.2278     | 2.3244     |   4.0 | 83.49
+Neigh   | 0.14134    | 0.15172    | 0.1614     |   2.0 |  5.69
+Comm    | 0.11957    | 0.22852    | 0.30416    |  14.2 |  8.56
+Output  | 0.00077462 | 0.0013641  | 0.0031083  |   2.7 |  0.05
+Modify  | 0.028383   | 0.029401   | 0.030651   |   0.5 |  1.10
+Other   |            | 0.02965    |            |       |  1.11
 
 Nlocal:    478 ave 509 max 446 min
 Histogram: 2 0 0 0 0 0 0 0 0 2
diff --git a/examples/shear/log.5Oct16.shear.void.g++.1 b/examples/shear/log.27Nov18.shear.void.g++.1
similarity index 78%
rename from examples/shear/log.5Oct16.shear.void.g++.1
rename to examples/shear/log.27Nov18.shear.void.g++.1
index 2eb48c76d8..ea97045168 100644
--- a/examples/shear/log.5Oct16.shear.void.g++.1
+++ b/examples/shear/log.27Nov18.shear.void.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
 units		metal
@@ -16,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000714779 secs
 
 pair_style	eam
 pair_coeff	* * Ni_u3.eam
@@ -62,38 +64,43 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.1
   ghost atom cutoff = 5.1
-  binsize = 2.55 -> bins = 23 14 4
-Memory usage per processor = 2.86988 Mbytes
+  binsize = 2.55, bins = 23 14 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.469 | 3.469 | 3.469 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          300   -7358.6159            0   -7312.8966   -9600.8353     19547.02 
       25    222.66197   -7321.4403            0   -7287.5071    562.28854     19547.02 
       50          300   -7292.2273            0    -7246.508    7555.5059    19688.542 
       75    292.67603   -7286.2016            0   -7241.5984     6825.409    19746.217 
      100          300   -7297.4174            0    -7251.698    1627.2455    19775.648 
-Loop time of 0.228115 on 1 procs for 100 steps with 1708 atoms
+Loop time of 0.248797 on 1 procs for 100 steps with 1708 atoms
 
-Performance: 37.876 ns/day, 0.634 hours/ns, 438.375 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 34.727 ns/day, 0.691 hours/ns, 401.933 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.21523    | 0.21523    | 0.21523    |   0.0 | 94.35
-Neigh   | 0.0075827  | 0.0075827  | 0.0075827  |   0.0 |  3.32
-Comm    | 0.001266   | 0.001266   | 0.001266   |   0.0 |  0.55
-Output  | 5.4121e-05 | 5.4121e-05 | 5.4121e-05 |   0.0 |  0.02
-Modify  | 0.0030229  | 0.0030229  | 0.0030229  |   0.0 |  1.33
-Other   |            | 0.0009584  |            |       |  0.42
+Pair    | 0.2343     | 0.2343     | 0.2343     |   0.0 | 94.17
+Neigh   | 0.0084395  | 0.0084395  | 0.0084395  |   0.0 |  3.39
+Comm    | 0.0016763  | 0.0016763  | 0.0016763  |   0.0 |  0.67
+Output  | 0.0001018  | 0.0001018  | 0.0001018  |   0.0 |  0.04
+Modify  | 0.0030863  | 0.0030863  | 0.0030863  |   0.0 |  1.24
+Other   |            | 0.001193   |            |       |  0.48
 
 Nlocal:    1708 ave 1708 max 1708 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -126,11 +133,11 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
-Memory usage per processor = 2.86988 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.469 | 3.469 | 3.469 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    296.68961   -7297.4174            0   -7267.2741    785.80272    19779.424 
      100    290.29095   -7309.7136            0   -7280.2205   -5956.8739    19838.833 
@@ -163,20 +170,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     2800    293.40764   -7248.9658            0    -7219.156   -17298.989    22959.736 
     2900    306.87934   -7249.3942            0   -7218.2158   -17152.689    23078.216 
     3000    308.14535   -7244.6151            0    -7213.308   -15383.029    23210.132 
-Loop time of 6.91463 on 1 procs for 3000 steps with 1708 atoms
+Loop time of 7.37965 on 1 procs for 3000 steps with 1708 atoms
 
-Performance: 37.486 ns/day, 0.640 hours/ns, 433.863 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 35.124 ns/day, 0.683 hours/ns, 406.523 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 6.3607     | 6.3607     | 6.3607     |   0.0 | 91.99
-Neigh   | 0.39249    | 0.39249    | 0.39249    |   0.0 |  5.68
-Comm    | 0.040066   | 0.040066   | 0.040066   |   0.0 |  0.58
-Output  | 0.0005281  | 0.0005281  | 0.0005281  |   0.0 |  0.01
-Modify  | 0.092056   | 0.092056   | 0.092056   |   0.0 |  1.33
-Other   |            | 0.02877    |            |       |  0.42
+Pair    | 6.7514     | 6.7514     | 6.7514     |   0.0 | 91.49
+Neigh   | 0.45084    | 0.45084    | 0.45084    |   0.0 |  6.11
+Comm    | 0.053905   | 0.053905   | 0.053905   |   0.0 |  0.73
+Output  | 0.00081897 | 0.00081897 | 0.00081897 |   0.0 |  0.01
+Modify  | 0.090654   | 0.090654   | 0.090654   |   0.0 |  1.23
+Other   |            | 0.032      |            |       |  0.43
 
 Nlocal:    1708 ave 1708 max 1708 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/shear/log.5Oct16.shear.void.g++.4 b/examples/shear/log.27Nov18.shear.void.g++.4
similarity index 78%
rename from examples/shear/log.5Oct16.shear.void.g++.4
rename to examples/shear/log.27Nov18.shear.void.g++.4
index 89c88d2ecf..cea6f6fc65 100644
--- a/examples/shear/log.5Oct16.shear.void.g++.4
+++ b/examples/shear/log.27Nov18.shear.void.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 3d metal shear simulation
 
 units		metal
@@ -16,6 +17,7 @@ lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
 Lattice spacing in x,y,z = 3.52 4.97803 4.97803
 create_atoms	1 box
 Created 1912 atoms
+  Time spent = 0.000400543 secs
 
 pair_style	eam
 pair_coeff	* * Ni_u3.eam
@@ -62,38 +64,43 @@ fix_modify	3 temp new3d
 
 thermo		25
 thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 timestep	0.001
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 5 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 5.1
   ghost atom cutoff = 5.1
-  binsize = 2.55 -> bins = 23 14 4
-Memory usage per processor = 2.7752 Mbytes
+  binsize = 2.55, bins = 23 14 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair eam, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.356 | 3.356 | 3.356 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0          300   -7358.6159            0   -7312.8966   -9600.8353     19547.02 
       25    220.57465   -7320.4003            0   -7286.7852    832.69858     19547.02 
       50          300   -7292.1121            0   -7246.3928    7101.9213    19686.075 
       75     295.2793   -7286.9013            0   -7241.9014    5282.1114     19746.39 
      100          300   -7301.0026            0   -7255.2833   -1939.7714    19790.975 
-Loop time of 0.0665765 on 4 procs for 100 steps with 1708 atoms
+Loop time of 0.0688287 on 4 procs for 100 steps with 1708 atoms
 
-Performance: 129.776 ns/day, 0.185 hours/ns, 1502.032 timesteps/s
-98.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 125.529 ns/day, 0.191 hours/ns, 1452.882 timesteps/s
+96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.056678   | 0.05843    | 0.061234   |   0.7 | 87.76
-Neigh   | 0.001873   | 0.0019386  | 0.0019932  |   0.1 |  2.91
-Comm    | 0.0016048  | 0.0044546  | 0.0062997  |   2.6 |  6.69
-Output  | 8.2016e-05 | 8.6188e-05 | 9.6321e-05 |   0.1 |  0.13
-Modify  | 0.0008502  | 0.00086212 | 0.00087571 |   0.0 |  1.29
-Other   |            | 0.0008054  |            |       |  1.21
+Pair    | 0.059247   | 0.060771   | 0.062449   |   0.5 | 88.29
+Neigh   | 0.0022693  | 0.0023552  | 0.0024772  |   0.2 |  3.42
+Comm    | 0.0018966  | 0.0037905  | 0.005276   |   2.1 |  5.51
+Output  | 8.297e-05  | 0.00011259 | 0.00019741 |   0.0 |  0.16
+Modify  | 0.00082994 | 0.00084907 | 0.00086927 |   0.0 |  1.23
+Other   |            | 0.0009506  |            |       |  1.38
 
 Nlocal:    427 ave 437 max 419 min
 Histogram: 1 1 0 0 0 0 1 0 0 1
@@ -126,11 +133,11 @@ fix_modify	3 temp new2d
 
 thermo		100
 thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 
 reset_timestep	0
 run		3000
-Memory usage per processor = 2.7752 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 3.356 | 3.356 | 3.356 Mbytes
 Step Temp E_pair E_mol TotEng Press Volume 
        0    298.93143   -7301.0026            0   -7270.6316   -2766.8643    19799.958 
      100    301.13545   -7308.1131            0   -7277.5182   -8902.3332    19851.054 
@@ -163,20 +170,20 @@ Step Temp E_pair E_mol TotEng Press Volume
     2800    298.94765   -7255.6331            0   -7225.2605   -20555.015    22959.736 
     2900    294.98551   -7249.0201            0     -7219.05   -23986.374    23079.438 
     3000    291.21483   -7244.1837            0   -7214.5967   -25356.925    23197.918 
-Loop time of 1.88696 on 4 procs for 3000 steps with 1708 atoms
+Loop time of 2.21357 on 4 procs for 3000 steps with 1708 atoms
 
-Performance: 137.364 ns/day, 0.175 hours/ns, 1589.856 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 117.096 ns/day, 0.205 hours/ns, 1355.278 timesteps/s
+96.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.608      | 1.6534     | 1.6897     |   2.3 | 87.62
-Neigh   | 0.099209   | 0.10261    | 0.10744    |   0.9 |  5.44
-Comm    | 0.044314   | 0.086752   | 0.13601    |  11.1 |  4.60
-Output  | 0.00059652 | 0.00062531 | 0.00070548 |   0.2 |  0.03
-Modify  | 0.024703   | 0.025439   | 0.026699   |   0.5 |  1.35
-Other   |            | 0.01814    |            |       |  0.96
+Pair    | 1.8072     | 1.86       | 1.9192     |   3.7 | 84.03
+Neigh   | 0.11667    | 0.12264    | 0.13213    |   1.7 |  5.54
+Comm    | 0.10804    | 0.17878    | 0.23557    |  13.3 |  8.08
+Output  | 0.00073075 | 0.0012527  | 0.002811   |   2.5 |  0.06
+Modify  | 0.024781   | 0.025831   | 0.02754    |   0.7 |  1.17
+Other   |            | 0.02508    |            |       |  1.13
 
 Nlocal:    427 ave 450 max 403 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
@@ -189,4 +196,4 @@ Total # of neighbors = 38325
 Ave neighs/atom = 22.4385
 Neighbor list builds = 215
 Dangerous builds = 0
-Total wall time: 0:00:01
+Total wall time: 0:00:02
diff --git a/examples/snap/log.20Apr18.snap.Mo_Chen.g++.1 b/examples/snap/log.27Nov18.snap.Mo_Chen.g++.1
similarity index 86%
rename from examples/snap/log.20Apr18.snap.Mo_Chen.g++.1
rename to examples/snap/log.27Nov18.snap.Mo_Chen.g++.1
index c5e0f6abab..0ca8406d10 100644
--- a/examples/snap/log.20Apr18.snap.Mo_Chen.g++.1
+++ b/examples/snap/log.27Nov18.snap.Mo_Chen.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.64 12.64 12.64)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000223637 secs
+  Time spent = 0.00029707 secs
 
 mass 1 183.84
 
@@ -95,20 +94,20 @@ Step Temp E_pair E_mol TotEng Press
       80    87.224916   -22.378685            0   -22.367499     10247.68 
       90    62.623892    -22.37553            0   -22.367498    11250.067 
      100      45.9103   -22.373386            0   -22.367498    12011.726 
-Loop time of 3.3917 on 1 procs for 100 steps with 128 atoms
+Loop time of 7.00873 on 1 procs for 100 steps with 128 atoms
 
-Performance: 1.274 ns/day, 18.843 hours/ns, 29.484 timesteps/s
+Performance: 0.616 ns/day, 38.937 hours/ns, 14.268 timesteps/s
 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.3906     | 3.3906     | 3.3906     |   0.0 | 99.97
+Pair    | 7.0068     | 7.0068     | 7.0068     |   0.0 | 99.97
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00039721 | 0.00039721 | 0.00039721 |   0.0 |  0.01
-Output  | 0.00023007 | 0.00023007 | 0.00023007 |   0.0 |  0.01
-Modify  | 0.00021887 | 0.00021887 | 0.00021887 |   0.0 |  0.01
-Other   |            | 0.0002868  |            |       |  0.01
+Comm    | 0.00083661 | 0.00083661 | 0.00083661 |   0.0 |  0.01
+Output  | 0.00025535 | 0.00025535 | 0.00025535 |   0.0 |  0.00
+Modify  | 0.00034285 | 0.00034285 | 0.00034285 |   0.0 |  0.00
+Other   |            | 0.0005035  |            |       |  0.01
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -124,4 +123,4 @@ Ave neighs/atom = 58
 Neighbor list builds = 0
 Dangerous builds = 0
 
-Total wall time: 0:00:03
+Total wall time: 0:00:07
diff --git a/examples/snap/log.20Apr18.snap.Mo_Chen.g++.4 b/examples/snap/log.27Nov18.snap.Mo_Chen.g++.4
similarity index 85%
rename from examples/snap/log.20Apr18.snap.Mo_Chen.g++.4
rename to examples/snap/log.27Nov18.snap.Mo_Chen.g++.4
index c25f1f5530..a8c3d6858c 100644
--- a/examples/snap/log.20Apr18.snap.Mo_Chen.g++.4
+++ b/examples/snap/log.27Nov18.snap.Mo_Chen.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.64 12.64 12.64)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000277281 secs
+  Time spent = 0.000289917 secs
 
 mass 1 183.84
 
@@ -95,20 +94,20 @@ Step Temp E_pair E_mol TotEng Press
       80    83.449257   -22.378201            0   -22.367499    10047.619 
       90    58.862643   -22.375048            0   -22.367498    11012.233 
      100     42.41931   -22.372939            0   -22.367498    11740.641 
-Loop time of 1.91636 on 4 procs for 100 steps with 128 atoms
+Loop time of 2.15419 on 4 procs for 100 steps with 128 atoms
 
-Performance: 2.254 ns/day, 10.646 hours/ns, 52.182 timesteps/s
-97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 2.005 ns/day, 11.968 hours/ns, 46.421 timesteps/s
+92.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.8147     | 1.8411     | 1.8875     |   2.1 | 96.07
+Pair    | 1.7677     | 1.9028     | 1.9897     |   6.2 | 88.33
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.022276   | 0.069629   | 0.095057   |  10.7 |  3.63
-Output  | 0.00032496 | 0.00065821 | 0.0016179  |   0.0 |  0.03
-Modify  | 0.00019503 | 0.00020915 | 0.00023341 |   0.0 |  0.01
-Other   |            | 0.00481    |            |       |  0.25
+Comm    | 0.15367    | 0.24295    | 0.38029    |  17.6 | 11.28
+Output  | 0.00034404 | 0.0012512  | 0.0017219  |   1.6 |  0.06
+Modify  | 0.00018859 | 0.00021273 | 0.00023699 |   0.0 |  0.01
+Other   |            | 0.007011   |            |       |  0.33
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -124,4 +123,4 @@ Ave neighs/atom = 58
 Neighbor list builds = 0
 Dangerous builds = 0
 
-Total wall time: 0:00:01
+Total wall time: 0:00:02
diff --git a/examples/snap/log.20Apr18.snap.Ta06A.g++.1 b/examples/snap/log.27Nov18.snap.Ta06A.g++.1
similarity index 86%
rename from examples/snap/log.20Apr18.snap.Ta06A.g++.1
rename to examples/snap/log.27Nov18.snap.Ta06A.g++.1
index d2296852a0..76cdc8641a 100644
--- a/examples/snap/log.20Apr18.snap.Ta06A.g++.1
+++ b/examples/snap/log.27Nov18.snap.Ta06A.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (13.264 13.264 13.264)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000328064 secs
+  Time spent = 0.000350714 secs
 
 mass 1 180.88
 
@@ -117,20 +116,20 @@ Step Temp E_pair E_mol TotEng Press
       80    124.04276   -11.829003            0   -11.813094     1537.703 
       90     97.37622   -11.825582            0   -11.813094    1734.9662 
      100    75.007873   -11.822714            0   -11.813094    1930.8005 
-Loop time of 2.53266 on 1 procs for 100 steps with 128 atoms
+Loop time of 5.03244 on 1 procs for 100 steps with 128 atoms
 
-Performance: 1.706 ns/day, 14.070 hours/ns, 39.484 timesteps/s
-99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.858 ns/day, 27.958 hours/ns, 19.871 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.5313     | 2.5313     | 2.5313     |   0.0 | 99.95
+Pair    | 5.0308     | 5.0308     | 5.0308     |   0.0 | 99.97
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00051379 | 0.00051379 | 0.00051379 |   0.0 |  0.02
-Output  | 0.00023317 | 0.00023317 | 0.00023317 |   0.0 |  0.01
-Modify  | 0.00023675 | 0.00023675 | 0.00023675 |   0.0 |  0.01
-Other   |            | 0.0003583  |            |       |  0.01
+Comm    | 0.00070858 | 0.00070858 | 0.00070858 |   0.0 |  0.01
+Output  | 0.00024676 | 0.00024676 | 0.00024676 |   0.0 |  0.00
+Modify  | 0.0002749  | 0.0002749  | 0.0002749  |   0.0 |  0.01
+Other   |            | 0.0004299  |            |       |  0.01
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -146,4 +145,4 @@ Ave neighs/atom = 58
 Neighbor list builds = 0
 Dangerous builds = 0
 
-Total wall time: 0:00:02
+Total wall time: 0:00:05
diff --git a/examples/snap/log.20Apr18.snap.Ta06A.g++.4 b/examples/snap/log.27Nov18.snap.Ta06A.g++.4
similarity index 87%
rename from examples/snap/log.20Apr18.snap.Ta06A.g++.4
rename to examples/snap/log.27Nov18.snap.Ta06A.g++.4
index 4d26481d5d..4cc5b82c9b 100644
--- a/examples/snap/log.20Apr18.snap.Ta06A.g++.4
+++ b/examples/snap/log.27Nov18.snap.Ta06A.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (13.264 13.264 13.264)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000288486 secs
+  Time spent = 0.000299692 secs
 
 mass 1 180.88
 
@@ -117,20 +116,20 @@ Step Temp E_pair E_mol TotEng Press
       80    121.80051   -11.828715            0   -11.813094    1627.6911 
       90    95.262635   -11.825311            0   -11.813094    1812.9327 
      100    73.194645   -11.822481            0   -11.813094    1995.2199 
-Loop time of 1.3621 on 4 procs for 100 steps with 128 atoms
+Loop time of 1.4959 on 4 procs for 100 steps with 128 atoms
 
-Performance: 3.172 ns/day, 7.567 hours/ns, 73.416 timesteps/s
-98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 2.888 ns/day, 8.311 hours/ns, 66.850 timesteps/s
+94.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.2867     | 1.309      | 1.35       |   2.1 | 96.10
+Pair    | 1.2973     | 1.3263     | 1.3444     |   1.6 | 88.66
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0096083  | 0.050652   | 0.072999   |  10.9 |  3.72
-Output  | 0.00031447 | 0.00060236 | 0.0014303  |   0.0 |  0.04
-Modify  | 0.00014234 | 0.00016212 | 0.00018811 |   0.0 |  0.01
-Other   |            | 0.001728   |            |       |  0.13
+Comm    | 0.14155    | 0.16475    | 0.19518    |   5.0 | 11.01
+Output  | 0.00055361 | 0.0006234  | 0.00078511 |   0.0 |  0.04
+Modify  | 0.00016427 | 0.00020635 | 0.00032949 |   0.0 |  0.01
+Other   |            | 0.004009   |            |       |  0.27
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/snap/log.20Apr18.snap.W.2940.g++.1 b/examples/snap/log.27Nov18.snap.W.2940.g++.1
similarity index 87%
rename from examples/snap/log.20Apr18.snap.W.2940.g++.1
rename to examples/snap/log.27Nov18.snap.W.2940.g++.1
index 19b2bfb40d..d2c540c709 100644
--- a/examples/snap/log.20Apr18.snap.W.2940.g++.1
+++ b/examples/snap/log.27Nov18.snap.W.2940.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.7212 12.7212 12.7212)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000190258 secs
+  Time spent = 0.000316143 secs
 
 mass 1 183.84
 
@@ -116,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press
       80    58.605244   -10.997364            0   -10.989848    11289.914 
       90    39.754503   -10.994946            0   -10.989848    11824.945 
      100    32.524085   -10.994019            0   -10.989848    11932.118 
-Loop time of 9.69738 on 1 procs for 100 steps with 128 atoms
+Loop time of 18.7678 on 1 procs for 100 steps with 128 atoms
 
-Performance: 0.445 ns/day, 53.874 hours/ns, 10.312 timesteps/s
+Performance: 0.230 ns/day, 104.265 hours/ns, 5.328 timesteps/s
 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 9.6961     | 9.6961     | 9.6961     |   0.0 | 99.99
+Pair    | 18.766     | 18.766     | 18.766     |   0.0 | 99.99
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00044036 | 0.00044036 | 0.00044036 |   0.0 |  0.00
-Output  | 0.00024843 | 0.00024843 | 0.00024843 |   0.0 |  0.00
-Modify  | 0.00023937 | 0.00023937 | 0.00023937 |   0.0 |  0.00
-Other   |            | 0.0003347  |            |       |  0.00
+Comm    | 0.00081968 | 0.00081968 | 0.00081968 |   0.0 |  0.00
+Output  | 0.00028563 | 0.00028563 | 0.00028563 |   0.0 |  0.00
+Modify  | 0.0003283  | 0.0003283  | 0.0003283  |   0.0 |  0.00
+Other   |            | 0.0005233  |            |       |  0.00
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -145,4 +144,4 @@ Ave neighs/atom = 58
 Neighbor list builds = 0
 Dangerous builds = 0
 
-Total wall time: 0:00:09
+Total wall time: 0:00:18
diff --git a/examples/snap/log.20Apr18.snap.W.2940.g++.4 b/examples/snap/log.27Nov18.snap.W.2940.g++.4
similarity index 87%
rename from examples/snap/log.20Apr18.snap.W.2940.g++.4
rename to examples/snap/log.27Nov18.snap.W.2940.g++.4
index dfa63fc6ea..cdd063de28 100644
--- a/examples/snap/log.20Apr18.snap.W.2940.g++.4
+++ b/examples/snap/log.27Nov18.snap.W.2940.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.7212 12.7212 12.7212)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000309944 secs
+  Time spent = 0.000297546 secs
 
 mass 1 183.84
 
@@ -116,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press
       80    56.127265   -10.997046            0   -10.989848    11551.687 
       90    38.025013   -10.994724            0   -10.989847    12069.936 
      100    31.768127   -10.993922            0   -10.989847    12145.648 
-Loop time of 5.15615 on 4 procs for 100 steps with 128 atoms
+Loop time of 5.38055 on 4 procs for 100 steps with 128 atoms
 
-Performance: 0.838 ns/day, 28.645 hours/ns, 19.394 timesteps/s
-98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.803 ns/day, 29.892 hours/ns, 18.585 timesteps/s
+96.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.0497     | 5.0762     | 5.092      |   0.8 | 98.45
+Pair    | 4.8254     | 5.0245     | 5.2817     |   7.7 | 93.38
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.060802   | 0.07661    | 0.10305    |   6.1 |  1.49
-Output  | 0.00040722 | 0.00078458 | 0.0018959  |   0.0 |  0.02
-Modify  | 0.0002389  | 0.00024962 | 0.00027442 |   0.0 |  0.00
-Other   |            | 0.002315   |            |       |  0.04
+Comm    | 0.093845   | 0.34915    | 0.5466     |  29.1 |  6.49
+Output  | 0.00032616 | 0.0011846  | 0.0037167  |   4.2 |  0.02
+Modify  | 0.00022507 | 0.00025326 | 0.0002687  |   0.0 |  0.00
+Other   |            | 0.005432   |            |       |  0.10
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.1 b/examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.1
similarity index 87%
rename from examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.1
rename to examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.1
index 3f40936308..7d49043aa0 100644
--- a/examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.1
+++ b/examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.7212 12.7212 12.7212)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000431538 secs
+  Time spent = 0.000426054 secs
 mass 1 183.84
 mass 2 4.0026
 
@@ -75,11 +74,11 @@ SNAP keyword quadraticflag 0
 pair_coeff      2 2 table 1 He_He_JW2013.table HeHe
 Reading potential file He_He_JW2013.table with DATE: 2017-02-20
 WARNING: 1 of 4999 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 pair_coeff      1 2 table 2 W_He_JW2013.table WHe
 Reading potential file W_He_JW2013.table with DATE: 2017-02-20
 WARNING: 3 of 325 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 #Hybrid/overlay will take all pair styles and add their contributions equally, order of pair_coeff doesnt matter here
 #This is not the case for pair_style hybrid ... where only one pair_coeff is read for each type combination, order matters here.
 
@@ -151,20 +150,20 @@ Step Temp E_pair E_mol TotEng Press
       80    85.903126   -10.410645            0   -10.399628    857.74986 
       90    65.223651   -10.407993            0   -10.399628    1494.2746 
      100    59.833542   -10.407302            0   -10.399628    1938.9164 
-Loop time of 8.902 on 1 procs for 100 steps with 128 atoms
+Loop time of 17.6435 on 1 procs for 100 steps with 128 atoms
 
-Performance: 0.485 ns/day, 49.456 hours/ns, 11.233 timesteps/s
-99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 0.245 ns/day, 98.019 hours/ns, 5.668 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 8.9002     | 8.9002     | 8.9002     |   0.0 | 99.98
-Neigh   | 0.00043058 | 0.00043058 | 0.00043058 |   0.0 |  0.00
-Comm    | 0.00045776 | 0.00045776 | 0.00045776 |   0.0 |  0.01
-Output  | 0.00025344 | 0.00025344 | 0.00025344 |   0.0 |  0.00
-Modify  | 0.00022483 | 0.00022483 | 0.00022483 |   0.0 |  0.00
-Other   |            | 0.0003953  |            |       |  0.00
+Pair    | 17.641     | 17.641     | 17.641     |   0.0 | 99.99
+Neigh   | 0.00054359 | 0.00054359 | 0.00054359 |   0.0 |  0.00
+Comm    | 0.00080729 | 0.00080729 | 0.00080729 |   0.0 |  0.00
+Output  | 0.00026512 | 0.00026512 | 0.00026512 |   0.0 |  0.00
+Modify  | 0.00033879 | 0.00033879 | 0.00033879 |   0.0 |  0.00
+Other   |            | 0.0005448  |            |       |  0.00
 
 Nlocal:    128 ave 128 max 128 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -180,4 +179,4 @@ Ave neighs/atom = 53.5156
 Neighbor list builds = 1
 Dangerous builds = 0
 
-Total wall time: 0:00:09
+Total wall time: 0:00:17
diff --git a/examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.4 b/examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.4
similarity index 88%
rename from examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.4
rename to examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.4
index 4ec85a63d0..05db710266 100644
--- a/examples/snap/log.20Apr18.snap.hybrid.WSNAP.HePair.g++.4
+++ b/examples/snap/log.27Nov18.snap.hybrid.WSNAP.HePair.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Demonstrate SNAP Ta potential
 
@@ -33,7 +32,7 @@ Created orthogonal box = (0 0 0) to (12.7212 12.7212 12.7212)
   1 by 2 by 2 MPI processor grid
 create_atoms	1 box
 Created 128 atoms
-  Time spent = 0.000274658 secs
+  Time spent = 0.000303984 secs
 mass 1 183.84
 mass 2 4.0026
 
@@ -75,11 +74,11 @@ SNAP keyword quadraticflag 0
 pair_coeff      2 2 table 1 He_He_JW2013.table HeHe
 Reading potential file He_He_JW2013.table with DATE: 2017-02-20
 WARNING: 1 of 4999 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 pair_coeff      1 2 table 2 W_He_JW2013.table WHe
 Reading potential file W_He_JW2013.table with DATE: 2017-02-20
 WARNING: 3 of 325 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 #Hybrid/overlay will take all pair styles and add their contributions equally, order of pair_coeff doesnt matter here
 #This is not the case for pair_style hybrid ... where only one pair_coeff is read for each type combination, order matters here.
 
@@ -151,20 +150,20 @@ Step Temp E_pair E_mol TotEng Press
       80    79.985938   -10.409886            0   -10.399628    2392.1106 
       90    62.568933   -10.407652            0   -10.399628    3141.7027 
      100    56.697933   -10.406899            0   -10.399628    3583.9538 
-Loop time of 4.82103 on 4 procs for 100 steps with 128 atoms
+Loop time of 4.7853 on 4 procs for 100 steps with 128 atoms
 
-Performance: 0.896 ns/day, 26.783 hours/ns, 20.742 timesteps/s
-99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 0.903 ns/day, 26.585 hours/ns, 20.897 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 4.4837     | 4.6734     | 4.7605     |   5.2 | 96.94
+Pair    | 4.394      | 4.5813     | 4.7463     |   5.9 | 95.74
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.057389   | 0.14453    | 0.33421    |  29.4 |  3.00
-Output  | 0.00038719 | 0.00073916 | 0.0017841  |   0.0 |  0.02
-Modify  | 0.00018716 | 0.00022203 | 0.00026417 |   0.0 |  0.00
-Other   |            | 0.002119   |            |       |  0.04
+Comm    | 0.035261   | 0.19515    | 0.38629    |  28.5 |  4.08
+Output  | 0.00031662 | 0.00060844 | 0.0014563  |   0.0 |  0.01
+Modify  | 0.00018692 | 0.0001924  | 0.00020123 |   0.0 |  0.00
+Other   |            | 0.008012   |            |       |  0.17
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/srd/log.5Oct16.srd.mixture.g++.1 b/examples/srd/log.27Nov18.srd.mixture.g++.1
similarity index 85%
rename from examples/srd/log.5Oct16.srd.mixture.g++.1
rename to examples/srd/log.27Nov18.srd.mixture.g++.1
index d7c9fe5bab..6207a7948e 100644
--- a/examples/srd/log.5Oct16.srd.mixture.g++.1
+++ b/examples/srd/log.27Nov18.srd.mixture.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d SRD test: big + small particles
 
 units		lj
@@ -16,6 +17,7 @@ Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
   1 by 1 by 1 MPI processor grid
 create_atoms	1 region box
 Created 100 atoms
+  Time spent = 0.000496387 secs
 set		type 1 mass 1.0
   100 settings made for mass
 set		type 1 diameter 1.0
@@ -40,30 +42,35 @@ fix		2 all enforce2d
 
 run		1000
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-Memory usage per processor = 3.60175 Mbytes
+  binsize = 1.4, bins = 12 12 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.173 | 4.173 | 4.173 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         1.44     -0.54272            0      0.88288    -0.041088 
     1000    1.8791467  -0.97185784            0    0.8884974   0.61487656 
-Loop time of 0.0151019 on 1 procs for 1000 steps with 100 atoms
+Loop time of 0.0159547 on 1 procs for 1000 steps with 100 atoms
 
-Performance: 28605653.879 tau/day, 66216.791 timesteps/s
-105.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 27076604.970 tau/day, 62677.326 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0079689  | 0.0079689  | 0.0079689  |   0.0 | 52.77
-Neigh   | 0.0030537  | 0.0030537  | 0.0030537  |   0.0 | 20.22
-Comm    | 0.001416   | 0.001416   | 0.001416   |   0.0 |  9.38
-Output  | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  0.04
-Modify  | 0.001749   | 0.001749   | 0.001749   |   0.0 | 11.58
-Other   |            | 0.0009084  |            |       |  6.01
+Pair    | 0.0072021  | 0.0072021  | 0.0072021  |   0.0 | 45.14
+Neigh   | 0.0030136  | 0.0030136  | 0.0030136  |   0.0 | 18.89
+Comm    | 0.0022571  | 0.0022571  | 0.0022571  |   0.0 | 14.15
+Output  | 9.5367e-06 | 9.5367e-06 | 9.5367e-06 |   0.0 |  0.06
+Modify  | 0.0021653  | 0.0021653  | 0.0021653  |   0.0 | 13.57
+Other   |            | 0.001307   |            |       |  8.19
 
 Nlocal:    100 ave 100 max 100 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -89,6 +96,7 @@ lattice		sq 85.0
 Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
 create_atoms	2 region plane
 Created 21316 atoms
+  Time spent = 0.0168567 secs
 set		type 2 mass 0.01
   21316 settings made for mass
 set		type 2 diameter 0.0
@@ -109,13 +117,23 @@ pair_coeff	1 2 0.0 1.0 0.5
 
 delete_atoms	overlap 0.5 small big
 Neighbor list info ...
-  2 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-WARNING: Delete_atoms cutoff > minimum neighbor cutoff (../delete_atoms.cpp:278)
+  binsize = 1.4, bins = 12 12 2
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command delete_atoms, occasional
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+WARNING: Delete_atoms cutoff > minimum neighbor cutoff (src/delete_atoms.cpp:305)
 Deleted 6700 atoms, new total = 14716
 
 # SRD run
@@ -151,7 +169,7 @@ variable	ebig equal etotal*atoms/count(big)
 thermo_style	custom step temp f_2[7] etotal v_pebig v_ebig press 		f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] 		f_2[6] f_2[8] f_2[9] f_2[10]
 
 thermo_modify	temp tbig
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
 thermo		100
 
 #dump		1 all atom 250 dump.srd.mixture
@@ -173,18 +191,23 @@ SRD info:
   SRD per actual grid cell = 4.86648
   SRD viscosity = 0.463448
   big/SRD mass density ratio = 2.12808
-WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2884)
+WARNING: Fix srd grid size > 1/4 of big particle diameter (src/SRD/fix_srd.cpp:2888)
   # of rescaled SRD velocities = 0
   ave/max small velocity = 13.2944 24.262
   ave/max big velocity = 1.69284 5.10989
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.8
   ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-Memory usage per processor = 14.7783 Mbytes
+  binsize = 1.4, bins = 12 12 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 15.84 | 15.84 | 15.84 Mbytes
 Step Temp f_2[7] TotEng v_pebig v_ebig Press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[8] f_2[9] f_2[10] 
        0    1.8791467            0 0.0060376284  -0.97185784    0.8884974   0.61487656            0            0            0            0            0            0            0            0            0 
      100    1.1596877         3969   0.00179671  -0.88368701   0.26440385   0.85824547         7578           83           83            0           14        12996         3000    1.0041859            0 
@@ -237,20 +260,20 @@ Step Temp f_2[7] TotEng v_pebig v_ebig Press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5]
     4800    1.2169028         3969 0.0010831546   -1.0453368   0.15939704   0.42728069         7444           80           80            0         1560        12996         2997    1.0300677            0 
     4900   0.90968786         3969 -0.0010022199   -1.0480777  -0.14748667   0.37681568         7563           88           88            0         1592        12996         2997    1.0257714            0 
     5000    1.0856525         3969 0.0001301746   -1.0556395  0.019156494   0.55496941         7439           78           78            0         1633        12996         3008    1.0343075            0 
-Loop time of 2.9124 on 1 procs for 5000 steps with 14716 atoms
+Loop time of 3.59613 on 1 procs for 5000 steps with 14716 atoms
 
-Performance: 148331.176 tau/day, 1716.796 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 120129.150 tau/day, 1390.384 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.041905   | 0.041905   | 0.041905   |   0.0 |  1.44
-Neigh   | 0.0063758  | 0.0063758  | 0.0063758  |   0.0 |  0.22
-Comm    | 0.027464   | 0.027464   | 0.027464   |   0.0 |  0.94
-Output  | 0.0026662  | 0.0026662  | 0.0026662  |   0.0 |  0.09
-Modify  | 2.7808     | 2.7808     | 2.7808     |   0.0 | 95.48
-Other   |            | 0.0532     |            |       |  1.83
+Pair    | 0.043031   | 0.043031   | 0.043031   |   0.0 |  1.20
+Neigh   | 0.0068874  | 0.0068874  | 0.0068874  |   0.0 |  0.19
+Comm    | 0.035111   | 0.035111   | 0.035111   |   0.0 |  0.98
+Output  | 0.0043986  | 0.0043986  | 0.0043986  |   0.0 |  0.12
+Modify  | 3.46       | 3.46       | 3.46       |   0.0 | 96.22
+Other   |            | 0.04668    |            |       |  1.30
 
 Nlocal:    14716 ave 14716 max 14716 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -266,4 +289,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:03
+Total wall time: 0:00:04
diff --git a/examples/srd/log.27Nov18.srd.mixture.g++.4 b/examples/srd/log.27Nov18.srd.mixture.g++.4
new file mode 100644
index 0000000000..835de98274
--- /dev/null
+++ b/examples/srd/log.27Nov18.srd.mixture.g++.4
@@ -0,0 +1,292 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 2d SRD test: big + small particles
+
+units		lj
+atom_style	sphere
+atom_modify	first big
+dimension	2
+
+# create big particles with sigma 1.0
+
+lattice		sq 0.4
+Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
+region		box block 0 10 0 10 -0.5 0.5
+create_box	2 box
+Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
+  2 by 2 by 1 MPI processor grid
+create_atoms	1 region box
+Created 100 atoms
+  Time spent = 0.000455379 secs
+set		type 1 mass 1.0
+  100 settings made for mass
+set		type 1 diameter 1.0
+  100 settings made for diameter
+
+group		big type 1
+100 atoms in group big
+velocity	big create 1.44 87287 loop geom
+
+# equilibrate big particles
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0
+pair_coeff	2 2 0.0 1.0 0.0
+pair_coeff	1 2 0.0 1.0 0.0
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+fix		1 big nve
+fix		2 all enforce2d
+
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.171 | 4.171 | 4.171 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         1.44     -0.54272            0      0.88288    -0.041088 
+    1000    1.8791467  -0.97185784            0    0.8884974   0.61487657 
+Loop time of 0.0164104 on 4 procs for 1000 steps with 100 atoms
+
+Performance: 26324848.583 tau/day, 60937.149 timesteps/s
+94.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0017555  | 0.0019422  | 0.0022526  |   0.4 | 11.84
+Neigh   | 0.00085735 | 0.00090593 | 0.00096583 |   0.0 |  5.52
+Comm    | 0.0088477  | 0.0094896  | 0.0098495  |   0.4 | 57.83
+Output  | 2.1935e-05 | 2.3127e-05 | 2.6226e-05 |   0.0 |  0.14
+Modify  | 0.00074744 | 0.00088817 | 0.0012014  |   0.0 |  5.41
+Other   |            | 0.003161   |            |       | 19.26
+
+Nlocal:    25 ave 26 max 23 min
+Histogram: 1 0 0 0 0 0 1 0 0 2
+Nghost:    47 ave 48 max 46 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Neighs:    114.75 ave 124 max 100 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+
+Total # of neighbors = 459
+Ave neighs/atom = 4.59
+Neighbor list builds = 129
+Dangerous builds = 0
+
+unfix		1
+unfix		2
+
+# add small particles as hi density lattice
+
+lattice		sq 0.4
+Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
+region		plane block 0 10 0 10 -0.001 0.001
+lattice		sq 85.0
+Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
+create_atoms	2 region plane
+Created 21316 atoms
+  Time spent = 0.00417233 secs
+set		type 2 mass 0.01
+  21316 settings made for mass
+set		type 2 diameter 0.0
+  21316 settings made for diameter
+
+group		small type 2
+21316 atoms in group small
+
+velocity	small create 1.0 593849 loop geom
+
+# delete overlaps
+# must set 1-2 cutoff to non-zero value
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0
+pair_coeff	2 2 0.0 1.0 0.0
+pair_coeff	1 2 0.0 1.0 0.5
+
+delete_atoms	overlap 0.5 small big
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 2
+  2 neighbor lists, perpetual/occasional/extra = 1 1 0
+  (1) command delete_atoms, occasional
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/2d
+      bin: standard
+  (2) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+WARNING: Delete_atoms cutoff > minimum neighbor cutoff (src/delete_atoms.cpp:305)
+Deleted 6700 atoms, new total = 14716
+
+# SRD run
+
+reset_timestep	0
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes
+
+comm_modify	mode multi group big vel yes
+neigh_modify	include big
+
+# no pairwise interactions with small particles
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0
+pair_coeff	2 2 0.0 1.0 0.0
+pair_coeff	1 2 0.0 1.0 0.0
+
+# use fix SRD to push small particles out from inside big ones
+
+timestep	0.001
+
+fix		1 big nve
+fix	        2 small srd 20 big 1.0 0.25 49894 		  radius 0.88 search 0.2 collision slip
+fix		3 all enforce2d
+
+# diagnostics
+
+compute		tbig big temp
+variable	pebig equal pe*atoms/count(big)
+variable	ebig equal etotal*atoms/count(big)
+thermo_style	custom step temp f_2[7] etotal v_pebig v_ebig press 		f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] 		f_2[6] f_2[8] f_2[9] f_2[10]
+
+thermo_modify	temp tbig
+WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
+thermo		100
+
+#dump		1 all atom 250 dump.srd.mixture
+
+#dump		2 all image 250 image.*.jpg type type zoom 1.6
+#dump_modify	2 pad 4 adiam 1 1 adiam 2 0.2
+
+#dump		3 all movie 250 movie.mpg type type zoom 1.6
+#dump_modify	3 pad 4 adiam 1 1 adiam 2 0.2
+
+run		5000
+SRD info:
+  SRD/big particles = 14616 100
+  big particle diameter max/min = 0.88 0.88
+  SRD temperature & lamda = 1 0.2
+  SRD max distance & max velocity = 0.8 40
+  SRD grid counts: 63 63 1
+  SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
+  SRD per actual grid cell = 4.86648
+  SRD viscosity = 0.463448
+  big/SRD mass density ratio = 2.12808
+WARNING: Fix srd grid size > 1/4 of big particle diameter (src/SRD/fix_srd.cpp:2888)
+  # of rescaled SRD velocities = 0
+  ave/max small velocity = 13.2944 24.262
+  ave/max big velocity = 1.69284 5.10989
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.8
+  ghost atom cutoff = 2.8
+  binsize = 1.4, bins = 12 12 2
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/2d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.921 | 5.925 | 5.93 Mbytes
+Step Temp f_2[7] TotEng v_pebig v_ebig Press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[8] f_2[9] f_2[10] 
+       0    1.8791467            0 0.0060376284  -0.97185784    0.8884974   0.61487657            0            0            0            0            0            0            0            0            0 
+     100    1.4044369         3969 0.0030633093  -0.93959598    0.4507966   0.78900119         7464           99           99            0           17        22500         3005     1.028131            0 
+     200    1.1569383         3969 0.0010543995  -0.99020352   0.15516543   0.50132981         7393           82           82            0           43        22500         2996     1.014347            0 
+     300   0.97802835         3969 -0.00019991154  -0.99766705 -0.029418982   0.35789515         7411           90           90            0           84        22500         3001    1.0213725            0 
+     400    1.0992982         3969 0.00055034756    -1.007316  0.080989146   0.35177983         7443           78           78            0          107        22500         2993    1.0451641            0 
+     500    1.0436705         3969 -7.4779704e-05   -1.0442384 -0.011004581   0.15132448         7504           94           94            0          141        22500         3007    1.0236992            0 
+     600    1.0216461         3969 -0.00032426678   -1.0591487 -0.047719099    0.2200765         7508          111          111            0          179        22500         3007    1.0304838            0 
+     700    1.1491339         3969 0.0012328743  -0.95621278   0.18142978   0.80670059         7448           95           95            0          201        22500         2978    1.0099113            0 
+     800    1.0332166         3969 -0.00040684239   -1.0827554 -0.059870926   0.35939225         7453          113          113            0          235        22500         3024    1.0141565            0 
+     900    1.0652211         3969 -6.1337025e-06   -1.0554715 -0.00090263566   0.51460169         7447           97           97            0          259        22500         2982    1.0192735            0 
+    1000   0.92834993         3969 -0.00067681883   -1.0186671  -0.09960066     0.738738         7328           78           78            0          286        22500         2999     1.023841            0 
+    1100    1.0386338         3969 -0.00018904027   -1.0560666 -0.027819166   0.57129719         7449           96           96            0          325        22500         3012    1.0373885            0 
+    1200   0.92218024         3969 -0.00077989365   -1.0277276  -0.11476915   0.48613467         7507          100          100            0          355        22500         3003    1.0254889            0 
+    1300    1.1835318         3969 0.00096836748   -1.0291915   0.14250496   0.62935386         7439           92           92            0          384        22500         2993    1.0289037            0 
+    1400    1.0895805         3969 0.00022072203   -1.0462033  0.032481455   0.49130771         7492           80           80            0          426        22500         3005    1.0083895            0 
+    1500    1.0713283         3969 0.00042008247  -0.99879571  0.061819337   0.63979877         7498           87           87            0          457        22500         3000    1.0009934            0 
+    1600   0.97815063         3969 -0.0005425653    -1.048213 -0.079843909    0.3604669         7533          105          105            0          492        22500         3004    1.0375508            0 
+    1700    1.1626991         3969 0.00048969595   -1.0790084  0.072063656   0.36261544         7493           87           87            0          519        22500         3014    1.0151507            0 
+    1800   0.91077627         3969 -0.0012059339   -1.0791337  -0.17746523   0.14204134         7553           77           77            0          554        22500         3001    1.0393648            0 
+    1900    1.0736324         3969 0.00048053532  -0.99218049  0.070715578   0.56468307         7660           96           96            0          579        22500         2990    1.0071005            0 
+    2000    1.0529119         3969 -0.00019827686   -1.0715612 -0.029178422   0.28111275         7561           93           93            0          630        22500         3020    1.0201426            0 
+    2100    0.9995282         3969 -0.00066769217   -1.0877905  -0.09825758   0.22578496         7488           83           83            0          671        22500         2993    1.0246877            0 
+    2200    1.1492521         3969 0.00093648659  -0.99994625   0.13781337   0.66214341         7481           97           97            0          699        22500         2999    1.0420787            0 
+    2300     1.174939         3969 0.00098605988   -1.0180811   0.14510857   0.57783443         7414           83           83            0          723        22500         2989     1.004816            0 
+    2400    1.1382223         3969 0.00050867975   -1.0519828  0.074857312   0.41119597         7601           77           77            0          754        22500         2996     1.007891            0 
+    2500   0.96793374         3969 -0.00075093709   -1.0687623   -0.1105079   0.12887172         7444           88           88            0          789        22500         2984    1.0268818            0 
+    2600    1.0064799         3969 -0.00023588466   -1.0311279 -0.034712786   0.38564304         7483           83           83            0          831        22500         3047    1.0199727            0 
+    2700    1.1198694         3969 0.00019125912    -1.080525  0.028145692   0.35649192         7372           72           72            0          863        22500         2991   0.99989809            0 
+    2800     1.130996         3969 0.00083301498  -0.99709952   0.12258648   0.76321666         7293           95           95            0          895        22500         2997    1.0077098            0 
+    2900     1.069281         3969 0.00033771134   -1.0088906  0.049697601   0.60669604         7485           86           86            0          929        22500         3004    1.0105564            0 
+    3000    1.0864905         3969 5.9065123e-05   -1.0669336 0.0086920235    0.2448914         7367           88           88            0          965        22500         3018    1.0256143            0 
+    3100    1.2930036         3969 0.0016599457    -1.035796   0.24427761    0.4417485         7502          103          103            0         1002        22500         2996    1.0207648            0 
+    3200   0.99779215         3969 0.00017970488  -0.96136886   0.02644537   0.48688189         7463           89           89            0         1040        22500         2975    1.0226074            0 
+    3300    1.1649719         3969 0.00083129956   -1.0309882   0.12233404   0.32895722         7504           92           92            0         1072        22500         2984     1.016696            0 
+    3400    1.1428122         3969 0.00094373594  -0.99250387   0.13888018   0.62272115         7519          103          103            0         1092        22500         3005    1.0177259            0 
+    3500    1.1207278         3969 0.00052216214   -1.0326791  0.076841381   0.51325294         7456           71           71            0         1127        22500         2986    1.0290334            0 
+    3600   0.97869243         3969 -0.00058219044   -1.0545807 -0.085675146   0.44258567         7321           72           72            0         1164        22500         2976     1.031506            0 
+    3700    1.0853936         3969 -4.3134698e-06   -1.0751745 -0.00063477022   0.37380213         7444           80           80            0         1194        22500         2985    1.0445746            0 
+    3800    1.0351364         3969 -0.00012682002   -1.0434479 -0.018662834   0.42474168         7503           76           76            0         1226        22500         2986    1.0260769            0 
+    3900   0.96833719         3969 -0.00039514299   -1.0168031 -0.058149242   0.42237112         7423           79           79            0         1276        22500         3014    1.0160914            0 
+    4000    1.0465724         3969 0.00016394266   -1.0119808  0.024125802   0.46524856         7502           97           97            0         1299        22500         2984    1.0159361            0 
+    4100    1.2417361         3969 0.0011421943   -1.0612334   0.16808531   0.39684717         7633           83           83            0         1328        22500         3015    1.0264492            0 
+    4200    1.0974708         3969 0.00053755453   -1.0073895  0.079106524   0.52996179         7347           86           86            0         1363        22500         3020    1.0215105            0 
+    4300    1.1082592         3969 0.00034118461   -1.0469679  0.050208728   0.40630088         7470           94           94            0         1400        22500         3012    1.0278618            0 
+    4400    1.0021274         3969 -0.00027032597   -1.0318873 -0.039781169   0.50493986         7643           77           77            0         1434        22500         3006    1.0236688            0 
+    4500   0.97643527         3969 -0.00024256014   -1.0023661  -0.03569515   0.55193268         7488           75           75            0         1476        22500         2998    1.0281645            0 
+    4600    1.0333058         3969 -9.5227766e-05   -1.0369865 -0.014013718   0.37752045         7455           86           86            0         1507        22500         3003    1.0419695            0 
+    4700    1.1320717         3969 0.00069912511   -1.0178677   0.10288325   0.42203645         7594           80           80            0         1531        22500         2989    1.0343185            0 
+    4800    1.1326193         3969 0.0010771417  -0.96278098   0.15851217   0.59591984         7504          101          101            0         1560        22500         2998    1.0182951            0 
+    4900    1.1174294         3969 0.00044360443   -1.0409743  0.065280828   0.30043772         7611           96           96            0         1590        22500         2996    1.0255445            0 
+    5000   0.93845577         3969  -0.00055722   -1.0110717 -0.082000495   0.41966034         7582           83           83            0         1632        22500         2990    1.0290121            0 
+Loop time of 1.15581 on 4 procs for 5000 steps with 14716 atoms
+
+Performance: 373763.989 tau/day, 4325.972 timesteps/s
+95.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0088997  | 0.011787   | 0.01474    |   1.9 |  1.02
+Neigh   | 0.00226    | 0.0025237  | 0.002775   |   0.4 |  0.22
+Comm    | 0.077973   | 0.084049   | 0.088172   |   1.3 |  7.27
+Output  | 0.0065994  | 0.007837   | 0.011406   |   2.3 |  0.68
+Modify  | 0.99157    | 0.99959    | 1.0146     |   0.9 | 86.48
+Other   |            | 0.05002    |            |       |  4.33
+
+Nlocal:    3679 ave 3871 max 3455 min
+Histogram: 1 0 0 0 1 0 0 1 0 1
+Nghost:    46.5 ave 49 max 43 min
+Histogram: 1 0 0 0 0 1 0 0 1 1
+Neighs:    118.25 ave 151 max 84 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+
+Total # of neighbors = 473
+Ave neighs/atom = 0.0321419
+Neighbor list builds = 250
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/srd/log.5Oct16.srd.pure.g++.1 b/examples/srd/log.27Nov18.srd.pure.g++.1
similarity index 90%
rename from examples/srd/log.5Oct16.srd.pure.g++.1
rename to examples/srd/log.27Nov18.srd.pure.g++.1
index f840d923c8..d0f53429e5 100644
--- a/examples/srd/log.5Oct16.srd.pure.g++.1
+++ b/examples/srd/log.27Nov18.srd.pure.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d SRD only test
 
 units		lj
@@ -24,6 +25,7 @@ lattice		sq 85.0
 Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
 create_atoms	1 region plane
 Created 21316 atoms
+  Time spent = 0.0160828 secs
 
 group		empty type 2
 0 atoms in group empty
@@ -71,14 +73,7 @@ SRD info:
   big/SRD mass density ratio = 0
   # of rescaled SRD velocities = 0
   ave/max all velocity = 13.2735 24.2873
-Neighbor list info ...
-  0 neighbor list requests
-  update every 1 steps, delay 1 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 15.8114 -> bins = 1 1 1
-Memory usage per processor = 5.16355 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 5.038 | 5.038 | 5.038 Mbytes
 Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6] 
        0            1            0   0.99995309        85.26            0            0            0 
      100   0.97820615         3969   0.97816026    83.401857            0            0            0 
@@ -131,20 +126,20 @@ Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6]
     4800   0.75446697         3969   0.75443157    64.325854            0            0            0 
     4900   0.75276753         3969   0.75273221    64.180959            0            0            0 
     5000   0.75113693         3969   0.75110169    64.041935            0            0            0 
-Loop time of 8.07858 on 1 procs for 5000 steps with 21316 atoms
+Loop time of 7.57583 on 1 procs for 5000 steps with 21316 atoms
 
-Performance: 1069494.899 tau/day, 618.921 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 1140469.459 tau/day, 659.994 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
 Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0.00082159 | 0.00082159 | 0.00082159 |   0.0 |  0.01
-Comm    | 0.38133    | 0.38133    | 0.38133    |   0.0 |  4.72
-Output  | 0.0034697  | 0.0034697  | 0.0034697  |   0.0 |  0.04
-Modify  | 6.265      | 6.265      | 6.265      |   0.0 | 77.55
-Other   |            | 1.428      |            |       | 17.68
+Neigh   | 0.00093412 | 0.00093412 | 0.00093412 |   0.0 |  0.01
+Comm    | 0.49229    | 0.49229    | 0.49229    |   0.0 |  6.50
+Output  | 0.004915   | 0.004915   | 0.004915   |   0.0 |  0.06
+Modify  | 5.9494     | 5.9494     | 5.9494     |   0.0 | 78.53
+Other   |            | 1.128      |            |       | 14.89
 
 Nlocal:    21316 ave 21316 max 21316 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -160,4 +155,4 @@ Dangerous builds not checked
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:08
+Total wall time: 0:00:07
diff --git a/examples/srd/log.5Oct16.srd.pure.g++.4 b/examples/srd/log.27Nov18.srd.pure.g++.4
similarity index 90%
rename from examples/srd/log.5Oct16.srd.pure.g++.4
rename to examples/srd/log.27Nov18.srd.pure.g++.4
index 3cce60cb25..82aea9a2f2 100644
--- a/examples/srd/log.5Oct16.srd.pure.g++.4
+++ b/examples/srd/log.27Nov18.srd.pure.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # 2d SRD only test
 
 units		lj
@@ -24,6 +25,7 @@ lattice		sq 85.0
 Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
 create_atoms	1 region plane
 Created 21316 atoms
+  Time spent = 0.00763822 secs
 
 group		empty type 2
 0 atoms in group empty
@@ -71,14 +73,7 @@ SRD info:
   big/SRD mass density ratio = 0
   # of rescaled SRD velocities = 0
   ave/max all velocity = 13.2735 24.2873
-Neighbor list info ...
-  0 neighbor list requests
-  update every 1 steps, delay 1 steps, check no
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 0
-  ghost atom cutoff = 0
-  binsize = 15.8114 -> bins = 1 1 1
-Memory usage per processor = 2.29814 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 2.236 | 2.241 | 2.246 Mbytes
 Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6] 
        0            1            0   0.99995309        85.26            0            0            0 
      100   0.97718565         3969   0.97713981    83.314849            0            0            0 
@@ -131,20 +126,20 @@ Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6]
     4800   0.75699084         3969   0.75695533    64.541039            0            0            0 
     4900   0.75590428         3969   0.75586882    64.448399            0            0            0 
     5000   0.75435525         3969   0.75431986    64.316328            0            0            0 
-Loop time of 2.01342 on 4 procs for 5000 steps with 21316 atoms
+Loop time of 2.63242 on 4 procs for 5000 steps with 21316 atoms
 
-Performance: 4291197.146 tau/day, 2483.332 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 3282146.784 tau/day, 1899.391 timesteps/s
+90.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
 Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0.0011518  | 0.001229   | 0.0013053  |   0.2 |  0.06
-Comm    | 0.2563     | 0.27904    | 0.2912     |   2.6 | 13.86
-Output  | 0.0022588  | 0.0023048  | 0.0024054  |   0.1 |  0.11
-Modify  | 1.3545     | 1.3589     | 1.3629     |   0.3 | 67.49
-Other   |            | 0.372      |            |       | 18.48
+Neigh   | 0.0010204  | 0.001139   | 0.001276   |   0.3 |  0.04
+Comm    | 0.48325    | 0.51859    | 0.56231    |   4.0 | 19.70
+Output  | 0.0025201  | 0.0089323  | 0.028138   |  11.7 |  0.34
+Modify  | 1.7822     | 1.8025     | 1.8257     |   1.5 | 68.47
+Other   |            | 0.3013     |            |       | 11.45
 
 Nlocal:    5329 ave 5410 max 5266 min
 Histogram: 1 0 0 2 0 0 0 0 0 1
diff --git a/examples/srd/log.5Oct16.srd.mixture.g++.4 b/examples/srd/log.5Oct16.srd.mixture.g++.4
deleted file mode 100644
index 6962f331d5..0000000000
--- a/examples/srd/log.5Oct16.srd.mixture.g++.4
+++ /dev/null
@@ -1,269 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 2d SRD test: big + small particles
-
-units		lj
-atom_style	sphere
-atom_modify	first big
-dimension	2
-
-# create big particles with sigma 1.0
-
-lattice		sq 0.4
-Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
-region		box block 0 10 0 10 -0.5 0.5
-create_box	2 box
-Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
-  2 by 2 by 1 MPI processor grid
-create_atoms	1 region box
-Created 100 atoms
-set		type 1 mass 1.0
-  100 settings made for mass
-set		type 1 diameter 1.0
-  100 settings made for diameter
-
-group		big type 1
-100 atoms in group big
-velocity	big create 1.44 87287 loop geom
-
-# equilibrate big particles
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 1.0 1.0
-pair_coeff	2 2 0.0 1.0 0.0
-pair_coeff	1 2 0.0 1.0 0.0
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-fix		1 big nve
-fix		2 all enforce2d
-
-run		1000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-Memory usage per processor = 3.60121 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         1.44     -0.54272            0      0.88288    -0.041088 
-    1000    1.8791467  -0.97185784            0    0.8884974   0.61487657 
-Loop time of 0.0114341 on 4 procs for 1000 steps with 100 atoms
-
-Performance: 37781795.071 tau/day, 87457.859 timesteps/s
-94.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.001864   | 0.0021054  | 0.0024471  |   0.5 | 18.41
-Neigh   | 0.00081182 | 0.00085837 | 0.00093675 |   0.2 |  7.51
-Comm    | 0.005461   | 0.0057024  | 0.0059059  |   0.2 | 49.87
-Output  | 1.3113e-05 | 1.3828e-05 | 1.5974e-05 |   0.0 |  0.12
-Modify  | 0.00065017 | 0.00068271 | 0.00069666 |   0.1 |  5.97
-Other   |            | 0.002071   |            |       | 18.12
-
-Nlocal:    25 ave 26 max 23 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-Nghost:    47 ave 48 max 46 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    114.75 ave 124 max 100 min
-Histogram: 1 0 0 0 0 1 0 0 0 2
-
-Total # of neighbors = 459
-Ave neighs/atom = 4.59
-Neighbor list builds = 129
-Dangerous builds = 0
-
-unfix		1
-unfix		2
-
-# add small particles as hi density lattice
-
-lattice		sq 0.4
-Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
-region		plane block 0 10 0 10 -0.001 0.001
-lattice		sq 85.0
-Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
-create_atoms	2 region plane
-Created 21316 atoms
-set		type 2 mass 0.01
-  21316 settings made for mass
-set		type 2 diameter 0.0
-  21316 settings made for diameter
-
-group		small type 2
-21316 atoms in group small
-
-velocity	small create 1.0 593849 loop geom
-
-# delete overlaps
-# must set 1-2 cutoff to non-zero value
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 1.0 1.0
-pair_coeff	2 2 0.0 1.0 0.0
-pair_coeff	1 2 0.0 1.0 0.5
-
-delete_atoms	overlap 0.5 small big
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-WARNING: Delete_atoms cutoff > minimum neighbor cutoff (../delete_atoms.cpp:278)
-Deleted 6700 atoms, new total = 14716
-
-# SRD run
-
-reset_timestep	0
-
-neighbor	0.3 bin
-neigh_modify	delay 0 every 1 check yes
-
-comm_modify	mode multi group big vel yes
-neigh_modify	include big
-
-# no pairwise interactions with small particles
-
-pair_style	lj/cut 2.5
-pair_coeff	1 1 1.0 1.0
-pair_coeff	2 2 0.0 1.0 0.0
-pair_coeff	1 2 0.0 1.0 0.0
-
-# use fix SRD to push small particles out from inside big ones
-
-timestep	0.001
-
-fix		1 big nve
-fix	        2 small srd 20 big 1.0 0.25 49894 		  radius 0.88 search 0.2 collision slip
-fix		3 all enforce2d
-
-# diagnostics
-
-compute		tbig big temp
-variable	pebig equal pe*atoms/count(big)
-variable	ebig equal etotal*atoms/count(big)
-thermo_style	custom step temp f_2[7] etotal v_pebig v_ebig press 		f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] 		f_2[6] f_2[8] f_2[9] f_2[10]
-
-thermo_modify	temp tbig
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
-thermo		100
-
-#dump		1 all atom 250 dump.srd.mixture
-
-#dump		2 all image 250 image.*.jpg type type zoom 1.6
-#dump_modify	2 pad 4 adiam 1 1 adiam 2 0.2
-
-#dump		3 all movie 250 movie.mpg type type zoom 1.6
-#dump_modify	3 pad 4 adiam 1 1 adiam 2 0.2
-
-run		5000
-SRD info:
-  SRD/big particles = 14616 100
-  big particle diameter max/min = 0.88 0.88
-  SRD temperature & lamda = 1 0.2
-  SRD max distance & max velocity = 0.8 40
-  SRD grid counts: 63 63 1
-  SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
-  SRD per actual grid cell = 4.86648
-  SRD viscosity = 0.463448
-  big/SRD mass density ratio = 2.12808
-WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2884)
-  # of rescaled SRD velocities = 0
-  ave/max small velocity = 13.2944 24.262
-  ave/max big velocity = 1.69284 5.10989
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.8
-  ghost atom cutoff = 2.8
-  binsize = 1.4 -> bins = 12 12 2
-Memory usage per processor = 5.3246 Mbytes
-Step Temp f_2[7] TotEng v_pebig v_ebig Press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[8] f_2[9] f_2[10] 
-       0    1.8791467            0 0.0060376284  -0.97185784    0.8884974   0.61487657            0            0            0            0            0            0            0            0            0 
-     100    1.4044369         3969 0.0030633093  -0.93959598    0.4507966   0.78900119         7464           99           99            0           17        22500         3005     1.028131            0 
-     200    1.1569383         3969 0.0010543995  -0.99020352   0.15516543   0.50132981         7393           82           82            0           43        22500         2996     1.014347            0 
-     300   0.97802835         3969 -0.00019991154  -0.99766705 -0.029418982   0.35789515         7411           90           90            0           84        22500         3001    1.0213725            0 
-     400    1.0992982         3969 0.00055034756    -1.007316  0.080989146   0.35177983         7443           78           78            0          107        22500         2993    1.0451641            0 
-     500    1.0436705         3969 -7.4779704e-05   -1.0442384 -0.011004581   0.15132448         7504           94           94            0          141        22500         3007    1.0236992            0 
-     600    1.0216461         3969 -0.00032426678   -1.0591487 -0.047719099    0.2200765         7508          111          111            0          179        22500         3007    1.0304838            0 
-     700    1.1491339         3969 0.0012328743  -0.95621278   0.18142978   0.80670059         7448           95           95            0          201        22500         2978    1.0099113            0 
-     800    1.0332166         3969 -0.00040684239   -1.0827554 -0.059870926   0.35939225         7453          113          113            0          235        22500         3024    1.0141565            0 
-     900    1.0652211         3969 -6.1337025e-06   -1.0554715 -0.00090263566   0.51460169         7447           97           97            0          259        22500         2982    1.0192735            0 
-    1000   0.92834993         3969 -0.00067681883   -1.0186671  -0.09960066     0.738738         7328           78           78            0          286        22500         2999     1.023841            0 
-    1100    1.0386338         3969 -0.00018904027   -1.0560666 -0.027819166   0.57129719         7449           96           96            0          325        22500         3012    1.0373885            0 
-    1200   0.92218024         3969 -0.00077989365   -1.0277276  -0.11476915   0.48613467         7507          100          100            0          355        22500         3003    1.0254889            0 
-    1300    1.1835318         3969 0.00096836748   -1.0291915   0.14250496   0.62935386         7439           92           92            0          384        22500         2993    1.0289037            0 
-    1400    1.0895805         3969 0.00022072203   -1.0462033  0.032481455   0.49130771         7492           80           80            0          426        22500         3005    1.0083895            0 
-    1500    1.0713283         3969 0.00042008247  -0.99879571  0.061819337   0.63979877         7498           87           87            0          457        22500         3000    1.0009934            0 
-    1600   0.97815063         3969 -0.0005425653    -1.048213 -0.079843909    0.3604669         7533          105          105            0          492        22500         3004    1.0375508            0 
-    1700    1.1626991         3969 0.00048969594   -1.0790084  0.072063654   0.36261544         7493           87           87            0          519        22500         3014    1.0151507            0 
-    1800   0.91077626         3969 -0.001205934   -1.0791337  -0.17746525   0.14204132         7553           77           77            0          554        22500         3001    1.0393648            0 
-    1900     1.073632         3969 0.00048053229  -0.99218055  0.070715131   0.56468311         7660           96           96            0          579        22500         2990    1.0071005            0 
-    2000    1.0516743         3969 -0.00020689596   -1.0716044  -0.03044681   0.28030578         7561           96           96            0          631        22500         3020    1.0222307            0 
-    2100     1.141885         3969 0.00040167415   -1.0713558  0.059110368   0.32604475         7569           69           69            0          662        22500         2968    1.0125404            0 
-    2200    1.2228391         3969 0.0010327668   -1.0586288   0.15198196   0.36038619         7572           86           86            0          691        22500         2979    1.0235277            0 
-    2300    1.1087892         3969 0.00043721167   -1.0333612   0.06434007   0.39699935         7512           68           68            0          716        22500         3022    1.0515275            0 
-    2400    1.0637949         3969 0.00033715078   -1.0035418  0.049615108   0.47092535         7508           82           82            0          742        22500         2997    1.0295291            0 
-    2500    1.0345185         3969 0.00023374535  -0.98977538  0.034397966   0.57463578         7514           89           89            0          778        22500         2986    1.0252443            0 
-    2600    1.1040438         3969 0.00024293233   -1.0572534  0.035749922   0.38043986         7543           82           82            0          811        22500         2995    1.0181075            0 
-    2700   0.96252159         3969 -0.00081483156    -1.072807  -0.11991061    0.2771083         7555           97           97            0          842        22500         2990    1.0125575            0 
-    2800   0.98730039         3969 -0.00037330307   -1.0323627  -0.05493528   0.57796755         7359           88           88            0          866        22500         2981    1.0187945            0 
-    2900     1.056508         3969 0.0003868833  -0.98900914  0.056933747   0.63280739         7485           84           84            0          906        22500         3009    1.0260952            0 
-    3000   0.97367876         3969 -0.0002599408   -1.0021949 -0.038252888   0.66404419         7424           99           99            0          951        22500         2998    1.0143644            0 
-    3100   0.97186052         3969 -0.00084858744     -1.08702  -0.12487813   0.33835871         7502           88           88            0          983        22500         3016    1.0292976            0 
-    3200   0.97992936         3969 -0.0006672966   -1.0683294 -0.098199368   0.45138198         7326           72           72            0         1026        22500         3005     1.023367            0 
-    3300   0.96722828         3969 -0.00034604616   -1.0084802 -0.050924152   0.58525322         7383           70           70            0         1053        22500         2986     1.034213            0 
-    3400    1.1202892         3969 0.00043227098   -1.0454733  0.063612998   0.43718189         7364           85           85            0         1087        22500         2995    1.0158362            0 
-    3500   0.79750662         3969 -0.0014948003   -1.0095064  -0.21997481   0.41132937         7511           90           90            0         1116        22500         2993    1.0182386            0 
-    3600    1.0491778         3969 -0.00010433247   -1.0540396 -0.015353567   0.42315074         7489           95           95            0         1144        22500         2999     1.020922            0 
-    3700    0.9610381         3969 -0.00021690291  -0.98334715 -0.031919432   0.55752687         7496           80           80            0         1172        22500         3019    1.0303605            0 
-    3800   0.76471906         3969 -0.0017426239   -1.0135164  -0.25644453   0.32180761         7518           89           89            0         1213        22500         3008    1.0419804            0 
-    3900     1.086591         3969 0.00018698809   -1.0482079  0.027517167   0.26073092         7462           98           98            0         1246        22500         3005    1.0261112            0 
-    4000   0.82619819         3969 -0.0014452395   -1.0306176  -0.21268144   0.14915039         7545           98           98            0         1287        22500         3008    1.0352711            0 
-    4100   0.95064219         3969 -0.00053545528   -1.0199334   -0.0787976   0.39089361         7572           85           85            0         1318        22500         3001    1.0372179            0 
-    4200   0.90370321         3969 -0.0007185822   -1.0004127  -0.10574656   0.47384816         7460           61           61            0         1355        22500         2998     1.012362            0 
-    4300   0.97729216         3969 -0.00029144098   -1.0104077 -0.042888455   0.46030155         7533           70           70            0         1388        22500         3007    1.0223284            0 
-    4400    1.0140429         3969 4.720814e-06   -1.0032078 0.00069471498   0.55984871         7501           88           88            0         1412        22500         2995    1.0285533            0 
-    4500    1.0498677         3969 0.00022703142   -1.0059591  0.033409944   0.61932234         7461           82           82            0         1442        22500         2994    1.0292131            0 
-    4600   0.90182406         3969 -0.00092157839   -1.0284253  -0.13561948   0.59198635         7499           73           73            0         1483        22500         3020    1.0159894            0 
-    4700    1.0138009         3969 -0.00028404538    -1.045463 -0.041800118   0.53428422         7407           78           78            0         1507        22500         3011    1.0058816            0 
-    4800    1.0506575         3969 -0.00043345499   -1.1039381 -0.063787236   0.30643257         7543           87           87            0         1524        22500         2995    1.0210242            0 
-    4900    1.1479137         3969 -0.00019383126   -1.1649587 -0.028524208   0.28842185         7416           91           91            0         1557        22500         2988    1.0063463            0 
-    5000    0.9092746         3969 -0.00087214131   -1.0285262  -0.12834432   0.76635862         7389           85           85            0         1589        22500         3000    1.0157079            0 
-Loop time of 0.845193 on 4 procs for 5000 steps with 14716 atoms
-
-Performance: 511125.916 tau/day, 5915.809 timesteps/s
-99.3% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0080214  | 0.010886   | 0.013055   |   1.7 |  1.29
-Neigh   | 0.0015197  | 0.0018466  | 0.002033   |   0.5 |  0.22
-Comm    | 0.058729   | 0.061718   | 0.063298   |   0.7 |  7.30
-Output  | 0.0025218  | 0.0027084  | 0.0029843  |   0.3 |  0.32
-Modify  | 0.71322    | 0.72561    | 0.73841    |   1.1 | 85.85
-Other   |            | 0.04242    |            |       |  5.02
-
-Nlocal:    3679 ave 4013 max 3459 min
-Histogram: 1 0 1 1 0 0 0 0 0 1
-Nghost:    48.25 ave 54 max 44 min
-Histogram: 1 0 1 0 0 1 0 0 0 1
-Neighs:    117 ave 136 max 87 min
-Histogram: 1 0 0 0 0 0 1 1 0 1
-
-Total # of neighbors = 468
-Ave neighs/atom = 0.0318021
-Neighbor list builds = 250
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:01
diff --git a/examples/streitz/log.5Oct16.streitz.ewald.g++.1 b/examples/streitz/log.27Nov18.streitz.ewald.g++.1
similarity index 56%
rename from examples/streitz/log.5Oct16.streitz.ewald.g++.1
rename to examples/streitz/log.27Nov18.streitz.ewald.g++.1
index 5cb643146a..2e5c9fb093 100644
--- a/examples/streitz/log.5Oct16.streitz.ewald.g++.1
+++ b/examples/streitz/log.27Nov18.streitz.ewald.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Streitz-Mintmire potential with alpha-alumina
 # option to use with Ewald or Wolf sum
 # EAM (AlO.eam.alloy) includes 1994 SM and 2004 Zhou versions
@@ -61,47 +62,62 @@ fix     	2 all nve
 
 run    		100
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.310132
   estimated absolute RMS force accuracy = 1.9688e-05
   estimated relative force accuracy = 1.36725e-06
   KSpace vectors: actual max1d max3d = 2541 11 6083
                   kxmax kymax kzmax  = 10 11 10
 Neighbor list info ...
-  3 neighbor list requests
   update every 10 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 5 4
-Memory usage per processor = 79.7925 Mbytes
+  binsize = 6.5, bins = 4 5 4
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair coul/streitz, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair eam/alloy, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) fix qeq/slater, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 102.8 | 102.8 | 102.8 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul E_long c_q1 c_q2 v_qsum Press S/CPU 
-       0          300   -6.3402658   -6.3790259   -2.7952901    10.218189   -13.801924    2.8665317   -1.9110211 2.7284841e-12   -26072.585            0 
-      10    272.45428    -6.340306   -6.3755071    -2.790294    10.191122   -13.776335    2.8636996   -1.9091331 4.5474735e-13   -21774.211    1.0024289 
-      20    219.94294   -6.3402438   -6.3686605   -2.7790335    10.192017   -13.781644    2.8638745   -1.9092497 1.3642421e-12   -16693.959    1.0737194 
-      30    179.36108   -6.3401905    -6.363364   -2.7689124    10.190565   -13.785017    2.8639191   -1.9092794 1.0004442e-11   -12974.154     1.075669 
-      40    162.68484    -6.340179   -6.3611979   -2.7652026    10.173296   -13.769291    2.8621763   -1.9081175 -3.6379788e-12   -12735.477    1.0762629 
-      50    152.76246   -6.3401898   -6.3599268   -2.7673924    10.132267   -13.724802    2.8575298   -1.9050198 6.3664629e-12   -14532.643    1.0803062 
-      60    138.38061    -6.340206   -6.3580848   -2.7714511    10.085334   -13.671967    2.8519579   -1.9013053 3.1832315e-12   -15656.278    1.0800578 
-      70     134.9572   -6.3401907   -6.3576272   -2.7740776    10.063528   -13.647077     2.849277    -1.899518 -2.7284841e-12   -14160.692    1.0792572 
-      80    161.55083   -6.3401305   -6.3610029   -2.7741365    10.086552   -13.673419    2.8520585   -1.9013723 1.8189894e-12   -9666.5838    1.0798168 
-      90    207.33012   -6.3400321   -6.3668192   -2.7713864    10.144722   -13.740155    2.8591984   -1.9061323 -3.1832315e-12   -2530.8605    1.0783069 
-     100    233.80619   -6.3399378   -6.3701456   -2.7659477    10.207141   -13.811339    2.8668083   -1.9112055 9.094947e-13     6120.857    1.0726581 
-Loop time of 93.5154 on 1 procs for 100 steps with 2160 atoms
+       0          300   -6.3402658   -6.3790259   -2.7952901    10.218189   -13.801924    2.8665317   -1.9110211 -2.7284841e-12   -26072.585            0 
+      10    272.45428    -6.340306   -6.3755071    -2.790294    10.191122   -13.776335    2.8636996   -1.9091331 -3.6379788e-12   -21774.211    1.4901869 
+      20    219.94294   -6.3402438   -6.3686605   -2.7790336    10.192017   -13.781644    2.8638745   -1.9092497 -2.7284841e-12   -16693.959    1.6439654 
+      30    179.36108   -6.3401905    -6.363364   -2.7689124    10.190565   -13.785017    2.8639191   -1.9092794 -9.094947e-13   -12974.155    1.6560994 
+      40    162.68484    -6.340179   -6.3611979   -2.7652026    10.173296   -13.769291    2.8621763   -1.9081175 3.1832315e-12   -12735.479    1.6506831 
+      50    152.76247   -6.3401898   -6.3599268   -2.7673924    10.132267   -13.724801    2.8575297   -1.9050198 -3.6379788e-12   -14532.607    1.6531952 
+      60    138.38062    -6.340206   -6.3580848   -2.7714511    10.085334   -13.671967     2.851958   -1.9013053 1.3642421e-12   -15656.298    1.6555081 
+      70     134.9572   -6.3401907   -6.3576272   -2.7740776    10.063527   -13.647077    2.8492769   -1.8995179 -2.7284841e-12   -14160.663    1.6525548 
+      80    161.55081   -6.3401305   -6.3610029   -2.7741365    10.086552   -13.673419    2.8520584   -1.9013723 -4.5474735e-13   -9666.5594    1.6525076 
+      90    207.33009   -6.3400321   -6.3668192   -2.7713864    10.144722   -13.740155    2.8591985   -1.9061323 4.0927262e-12   -2530.8853    1.6448945 
+     100    233.80619   -6.3399378   -6.3701456   -2.7659477    10.207141   -13.811339    2.8668083   -1.9112055 -4.0927262e-12    6120.8481     1.635231 
+Loop time of 61.2766 on 1 procs for 100 steps with 2160 atoms
 
-Performance: 0.037 ns/day, 649.413 hours/ns, 1.069 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.056 ns/day, 425.532 hours/ns, 1.632 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 40.681     | 40.681     | 40.681     |   0.0 | 43.50
-Kspace  | 4.9722     | 4.9722     | 4.9722     |   0.0 |  5.32
+Pair    | 22.617     | 22.617     | 22.617     |   0.0 | 36.91
+Kspace  | 5.3519     | 5.3519     | 5.3519     |   0.0 |  8.73
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.010761   | 0.010761   | 0.010761   |   0.0 |  0.01
-Output  | 0.00078893 | 0.00078893 | 0.00078893 |   0.0 |  0.00
-Modify  | 47.848     | 47.848     | 47.848     |   0.0 | 51.17
-Other   |            | 0.002154   |            |       |  0.00
+Comm    | 0.01263    | 0.01263    | 0.01263    |   0.0 |  0.02
+Output  | 0.00089216 | 0.00089216 | 0.00089216 |   0.0 |  0.00
+Modify  | 33.292     | 33.292     | 33.292     |   0.0 | 54.33
+Other   |            | 0.001862   |            |       |  0.00
 
 Nlocal:    2160 ave 2160 max 2160 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -116,4 +132,4 @@ Total # of neighbors = 2357856
 Ave neighs/atom = 1091.6
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:01:34
+Total wall time: 0:01:01
diff --git a/examples/streitz/log.5Oct16.streitz.ewald.g++.4 b/examples/streitz/log.27Nov18.streitz.ewald.g++.4
similarity index 53%
rename from examples/streitz/log.5Oct16.streitz.ewald.g++.4
rename to examples/streitz/log.27Nov18.streitz.ewald.g++.4
index 01beb3d1ba..29b5133a19 100644
--- a/examples/streitz/log.5Oct16.streitz.ewald.g++.4
+++ b/examples/streitz/log.27Nov18.streitz.ewald.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Streitz-Mintmire potential with alpha-alumina
 # option to use with Ewald or Wolf sum
 # EAM (AlO.eam.alloy) includes 1994 SM and 2004 Zhou versions
@@ -61,47 +62,62 @@ fix     	2 all nve
 
 run    		100
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:316)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.310132
   estimated absolute RMS force accuracy = 1.9688e-05
   estimated relative force accuracy = 1.36725e-06
   KSpace vectors: actual max1d max3d = 2541 11 6083
                   kxmax kymax kzmax  = 10 11 10
 Neighbor list info ...
-  3 neighbor list requests
   update every 10 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 5 4
-Memory usage per processor = 32.3255 Mbytes
+  binsize = 6.5, bins = 4 5 4
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair coul/streitz, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair eam/alloy, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) fix qeq/slater, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 38.08 | 38.08 | 38.08 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul E_long c_q1 c_q2 v_qsum Press S/CPU 
-       0          300   -6.3402658   -6.3790259   -2.7952901    10.218189   -13.801925    2.8665317   -1.9110211 4.5474735e-13     -26072.6            0 
-      10    272.45429    -6.340306   -6.3755071    -2.790294    10.191122   -13.776335    2.8636996   -1.9091331 4.5474735e-13   -21774.214    3.7998441 
-      20    219.94295   -6.3402438   -6.3686605   -2.7790335    10.192018   -13.781645    2.8638746   -1.9092497 -4.5474735e-13   -16694.015    4.0421334 
-      30    179.36109   -6.3401905    -6.363364   -2.7689124    10.190566   -13.785018    2.8639192   -1.9092795 9.094947e-13   -12974.238    4.1358956 
-      40    162.68485    -6.340179   -6.3611979   -2.7652026    10.173296   -13.769291    2.8621763   -1.9081175 -4.5474735e-13   -12735.472    4.1616104 
-      50    152.76249   -6.3401898   -6.3599268   -2.7673924    10.132267   -13.724801    2.8575297   -1.9050198 4.5474735e-13   -14532.583     4.052378 
-      60    138.38062    -6.340206   -6.3580848   -2.7714511    10.085334   -13.671968     2.851958   -1.9013053 4.5474735e-13   -15656.298    4.1601628 
-      70     134.9572   -6.3401907   -6.3576272   -2.7740776    10.063527   -13.647077    2.8492769   -1.8995179 -1.3642421e-12   -14160.655    4.1215986 
-      80    161.55082   -6.3401305   -6.3610029   -2.7741365    10.086553   -13.673419    2.8520585   -1.9013723            0   -9666.5793    4.1226863 
-      90     207.3301   -6.3400321   -6.3668192   -2.7713864    10.144722   -13.740155    2.8591985   -1.9061323            0   -2530.8682    4.1248222 
-     100    233.80619   -6.3399378   -6.3701456   -2.7659477    10.207141   -13.811339    2.8668082   -1.9112055 -4.5474735e-13    6120.8881    4.1438288 
-Loop time of 24.4873 on 4 procs for 100 steps with 2160 atoms
+       0          300   -6.3402658   -6.3790259   -2.7952901    10.218189   -13.801925    2.8665317   -1.9110211 9.094947e-13     -26072.6            0 
+      10    272.45428    -6.340306   -6.3755071    -2.790294    10.191122   -13.776335    2.8636996   -1.9091331            0   -21774.211    5.2839781 
+      20    219.94294   -6.3402438   -6.3686605   -2.7790336    10.192017   -13.781644    2.8638745   -1.9092497            0   -16693.959    6.0398147 
+      30    179.36107   -6.3401905    -6.363364   -2.7689124    10.190565   -13.785017    2.8639191   -1.9092794 -9.094947e-13   -12974.157    6.0771654 
+      40    162.68484    -6.340179   -6.3611979   -2.7652026    10.173296   -13.769291    2.8621763   -1.9081175 1.3642421e-12   -12735.472    5.9101566 
+      50    152.76247   -6.3401898   -6.3599268   -2.7673924    10.132267   -13.724801    2.8575297   -1.9050198 -9.094947e-13   -14532.603    6.1598264 
+      60    138.38062    -6.340206   -6.3580848   -2.7714511    10.085334   -13.671967    2.8519579   -1.9013053 -9.094947e-13   -15656.287    6.0492678 
+      70    134.95719   -6.3401907   -6.3576272   -2.7740777    10.063528   -13.647077    2.8492769    -1.899518 4.5474735e-13   -14160.677    5.8316321 
+      80    161.55082   -6.3401305   -6.3610029   -2.7741365    10.086552   -13.673419    2.8520584   -1.9013723 4.5474735e-13   -9666.5672    6.0547326 
+      90    207.33012   -6.3400321   -6.3668192   -2.7713864    10.144722   -13.740155    2.8591984   -1.9061323 4.5474735e-13   -2530.8639    6.1225844 
+     100    233.80623   -6.3399378   -6.3701456   -2.7659477    10.207141   -13.811338    2.8668082   -1.9112055 -4.5474735e-13    6120.8845    5.8372987 
+Loop time of 16.8751 on 4 procs for 100 steps with 2160 atoms
 
-Performance: 0.141 ns/day, 170.051 hours/ns, 4.084 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.205 ns/day, 117.188 hours/ns, 5.926 timesteps/s
+98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 10.566     | 10.569     | 10.572     |   0.1 | 43.16
-Kspace  | 1.2451     | 1.2531     | 1.2593     |   0.5 |  5.12
+Pair    | 6.0459     | 6.0553     | 6.0662     |   0.3 | 35.88
+Kspace  | 1.4116     | 1.4188     | 1.4243     |   0.4 |  8.41
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.032611   | 0.037556   | 0.042452   |   1.8 |  0.15
-Output  | 0.00079513 | 0.00084209 | 0.00089383 |   0.1 |  0.00
-Modify  | 12.626     | 12.626     | 12.626     |   0.0 | 51.56
-Other   |            | 0.001517   |            |       |  0.01
+Comm    | 0.052984   | 0.057914   | 0.062647   |   1.8 |  0.34
+Output  | 0.00076938 | 0.0010375  | 0.0018225  |   1.4 |  0.01
+Modify  | 9.3406     | 9.3408     | 9.341      |   0.0 | 55.35
+Other   |            | 0.001289   |            |       |  0.01
 
 Nlocal:    540 ave 540 max 540 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -116,4 +132,4 @@ Total # of neighbors = 2357856
 Ave neighs/atom = 1091.6
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:24
+Total wall time: 0:00:17
diff --git a/examples/streitz/log.5Oct16.streitz.wolf.g++.1 b/examples/streitz/log.27Nov18.streitz.wolf.g++.1
similarity index 55%
rename from examples/streitz/log.5Oct16.streitz.wolf.g++.1
rename to examples/streitz/log.27Nov18.streitz.wolf.g++.1
index b7f091e834..200113e6df 100644
--- a/examples/streitz/log.5Oct16.streitz.wolf.g++.1
+++ b/examples/streitz/log.27Nov18.streitz.wolf.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Streitz-Mintmire potential with alpha-alumina
 # option to use with Ewald or Wolf sum
 # EAM (AlO.eam.alloy) includes 1994 SM and 2004 Zhou versions
@@ -61,39 +62,54 @@ fix     	2 all nve
 
 run    		100
 Neighbor list info ...
-  3 neighbor list requests
   update every 10 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 5 4
-Memory usage per processor = 43.8231 Mbytes
+  binsize = 6.5, bins = 4 5 4
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair coul/streitz, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair eam/alloy, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) fix qeq/slater, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 66.79 | 66.79 | 66.79 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul E_long c_q1 c_q2 v_qsum Press S/CPU 
-       0          300   -6.3403863   -6.3791464   -2.7952901   -3.5838563            0    2.8665317   -1.9110211 2.7284841e-12   -25874.942            0 
-      10    272.66671   -6.3403993    -6.375628   -2.7902909   -3.5853371            0    2.8636914   -1.9091276 -5.9117156e-12   -21564.556   0.81612507 
-      20    220.54622   -6.3402616   -6.3687562   -2.7790072    -3.589749            0     2.863852   -1.9092346 -2.7284841e-12   -16449.483   0.86358366 
-      30    180.22122   -6.3401053     -6.36339    -2.768798   -3.5945919            0    2.8639472   -1.9092981 -4.0927262e-12   -12688.515   0.86365801 
-      40    163.64074   -6.3399908   -6.3611332   -2.7648763   -3.5962569            0    2.8623043   -1.9082029 5.9117156e-12   -12334.208     0.863544 
-      50    153.73808   -6.3399173   -6.3597803   -2.7667004   -3.5930799            0    2.8578231   -1.9052154 -1.3642421e-12   -13908.747   0.86145214 
-      60     139.1264   -6.3398818    -6.357857   -2.7702921   -3.5875649            0    2.8524119   -1.9016079 -2.7284841e-12   -14717.564   0.86116198 
-      70    134.93296   -6.3398533   -6.3572867   -2.7724725   -3.5848142            0     2.849924   -1.8999493 4.5474735e-13   -12982.145   0.86628367 
-      80     160.3429   -6.3398152   -6.3605315   -2.7722306   -3.5883009            0    2.8528608   -1.9019072 9.094947e-13   -8388.9494   0.86398157 
-      90    205.15419   -6.3397713   -6.3662773   -2.7693832    -3.596894            0    2.8599384   -1.9066256 -9.094947e-13   -1208.0269   0.86058046 
-     100    231.50843    -6.339741    -6.369652   -2.7640167   -3.6056353            0    2.8675277   -1.9116851 -1.8189894e-12    7331.3742   0.85974026 
-Loop time of 116.581 on 1 procs for 100 steps with 2160 atoms
+       0          300   -6.3403863   -6.3791464   -2.7952901   -3.5838563            0    2.8665317   -1.9110211 -2.7284841e-12   -25874.942            0 
+      10    272.66671   -6.3403993    -6.375628   -2.7902909   -3.5853371            0    2.8636914   -1.9091276 4.5474735e-12   -21564.553     1.428018 
+      20    220.54623   -6.3402616   -6.3687562   -2.7790072    -3.589749            0     2.863852   -1.9092346 -6.8212103e-12   -16449.483    1.5873243 
+      30    180.22122   -6.3401053     -6.36339    -2.768798   -3.5945919            0    2.8639472   -1.9092981 9.094947e-13   -12688.517    1.5892821 
+      40    163.64074   -6.3399908   -6.3611332   -2.7648763   -3.5962569            0    2.8623043   -1.9082029 2.2737368e-12    -12334.25    1.5885841 
+      50    153.73807   -6.3399173   -6.3597803   -2.7667004   -3.5930799            0    2.8578231   -1.9052154 1.3642421e-12   -13908.751    1.5780942 
+      60     139.1264   -6.3398818    -6.357857   -2.7702921   -3.5875649            0    2.8524119   -1.9016079 1.3642421e-12   -14717.538    1.5868676 
+      70    134.93296   -6.3398533   -6.3572867   -2.7724725   -3.5848142            0     2.849924   -1.8999493 -4.5474735e-13   -12982.184     1.589379 
+      80    160.34289   -6.3398152   -6.3605315   -2.7722306   -3.5883009            0    2.8528608   -1.9019072 -3.1832315e-12   -8388.9485    1.5812201 
+      90    205.15422   -6.3397713   -6.3662773   -2.7693832    -3.596894            0    2.8599386   -1.9066257 -4.0927262e-12   -1208.1523     1.580384 
+     100    231.50846    -6.339741    -6.369652   -2.7640167   -3.6056353            0    2.8675277   -1.9116851 -3.6379788e-12     7331.391    1.5711353 
+Loop time of 63.8366 on 1 procs for 100 steps with 2160 atoms
 
-Performance: 0.030 ns/day, 809.593 hours/ns, 0.858 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.054 ns/day, 443.310 hours/ns, 1.567 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 68.334     | 68.334     | 68.334     |   0.0 | 58.61
+Pair    | 30.658     | 30.658     | 30.658     |   0.0 | 48.03
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.010072   | 0.010072   | 0.010072   |   0.0 |  0.01
-Output  | 0.00077605 | 0.00077605 | 0.00077605 |   0.0 |  0.00
-Modify  | 48.234     | 48.234     | 48.234     |   0.0 | 41.37
-Other   |            | 0.002206   |            |       |  0.00
+Comm    | 0.012245   | 0.012245   | 0.012245   |   0.0 |  0.02
+Output  | 0.00091052 | 0.00091052 | 0.00091052 |   0.0 |  0.00
+Modify  | 33.164     | 33.164     | 33.164     |   0.0 | 51.95
+Other   |            | 0.001392   |            |       |  0.00
 
 Nlocal:    2160 ave 2160 max 2160 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -108,4 +124,4 @@ Total # of neighbors = 2357856
 Ave neighs/atom = 1091.6
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:01:57
+Total wall time: 0:01:04
diff --git a/examples/streitz/log.5Oct16.streitz.wolf.g++.4 b/examples/streitz/log.27Nov18.streitz.wolf.g++.4
similarity index 57%
rename from examples/streitz/log.5Oct16.streitz.wolf.g++.4
rename to examples/streitz/log.27Nov18.streitz.wolf.g++.4
index 0d44412e9b..2629e864dd 100644
--- a/examples/streitz/log.5Oct16.streitz.wolf.g++.4
+++ b/examples/streitz/log.27Nov18.streitz.wolf.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Streitz-Mintmire potential with alpha-alumina
 # option to use with Ewald or Wolf sum
 # EAM (AlO.eam.alloy) includes 1994 SM and 2004 Zhou versions
@@ -61,39 +62,54 @@ fix     	2 all nve
 
 run    		100
 Neighbor list info ...
-  3 neighbor list requests
   update every 10 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 13
   ghost atom cutoff = 13
-  binsize = 6.5 -> bins = 4 5 4
-Memory usage per processor = 13.9811 Mbytes
+  binsize = 6.5, bins = 4 5 4
+  3 neighbor lists, perpetual/occasional/extra = 3 0 0
+  (1) pair coul/streitz, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair eam/alloy, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+  (3) fix qeq/slater, perpetual, copy from (1)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 19.73 | 19.73 | 19.73 Mbytes
 Step Temp TotEng PotEng E_vdwl E_coul E_long c_q1 c_q2 v_qsum Press S/CPU 
-       0          300   -6.3403863   -6.3791464   -2.7952901   -3.5838563            0    2.8665317   -1.9110211 4.5474735e-13   -25874.956            0 
-      10    272.66671   -6.3403993    -6.375628   -2.7902909   -3.5853371            0    2.8636914   -1.9091276 -1.3642421e-12   -21564.555    3.1498495 
-      20    220.54623   -6.3402616   -6.3687562   -2.7790072    -3.589749            0     2.863852   -1.9092346 -1.3642421e-12   -16449.483    3.2884449 
-      30    180.22123   -6.3401053     -6.36339    -2.768798   -3.5945919            0    2.8639472   -1.9092981 1.3642421e-12   -12688.521    3.3407498 
-      40    163.64074   -6.3399908   -6.3611332   -2.7648763   -3.5962569            0    2.8623043   -1.9082029 -9.094947e-13   -12334.216    3.2513632 
-      50    153.73807   -6.3399173   -6.3597803   -2.7667004   -3.5930799            0    2.8578231   -1.9052154 4.5474735e-13   -13908.735    3.2545821 
-      60    139.12639   -6.3398818    -6.357857   -2.7702921   -3.5875649            0    2.8524119    -1.901608            0   -14717.582    3.3020584 
-      70    134.93296   -6.3398533   -6.3572867   -2.7724725   -3.5848142            0     2.849924   -1.8999493 -4.5474735e-13   -12982.152    3.3300311 
-      80     160.3429   -6.3398152   -6.3605315   -2.7722306   -3.5883009            0    2.8528608   -1.9019072 -4.5474735e-13   -8388.9691    3.3716067 
-      90    205.15418   -6.3397713   -6.3662773   -2.7693832    -3.596894            0    2.8599384   -1.9066256 -1.3642421e-12   -1208.0315    3.2650044 
-     100    231.50843    -6.339741    -6.369652   -2.7640167   -3.6056353            0    2.8675276   -1.9116851            0    7331.4547    3.2807764 
-Loop time of 30.4655 on 4 procs for 100 steps with 2160 atoms
+       0          300   -6.3403863   -6.3791464   -2.7952901   -3.5838563            0    2.8665317   -1.9110211 9.094947e-13   -25874.957            0 
+      10    272.66672   -6.3403993    -6.375628   -2.7902909   -3.5853371            0    2.8636914   -1.9091276 -2.2737368e-12   -21564.553    5.2615137 
+      20    220.54623   -6.3402616   -6.3687562   -2.7790072    -3.589749            0     2.863852   -1.9092346 9.094947e-13   -16449.483    5.6907174 
+      30    180.22123   -6.3401053     -6.36339    -2.768798   -3.5945919            0    2.8639472   -1.9092981 4.5474735e-13   -12688.521    5.8240034 
+      40    163.64074   -6.3399908   -6.3611332   -2.7648763   -3.5962569            0    2.8623043   -1.9082029            0   -12334.214    5.7924103 
+      50    153.73807   -6.3399173   -6.3597803   -2.7667004   -3.5930799            0    2.8578231   -1.9052154 -2.7284841e-12   -13908.738    5.5609047 
+      60    139.12639   -6.3398818    -6.357857   -2.7702921   -3.5875649            0    2.8524119   -1.9016079 9.094947e-13   -14717.539    5.8733718 
+      70    134.93296   -6.3398533   -6.3572867   -2.7724725   -3.5848142            0    2.8499241   -1.8999494 -4.5474735e-13   -12982.215    5.8723225 
+      80     160.3429   -6.3398152   -6.3605315   -2.7722306   -3.5883009            0    2.8528607   -1.9019071            0   -8388.8771    5.6759992 
+      90    205.15422   -6.3397713   -6.3662773   -2.7693832    -3.596894            0    2.8599384   -1.9066256            0   -1208.0057    5.8210112 
+     100    231.50845    -6.339741    -6.369652   -2.7640167   -3.6056353            0    2.8675277   -1.9116851 -4.5474735e-13    7331.3767    5.8173821 
+Loop time of 17.5038 on 4 procs for 100 steps with 2160 atoms
 
-Performance: 0.113 ns/day, 211.566 hours/ns, 3.282 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.197 ns/day, 121.554 hours/ns, 5.713 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 17.774     | 17.778     | 17.783     |   0.1 | 58.35
+Pair    | 8.2231     | 8.2312     | 8.2384     |   0.2 | 47.02
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.033262   | 0.037797   | 0.041712   |   1.9 |  0.12
-Output  | 0.0010474  | 0.0010778  | 0.0011182  |   0.1 |  0.00
-Modify  | 12.647     | 12.647     | 12.647     |   0.0 | 41.51
-Other   |            | 0.001517   |            |       |  0.00
+Comm    | 0.040039   | 0.046999   | 0.055306   |   2.5 |  0.27
+Output  | 0.00074816 | 0.00099862 | 0.0017352  |   0.0 |  0.01
+Modify  | 9.2234     | 9.2236     | 9.2237     |   0.0 | 52.69
+Other   |            | 0.001126   |            |       |  0.01
 
 Nlocal:    540 ave 540 max 540 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -108,4 +124,4 @@ Total # of neighbors = 2357856
 Ave neighs/atom = 1091.6
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:30
+Total wall time: 0:00:17
diff --git a/examples/threebody/BNC.tersoff b/examples/threebody/BNC.tersoff
deleted file mode 100644
index 1630062524..0000000000
--- a/examples/threebody/BNC.tersoff
+++ /dev/null
@@ -1,74 +0,0 @@
-# DATE: 2013-03-21 CONTRIBUTOR: Cem Sevik CITATION: Kinaci, Haskins, Sevik and Cagin,  Phys Rev B, 86, 115410 (2012) 
-# Tersoff parameters for B, C, and BN-C hybrid based graphene like nano structures
-# multiple entries can be added to this file, LAMMPS reads the ones it needs
-
-# these entries are in LAMMPS "metal" units:
-#   A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
-#   other quantities are unitless
-
-# Cem Sevik (csevik at anadolu.edu.tr) takes full blame for this
-# file.  It specifies B-N, B-C, and N-C interaction parameters 
-# generated and published by the reseacrh group of Prof. Tahir Cagin.
-
-# 1. Physical Review B 84, 085409 2011
-#    Characterization of thermal transport in low-dimensional boron nitride nanostructures, 
-#
-
-# 2. Physical Review B 86, 075403 2012
-#    Influence of disorder on thermal transport properties of boron nitride nanostructures
-#
-
-# 3. Physical Review B 86, 075403 2012, Please see for further information about B-C and N-C parameters
-#    Thermal conductivity of BN-C nanostructures
-#
-
-# The file also specifies C-C, interaction parameters 
-# generated and published by the reseacrh group of Dr. D. A. Broido
-# Physical Review B 81, 205441 2010
-# Optimized Tersoff and Brenner empirical potential parameters for 
-# lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
-
-# Users in referring the full parameters can cite the full parameter paper (3) as:
-#      A. Kinaci, J. B. Haskins, C. Sevik, T. Cagin,  Physical Review B 86, 115410 (2012) 
-#      Thermal conductivity of BN-C nanostructures
-#
-
-# format of a single entry (one or more lines):
-#   element 1, element 2, element 3,
-#   m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
-
-N      B       B         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0
-N      B       N         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0    
-N      B       C         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0
-
-B      N       B         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0
-B      N       N         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0    
-B      N       C         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751   1.25724e-7      2.199        340.00          1.95    0.05    3.568       1380.0
-
-N      N       B         3.0 1.0 0.0 17.7959  5.9484  0.00000 0.6184432 0.019251        2.6272721    138.77866       2.0     0.1     2.8293093    128.86866
-N      N       N         3.0 1.0 0.0 17.7959  5.9484  0.00000 0.6184432 0.019251        2.6272721    138.77866       2.0     0.1     2.8293093    128.86866
-N      N       C         3.0 1.0 0.0 17.7959  5.9484  0.00000 0.6184432 0.019251        2.6272721    138.77866       2.0     0.1     2.8293093    128.86866
-
-B      B       B         3.0 1.0 0.0 0.52629  0.001587  0.5    3.9929061  1.6e-6     2.0774982    43.132016       2.0     0.1     2.2372578   40.0520156
-B      B       N         3.0 1.0 0.0 0.52629  0.001587  0.5    3.9929061  1.6e-6     2.0774982    43.132016       2.0     0.1     2.2372578   40.0520156
-B      B       C         3.0 1.0 0.0 0.52629  0.001587  0.5    3.9929061  1.6e-6     2.0774982    43.132016       2.0     0.1     2.2372578   40.0520156
-
-C      C       C         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2119  430.00    1.95    0.15   3.4879  1393.6
-C      C       B         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2119  430.00    1.95    0.15   3.4879  1393.6
-C      C       N         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2119  430.00    1.95    0.15   3.4879  1393.6
-
-C      B       B         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  339.068910     1.95    0.10   3.5279  1386.78
-C      B       N         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  339.068910     1.95    0.10   3.5279  1386.78
-C      B       C         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  339.068910     1.95    0.10   3.5279  1386.78
-
-C      N       B         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  387.575152     1.95    0.10   3.5279  1386.78
-C      N       N         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  387.575152     1.95    0.10   3.5279  1386.78
-C      N       C         3.0 1.0 0.0 3.8049e4 4.3484 -0.93000 0.72751 1.5724e-7  2.2054  387.575152     1.95    0.10   3.5279  1386.78
-
-B      C       C         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  339.068910     1.95    0.10   3.5279  1386.78
-B      C       B         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  339.068910     1.95    0.10   3.5279  1386.78
-B      C       N         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  339.068910     1.95    0.10   3.5279  1386.78
-
-N      C       C         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  387.575152     1.95    0.10   3.5279  1386.78
-N      C       B         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  387.575152     1.95    0.10   3.5279  1386.78
-N      C       N         3.0 1.0 0.0 25000    4.3484 -0.89000 0.72751 1.25724e-7 2.2054  387.575152     1.95    0.10   3.5279  1386.78
diff --git a/examples/threebody/BNC.tersoff b/examples/threebody/BNC.tersoff
new file mode 120000
index 0000000000..4b27d18160
--- /dev/null
+++ b/examples/threebody/BNC.tersoff
@@ -0,0 +1 @@
+../../potentials/BNC.tersoff
\ No newline at end of file
diff --git a/examples/threebody/CdTeZnSeHgS0.sw b/examples/threebody/CdTeZnSeHgS0.sw
deleted file mode 100644
index d6f05d41df..0000000000
--- a/examples/threebody/CdTeZnSeHgS0.sw
+++ /dev/null
@@ -1,233 +0,0 @@
-### DATE: 2013-08-09 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, CITATION: Zhou, Ward, Martin, van Swol, Cruz-Campa, and D. Zubia, Phys. Rev. B, 88, 085309 (2013).
-#
-# Note that the way the parameters can be entered is not unique.
-# As one way, we assume that eps_ijk is equal to eps_ik and
-# lambda_ijk is equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/eps_ik,
-# and all other parameters in the ijk line are for ik.
-#
-# The twobody ik pair parameters are entered on the i*k lines, where *
-# can be any species. This is consistent with the LAMMPS requirement
-# that twobody ik parameters be defined on the ikk line. Entries on all
-# the other i*k lines are ignored by LAMMPS
-#  
-# These entries are in LAMMPS "metal" units: epsilon = eV;
-# sigma = Angstroms; other quantities are unitless
-#
-# cutoff distance = 4.632
-#               eps          sigma            a            lambda          gamma       cos(theta)         A              B              p              q             tol
-Cd Cd Cd   1.182358e+00   2.663951e+00   1.527956e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Cd Te   1.385284e+00   2.352141e+00   1.810919e+00   3.002537e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Cd Zn   6.908179e-01   2.238699e+00   1.812616e+00   4.251831e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Cd Se   1.352371e+00   2.045165e+00   1.953387e+00   3.038855e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Cd Hg   4.881231e-01   2.432694e+00   1.677987e+00   5.058167e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Cd S   1.300376e+00   1.804151e+00   2.124568e+00   3.099013e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te Cd   1.182358e+00   2.663951e+00   1.527956e+00   3.517858e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te Te   1.385284e+00   2.352141e+00   1.810919e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te Zn   6.908179e-01   2.238699e+00   1.812616e+00   4.602259e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te Se   1.352371e+00   2.045165e+00   1.953387e+00   3.289311e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te Hg   4.881231e-01   2.432694e+00   1.677987e+00   5.475051e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Te S   1.300376e+00   1.804151e+00   2.124568e+00   3.354428e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn Cd   1.182358e+00   2.663951e+00   1.527956e+00   2.484224e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn Te   1.385284e+00   2.352141e+00   1.810919e+00   2.295069e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn Zn   6.908179e-01   2.238699e+00   1.812616e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn Se   1.352371e+00   2.045165e+00   1.953387e+00   2.322829e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn Hg   4.881231e-01   2.432694e+00   1.677987e+00   3.866344e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Zn S   1.300376e+00   1.804151e+00   2.124568e+00   2.368813e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se Cd   1.182358e+00   2.663951e+00   1.527956e+00   3.475816e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se Te   1.385284e+00   2.352141e+00   1.810919e+00   3.211159e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se Zn   6.908179e-01   2.238699e+00   1.812616e+00   4.547256e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se Se   1.352371e+00   2.045165e+00   1.953387e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se Hg   4.881231e-01   2.432694e+00   1.677987e+00   5.409618e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Se S   1.300376e+00   1.804151e+00   2.124568e+00   3.314338e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg Cd   1.182358e+00   2.663951e+00   1.527956e+00   2.088207e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg Te   1.385284e+00   2.352141e+00   1.810919e+00   1.929206e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg Zn   6.908179e-01   2.238699e+00   1.812616e+00   2.731909e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg Se   1.352371e+00   2.045165e+00   1.953387e+00   1.952541e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg Hg   4.881231e-01   2.432694e+00   1.677987e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd Hg S   1.300376e+00   1.804151e+00   2.124568e+00   1.991194e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S Cd   1.182358e+00   2.663951e+00   1.527956e+00   3.408343e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.674460e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S Te   1.385284e+00   2.352141e+00   1.810919e+00   3.148823e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S Zn   6.908179e-01   2.238699e+00   1.812616e+00   4.458985e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S Se   1.352371e+00   2.045165e+00   1.953387e+00   3.186911e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S Hg   4.881231e-01   2.432694e+00   1.677987e+00   5.304605e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Cd S S   1.300376e+00   1.804151e+00   2.124568e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd Te   1.849775e+00   2.905254e+00   1.594353e+00   2.812506e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd Zn   1.546239e+00   2.056363e+00   1.907922e+00   3.076200e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd Se   1.295053e+00   2.231716e+00   1.809645e+00   3.361313e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd Hg   1.204715e+00   2.135591e+00   1.892491e+00   3.485063e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Cd S   1.450015e+00   2.297301e+00   1.726905e+00   3.176630e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.755548e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te Te   1.849775e+00   2.905254e+00   1.594353e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te Zn   1.546239e+00   2.056363e+00   1.907922e+00   3.554713e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te Se   1.295053e+00   2.231716e+00   1.809645e+00   3.884177e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te Hg   1.204715e+00   2.135591e+00   1.892491e+00   4.027176e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Te S   1.450015e+00   2.297301e+00   1.726905e+00   3.670765e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.433620e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn Te   1.849775e+00   2.905254e+00   1.594353e+00   2.971408e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn Zn   1.546239e+00   2.056363e+00   1.907922e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn Se   1.295053e+00   2.231716e+00   1.809645e+00   3.551222e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn Hg   1.204715e+00   2.135591e+00   1.892491e+00   3.681964e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Zn S   1.450015e+00   2.297301e+00   1.726905e+00   3.356105e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.142373e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se Te   1.849775e+00   2.905254e+00   1.594353e+00   2.719366e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se Zn   1.546239e+00   2.056363e+00   1.907922e+00   2.974328e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se Se   1.295053e+00   2.231716e+00   1.809645e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se Hg   1.204715e+00   2.135591e+00   1.892491e+00   3.369652e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Se S   1.450015e+00   2.297301e+00   1.726905e+00   3.071433e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.030791e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg Te   1.849775e+00   2.905254e+00   1.594353e+00   2.622805e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg Zn   1.546239e+00   2.056363e+00   1.907922e+00   2.868714e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg Se   1.295053e+00   2.231716e+00   1.809645e+00   3.134597e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg Hg   1.204715e+00   2.135591e+00   1.892491e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te Hg S   1.450015e+00   2.297301e+00   1.726905e+00   2.962370e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te S Cd   1.385284e+00   2.352141e+00   1.810919e+00   3.325065e+01   1.200000e+00  -3.333333e-01   7.049600e+00   8.861252e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te S Te   1.849775e+00   2.905254e+00   1.594353e+00   2.877465e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.307283e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Te S Zn   1.546239e+00   2.056363e+00   1.907922e+00   3.147250e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te S Se   1.295053e+00   2.231716e+00   1.809645e+00   3.438949e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te S Hg   1.204715e+00   2.135591e+00   1.892491e+00   3.565557e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Te S S   1.450015e+00   2.297301e+00   1.726905e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd Cd   6.908179e-01   2.238699e+00   1.812616e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd Te   1.546239e+00   2.056363e+00   1.907922e+00   2.172335e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd Zn   1.392961e+00   2.367650e+00   1.525521e+00   2.288736e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd Se   1.691181e+00   2.028827e+00   1.836907e+00   2.077161e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd Hg   4.951616e-01   2.239186e+00   1.761363e+00   3.838766e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Cd S   2.208390e+00   2.323783e+00   1.589241e+00   1.817721e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te Cd   6.908179e-01   2.238699e+00   1.812616e+00   4.862279e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te Te   1.546239e+00   2.056363e+00   1.907922e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te Zn   1.392961e+00   2.367650e+00   1.525521e+00   3.424146e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te Se   1.691181e+00   2.028827e+00   1.836907e+00   3.107611e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te Hg   4.951616e-01   2.239186e+00   1.761363e+00   5.743124e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Te S   2.208390e+00   2.323783e+00   1.589241e+00   2.719467e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn Cd   6.908179e-01   2.238699e+00   1.812616e+00   4.614993e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn Te   1.546239e+00   2.056363e+00   1.907922e+00   3.084711e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn Zn   1.392961e+00   2.367650e+00   1.525521e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn Se   1.691181e+00   2.028827e+00   1.836907e+00   2.949563e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn Hg   4.951616e-01   2.239186e+00   1.761363e+00   5.451040e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Zn S   2.208390e+00   2.323783e+00   1.589241e+00   2.581160e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se Cd   6.908179e-01   2.238699e+00   1.812616e+00   5.085067e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se Te   1.546239e+00   2.056363e+00   1.907922e+00   3.398914e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se Zn   1.392961e+00   2.367650e+00   1.525521e+00   3.581039e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se Se   1.691181e+00   2.028827e+00   1.836907e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se Hg   4.951616e-01   2.239186e+00   1.761363e+00   6.006272e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Se S   2.208390e+00   2.323783e+00   1.589241e+00   2.844072e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg Cd   6.908179e-01   2.238699e+00   1.812616e+00   2.751535e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg Te   1.546239e+00   2.056363e+00   1.907922e+00   1.839156e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg Zn   1.392961e+00   2.367650e+00   1.525521e+00   1.937704e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg Se   1.691181e+00   2.028827e+00   1.836907e+00   1.758578e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg Hg   4.951616e-01   2.239186e+00   1.761363e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn Hg S   2.208390e+00   2.323783e+00   1.589241e+00   1.538930e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S Cd   6.908179e-01   2.238699e+00   1.812616e+00   5.810847e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.010632e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S Te   1.546239e+00   2.056363e+00   1.907922e+00   3.884033e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.255846e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S Zn   1.392961e+00   2.367650e+00   1.525521e+00   4.092153e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.676279e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S Se   1.691181e+00   2.028827e+00   1.836907e+00   3.713865e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S Hg   4.951616e-01   2.239186e+00   1.761363e+00   6.863534e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Zn S S   2.208390e+00   2.323783e+00   1.589241e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd Cd   1.352371e+00   2.045165e+00   1.953387e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd Te   1.295053e+00   2.231716e+00   1.809645e+00   3.321142e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd Zn   1.691181e+00   2.028827e+00   1.836907e+00   2.906271e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd Se   2.400781e+00   2.789002e+00   1.544925e+00   2.439242e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd Hg   1.299758e+00   2.113406e+00   1.831821e+00   3.315126e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Cd S   1.307592e+00   2.229392e+00   1.747782e+00   3.305180e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te Cd   1.352371e+00   2.045165e+00   1.953387e+00   3.180382e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te Te   1.295053e+00   2.231716e+00   1.809645e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te Zn   1.691181e+00   2.028827e+00   1.836907e+00   2.844016e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te Se   2.400781e+00   2.789002e+00   1.544925e+00   2.386992e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te Hg   1.299758e+00   2.113406e+00   1.831821e+00   3.244113e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Te S   1.307592e+00   2.229392e+00   1.747782e+00   3.234380e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn Cd   1.352371e+00   2.045165e+00   1.953387e+00   3.634382e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn Te   1.295053e+00   2.231716e+00   1.809645e+00   3.713938e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn Zn   1.691181e+00   2.028827e+00   1.836907e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn Se   2.400781e+00   2.789002e+00   1.544925e+00   2.727735e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn Hg   1.299758e+00   2.113406e+00   1.831821e+00   3.707211e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Zn S   1.307592e+00   2.229392e+00   1.747782e+00   3.696088e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se Cd   1.352371e+00   2.045165e+00   1.953387e+00   4.330238e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se Te   1.295053e+00   2.231716e+00   1.809645e+00   4.425026e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se Zn   1.691181e+00   2.028827e+00   1.836907e+00   3.872260e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se Se   2.400781e+00   2.789002e+00   1.544925e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se Hg   1.299758e+00   2.113406e+00   1.831821e+00   4.417011e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Se S   1.307592e+00   2.229392e+00   1.747782e+00   4.403758e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg Cd   1.352371e+00   2.045165e+00   1.953387e+00   3.186153e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg Te   1.295053e+00   2.231716e+00   1.809645e+00   3.255898e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg Zn   1.691181e+00   2.028827e+00   1.836907e+00   2.849177e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg Se   2.400781e+00   2.789002e+00   1.544925e+00   2.391323e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg Hg   1.299758e+00   2.113406e+00   1.831821e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se Hg S   1.307592e+00   2.229392e+00   1.747782e+00   3.240249e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se S Cd   1.352371e+00   2.045165e+00   1.953387e+00   3.195742e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.116149e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se S Te   1.295053e+00   2.231716e+00   1.809645e+00   3.265696e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.005396e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se S Zn   1.691181e+00   2.028827e+00   1.836907e+00   2.857751e+01   1.200000e+00  -3.333333e-01   7.049600e+00   9.510930e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se S Se   2.400781e+00   2.789002e+00   1.544925e+00   2.398520e+01   1.200000e+00  -3.333333e-01   7.917000e+00   7.672131e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Se S Hg   1.299758e+00   2.113406e+00   1.831821e+00   3.259780e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Se S S   1.307592e+00   2.229392e+00   1.747782e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd Cd   4.881231e-01   2.432694e+00   1.677987e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd Te   1.204715e+00   2.135591e+00   1.892491e+00   2.068740e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd Zn   4.951616e-01   2.239186e+00   1.761363e+00   3.226819e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd Se   1.299758e+00   2.113406e+00   1.831821e+00   1.991668e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd Hg   1.272807e+00   2.699097e+00   1.498503e+00   2.012643e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Cd S   1.531211e+00   2.025045e+00   1.833708e+00   1.834976e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te Cd   4.881231e-01   2.432694e+00   1.677987e+00   5.105765e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te Te   1.204715e+00   2.135591e+00   1.892491e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te Zn   4.951616e-01   2.239186e+00   1.761363e+00   5.069347e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te Se   1.299758e+00   2.113406e+00   1.831821e+00   3.128919e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te Hg   1.272807e+00   2.699097e+00   1.498503e+00   3.161872e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Te S   1.531211e+00   2.025045e+00   1.833708e+00   2.882756e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn Cd   4.881231e-01   2.432694e+00   1.677987e+00   3.273348e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn Te   1.204715e+00   2.135591e+00   1.892491e+00   2.083602e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn Zn   4.951616e-01   2.239186e+00   1.761363e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn Se   1.299758e+00   2.113406e+00   1.831821e+00   2.005976e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn Hg   1.272807e+00   2.699097e+00   1.498503e+00   2.027102e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Zn S   1.531211e+00   2.025045e+00   1.833708e+00   1.848159e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se Cd   4.881231e-01   2.432694e+00   1.677987e+00   5.303345e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se Te   1.204715e+00   2.135591e+00   1.892491e+00   3.375766e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se Zn   4.951616e-01   2.239186e+00   1.761363e+00   5.265518e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se Se   1.299758e+00   2.113406e+00   1.831821e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se Hg   1.272807e+00   2.699097e+00   1.498503e+00   3.284228e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Se S   1.531211e+00   2.025045e+00   1.833708e+00   2.994311e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg Cd   4.881231e-01   2.432694e+00   1.677987e+00   5.248074e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg Te   1.204715e+00   2.135591e+00   1.892491e+00   3.340584e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg Zn   4.951616e-01   2.239186e+00   1.761363e+00   5.210641e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg Se   1.299758e+00   2.113406e+00   1.831821e+00   3.216129e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg Hg   1.272807e+00   2.699097e+00   1.498503e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg Hg S   1.531211e+00   2.025045e+00   1.833708e+00   2.963105e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S Cd   4.881231e-01   2.432694e+00   1.677987e+00   5.756205e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.250999e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S Te   1.204715e+00   2.135591e+00   1.892491e+00   3.664028e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.445180e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S Zn   4.951616e-01   2.239186e+00   1.761363e+00   5.715148e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.461167e-01   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S Se   1.299758e+00   2.113406e+00   1.831821e+00   3.527522e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.150200e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S Hg   1.272807e+00   2.699097e+00   1.498503e+00   3.564673e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.211532e+00   4.000000e+00   0.000000e+00   0.000000e+00
-Hg S S   1.531211e+00   2.025045e+00   1.833708e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd Cd   1.300376e+00   1.804151e+00   2.124568e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd Te   1.450015e+00   2.297301e+00   1.726905e+00   3.077737e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd Zn   2.208390e+00   2.323783e+00   1.589241e+00   2.493905e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd Se   1.307592e+00   2.229392e+00   1.747782e+00   3.241019e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd Hg   1.531211e+00   2.025045e+00   1.833708e+00   2.995023e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Cd S   2.434871e+00   2.423171e+00   1.711097e+00   2.375088e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Te Cd   1.300376e+00   1.804151e+00   2.124568e+00   3.431904e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Te Te   1.450015e+00   2.297301e+00   1.726905e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Te Zn   2.208390e+00   2.323783e+00   1.589241e+00   2.633490e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Te Se   1.307592e+00   2.229392e+00   1.747782e+00   3.422421e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Te Hg   1.531211e+00   2.025045e+00   1.833708e+00   3.162656e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Te S   2.434871e+00   2.423171e+00   1.711097e+00   2.508023e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn Cd   1.300376e+00   1.804151e+00   2.124568e+00   4.235326e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn Te   1.450015e+00   2.297301e+00   1.726905e+00   4.010837e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn Zn   2.208390e+00   2.323783e+00   1.589241e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn Se   1.307592e+00   2.229392e+00   1.747782e+00   4.223622e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn Hg   1.531211e+00   2.025045e+00   1.833708e+00   3.903046e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Zn S   2.434871e+00   2.423171e+00   1.711097e+00   3.095161e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Se Cd   1.300376e+00   1.804151e+00   2.124568e+00   3.259006e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Se Te   1.450015e+00   2.297301e+00   1.726905e+00   3.086266e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Se Zn   2.208390e+00   2.323783e+00   1.589241e+00   2.500815e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Se Se   1.307592e+00   2.229392e+00   1.747782e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Se Hg   1.531211e+00   2.025045e+00   1.833708e+00   3.003322e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Se S   2.434871e+00   2.423171e+00   1.711097e+00   2.381670e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg Cd   1.300376e+00   1.804151e+00   2.124568e+00   3.526684e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg Te   1.450015e+00   2.297301e+00   1.726905e+00   3.339756e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg Zn   2.208390e+00   2.323783e+00   1.589241e+00   2.706220e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg Se   1.307592e+00   2.229392e+00   1.747782e+00   3.516939e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg Hg   1.531211e+00   2.025045e+00   1.833708e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S Hg S   2.434871e+00   2.423171e+00   1.711097e+00   2.577288e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S S Cd   1.300376e+00   1.804151e+00   2.124568e+00   4.447203e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.540087e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S S Te   1.450015e+00   2.297301e+00   1.726905e+00   4.211484e+01   1.200000e+00  -3.333333e-01   7.049600e+00   7.794685e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S S Zn   2.208390e+00   2.323783e+00   1.589241e+00   3.412585e+01   1.200000e+00  -3.333333e-01   7.049600e+00   4.643181e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S S Se   1.307592e+00   2.229392e+00   1.747782e+00   4.434914e+01   1.200000e+00  -3.333333e-01   7.049600e+00   6.932325e-01   4.000000e+00   0.000000e+00   0.000000e+00
-S S Hg   1.531211e+00   2.025045e+00   1.833708e+00   4.098300e+01   1.200000e+00  -3.333333e-01   7.049600e+00   1.184541e+00   4.000000e+00   0.000000e+00   0.000000e+00
-S S S   2.434871e+00   2.423171e+00   1.711097e+00   3.250000e+01   1.200000e+00  -3.333333e-01   7.917000e+00   1.049688e+00   4.000000e+00   0.000000e+00   0.000000e+00
diff --git a/examples/threebody/InP.vashishta b/examples/threebody/InP.vashishta
deleted file mode 100644
index 9fefd4ef19..0000000000
--- a/examples/threebody/InP.vashishta
+++ /dev/null
@@ -1,38 +0,0 @@
-# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002
-#
-# Vashishta potential file for InP, Branicio, Rino, Gan and Tsuzuki, 
-# J. Phys Condensed Matter 21 (2009) 095002
-#
-# These entries are in LAMMPS "metal" units:
-#   H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge); 
-#   lambda1, lambda4, rc, r0, gamma = Angstroms; 
-#   D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV; 
-#   other quantities are unitless
-
-# element1  element2  element3
-#           H  eta  Zi  Zj  lambda1  D  lambda4
-#           W  rc  B  gamma  r0  C  cos(theta)
-
-In  In  In  273.584  7  -1.21  -1.21  4.5  0.0  2.75
-            0.0  6.0  0.0  0.0  0.0  0.0  0.0
-
-P   P   P   1813.06  7  1.21  1.21  4.5  52.7067  2.75
-            0.0  6.0  0.0  0.0  0.0  0.0  -0.333333333333
-
-In  P   P   4847.09  9  1.21  -1.21  4.5  26.3533  2.75
-            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
-
-P   In  In  4847.09  9  1.21  -1.21  4.5  26.3533  2.75
-            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
-
-In  In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-In  P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-P   In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-P   P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
diff --git a/examples/threebody/InP.vashishta b/examples/threebody/InP.vashishta
new file mode 120000
index 0000000000..61b3b88359
--- /dev/null
+++ b/examples/threebody/InP.vashishta
@@ -0,0 +1 @@
+../../potentials/InP.vashishta
\ No newline at end of file
diff --git a/examples/threebody/Si.tersoff.mod b/examples/threebody/Si.tersoff.mod
new file mode 120000
index 0000000000..668f7c83f1
--- /dev/null
+++ b/examples/threebody/Si.tersoff.mod
@@ -0,0 +1 @@
+../../potentials/Si.tersoff.mod
\ No newline at end of file
diff --git a/examples/threebody/Si.tersoff.modc b/examples/threebody/Si.tersoff.modc
new file mode 120000
index 0000000000..eaf8b6e3ab
--- /dev/null
+++ b/examples/threebody/Si.tersoff.modc
@@ -0,0 +1 @@
+../../potentials/Si.tersoff.modc
\ No newline at end of file
diff --git a/examples/threebody/in.threebody b/examples/threebody/in.threebody
index db11bfec4c..a030523901 100644
--- a/examples/threebody/in.threebody
+++ b/examples/threebody/in.threebody
@@ -134,7 +134,7 @@ run             100
 
 clear
 read_restart	restart.equil
-
+newton on on
 pair_style      tersoff/mod/c
 pair_coeff 	* * Si.tersoff.modc Si Si Si Si Si Si Si Si
 
diff --git a/examples/threebody/log.27Nov18.threebody.g++.1 b/examples/threebody/log.27Nov18.threebody.g++.1
new file mode 100644
index 0000000000..71a0e2369c
--- /dev/null
+++ b/examples/threebody/log.27Nov18.threebody.g++.1
@@ -0,0 +1,524 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple regression tests for threebody potentials
+
+# NOTE: These are not intended to represent real materials
+
+units           metal
+
+atom_style      atomic
+atom_modify     map array
+boundary        p p p
+atom_modify	sort 0 0.0
+
+# temperature
+
+variable t equal 1800.0
+
+# cubic diamond unit cell
+
+variable a equal 5.431
+lattice         custom $a                               a1 1.0 0.0 0.0                          a2 0.0 1.0 0.0                          a3 0.0 0.0 1.0                          basis 0.0 0.0 0.0                       basis 0.0 0.5 0.5                       basis 0.5 0.0 0.5                       basis 0.5 0.5 0.0                       basis 0.25 0.25 0.25                    basis 0.25 0.75 0.75                    basis 0.75 0.25 0.75                    basis 0.75 0.75 0.25
+lattice         custom 5.431                               a1 1.0 0.0 0.0                          a2 0.0 1.0 0.0                          a3 0.0 0.0 1.0                          basis 0.0 0.0 0.0                       basis 0.0 0.5 0.5                       basis 0.5 0.0 0.5                       basis 0.5 0.5 0.0                       basis 0.25 0.25 0.25                    basis 0.25 0.75 0.75                    basis 0.75 0.25 0.75                    basis 0.75 0.75 0.25
+Lattice spacing in x,y,z = 5.431 5.431 5.431
+
+region          myreg block     0 4                                 0 4                                 0 4
+
+create_box      8 myreg
+Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 region myreg 		basis 1 1  		basis 2 2  		basis 3 3  		basis 4 4  		basis 5 5  		basis 6 6  		basis 7 7  		basis 8 8
+Created 512 atoms
+  Time spent = 0.000483751 secs
+
+mass            *       28.06
+
+velocity 	all create $t 5287287 mom yes rot yes dist gaussian
+velocity 	all create 1800 5287287 mom yes rot yes dist gaussian
+
+# Equilibrate using Stillinger-Weber model for silicon
+
+pair_style      sw
+pair_coeff 	* * Si.sw Si Si Si Si Si Si Si Si
+Reading potential file Si.sw with DATE: 2007-06-11
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.77118
+  ghost atom cutoff = 4.77118
+  binsize = 2.38559, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.982 | 2.982 | 2.982 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         1800   -2220.3392            0   -2101.4457    12358.626 
+      10    993.48824   -2166.8749            0   -2101.3265    14121.853 
+      20    587.90768   -2139.6876            0   -2101.3093    11864.886 
+      30    1030.8616   -2167.8446            0   -2101.3947    6649.2566 
+      40    724.62874   -2145.9637            0   -2101.3436    5859.6447 
+      50     490.9053   -2129.5491            0   -2101.3077    6326.5434 
+      60    960.24533    -2159.427            0   -2101.3794    5733.9889 
+      70    906.76518   -2154.3675            0   -2101.3496    8380.4834 
+      80     800.7253   -2146.0714            0   -2101.3113    11515.737 
+      90    1249.2719   -2173.9445            0   -2101.3818    11593.728 
+     100    1080.3797   -2160.6174            0   -2101.3445    12414.602 
+Loop time of 0.129171 on 1 procs for 100 steps with 512 atoms
+
+Performance: 66.888 ns/day, 0.359 hours/ns, 774.165 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.12468    | 0.12468    | 0.12468    |   0.0 | 96.52
+Neigh   | 0.0017159  | 0.0017159  | 0.0017159  |   0.0 |  1.33
+Comm    | 0.00088573 | 0.00088573 | 0.00088573 |   0.0 |  0.69
+Output  | 0.00011206 | 0.00011206 | 0.00011206 |   0.0 |  0.09
+Modify  | 0.0014365  | 0.0014365  | 0.0014365  |   0.0 |  1.11
+Other   |            | 0.0003417  |            |       |  0.26
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1017 ave 1017 max 1017 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  14044 ave 14044 max 14044 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 14044
+Ave neighs/atom = 27.4297
+Neighbor list builds = 2
+Dangerous builds = 0
+
+write_restart	restart.equil
+
+# Test Stillinger-Weber model for Cd/Te/Zn/Se/Hg/S
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      sw
+pair_coeff 	* * CdTeZnSeHgS0.sw Cd Zn Hg Cd Te S Se Te
+Reading potential file CdTeZnSeHgS0.sw with DATE: 2013-08-09
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.632
+  ghost atom cutoff = 5.632
+  binsize = 2.816, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.758 | 2.758 | 2.758 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1080.3797   -621.93681            0   -562.66385    464005.01 
+     110    1512.4547   -648.51133            0   -562.74194    463733.24 
+     120    1959.7565   -675.18668            0    -562.8255    486580.33 
+     130    1138.5498   -618.80419            0    -562.6427    515406.41 
+     140    1827.3403   -662.43867            0   -562.78985       485719 
+     150    1822.9803   -659.56725            0   -562.76627    465652.59 
+     160    1128.3444   -611.92808            0   -562.65512    469836.33 
+     170    1699.6402   -647.82381            0   -562.75353    467977.54 
+     180     1840.047    -654.5552            0   -562.77005    488397.41 
+     190    1312.0974   -617.70228            0    -562.6629    510856.48 
+     200    1809.8409    -648.6173            0   -562.75377    490822.97 
+Loop time of 0.399255 on 1 procs for 100 steps with 512 atoms
+
+Performance: 21.640 ns/day, 1.109 hours/ns, 250.467 timesteps/s
+99.2% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.38979    | 0.38979    | 0.38979    |   0.0 | 97.63
+Neigh   | 0.0061283  | 0.0061283  | 0.0061283  |   0.0 |  1.53
+Comm    | 0.0013483  | 0.0013483  | 0.0013483  |   0.0 |  0.34
+Output  | 0.00016642 | 0.00016642 | 0.00016642 |   0.0 |  0.04
+Modify  | 0.0014937  | 0.0014937  | 0.0014937  |   0.0 |  0.37
+Other   |            | 0.0003231  |            |       |  0.08
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1386 ave 1386 max 1386 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  17388 ave 17388 max 17388 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 17388
+Ave neighs/atom = 33.9609
+Neighbor list builds = 5
+Dangerous builds = 0
+
+# Test Vashishta model for In/P
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      vashishta
+pair_coeff 	* * InP.vashishta In In In In P P P P
+Reading potential file InP.vashishta with DATE: 2015-10-14
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7
+  ghost atom cutoff = 7
+  binsize = 3.5, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.783 | 2.783 | 2.783 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1080.3797   -1491.8652            0   -1432.5922    358930.65 
+     110    1299.3069    -1504.494            0   -1432.6803    347566.41 
+     120    1396.3035   -1508.3817            0    -1432.672    336798.42 
+     130    1055.9254   -1483.8342            0   -1432.5849    341035.18 
+     140    1543.9033   -1513.8559            0   -1432.6931    314268.54 
+     150    1242.5383    -1491.417            0   -1432.6036    311068.53 
+     160    1240.1733   -1489.2495            0   -1432.6033    295776.98 
+     170    1559.5037    -1507.824            0   -1432.6417    266170.25 
+     180    1379.0358   -1493.4092            0   -1432.5869    251410.63 
+     190    1465.8073   -1496.8564            0   -1432.6105    226461.31 
+     200    1456.6383   -1493.8133            0   -1432.5852    208188.34 
+Loop time of 0.198058 on 1 procs for 100 steps with 512 atoms
+
+Performance: 43.624 ns/day, 0.550 hours/ns, 504.903 timesteps/s
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.18746    | 0.18746    | 0.18746    |   0.0 | 94.65
+Neigh   | 0.00688    | 0.00688    | 0.00688    |   0.0 |  3.47
+Comm    | 0.001718   | 0.001718   | 0.001718   |   0.0 |  0.87
+Output  | 0.00013351 | 0.00013351 | 0.00013351 |   0.0 |  0.07
+Modify  | 0.0015109  | 0.0015109  | 0.0015109  |   0.0 |  0.76
+Other   |            | 0.0003531  |            |       |  0.18
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1810 ave 1810 max 1810 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  36480 ave 36480 max 36480 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 36480
+Ave neighs/atom = 71.25
+Neighbor list builds = 4
+Dangerous builds = 0
+
+# Test Tersoff model for B/N/C
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+variable	fac equal 0.6
+change_box 	all x scale ${fac} y scale ${fac} z scale ${fac} remap
+change_box 	all x scale 0.6 y scale ${fac} z scale ${fac} remap
+change_box 	all x scale 0.6 y scale 0.6 z scale ${fac} remap
+change_box 	all x scale 0.6 y scale 0.6 z scale 0.6 remap
+  orthogonal box = (4.3448 0 0) to (17.3792 21.724 21.724)
+  orthogonal box = (4.3448 4.3448 0) to (17.3792 17.3792 21.724)
+  orthogonal box = (4.3448 4.3448 4.3448) to (17.3792 17.3792 17.3792)
+
+pair_style      tersoff
+pair_coeff 	* * BNC.tersoff N N N C B B C B
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.1
+  ghost atom cutoff = 3.1
+  binsize = 1.55, bins = 9 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.74 | 2.74 | 2.74 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1080.3797   -3249.8451            0   -3190.5722    1925371.8 
+     110    1878.2843   -3300.7205            0   -3191.0964    1893058.6 
+     120    1153.8494   -3250.2114            0   -3190.5436    1932141.4 
+     130    1363.8664   -3261.6889            0   -3190.6116    1902268.1 
+     140    1565.5505   -3273.0405            0   -3190.6982      1878817 
+     150    1416.9458   -3261.1805            0    -3190.865    1916554.4 
+     160    1288.6997   -3249.8279            0   -3190.4141    1933227.4 
+     170    1768.3043   -3279.2164            0   -3190.4535    1898123.4 
+     180    1375.1942   -3251.0929            0   -3190.3781    1896205.1 
+     190    1527.0671   -3258.7679            0   -3190.4344    1900673.6 
+     200    1586.8691   -3260.4713            0    -3190.434    1912454.8 
+Loop time of 0.210082 on 1 procs for 100 steps with 512 atoms
+
+Performance: 41.127 ns/day, 0.584 hours/ns, 476.006 timesteps/s
+98.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.20628    | 0.20628    | 0.20628    |   0.0 | 98.19
+Neigh   | 0.00099182 | 0.00099182 | 0.00099182 |   0.0 |  0.47
+Comm    | 0.00085139 | 0.00085139 | 0.00085139 |   0.0 |  0.41
+Output  | 0.00013494 | 0.00013494 | 0.00013494 |   0.0 |  0.06
+Modify  | 0.0014665  | 0.0014665  | 0.0014665  |   0.0 |  0.70
+Other   |            | 0.0003612  |            |       |  0.17
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1027 ave 1027 max 1027 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  14602 ave 14602 max 14602 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 14602
+Ave neighs/atom = 28.5195
+Neighbor list builds = 1
+Dangerous builds = 0
+
+# Test Tersoff/Mod model for Si
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      tersoff/mod
+pair_coeff 	* * Si.tersoff.mod Si Si Si Si Si Si Si Si
+Reading potential file Si.tersoff.mod with DATE: 2013-07-26
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff/mod, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.744 | 2.744 | 2.744 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1080.3797   -2307.5808            0   -2248.3078     18624.75 
+     110    851.21757   -2290.7529            0   -2248.2817     21041.97 
+     120    1074.6349   -2303.6437            0    -2248.321    15244.809 
+     130    1006.5662   -2296.9866            0   -2248.3057     15954.09 
+     140    855.64354   -2285.1581            0   -2248.2781    19346.662 
+     150    1111.1546    -2300.024            0    -2248.314    14698.998 
+     160    1114.7933   -2297.8629            0   -2248.3098     14414.14 
+     170     853.9568   -2278.6047            0   -2248.2716    20120.632 
+     180    1031.0925   -2288.3481            0   -2248.2949    18332.008 
+     190    1230.3458   -2298.9946            0   -2248.3111    15520.302 
+     200    1053.8799   -2284.8931            0   -2248.2816    20033.536 
+Loop time of 0.158428 on 1 procs for 100 steps with 512 atoms
+
+Performance: 54.536 ns/day, 0.440 hours/ns, 631.200 timesteps/s
+99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.15318    | 0.15318    | 0.15318    |   0.0 | 96.69
+Neigh   | 0.0022631  | 0.0022631  | 0.0022631  |   0.0 |  1.43
+Comm    | 0.00093651 | 0.00093651 | 0.00093651 |   0.0 |  0.59
+Output  | 0.00019622 | 0.00019622 | 0.00019622 |   0.0 |  0.12
+Modify  | 0.0015035  | 0.0015035  | 0.0015035  |   0.0 |  0.95
+Other   |            | 0.0003462  |            |       |  0.22
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1001 ave 1001 max 1001 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  8872 ave 8872 max 8872 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8872
+Ave neighs/atom = 17.3281
+Neighbor list builds = 3
+Dangerous builds = 0
+
+# Test Tersoff/Mod/C model for Si
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 1 by 1 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+newton on on
+pair_style      tersoff/mod/c
+pair_coeff 	* * Si.tersoff.modc Si Si Si Si Si Si Si Si
+Reading potential file Si.tersoff.modc with DATE: 2016-11-09
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.20569
+  ghost atom cutoff = 4.20569
+  binsize = 2.10285, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff/mod/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.739 | 2.739 | 2.739 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1080.3797   -2307.5509            0   -2248.2779     21368.36 
+     110    846.70637   -2290.4239            0   -2248.2488     22856.37 
+     120    1083.0906   -2304.1686            0   -2248.2895    17530.457 
+     130    1008.7015   -2297.0835            0   -2248.2781    17698.498 
+     140    811.71413   -2282.2528            0   -2248.2417    19986.737 
+     150    1094.4969   -2298.9718            0   -2248.2836    15822.967 
+     160    1100.1109   -2296.9461            0   -2248.2804     15213.75 
+     170    801.20165   -2275.2175            0   -2248.2372    20153.957 
+     180    994.63485   -2286.1145            0   -2248.2621    19167.021 
+     190    1215.6425   -2298.2082            0    -2248.284    15895.654 
+     200    992.20385   -2281.0372            0   -2248.2425    19643.792 
+Loop time of 0.282035 on 1 procs for 100 steps with 512 atoms
+
+Performance: 30.634 ns/day, 0.783 hours/ns, 354.565 timesteps/s
+98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.27701    | 0.27701    | 0.27701    |   0.0 | 98.22
+Neigh   | 0.0021927  | 0.0021927  | 0.0021927  |   0.0 |  0.78
+Comm    | 0.00089169 | 0.00089169 | 0.00089169 |   0.0 |  0.32
+Output  | 0.0001452  | 0.0001452  | 0.0001452  |   0.0 |  0.05
+Modify  | 0.0014682  | 0.0014682  | 0.0014682  |   0.0 |  0.52
+Other   |            | 0.0003295  |            |       |  0.12
+
+Nlocal:    512 ave 512 max 512 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    972 ave 972 max 972 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  8390 ave 8390 max 8390 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 8390
+Ave neighs/atom = 16.3867
+Neighbor list builds = 3
+Dangerous builds = 0
+
+Total wall time: 0:00:01
diff --git a/examples/threebody/log.27Nov18.threebody.g++.4 b/examples/threebody/log.27Nov18.threebody.g++.4
new file mode 100644
index 0000000000..429fc4fb9d
--- /dev/null
+++ b/examples/threebody/log.27Nov18.threebody.g++.4
@@ -0,0 +1,524 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Simple regression tests for threebody potentials
+
+# NOTE: These are not intended to represent real materials
+
+units           metal
+
+atom_style      atomic
+atom_modify     map array
+boundary        p p p
+atom_modify	sort 0 0.0
+
+# temperature
+
+variable t equal 1800.0
+
+# cubic diamond unit cell
+
+variable a equal 5.431
+lattice         custom $a                               a1 1.0 0.0 0.0                          a2 0.0 1.0 0.0                          a3 0.0 0.0 1.0                          basis 0.0 0.0 0.0                       basis 0.0 0.5 0.5                       basis 0.5 0.0 0.5                       basis 0.5 0.5 0.0                       basis 0.25 0.25 0.25                    basis 0.25 0.75 0.75                    basis 0.75 0.25 0.75                    basis 0.75 0.75 0.25
+lattice         custom 5.431                               a1 1.0 0.0 0.0                          a2 0.0 1.0 0.0                          a3 0.0 0.0 1.0                          basis 0.0 0.0 0.0                       basis 0.0 0.5 0.5                       basis 0.5 0.0 0.5                       basis 0.5 0.5 0.0                       basis 0.25 0.25 0.25                    basis 0.25 0.75 0.75                    basis 0.75 0.25 0.75                    basis 0.75 0.75 0.25
+Lattice spacing in x,y,z = 5.431 5.431 5.431
+
+region          myreg block     0 4                                 0 4                                 0 4
+
+create_box      8 myreg
+Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 region myreg 		basis 1 1  		basis 2 2  		basis 3 3  		basis 4 4  		basis 5 5  		basis 6 6  		basis 7 7  		basis 8 8
+Created 512 atoms
+  Time spent = 0.000348091 secs
+
+mass            *       28.06
+
+velocity 	all create $t 5287287 mom yes rot yes dist gaussian
+velocity 	all create 1800 5287287 mom yes rot yes dist gaussian
+
+# Equilibrate using Stillinger-Weber model for silicon
+
+pair_style      sw
+pair_coeff 	* * Si.sw Si Si Si Si Si Si Si Si
+Reading potential file Si.sw with DATE: 2007-06-11
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.77118
+  ghost atom cutoff = 4.77118
+  binsize = 2.38559, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.957 | 2.957 | 2.957 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0         1800   -2220.3392            0   -2101.4457    12358.626 
+      10    979.93888   -2165.9769            0   -2101.3242    14172.134 
+      20     579.6159   -2139.1412            0   -2101.3085    11866.038 
+      30    1027.5223   -2167.6187            0   -2101.3942    6885.6751 
+      40    711.03138   -2145.0665            0   -2101.3405    6357.0866 
+      50    497.18304   -2129.9748            0   -2101.3052    7137.6093 
+      60     1008.411   -2162.5834            0   -2101.3804    6745.1775 
+      70    947.58674   -2156.9872            0   -2101.3508    9678.1622 
+      80    798.43683   -2145.8382            0   -2101.3074    12728.694 
+      90    1259.2065   -2174.5324            0   -2101.3799    12033.395 
+     100    1100.5203   -2161.8599            0   -2101.3468    12356.137 
+Loop time of 0.0414283 on 4 procs for 100 steps with 512 atoms
+
+Performance: 208.553 ns/day, 0.115 hours/ns, 2413.811 timesteps/s
+95.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.030011   | 0.032047   | 0.034036   |   0.8 | 77.36
+Neigh   | 0.00043392 | 0.00045151 | 0.0004642  |   0.0 |  1.09
+Comm    | 0.0050831  | 0.0067263  | 0.0091536  |   1.8 | 16.24
+Output  | 0.00018191 | 0.00018775 | 0.00020432 |   0.0 |  0.45
+Modify  | 0.00068116 | 0.0010136  | 0.001817   |   1.5 |  2.45
+Other   |            | 0.001002   |            |       |  2.42
+
+Nlocal:    128 ave 132 max 126 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    525 ave 527 max 521 min
+Histogram: 1 0 0 0 0 0 0 0 2 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  3507 ave 3596 max 3470 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 14028
+Ave neighs/atom = 27.3984
+Neighbor list builds = 2
+Dangerous builds = 0
+
+write_restart	restart.equil
+
+# Test Stillinger-Weber model for Cd/Te/Zn/Se/Hg/S
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      sw
+pair_coeff 	* * CdTeZnSeHgS0.sw Cd Zn Hg Cd Te S Se Te
+Reading potential file CdTeZnSeHgS0.sw with DATE: 2013-08-09
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 5.632
+  ghost atom cutoff = 5.632
+  binsize = 2.816, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair sw, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.717 | 2.718 | 2.718 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1100.5203   -621.61663            0   -561.10352     462716.2 
+     110    1478.2708   -644.61282            0   -561.16927    464567.29 
+     120    1989.4577    -675.5312            0   -561.25985    486476.63 
+     130    1185.4652   -620.23829            0   -561.09359    514103.86 
+     140    1726.9774   -654.21952            0   -561.20676    488915.22 
+     150    1863.2061   -660.66167            0   -561.21416    466985.15 
+     160    1119.0313   -609.68409            0   -561.08624    471511.61 
+     170    1708.2653   -646.79823            0   -561.18829    468697.42 
+     180    1891.8451   -656.32585            0    -561.2042    489912.65 
+     190    1345.7703   -618.29258            0   -561.09909    512364.68 
+     200    1865.9507   -650.72167            0   -561.19281    491531.23 
+Loop time of 0.117532 on 4 procs for 100 steps with 512 atoms
+
+Performance: 73.512 ns/day, 0.326 hours/ns, 850.834 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.096347   | 0.10005    | 0.10244    |   0.8 | 85.13
+Neigh   | 0.000947   | 0.0010053  | 0.0011535  |   0.3 |  0.86
+Comm    | 0.0098422  | 0.012949   | 0.016335   |   2.2 | 11.02
+Output  | 0.00017452 | 0.00022596 | 0.00037885 |   0.0 |  0.19
+Modify  | 0.00078702 | 0.0013881  | 0.0021975  |   1.6 |  1.18
+Other   |            | 0.001909   |            |       |  1.62
+
+Nlocal:    128 ave 133 max 125 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+Nghost:    754.5 ave 759 max 748 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  4353 ave 4512 max 4252 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+
+Total # of neighbors = 17412
+Ave neighs/atom = 34.0078
+Neighbor list builds = 3
+Dangerous builds = 0
+
+# Test Vashishta model for In/P
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      vashishta
+pair_coeff 	* * InP.vashishta In In In In P P P P
+Reading potential file InP.vashishta with DATE: 2015-10-14
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 7
+  ghost atom cutoff = 7
+  binsize = 3.5, bins = 7 7 7
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.739 | 2.739 | 2.739 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1100.5203   -1495.2135            0   -1434.7004    357102.51 
+     110    1238.7371   -1502.5372            0   -1434.7528    348870.19 
+     120     1409.575   -1511.3137            0   -1434.7612     336831.6 
+     130     1081.541   -1487.5554            0   -1434.6881    339244.71 
+     140    1484.7455   -1512.0076            0   -1434.7646    313026.51 
+     150    1263.0321    -1494.834            0   -1434.7018    306496.02 
+     160    1253.4363   -1492.1804            0   -1434.7025    290683.01 
+     170    1536.7348   -1508.3735            0   -1434.7312    261755.69 
+     180    1342.0478   -1493.0615            0   -1434.6754    248519.54 
+     190     1457.921   -1498.4355            0   -1434.6991    223607.39 
+     200    1499.5384   -1498.7005            0   -1434.6898    204647.17 
+Loop time of 0.060006 on 4 procs for 100 steps with 512 atoms
+
+Performance: 143.986 ns/day, 0.167 hours/ns, 1666.501 timesteps/s
+95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.043862   | 0.047754   | 0.04964    |   1.0 | 79.58
+Neigh   | 0.0018079  | 0.0018883  | 0.0019724  |   0.1 |  3.15
+Comm    | 0.0067413  | 0.0083464  | 0.011978   |   2.3 | 13.91
+Output  | 0.00018859 | 0.00029892 | 0.00062919 |   0.0 |  0.50
+Modify  | 0.00088429 | 0.0011829  | 0.0014911  |   0.8 |  1.97
+Other   |            | 0.0005357  |            |       |  0.89
+
+Nlocal:    128 ave 129 max 127 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    992.75 ave 1001 max 987 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  9116 ave 9213 max 9051 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+
+Total # of neighbors = 36464
+Ave neighs/atom = 71.2188
+Neighbor list builds = 4
+Dangerous builds = 0
+
+# Test Tersoff model for B/N/C
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+variable	fac equal 0.6
+change_box 	all x scale ${fac} y scale ${fac} z scale ${fac} remap
+change_box 	all x scale 0.6 y scale ${fac} z scale ${fac} remap
+change_box 	all x scale 0.6 y scale 0.6 z scale ${fac} remap
+change_box 	all x scale 0.6 y scale 0.6 z scale 0.6 remap
+  orthogonal box = (4.3448 0 0) to (17.3792 21.724 21.724)
+  orthogonal box = (4.3448 4.3448 0) to (17.3792 17.3792 21.724)
+  orthogonal box = (4.3448 4.3448 4.3448) to (17.3792 17.3792 17.3792)
+
+pair_style      tersoff
+pair_coeff 	* * BNC.tersoff N N N C B B C B
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 3.1
+  ghost atom cutoff = 3.1
+  binsize = 1.55, bins = 9 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.699 | 2.699 | 2.699 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1100.5203   -3252.8699            0   -3192.3567    1930742.5 
+     110    1858.7735   -3301.1227            0   -3192.8403    1901753.1 
+     120    1107.7693   -3248.8236            0   -3192.2522    1953649.4 
+     130    1315.4397   -3260.1471            0   -3192.2616    1898713.9 
+     140    1541.4371   -3273.1832            0     -3192.41    1887352.3 
+     150    1424.7104   -3262.9648            0    -3192.216    1960688.1 
+     160    1291.2932   -3251.5548            0   -3192.0201    1914541.2 
+     170    1719.1133   -3277.7936            0     -3192.33      1893926 
+     180    1312.8066   -3248.6914            0   -3192.1477    1921417.4 
+     190    1481.3472   -3257.1585            0   -3191.8991    1927045.6 
+     200     1615.282   -3263.8377            0    -3192.055    1920616.3 
+Loop time of 0.0635643 on 4 procs for 100 steps with 512 atoms
+
+Performance: 135.925 ns/day, 0.177 hours/ns, 1573.210 timesteps/s
+97.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.051391   | 0.053262   | 0.05459    |   0.6 | 83.79
+Neigh   | 0.00052404 | 0.00052798 | 0.00053144 |   0.0 |  0.83
+Comm    | 0.0063059  | 0.0079132  | 0.0095143  |   1.5 | 12.45
+Output  | 0.00017905 | 0.00029147 | 0.00062609 |   0.0 |  0.46
+Modify  | 0.00064421 | 0.00096625 | 0.0012674  |   0.0 |  1.52
+Other   |            | 0.0006039  |            |       |  0.95
+
+Nlocal:    128 ave 131 max 125 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    526.75 ave 532 max 523 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  3646.5 ave 3722 max 3567 min
+Histogram: 1 0 0 1 0 0 0 1 0 1
+
+Total # of neighbors = 14586
+Ave neighs/atom = 28.4883
+Neighbor list builds = 2
+Dangerous builds = 0
+
+# Test Tersoff/Mod model for Si
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+
+pair_style      tersoff/mod
+pair_coeff 	* * Si.tersoff.mod Si Si Si Si Si Si Si Si
+Reading potential file Si.tersoff.mod with DATE: 2013-07-26
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff/mod, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.701 | 2.701 | 2.701 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1100.5203    -2308.936            0   -2248.4229    18087.231 
+     110    821.82813   -2288.8477            0   -2248.3856    21245.995 
+     120    1082.3774   -2304.2287            0   -2248.4366    15467.483 
+     130    995.26561   -2296.2957            0   -2248.4145    16341.517 
+     140    826.97009   -2283.3692            0   -2248.3897      19123.5 
+     150    1048.4178   -2296.0496            0   -2248.4172    15060.312 
+     160    1101.7884   -2297.2417            0    -2248.426    15070.879 
+     170    859.48562   -2279.1747            0    -2248.383    21416.479 
+     180     1041.679   -2289.2303            0   -2248.4038    19572.707 
+     190    1278.0514   -2302.2822            0   -2248.4257    16006.173 
+     200    1097.0682   -2287.8121            0   -2248.3929    20906.774 
+Loop time of 0.046846 on 4 procs for 100 steps with 512 atoms
+
+Performance: 184.434 ns/day, 0.130 hours/ns, 2134.653 timesteps/s
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.037434   | 0.039142   | 0.041109   |   0.7 | 83.55
+Neigh   | 0.0005877  | 0.00059921 | 0.00061464 |   0.0 |  1.28
+Comm    | 0.0036416  | 0.0055436  | 0.0073476  |   1.8 | 11.83
+Output  | 0.00016212 | 0.00027066 | 0.00059533 |   0.0 |  0.58
+Modify  | 0.00063038 | 0.00065678 | 0.00067234 |   0.0 |  1.40
+Other   |            | 0.0006335  |            |       |  1.35
+
+Nlocal:    128 ave 131 max 126 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Nghost:    518 ave 525 max 513 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  2202 ave 2257 max 2175 min
+Histogram: 1 1 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 8808
+Ave neighs/atom = 17.2031
+Neighbor list builds = 3
+Dangerous builds = 0
+
+# Test Tersoff/Mod/C model for Si
+
+clear
+  using 1 OpenMP thread(s) per MPI task
+read_restart	restart.equil
+  restoring atom style atomic from restart
+  orthogonal box = (0 0 0) to (21.724 21.724 21.724)
+  1 by 2 by 2 MPI processor grid
+  pair style sw stores no restart info
+  512 atoms
+newton on on
+pair_style      tersoff/mod/c
+pair_coeff 	* * Si.tersoff.modc Si Si Si Si Si Si Si Si
+Reading potential file Si.tersoff.modc with DATE: 2016-11-09
+
+thermo          10
+fix             1 all nvt temp $t $t 0.1
+fix             1 all nvt temp 1800 $t 0.1
+fix             1 all nvt temp 1800 1800 0.1
+Resetting global fix info from restart file:
+  fix style: nvt, fix ID: 1
+fix_modify 	1 energy yes
+timestep        1.0e-3
+neighbor        1.0 bin
+neigh_modify    every 1 delay 10 check yes
+run             100
+All restart file global fix info was re-assigned
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.20569
+  ghost atom cutoff = 4.20569
+  binsize = 2.10285, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair tersoff/mod/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.701 | 2.701 | 2.701 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+     100    1100.5203   -2308.5955            0   -2248.0824    20775.991 
+     110    813.33618   -2287.9469            0     -2248.04     22564.16 
+     120    1100.0902    -2305.051            0    -2248.092    17540.971 
+     130    1022.9471   -2297.7384            0   -2248.0801    17985.336 
+     140    761.99242   -2278.7251            0   -2248.0345    20462.975 
+     150    1053.3973   -2296.1039            0    -2248.081    16130.559 
+     160    1089.2622   -2296.1059            0   -2248.0833    15434.234 
+     170    776.25788   -2273.4496            0   -2248.0321    20642.702 
+     180    1016.1885   -2287.4305            0   -2248.0641    19276.936 
+     190    1266.3943   -2301.3675            0   -2248.0865    16199.281 
+     200    1012.4185    -2282.134            0   -2248.0423    20795.113 
+Loop time of 0.0840016 on 4 procs for 100 steps with 512 atoms
+
+Performance: 102.855 ns/day, 0.233 hours/ns, 1190.454 timesteps/s
+97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.068133   | 0.071658   | 0.075315   |   1.0 | 85.31
+Neigh   | 0.00057864 | 0.00058872 | 0.00060058 |   0.0 |  0.70
+Comm    | 0.0049844  | 0.008617   | 0.012086   |   2.8 | 10.26
+Output  | 0.0001626  | 0.00027418 | 0.00060463 |   0.0 |  0.33
+Modify  | 0.00070477 | 0.0011689  | 0.0022428  |   1.8 |  1.39
+Other   |            | 0.001694   |            |       |  2.02
+
+Nlocal:    128 ave 129 max 127 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    489.75 ave 501 max 481 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  2094.5 ave 2121 max 2060 min
+Histogram: 1 0 0 1 0 0 0 0 0 2
+
+Total # of neighbors = 8378
+Ave neighs/atom = 16.3633
+Neighbor list builds = 3
+Dangerous builds = 0
+
+Total wall time: 0:00:00
diff --git a/examples/vashishta/InP.vashishta b/examples/vashishta/InP.vashishta
deleted file mode 100644
index 9fefd4ef19..0000000000
--- a/examples/vashishta/InP.vashishta
+++ /dev/null
@@ -1,38 +0,0 @@
-# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002
-#
-# Vashishta potential file for InP, Branicio, Rino, Gan and Tsuzuki, 
-# J. Phys Condensed Matter 21 (2009) 095002
-#
-# These entries are in LAMMPS "metal" units:
-#   H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge); 
-#   lambda1, lambda4, rc, r0, gamma = Angstroms; 
-#   D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV; 
-#   other quantities are unitless
-
-# element1  element2  element3
-#           H  eta  Zi  Zj  lambda1  D  lambda4
-#           W  rc  B  gamma  r0  C  cos(theta)
-
-In  In  In  273.584  7  -1.21  -1.21  4.5  0.0  2.75
-            0.0  6.0  0.0  0.0  0.0  0.0  0.0
-
-P   P   P   1813.06  7  1.21  1.21  4.5  52.7067  2.75
-            0.0  6.0  0.0  0.0  0.0  0.0  -0.333333333333
-
-In  P   P   4847.09  9  1.21  -1.21  4.5  26.3533  2.75
-            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
-
-P   In  In  4847.09  9  1.21  -1.21  4.5  26.3533  2.75
-            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
-
-In  In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-In  P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-P   In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-P   P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
diff --git a/examples/vashishta/InP.vashishta b/examples/vashishta/InP.vashishta
new file mode 120000
index 0000000000..61b3b88359
--- /dev/null
+++ b/examples/vashishta/InP.vashishta
@@ -0,0 +1 @@
+../../potentials/InP.vashishta
\ No newline at end of file
diff --git a/examples/vashishta/SiO.1990.vashishta b/examples/vashishta/SiO.1990.vashishta
deleted file mode 100644
index f0f9ab354f..0000000000
--- a/examples/vashishta/SiO.1990.vashishta
+++ /dev/null
@@ -1,41 +0,0 @@
-# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: P. Vashishta, R. K. Kalia, J. P. Rino, and I. Ebbsjo, Phys. Rev. B 41, 12197 (1990).
-#
-# Vashishta potential file for SiO2, P. Vashishta, R. K. Kalia, J. P. Rino, and I. Ebbsjo,
-# Phys. Rev. B 41, 12197 (1990).
-# 
-# These parameters, some inferred indirectly, give a good
-# match to the energy-volume curve for alpha-quartz in Fig. 2 of the paper.
-#
-# These entries are in LAMMPS "metal" units:
-#   H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge); 
-#   lambda1, lambda4, rc, r0, gamma = Angstroms; 
-#   D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV; 
-#   other quantities are unitless
-#
-# element1  element2  element3
-#           H  eta  Zi  Zj  lambda1  D  lambda4
-#           W  rc  B  gamma  r0  C  cos(theta)
-
-Si  Si  Si  0.82023  11  1.6  1.6  999  0.0  4.43
-            0.0  10.0  0.0  0.0  0.0  0.0  0.0
-
-O   O   O   743.848  7  -0.8 -0.8 999  22.1179  4.43
-            0.0  10.0  0.0  0.0  0.0  0.0  0.0
-
-O   Si  Si  163.859  9  -0.8  1.6  999  44.2357  4.43
-            0.0  10.0  20.146  1.0  2.60  0.0  -0.77714596
-
-Si  O   O   163.859  9  1.6  -0.8  999  44.2357  4.43
-            0.0  10.0  5.0365  1.0  2.60  0.0  -0.333333333333
-
-Si  O   Si  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-Si  Si  O   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0            
-
-O   Si  O   0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
-
-O   O   Si  0.0  0.0  0.0  0.0  0.0  0.0  0.0
-            0.0  0.0  0.0  0.0  0.0  0.0  0.0
diff --git a/examples/vashishta/SiO.1990.vashishta b/examples/vashishta/SiO.1990.vashishta
new file mode 120000
index 0000000000..ae56b2bf26
--- /dev/null
+++ b/examples/vashishta/SiO.1990.vashishta
@@ -0,0 +1 @@
+../../potentials/SiO.1990.vashishta
\ No newline at end of file
diff --git a/examples/vashishta/log.5Oct16.indiumphosphide.g++.1 b/examples/vashishta/log.27Nov18.vashishta.inp.g++.1
similarity index 85%
rename from examples/vashishta/log.5Oct16.indiumphosphide.g++.1
rename to examples/vashishta/log.27Nov18.vashishta.inp.g++.1
index 3887d186ff..158cf0b832 100644
--- a/examples/vashishta/log.5Oct16.indiumphosphide.g++.1
+++ b/examples/vashishta/log.27Nov18.vashishta.inp.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # calculate the energy volume curve for InP zincblende
 
 # define volume range and filename
@@ -39,6 +40,7 @@ Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
 
 create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
 Created 8 atoms
+  Time spent = 0.000331879 secs
 
 mass 		1 114.76
 mass 		2 30.98
@@ -82,19 +84,24 @@ change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 7
   ghost atom cutoff = 7
-Memory usage per processor = 2.31867 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/nsq
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.633958     315900.5       160.72 
 Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+104.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -140,13 +147,13 @@ change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.773834    306658.04       161.44 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -156,7 +163,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -192,13 +199,13 @@ change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.909615    297676.86       162.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -208,7 +215,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -244,13 +251,13 @@ change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.041417    288949.17       162.88 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -260,7 +267,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -296,13 +303,13 @@ change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.169352    280467.46        163.6 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -312,7 +319,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -348,13 +355,13 @@ change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -25.29353    272224.44       164.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -364,7 +371,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -400,13 +407,13 @@ change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale 1.001458
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.414056    264213.09       165.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -416,7 +423,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -452,13 +459,13 @@ change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.531033    256426.58       165.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -468,7 +475,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -504,13 +511,13 @@ change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.644559    248858.32       166.48 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -520,7 +527,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -556,13 +563,13 @@ change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.754685    240961.62        167.2 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -572,7 +579,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -608,13 +615,13 @@ change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.861049     232444.2       167.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -624,7 +631,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -660,13 +667,13 @@ change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.963633    224145.09       168.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -676,7 +683,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -712,13 +719,13 @@ change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.062537    216058.21       169.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -728,7 +735,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -764,13 +771,13 @@ change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.157853    208177.66       170.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -780,7 +787,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -816,13 +823,13 @@ change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.249672    200497.73        170.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -832,7 +839,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -868,13 +875,13 @@ change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.338085    193012.87       171.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -884,7 +891,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -920,13 +927,13 @@ change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.423176    185717.71       172.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -936,7 +943,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -972,13 +979,13 @@ change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.505031    178607.07       172.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -988,7 +995,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1024,13 +1031,13 @@ change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.583731    171675.89       173.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1040,7 +1047,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1076,13 +1083,13 @@ change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.659356    164919.29        174.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1092,7 +1099,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1128,13 +1135,13 @@ change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.731982    158332.52       175.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1144,7 +1151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1180,13 +1187,13 @@ change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.801686       151911       175.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1196,7 +1203,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1232,13 +1239,13 @@ change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.868541    145650.26       176.56 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1248,7 +1255,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1284,13 +1291,13 @@ change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.932617    139545.98       177.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1300,7 +1307,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1336,13 +1343,13 @@ change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.993984    133593.97          178 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1352,7 +1359,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1388,13 +1395,13 @@ change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.05271    127790.17       178.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1404,7 +1411,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1440,13 +1447,13 @@ change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.108861    122130.61       179.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1456,7 +1463,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1492,13 +1499,13 @@ change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.1625    116611.48       180.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1508,7 +1515,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1544,13 +1551,13 @@ change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.213689    111229.06       180.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1560,7 +1567,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1596,13 +1603,13 @@ change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.26249    105979.74        181.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1612,7 +1619,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1648,13 +1655,13 @@ change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.308961    100860.02       182.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1664,7 +1671,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1700,13 +1707,13 @@ change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.353159    95866.497       183.04 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1716,7 +1723,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1752,13 +1759,13 @@ change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.395142    90995.879       183.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1768,7 +1775,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1804,13 +1811,13 @@ change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.434962    86244.961       184.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1820,7 +1827,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1856,13 +1863,13 @@ change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.472674    81610.631        185.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1872,7 +1879,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1908,13 +1915,13 @@ change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.508329    77089.868       185.92 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1924,7 +1931,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1960,13 +1967,13 @@ change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.541977    72679.738       186.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1976,7 +1983,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2012,13 +2019,13 @@ change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale 1.001284
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.573668    68377.392       187.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2028,7 +2035,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2064,13 +2071,13 @@ change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.603449    64180.061       188.08 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2080,7 +2087,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2116,13 +2123,13 @@ change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.631367    60085.056        188.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2132,7 +2139,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2168,13 +2175,13 @@ change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.657467    56089.763       189.52 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2184,7 +2191,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2220,13 +2227,13 @@ change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale 1.001264
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.681794    52191.643       190.24 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2236,7 +2243,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2272,13 +2279,13 @@ change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.70439    48388.229       190.96 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2288,7 +2295,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2324,13 +2331,13 @@ change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.725298    44677.122       191.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2340,7 +2347,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2376,13 +2383,13 @@ change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.744558    41055.991        192.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2392,7 +2399,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2428,13 +2435,13 @@ change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.762211     37522.57       193.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2444,7 +2451,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2480,13 +2487,13 @@ change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.778295    34074.656       193.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2496,7 +2503,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2532,13 +2539,13 @@ change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.792849    30710.109       194.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2548,7 +2555,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2584,13 +2591,13 @@ change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.805909    27426.844       195.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2600,7 +2607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2636,13 +2643,13 @@ change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.817512    24222.838          196 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2652,7 +2659,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2688,13 +2695,13 @@ change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.827692     21096.12       196.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2704,7 +2711,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2740,13 +2747,13 @@ change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.836484    18044.775       197.44 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2756,7 +2763,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2792,13 +2799,13 @@ change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.843921    15066.941       198.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2808,7 +2815,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2844,13 +2851,13 @@ change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850036    12160.805       198.88 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2860,7 +2867,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2896,13 +2903,13 @@ change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.854861     9324.604        199.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+279.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2912,7 +2919,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2948,13 +2955,13 @@ change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858427    6556.6223       200.32 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2964,7 +2971,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3000,13 +3007,13 @@ change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860764    3855.1909       201.04 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3016,7 +3023,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3052,13 +3059,13 @@ change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861902    1218.6858       201.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3068,7 +3075,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3104,13 +3111,13 @@ change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861869   -1354.4738       202.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3120,7 +3127,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3156,13 +3163,13 @@ change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860694   -3865.8261        203.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3172,7 +3179,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3208,13 +3215,13 @@ change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858404   -6316.8685       203.92 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3224,7 +3231,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3260,13 +3267,13 @@ change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.855025   -8709.0584       204.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3276,7 +3283,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3312,13 +3319,13 @@ change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850585   -11043.815       205.36 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3328,7 +3335,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3364,13 +3371,13 @@ change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.845108   -13322.519       206.08 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3380,7 +3387,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3416,13 +3423,13 @@ change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.838619   -15546.516        206.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3432,7 +3439,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3468,13 +3475,13 @@ change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.831143   -17717.116       207.52 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3484,7 +3491,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3520,13 +3527,13 @@ change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.822703   -19835.593       208.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3536,7 +3543,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3572,13 +3579,13 @@ change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.813323    -21903.19       208.96 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3588,7 +3595,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3624,13 +3631,13 @@ change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.803024   -23921.116       209.68 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3640,7 +3647,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3676,13 +3683,13 @@ change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.79183    -25890.55        210.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3692,7 +3699,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3728,13 +3735,13 @@ change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.779761   -27812.639       211.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+279.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3744,7 +3751,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3780,13 +3787,13 @@ change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.76684   -29688.502       211.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3796,7 +3803,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3832,13 +3839,13 @@ change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.753085   -31519.227       212.56 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3848,7 +3855,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3884,13 +3891,13 @@ change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.738517   -33305.877       213.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3900,7 +3907,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3936,13 +3943,13 @@ change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.723157   -35049.484          214 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3952,7 +3959,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3988,13 +3995,13 @@ change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.707022   -36751.057       214.72 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4004,7 +4011,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4040,13 +4047,13 @@ change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.690132   -38411.578       215.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4056,7 +4063,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4092,13 +4099,13 @@ change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.672509   -39943.013       216.16 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4108,7 +4115,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4144,13 +4151,13 @@ change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.654292   -41126.388       216.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4160,7 +4167,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4196,13 +4203,13 @@ change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.635551   -42275.674        217.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4212,7 +4219,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4248,13 +4255,13 @@ change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.6163   -43391.705       218.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4264,7 +4271,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4300,13 +4307,13 @@ change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.596556   -44475.291       219.04 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4316,7 +4323,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4352,13 +4359,13 @@ change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.576332   -45527.226       219.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4368,7 +4375,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4404,13 +4411,13 @@ change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.555642   -46548.278       220.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4420,7 +4427,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4456,13 +4463,13 @@ change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.5345   -47539.201        221.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4472,7 +4479,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4508,13 +4515,13 @@ change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.512919   -48500.725       221.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4524,7 +4531,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4560,13 +4567,13 @@ change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.490913   -49433.564       222.64 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4576,7 +4583,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4612,13 +4619,13 @@ change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.468494   -50338.414       223.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4628,7 +4635,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4664,13 +4671,13 @@ change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.445674   -51215.952       224.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4680,7 +4687,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4716,13 +4723,13 @@ change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.422466   -52066.839        224.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4732,7 +4739,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4768,13 +4775,13 @@ change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.398881    -52891.72       225.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4784,7 +4791,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4820,13 +4827,13 @@ change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.374932   -53691.221       226.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4836,7 +4843,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4872,13 +4879,13 @@ change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.350628   -54465.955       226.96 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4888,7 +4895,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4924,13 +4931,13 @@ change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.325983   -55216.518       227.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4940,7 +4947,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4976,13 +4983,13 @@ change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.301005   -55943.493        228.4 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4992,7 +4999,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5028,13 +5035,13 @@ change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.275705   -56647.446       229.12 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5044,7 +5051,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5080,13 +5087,13 @@ change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.250095   -57328.932       229.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5096,7 +5103,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5132,13 +5139,13 @@ change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.224183   -57988.489       230.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5148,7 +5155,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5184,13 +5191,13 @@ change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.197979   -58626.644       231.28 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5200,7 +5207,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5236,13 +5243,13 @@ change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.95 | 2.95 | 2.95 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.171493   -59243.909          232 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5252,7 +5259,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/vashishta/log.5Oct16.vashishta.inp.g++.4 b/examples/vashishta/log.27Nov18.vashishta.inp.g++.4
similarity index 87%
rename from examples/vashishta/log.5Oct16.vashishta.inp.g++.4
rename to examples/vashishta/log.27Nov18.vashishta.inp.g++.4
index c914a530c2..22c58edfef 100644
--- a/examples/vashishta/log.5Oct16.vashishta.inp.g++.4
+++ b/examples/vashishta/log.27Nov18.vashishta.inp.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # calculate the energy volume curve for InP zincblende
 
 # define volume range and filename
@@ -39,6 +40,7 @@ Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
 
 create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
 Created 8 atoms
+  Time spent = 0.00030756 secs
 
 mass 		1 114.76
 mass 		2 30.98
@@ -82,19 +84,24 @@ change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 7
   ghost atom cutoff = 7
-Memory usage per processor = 2.33394 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/nsq
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.633958     315900.5       160.72 
-Loop time of 2.5034e-05 on 4 procs for 0 steps with 8 atoms
+Loop time of 2.14577e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+81.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -104,7 +111,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.503e-05  |            |       |100.00
+Other   |            | 2.146e-05  |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -140,13 +147,13 @@ change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.773834    306658.04       161.44 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 3.01003e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+65.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -156,7 +163,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 3.01e-05   |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -192,13 +199,13 @@ change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.909615    297676.86       162.16 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 2.8193e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+64.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -208,7 +215,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 2.819e-05  |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -244,13 +251,13 @@ change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.041417    288949.17       162.88 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+129.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -260,7 +267,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -296,13 +303,13 @@ change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.169352    280467.46        163.6 
 Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+94.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -348,13 +355,13 @@ change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -25.29353    272224.44       164.32 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -364,7 +371,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -400,13 +407,13 @@ change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale 1.001458
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.414056    264213.09       165.04 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+127.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -416,7 +423,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -452,13 +459,13 @@ change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.531033    256426.58       165.76 
 Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -504,13 +511,13 @@ change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.644559    248858.32       166.48 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.72853e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -520,7 +527,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.729e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -556,13 +563,13 @@ change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.754685    240961.62        167.2 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -572,7 +579,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -608,13 +615,13 @@ change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.861049     232444.2       167.92 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -624,7 +631,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -660,13 +667,13 @@ change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.963633    224145.09       168.64 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -676,7 +683,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -712,13 +719,13 @@ change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.062537    216058.21       169.36 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+91.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -728,7 +735,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -764,13 +771,13 @@ change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.157853    208177.66       170.08 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+124.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -780,7 +787,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -816,13 +823,13 @@ change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.249672    200497.73        170.8 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -832,7 +839,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -868,13 +875,13 @@ change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.338085    193012.87       171.52 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -884,7 +891,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -920,13 +927,13 @@ change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.423176    185717.71       172.24 
-Loop time of 1.2517e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.3113e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+114.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -936,7 +943,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.252e-06  |            |       |100.00
+Other   |            | 1.311e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -972,13 +979,13 @@ change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.505031    178607.07       172.96 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -988,7 +995,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1024,13 +1031,13 @@ change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.583731    171675.89       173.68 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+125.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1040,7 +1047,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1076,13 +1083,13 @@ change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.659356    164919.29        174.4 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+91.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1092,7 +1099,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1128,13 +1135,13 @@ change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.731982    158332.52       175.12 
 Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+119.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1180,13 +1187,13 @@ change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.801686       151911       175.84 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1196,7 +1203,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1232,13 +1239,13 @@ change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.868541    145650.26       176.56 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1248,7 +1255,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1284,13 +1291,13 @@ change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.932617    139545.98       177.28 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1300,7 +1307,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1336,13 +1343,13 @@ change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.993984    133593.97          178 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+124.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1352,7 +1359,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1388,13 +1395,13 @@ change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.05271    127790.17       178.72 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1404,7 +1411,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1440,13 +1447,13 @@ change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.108861    122130.61       179.44 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1456,7 +1463,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1492,13 +1499,13 @@ change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.1625    116611.48       180.16 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+129.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1508,7 +1515,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1544,13 +1551,13 @@ change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.213689    111229.06       180.88 
 Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+118.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1596,13 +1603,13 @@ change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.26249    105979.74        181.6 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1612,7 +1619,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1648,13 +1655,13 @@ change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.308961    100860.02       182.32 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1664,7 +1671,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1700,13 +1707,13 @@ change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.353159    95866.497       183.04 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.72853e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1716,7 +1723,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.729e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1752,13 +1759,13 @@ change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.395142    90995.879       183.76 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1768,7 +1775,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1804,13 +1811,13 @@ change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.434962    86244.961       184.48 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1820,7 +1827,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1856,13 +1863,13 @@ change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.472674    81610.631        185.2 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1872,7 +1879,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1908,13 +1915,13 @@ change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.508329    77089.868       185.92 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1924,7 +1931,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1960,13 +1967,13 @@ change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.541977    72679.738       186.64 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1976,7 +1983,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2012,13 +2019,13 @@ change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale 1.001284
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.573668    68377.392       187.36 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+131.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2028,7 +2035,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2064,13 +2071,13 @@ change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.603449    64180.061       188.08 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.3113e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+152.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2080,7 +2087,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.311e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2116,13 +2123,13 @@ change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.631367    60085.056        188.8 
-Loop time of 1.2517e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2132,7 +2139,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.252e-06  |            |       |100.00
+Other   |            | 2.205e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2168,13 +2175,13 @@ change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.657467    56089.763       189.52 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2184,7 +2191,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2220,13 +2227,13 @@ change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale 1.001264
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.681794    52191.643       190.24 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2236,7 +2243,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2272,13 +2279,13 @@ change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.70439    48388.229       190.96 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2288,7 +2295,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2324,13 +2331,13 @@ change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.725298    44677.122       191.68 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+111.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2340,7 +2347,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2376,13 +2383,13 @@ change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.744558    41055.991        192.4 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2392,7 +2399,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2428,13 +2435,13 @@ change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.762211     37522.57       193.12 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2444,7 +2451,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2480,13 +2487,13 @@ change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.778295    34074.656       193.84 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2496,7 +2503,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2532,13 +2539,13 @@ change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.792849    30710.109       194.56 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2548,7 +2555,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2584,13 +2591,13 @@ change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.805909    27426.844       195.28 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+125.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2600,7 +2607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2636,13 +2643,13 @@ change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.817512    24222.838          196 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2652,7 +2659,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2688,13 +2695,13 @@ change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.827692     21096.12       196.72 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2704,7 +2711,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2740,13 +2747,13 @@ change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.836484    18044.775       197.44 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+122.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2756,7 +2763,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2792,13 +2799,13 @@ change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.843921    15066.941       198.16 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2808,7 +2815,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2844,13 +2851,13 @@ change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850036    12160.805       198.88 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+129.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2860,7 +2867,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2896,13 +2903,13 @@ change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.854861     9324.604        199.6 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2912,7 +2919,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2948,13 +2955,13 @@ change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858427    6556.6223       200.32 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+93.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2964,7 +2971,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3000,13 +3007,13 @@ change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860764    3855.1909       201.04 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 2.02656e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3016,7 +3023,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 2.027e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3052,13 +3059,13 @@ change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861902    1218.6858       201.76 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3068,7 +3075,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3104,13 +3111,13 @@ change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861869   -1354.4738       202.48 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3120,7 +3127,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3156,13 +3163,13 @@ change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860694   -3865.8261        203.2 
-Loop time of 1.2517e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+111.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3172,7 +3179,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.252e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3208,13 +3215,13 @@ change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858404   -6316.8685       203.92 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3224,7 +3231,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3260,13 +3267,13 @@ change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.855025   -8709.0584       204.64 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+69.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3276,7 +3283,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3312,13 +3319,13 @@ change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850585   -11043.815       205.36 
-Loop time of 5.00679e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-4993.2% CPU use with 4 MPI tasks x no OpenMP threads
+118.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3328,7 +3335,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 5.007e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3364,13 +3371,13 @@ change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.845108   -13322.519       206.08 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3380,7 +3387,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3416,13 +3423,13 @@ change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.838619   -15546.516        206.8 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3432,7 +3439,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3468,13 +3475,13 @@ change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.831143   -17717.116       207.52 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3484,7 +3491,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3520,13 +3527,13 @@ change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.822703   -19835.593       208.24 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+121.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3536,7 +3543,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3572,13 +3579,13 @@ change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.813323    -21903.19       208.96 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3588,7 +3595,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3624,13 +3631,13 @@ change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.803024   -23921.116       209.68 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3640,7 +3647,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3676,13 +3683,13 @@ change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.79183    -25890.55        210.4 
-Loop time of 1.2517e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3692,7 +3699,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.252e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3728,13 +3735,13 @@ change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.779761   -27812.639       211.12 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3744,7 +3751,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3780,13 +3787,13 @@ change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.76684   -29688.502       211.84 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3796,7 +3803,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3832,13 +3839,13 @@ change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.753085   -31519.227       212.56 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+87.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3848,7 +3855,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3884,13 +3891,13 @@ change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.738517   -33305.877       213.28 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+118.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3900,7 +3907,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3936,13 +3943,13 @@ change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.723157   -35049.484          214 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3952,7 +3959,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3988,13 +3995,13 @@ change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.707022   -36751.057       214.72 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4004,7 +4011,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4040,13 +4047,13 @@ change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.690132   -38411.578       215.44 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+83.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4056,7 +4063,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4092,13 +4099,13 @@ change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.672509   -39943.013       216.16 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+122.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4108,7 +4115,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4144,13 +4151,13 @@ change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.654292   -41126.388       216.88 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+129.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4160,7 +4167,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4196,13 +4203,13 @@ change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.635551   -42275.674        217.6 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4212,7 +4219,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4248,13 +4255,13 @@ change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.6163   -43391.705       218.32 
-Loop time of 9.53674e-07 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+149.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4264,7 +4271,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.669e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4300,13 +4307,13 @@ change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.596556   -44475.291       219.04 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+117.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4316,7 +4323,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4352,13 +4359,13 @@ change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.576332   -45527.226       219.76 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+87.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4368,7 +4375,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4404,13 +4411,13 @@ change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.555642   -46548.278       220.48 
 Loop time of 1.2517e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+119.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4456,13 +4463,13 @@ change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.5345   -47539.201        221.2 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+109.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4472,7 +4479,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4508,13 +4515,13 @@ change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.512919   -48500.725       221.92 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.96695e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+127.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4524,7 +4531,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.967e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4560,13 +4567,13 @@ change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.490913   -49433.564       222.64 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+131.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4576,7 +4583,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.907e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4612,13 +4619,13 @@ change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.468494   -50338.414       223.36 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4628,7 +4635,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4664,13 +4671,13 @@ change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.445674   -51215.952       224.08 
-Loop time of 3.57628e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+145.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4680,7 +4687,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.576e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4716,13 +4723,13 @@ change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.422466   -52066.839        224.8 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.72853e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+86.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4732,7 +4739,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.729e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4768,13 +4775,13 @@ change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.398881    -52891.72       225.52 
-Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4784,7 +4791,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.431e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4820,13 +4827,13 @@ change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.374932   -53691.221       226.24 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4836,7 +4843,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4872,13 +4879,13 @@ change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.350628   -54465.955       226.96 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4888,7 +4895,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4924,13 +4931,13 @@ change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.325983   -55216.518       227.68 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4940,7 +4947,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4976,13 +4983,13 @@ change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.301005   -55943.493        228.4 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+127.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4992,7 +4999,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5028,13 +5035,13 @@ change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.275705   -56647.446       229.12 
-Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5044,7 +5051,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.848e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5080,13 +5087,13 @@ change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.250095   -57328.932       229.84 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+122.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5096,7 +5103,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5132,13 +5139,13 @@ change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.224183   -57988.489       230.56 
-Loop time of 1.19209e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.78814e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+125.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5148,7 +5155,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 1.788e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5184,13 +5191,13 @@ change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.197979   -58626.644       231.28 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+124.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5200,7 +5207,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5236,13 +5243,13 @@ change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.33394 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 2.965 | 2.965 | 2.965 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.171493   -59243.909          232 
 Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
diff --git a/examples/vashishta/log.5Oct16.sio2.g++.1 b/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1
similarity index 70%
rename from examples/vashishta/log.5Oct16.sio2.g++.1
rename to examples/vashishta/log.27Nov18.vashishta.sio2.g++.1
index d302760d95..b1bd70d1bf 100644
--- a/examples/vashishta/log.5Oct16.sio2.g++.1
+++ b/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test Vashishta potential for quartz
 
 units		metal
@@ -16,6 +17,7 @@ replicate       4 4 4
   triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
   1 by 1 by 1 MPI processor grid
   576 atoms
+  Time spent = 0.000259161 secs
 velocity	all create 2000.0 277387 mom yes
 displace_atoms	all move 0.05 0.9 0.4 units box
 
@@ -35,13 +37,18 @@ timestep	0.001
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 10.3
   ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 2.54081 Mbytes
+  binsize = 5.15, bins = 6 4 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.677 | 3.677 | 3.677 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         2000    -5280.875            0   -5132.2259   -20502.321 
       10    895.65237    -5198.402            0    -5131.833    419.34676 
@@ -54,20 +61,20 @@ Step Temp E_pair E_mol TotEng Press
       80    1020.1044   -5207.6763            0   -5131.8574   -13488.675 
       90    912.75535    -5199.651            0   -5131.8108    2715.5897 
      100    998.97588   -5206.1008            0   -5131.8523    6024.3651 
-Loop time of 2.15298 on 1 procs for 100 steps with 576 atoms
+Loop time of 1.20228 on 1 procs for 100 steps with 576 atoms
 
-Performance: 4.013 ns/day, 5.981 hours/ns, 46.447 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 7.186 ns/day, 3.340 hours/ns, 83.176 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.0719     | 2.0719     | 2.0719     |   0.0 | 96.23
-Neigh   | 0.075195   | 0.075195   | 0.075195   |   0.0 |  3.49
-Comm    | 0.0039992  | 0.0039992  | 0.0039992  |   0.0 |  0.19
-Output  | 0.0001986  | 0.0001986  | 0.0001986  |   0.0 |  0.01
-Modify  | 0.00095224 | 0.00095224 | 0.00095224 |   0.0 |  0.04
-Other   |            | 0.0007288  |            |       |  0.03
+Pair    | 1.1142     | 1.1142     | 1.1142     |   0.0 | 92.67
+Neigh   | 0.081275   | 0.081275   | 0.081275   |   0.0 |  6.76
+Comm    | 0.0051043  | 0.0051043  | 0.0051043  |   0.0 |  0.42
+Output  | 0.00019526 | 0.00019526 | 0.00019526 |   0.0 |  0.02
+Modify  | 0.00081301 | 0.00081301 | 0.00081301 |   0.0 |  0.07
+Other   |            | 0.0006804  |            |       |  0.06
 
 Nlocal:    576 ave 576 max 576 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -83,4 +90,4 @@ Ave neighs/atom = 365.399
 Neighbor list builds = 10
 Dangerous builds = 10
 
-Total wall time: 0:00:02
+Total wall time: 0:00:01
diff --git a/examples/vashishta/log.5Oct16.vashishta.sio2.g++.4 b/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4
similarity index 71%
rename from examples/vashishta/log.5Oct16.vashishta.sio2.g++.4
rename to examples/vashishta/log.27Nov18.vashishta.sio2.g++.4
index c16943f4dc..ebac488d79 100644
--- a/examples/vashishta/log.5Oct16.vashishta.sio2.g++.4
+++ b/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test Vashishta potential for quartz
 
 units		metal
@@ -16,6 +17,7 @@ replicate       4 4 4
   triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
   2 by 1 by 2 MPI processor grid
   576 atoms
+  Time spent = 0.000181913 secs
 velocity	all create 2000.0 277387 mom yes
 displace_atoms	all move 0.05 0.9 0.4 units box
 
@@ -35,13 +37,18 @@ timestep	0.001
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 10.3
   ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 2.50221 Mbytes
+  binsize = 5.15, bins = 6 4 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.851 | 2.851 | 2.851 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         2000    -5280.875            0   -5132.2259   -20502.321 
       10    895.65237    -5198.402            0    -5131.833    419.34676 
@@ -54,20 +61,20 @@ Step Temp E_pair E_mol TotEng Press
       80    1020.1044   -5207.6763            0   -5131.8574   -13488.675 
       90    912.75535    -5199.651            0   -5131.8108    2715.5897 
      100    998.97588   -5206.1008            0   -5131.8523    6024.3651 
-Loop time of 0.592926 on 4 procs for 100 steps with 576 atoms
+Loop time of 0.33693 on 4 procs for 100 steps with 576 atoms
 
-Performance: 14.572 ns/day, 1.647 hours/ns, 168.655 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 25.643 ns/day, 0.936 hours/ns, 296.798 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.52105    | 0.52662    | 0.5338     |   0.8 | 88.82
-Neigh   | 0.017895   | 0.018018   | 0.018194   |   0.1 |  3.04
-Comm    | 0.039864   | 0.047185   | 0.052807   |   2.6 |  7.96
-Output  | 0.00022006 | 0.00027043 | 0.00031042 |   0.2 |  0.05
-Modify  | 0.00026655 | 0.00027591 | 0.00029397 |   0.1 |  0.05
-Other   |            | 0.0005552  |            |       |  0.09
+Pair    | 0.28209    | 0.28996    | 0.30024    |   1.3 | 86.06
+Neigh   | 0.019293   | 0.020102   | 0.021493   |   0.6 |  5.97
+Comm    | 0.014259   | 0.025857   | 0.034626   |   4.9 |  7.67
+Output  | 0.00024128 | 0.00035256 | 0.00068545 |   0.0 |  0.10
+Modify  | 0.00024343 | 0.00025165 | 0.00026345 |   0.0 |  0.07
+Other   |            | 0.0004103  |            |       |  0.12
 
 Nlocal:    144 ave 146 max 143 min
 Histogram: 2 0 0 1 0 0 0 0 0 1
diff --git a/examples/vashishta/log.5Oct16.vashishta.table.inp.g++.1 b/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1
similarity index 85%
rename from examples/vashishta/log.5Oct16.vashishta.table.inp.g++.1
rename to examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1
index 2724f18090..e6566fe364 100644
--- a/examples/vashishta/log.5Oct16.vashishta.table.inp.g++.1
+++ b/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # calculate the energy volume curve for InP zincblende
 
 # define volume range and filename
@@ -39,6 +40,7 @@ Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
 
 create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
 Created 8 atoms
+  Time spent = 0.0003407 secs
 
 mass 		1 114.76
 mass 		2 30.98
@@ -82,19 +84,24 @@ change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 7
   ghost atom cutoff = 7
-Memory usage per processor = 8.42218 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta/table, perpetual
+      attributes: full, newton on
+      pair build: full/nsq
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.633958    315900.51       160.72 
-Loop time of 1.90735e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -104,7 +111,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 9.537e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -140,13 +147,13 @@ change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.773834    306658.05       161.44 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -156,7 +163,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -192,13 +199,13 @@ change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.909614    297676.86       162.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -208,7 +215,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -244,13 +251,13 @@ change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.041417    288949.18       162.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -260,7 +267,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -296,13 +303,13 @@ change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.169352    280467.47        163.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -312,7 +319,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -348,13 +355,13 @@ change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -25.29353    272224.45       164.32 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -364,7 +371,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -400,13 +407,13 @@ change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale 1.001458
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.414056    264213.09       165.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -416,7 +423,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -452,13 +459,13 @@ change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.531033    256426.59       165.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -468,7 +475,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -504,13 +511,13 @@ change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.644559    248858.32       166.48 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -520,7 +527,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -556,13 +563,13 @@ change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.754685    240961.63        167.2 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -572,7 +579,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -608,13 +615,13 @@ change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.861048     232444.2       167.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+3355.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -624,7 +631,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -660,13 +667,13 @@ change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.963633     224145.1       168.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -676,7 +683,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -712,13 +719,13 @@ change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.062537    216058.22       169.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -728,7 +735,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -764,13 +771,13 @@ change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.157852    208177.67       170.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -780,7 +787,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -816,13 +823,13 @@ change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.249672    200497.73        170.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -832,7 +839,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -868,13 +875,13 @@ change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.338085    193012.87       171.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -884,7 +891,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -920,13 +927,13 @@ change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.423176    185717.72       172.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -936,7 +943,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -972,13 +979,13 @@ change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.505031    178607.08       172.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -988,7 +995,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1024,13 +1031,13 @@ change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.583731     171675.9       173.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1040,7 +1047,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1076,13 +1083,13 @@ change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.659356     164919.3        174.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1092,7 +1099,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1128,13 +1135,13 @@ change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.731982    158332.53       175.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1144,7 +1151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1180,13 +1187,13 @@ change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.801686       151911       175.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1196,7 +1203,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1232,13 +1239,13 @@ change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -26.86854    145650.27       176.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1248,7 +1255,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1284,13 +1291,13 @@ change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.932617    139545.99       177.28 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1300,7 +1307,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1336,13 +1343,13 @@ change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.993984    133593.98          178 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1352,7 +1359,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1388,13 +1395,13 @@ change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.05271    127790.17       178.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1404,7 +1411,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1440,13 +1447,13 @@ change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.108861    122130.62       179.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1456,7 +1463,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1492,13 +1499,13 @@ change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.162499    116611.48       180.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1508,7 +1515,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1544,13 +1551,13 @@ change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.213689    111229.06       180.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1560,7 +1567,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1596,13 +1603,13 @@ change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.262489    105979.74        181.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1612,7 +1619,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1648,13 +1655,13 @@ change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.30896    100860.02       182.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1664,7 +1671,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1700,13 +1707,13 @@ change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.353159    95866.501       183.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1716,7 +1723,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1752,13 +1759,13 @@ change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.395142    90995.883       183.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1768,7 +1775,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1804,13 +1811,13 @@ change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.434962    86244.965       184.48 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1820,7 +1827,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1856,13 +1863,13 @@ change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.472674    81610.635        185.2 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1872,7 +1879,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1908,13 +1915,13 @@ change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.508329    77089.873       185.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1924,7 +1931,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -1960,13 +1967,13 @@ change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.541977    72679.744       186.64 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1976,7 +1983,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2012,13 +2019,13 @@ change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale 1.001284
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.573668    68377.396       187.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2028,7 +2035,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2064,13 +2071,13 @@ change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.603449    64180.063       188.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2080,7 +2087,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2116,13 +2123,13 @@ change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.631367    60085.061        188.8 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2132,7 +2139,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2168,13 +2175,13 @@ change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.657467    56089.766       189.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2184,7 +2191,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2220,13 +2227,13 @@ change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale 1.001264
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.681794    52191.647       190.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2236,7 +2243,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2272,13 +2279,13 @@ change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.70439    48388.232       190.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2288,7 +2295,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2324,13 +2331,13 @@ change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.725298    44677.126       191.68 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2340,7 +2347,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2376,13 +2383,13 @@ change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.744558    41055.991        192.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2392,7 +2399,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2428,13 +2435,13 @@ change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.762211    37522.574       193.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2444,7 +2451,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2480,13 +2487,13 @@ change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.778295     34074.66       193.84 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2496,7 +2503,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2532,13 +2539,13 @@ change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.792849    30710.111       194.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2548,7 +2555,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2584,13 +2591,13 @@ change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.805909    27426.844       195.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2600,7 +2607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2636,13 +2643,13 @@ change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.817512    24222.839          196 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2652,7 +2659,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2688,13 +2695,13 @@ change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.827692    21096.122       196.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2704,7 +2711,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2740,13 +2747,13 @@ change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.836484    18044.777       197.44 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2756,7 +2763,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2792,13 +2799,13 @@ change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.843921    15066.943       198.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2808,7 +2815,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2844,13 +2851,13 @@ change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850036    12160.806       198.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2860,7 +2867,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2896,13 +2903,13 @@ change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.854861    9324.6056        199.6 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2912,7 +2919,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -2948,13 +2955,13 @@ change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858427    6556.6252       200.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2964,7 +2971,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3000,13 +3007,13 @@ change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860764     3855.194       201.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3016,7 +3023,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3052,13 +3059,13 @@ change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861902     1218.687       201.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3068,7 +3075,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3104,13 +3111,13 @@ change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861869   -1354.4715       202.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3120,7 +3127,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3156,13 +3163,13 @@ change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860694   -3865.8233        203.2 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3172,7 +3179,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3208,13 +3215,13 @@ change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858403   -6316.8674       203.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3224,7 +3231,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3260,13 +3267,13 @@ change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.855025   -8709.0557       204.64 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3276,7 +3283,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3312,13 +3319,13 @@ change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850585   -11043.813       205.36 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3328,7 +3335,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3364,13 +3371,13 @@ change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.845108   -13322.517       206.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3380,7 +3387,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3416,13 +3423,13 @@ change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.838619   -15546.513        206.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3432,7 +3439,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3468,13 +3475,13 @@ change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.831143   -17717.114       207.52 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3484,7 +3491,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3520,13 +3527,13 @@ change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.822703   -19835.592       208.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3536,7 +3543,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3572,13 +3579,13 @@ change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.813323   -21903.187       208.96 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3588,7 +3595,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3624,13 +3631,13 @@ change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.803024   -23921.114       209.68 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3640,7 +3647,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3676,13 +3683,13 @@ change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.79183   -25890.548        210.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3692,7 +3699,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3728,13 +3735,13 @@ change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.779761   -27812.637       211.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3744,7 +3751,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3780,13 +3787,13 @@ change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.76684     -29688.5       211.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3796,7 +3803,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3832,13 +3839,13 @@ change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.753085   -31519.225       212.56 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3848,7 +3855,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3884,13 +3891,13 @@ change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.738517   -33305.874       213.28 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3900,7 +3907,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3936,13 +3943,13 @@ change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.723157   -35049.482          214 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3952,7 +3959,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -3988,13 +3995,13 @@ change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.707022   -36751.056       214.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4004,7 +4011,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4040,13 +4047,13 @@ change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.690132   -38411.578       215.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4056,7 +4063,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4092,13 +4099,13 @@ change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.672509   -39943.011       216.16 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4108,7 +4115,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4144,13 +4151,13 @@ change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.654292   -41126.386       216.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4160,7 +4167,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4196,13 +4203,13 @@ change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.635551   -42275.674        217.6 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4212,7 +4219,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4248,13 +4255,13 @@ change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.6163   -43391.703       218.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4264,7 +4271,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4300,13 +4307,13 @@ change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.596556    -44475.29       219.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4316,7 +4323,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4352,13 +4359,13 @@ change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.576332   -45527.224       219.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4368,7 +4375,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4404,13 +4411,13 @@ change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.555642   -46548.278       220.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4420,7 +4427,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4456,13 +4463,13 @@ change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.5345   -47539.199        221.2 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4472,7 +4479,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4508,13 +4515,13 @@ change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.512919   -48500.724       221.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4524,7 +4531,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4560,13 +4567,13 @@ change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.490913   -49433.563       222.64 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4576,7 +4583,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4612,13 +4619,13 @@ change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.468493   -50338.412       223.36 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4628,7 +4635,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4664,13 +4671,13 @@ change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.445674   -51215.951       224.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4680,7 +4687,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4716,13 +4723,13 @@ change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.422466   -52066.839        224.8 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4732,7 +4739,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4768,13 +4775,13 @@ change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.398881    -52891.72       225.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4784,7 +4791,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4820,13 +4827,13 @@ change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.374932    -53691.22       226.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4836,7 +4843,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4872,13 +4879,13 @@ change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.350628   -54465.954       226.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4888,7 +4895,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4924,13 +4931,13 @@ change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.325983   -55216.517       227.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4940,7 +4947,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -4976,13 +4983,13 @@ change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.301005   -55943.492        228.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4992,7 +4999,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5028,13 +5035,13 @@ change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.275705   -56647.446       229.12 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5044,7 +5051,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5080,13 +5087,13 @@ change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.250095   -57328.932       229.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5096,7 +5103,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5132,13 +5139,13 @@ change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.224183   -57988.488       230.56 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5148,7 +5155,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5184,13 +5191,13 @@ change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.197979   -58626.642       231.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5200,7 +5207,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -5236,13 +5243,13 @@ change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.42218 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.054 | 9.054 | 9.054 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.171493   -59243.908          232 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5252,7 +5259,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/vashishta/log.5Oct16.vashishta.table.inp.g++.4 b/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4
similarity index 85%
rename from examples/vashishta/log.5Oct16.vashishta.table.inp.g++.4
rename to examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4
index 528f7fbee3..b5bc469600 100644
--- a/examples/vashishta/log.5Oct16.vashishta.table.inp.g++.4
+++ b/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # calculate the energy volume curve for InP zincblende
 
 # define volume range and filename
@@ -39,6 +40,7 @@ Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
 
 create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
 Created 8 atoms
+  Time spent = 0.00137448 secs
 
 mass 		1 114.76
 mass 		2 30.98
@@ -82,19 +84,24 @@ change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 7
   ghost atom cutoff = 7
-Memory usage per processor = 8.43745 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta/table, perpetual
+      attributes: full, newton on
+      pair build: full/nsq
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.633958    315900.51       160.72 
-Loop time of 5.00679e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.20997e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+90.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -104,7 +111,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 5.007e-06  |            |       |100.00
+Other   |            | 1.21e-05   |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -140,13 +147,13 @@ change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.773834    306658.05       161.44 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.23978e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -156,7 +163,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.24e-05   |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -192,13 +199,13 @@ change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -24.909614    297676.86       162.16 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.20401e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+103.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -208,7 +215,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.204e-05  |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -244,13 +251,13 @@ change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.041417    288949.18       162.88 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2517e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -260,7 +267,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.252e-05  |            |       |100.00
 
 Nlocal:    2 ave 2 max 2 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -296,13 +303,13 @@ change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.169352    280467.47        163.6 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.20997e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+70.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -312,7 +319,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.21e-05   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -348,13 +355,13 @@ change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -25.29353    272224.45       164.32 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2517e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -364,7 +371,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.252e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -400,13 +407,13 @@ change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale 1.001458
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.414056    264213.09       165.04 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.20997e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -416,7 +423,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.21e-05   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -452,13 +459,13 @@ change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.531033    256426.59       165.76 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2517e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -468,7 +475,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.252e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -504,13 +511,13 @@ change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.644559    248858.32       166.48 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2219e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -520,7 +527,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.222e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -556,13 +563,13 @@ change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.754685    240961.63        167.2 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2219e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -572,7 +579,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.222e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -608,13 +615,13 @@ change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.861048     232444.2       167.92 
-Loop time of 3.09944e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.20997e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -624,7 +631,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.099e-06  |            |       |100.00
+Other   |            | 1.21e-05   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -660,13 +667,13 @@ change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -25.963633     224145.1       168.64 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.21593e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+106.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -676,7 +683,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.216e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -712,13 +719,13 @@ change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.062537    216058.22       169.36 
-Loop time of 3.09944e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.23382e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+99.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -728,7 +735,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.099e-06  |            |       |100.00
+Other   |            | 1.234e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -764,13 +771,13 @@ change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.157852    208177.67       170.08 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2517e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+103.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -780,7 +787,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.252e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -816,13 +823,13 @@ change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.249672    200497.73        170.8 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.77622e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -832,7 +839,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.776e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -868,13 +875,13 @@ change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale 1.0014
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.338085    193012.87       171.52 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+135.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -884,7 +891,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -920,13 +927,13 @@ change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.423176    185717.72       172.24 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+129.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -936,7 +943,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -972,13 +979,13 @@ change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.505031    178607.08       172.96 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+151.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -988,7 +995,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1024,13 +1031,13 @@ change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.583731     171675.9       173.68 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+119.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1040,7 +1047,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.669e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1076,13 +1083,13 @@ change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.659356     164919.3        174.4 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.16229e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1092,7 +1099,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.162e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1128,13 +1135,13 @@ change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.731982    158332.53       175.12 
-Loop time of 3.09944e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.28746e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1144,7 +1151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.099e-06  |            |       |100.00
+Other   |            | 1.287e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1180,13 +1187,13 @@ change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.801686       151911       175.84 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.16229e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+73.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1196,7 +1203,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.162e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1232,13 +1239,13 @@ change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -26.86854    145650.27       176.56 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.17421e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+70.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1248,7 +1255,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 1.174e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1284,13 +1291,13 @@ change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.932617    139545.99       177.28 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.25766e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+69.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1300,7 +1307,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.258e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1336,13 +1343,13 @@ change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -26.993984    133593.98          178 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.25766e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+93.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1352,7 +1359,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.258e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1388,13 +1395,13 @@ change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.05271    127790.17       178.72 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.16229e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+94.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1404,7 +1411,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.162e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1440,13 +1447,13 @@ change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.108861    122130.62       179.44 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.23978e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1456,7 +1463,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 1.24e-05   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1492,13 +1499,13 @@ change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.162499    116611.48       180.16 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.2517e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1508,7 +1515,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.252e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1544,13 +1551,13 @@ change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.213689    111229.06       180.88 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.25766e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1560,7 +1567,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.258e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1596,13 +1603,13 @@ change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.262489    105979.74        181.6 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.18613e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1612,7 +1619,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.186e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1648,13 +1655,13 @@ change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.30896    100860.02       182.32 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 0.000160694 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+99.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1664,7 +1671,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 0.0001607  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1700,13 +1707,13 @@ change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.353159    95866.501       183.04 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.16825e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1716,7 +1723,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.168e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1752,13 +1759,13 @@ change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.395142    90995.883       183.76 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 5.47767e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1768,7 +1775,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 5.478e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1804,13 +1811,13 @@ change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale 1.0013
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.434962    86244.965       184.48 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.15633e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+105.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1820,7 +1827,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.156e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1856,13 +1863,13 @@ change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.472674    81610.635        185.2 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.15633e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+93.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1872,7 +1879,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.156e-05  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1908,13 +1915,13 @@ change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.508329    77089.873       185.92 
-Loop time of 2.5034e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.15037e-05 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1924,7 +1931,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.503e-06  |            |       |100.00
+Other   |            | 1.15e-05   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -1960,13 +1967,13 @@ change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.541977    72679.744       186.64 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+139.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -1976,7 +1983,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2012,13 +2019,13 @@ change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale 1.001284
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.573668    68377.396       187.36 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+112.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2028,7 +2035,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2064,13 +2071,13 @@ change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.603449    64180.063       188.08 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.3113e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+152.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2080,7 +2087,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.311e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2116,13 +2123,13 @@ change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.631367    60085.061        188.8 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+122.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2132,7 +2139,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2168,13 +2175,13 @@ change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.657467    56089.766       189.52 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+105.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2184,7 +2191,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2220,13 +2227,13 @@ change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale 1.001264
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.681794    52191.647       190.24 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.46386e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+106.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2236,7 +2243,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 8.464e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2272,13 +2279,13 @@ change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.70439    48388.232       190.96 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.52346e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2288,7 +2295,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 8.523e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2324,13 +2331,13 @@ change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.725298    44677.126       191.68 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.64267e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+86.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2340,7 +2347,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.643e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2376,13 +2383,13 @@ change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.744558    41055.991        192.4 
-Loop time of 2.5034e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.46386e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+94.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2392,7 +2399,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.503e-06  |            |       |100.00
+Other   |            | 8.464e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2428,13 +2435,13 @@ change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.762211    37522.574       193.12 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.22544e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+94.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2444,7 +2451,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.225e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2480,13 +2487,13 @@ change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.778295     34074.66       193.84 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2496,7 +2503,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2532,13 +2539,13 @@ change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.792849    30710.111       194.56 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.76188e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2548,7 +2555,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.762e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2584,13 +2591,13 @@ change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.805909    27426.844       195.28 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2600,7 +2607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2636,13 +2643,13 @@ change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.817512    24222.839          196 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.58307e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2652,7 +2659,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.583e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2688,13 +2695,13 @@ change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.827692    21096.122       196.72 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.22544e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+106.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2704,7 +2711,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.225e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2740,13 +2747,13 @@ change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.836484    18044.777       197.44 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.52346e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2756,7 +2763,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.523e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2792,13 +2799,13 @@ change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.843921    15066.943       198.16 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2808,7 +2815,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2844,13 +2851,13 @@ change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850036    12160.806       198.88 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.72853e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+130.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2860,7 +2867,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.729e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2896,13 +2903,13 @@ change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.854861    9324.6056        199.6 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.43051e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+122.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2912,7 +2919,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -2948,13 +2955,13 @@ change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale 1.0012
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858427    6556.6252       200.32 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.66893e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+89.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -2964,7 +2971,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.669e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3000,13 +3007,13 @@ change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860764     3855.194       201.04 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.96695e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3016,7 +3023,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.967e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3052,13 +3059,13 @@ change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861902     1218.687       201.76 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.22544e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+100.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3068,7 +3075,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.225e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3104,13 +3111,13 @@ change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.861869   -1354.4715       202.48 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3120,7 +3127,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3156,13 +3163,13 @@ change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.860694   -3865.8233        203.2 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.22544e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+106.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3172,7 +3179,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.225e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3208,13 +3215,13 @@ change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.858403   -6316.8674       203.92 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.16584e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3224,7 +3231,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.166e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3260,13 +3267,13 @@ change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.855025   -8709.0557       204.64 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.10623e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+95.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3276,7 +3283,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.106e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3312,13 +3319,13 @@ change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.850585   -11043.813       205.36 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.10623e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3328,7 +3335,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 8.106e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3364,13 +3371,13 @@ change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.845108   -13322.517       206.08 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.22544e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+109.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3380,7 +3387,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.225e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3416,13 +3423,13 @@ change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.838619   -15546.513        206.8 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3432,7 +3439,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3468,13 +3475,13 @@ change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.831143   -17717.114       207.52 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.52346e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3484,7 +3491,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.523e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3520,13 +3527,13 @@ change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.822703   -19835.592       208.24 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+92.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3536,7 +3543,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3572,13 +3579,13 @@ change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.813323   -21903.187       208.96 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3588,7 +3595,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3624,13 +3631,13 @@ change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.803024   -23921.114       209.68 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.16584e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3640,7 +3647,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.166e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3676,13 +3683,13 @@ change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.79183   -25890.548        210.4 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.88109e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3692,7 +3699,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.881e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3728,13 +3735,13 @@ change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.779761   -27812.637       211.12 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3744,7 +3751,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3780,13 +3787,13 @@ change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0    -27.76684     -29688.5       211.84 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+83.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3796,7 +3803,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3832,13 +3839,13 @@ change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.753085   -31519.225       212.56 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+145.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3848,7 +3855,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3884,13 +3891,13 @@ change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.738517   -33305.874       213.28 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.60933e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+124.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3900,7 +3907,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.609e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3936,13 +3943,13 @@ change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.723157   -35049.482          214 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 0.00103354 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -3952,7 +3959,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 0.001034   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -3988,13 +3995,13 @@ change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.707022   -36751.056       214.72 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.46386e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4004,7 +4011,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 8.464e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4040,13 +4047,13 @@ change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.690132   -38411.578       215.44 
-Loop time of 2.5034e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.04663e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4056,7 +4063,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.503e-06  |            |       |100.00
+Other   |            | 8.047e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4092,13 +4099,13 @@ change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.672509   -39943.011       216.16 
-Loop time of 3.09944e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4108,7 +4115,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.099e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4144,13 +4151,13 @@ change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.654292   -41126.386       216.88 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.04663e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+105.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4160,7 +4167,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.047e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4196,13 +4203,13 @@ change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.635551   -42275.674        217.6 
-Loop time of 2.44379e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.16584e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4212,7 +4219,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.444e-06  |            |       |100.00
+Other   |            | 8.166e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4248,13 +4255,13 @@ change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale 1.0011
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.6163   -43391.703       218.32 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+104.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4264,7 +4271,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4300,13 +4307,13 @@ change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.596556    -44475.29       219.04 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+93.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4316,7 +4323,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4352,13 +4359,13 @@ change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.576332   -45527.224       219.76 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+56.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4368,7 +4375,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4404,13 +4411,13 @@ change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.555642   -46548.278       220.48 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.52346e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4420,7 +4427,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 8.523e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4456,13 +4463,13 @@ change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0     -27.5345   -47539.199        221.2 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.46386e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+106.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4472,7 +4479,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 8.464e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4508,13 +4515,13 @@ change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.512919   -48500.724       221.92 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4524,7 +4531,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4560,13 +4567,13 @@ change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.490913   -49433.563       222.64 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.58307e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+93.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4576,7 +4583,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 8.583e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4612,13 +4619,13 @@ change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.468493   -50338.412       223.36 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+134.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4628,7 +4635,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4664,13 +4671,13 @@ change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.445674   -51215.951       224.08 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+127.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4680,7 +4687,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4716,13 +4723,13 @@ change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.422466   -52066.839        224.8 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.54972e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4732,7 +4739,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 1.55e-06   |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4768,13 +4775,13 @@ change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.398881    -52891.72       225.52 
-Loop time of 2.6226e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 1.37091e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+127.7% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4784,7 +4791,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.623e-06  |            |       |100.00
+Other   |            | 1.371e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4820,13 +4827,13 @@ change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.374932    -53691.22       226.24 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.52346e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+96.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4836,7 +4843,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.523e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4872,13 +4879,13 @@ change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.350628   -54465.954       226.96 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.34465e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+107.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4888,7 +4895,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.345e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4924,13 +4931,13 @@ change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.325983   -55216.517       227.68 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+105.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4940,7 +4947,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -4976,13 +4983,13 @@ change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.301005   -55943.492        228.4 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+99.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -4992,7 +4999,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5028,13 +5035,13 @@ change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.275705   -56647.446       229.12 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+108.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5044,7 +5051,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5080,13 +5087,13 @@ change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.250095   -57328.932       229.84 
-Loop time of 2.5034e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+102.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5096,7 +5103,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.503e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5132,13 +5139,13 @@ change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.224183   -57988.488       230.56 
-Loop time of 3.93391e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.46386e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+103.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5148,7 +5155,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.934e-06  |            |       |100.00
+Other   |            | 8.464e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5184,13 +5191,13 @@ change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.197979   -58626.642       231.28 
-Loop time of 2.80142e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.40425e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+101.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5200,7 +5207,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.801e-06  |            |       |100.00
+Other   |            | 8.404e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
@@ -5236,13 +5243,13 @@ change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale 1.0010
 # no energy minimization needed for zincblende
 
 run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.43745 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.069 | 9.069 | 9.069 Mbytes
 Step Temp PotEng Press Volume 
        0            0   -27.171493   -59243.908          232 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 8 atoms
+Loop time of 8.28505e-06 on 4 procs for 0 steps with 8 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+90.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -5252,7 +5259,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 8.285e-06  |            |       |100.00
 
 Nlocal:    2 ave 5 max 1 min
 Histogram: 3 0 0 0 0 0 0 0 0 1
diff --git a/examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.1 b/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1
similarity index 72%
rename from examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.1
rename to examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1
index 778a9389f8..401f1f8efd 100644
--- a/examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.1
+++ b/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test Vashishta potential for quartz
 
 units		metal
@@ -18,6 +19,7 @@ replicate       4 4 4
   triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
   1 by 1 by 1 MPI processor grid
   576 atoms
+  Time spent = 0.000264406 secs
 velocity	all create 2000.0 277387 mom yes
 displace_atoms	all move 0.05 0.9 0.4 units box
 
@@ -38,13 +40,18 @@ timestep	0.001
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 10.3
   ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 8.64433 Mbytes
+  binsize = 5.15, bins = 6 4 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta/table, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.78 | 9.78 | 9.78 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         2000   -5280.8748            0   -5132.2257    -20501.94 
       10    895.65274   -5198.4018            0   -5131.8328     419.5556 
@@ -57,20 +64,20 @@ Step Temp E_pair E_mol TotEng Press
       80    1020.1046   -5207.6761            0   -5131.8572   -13488.691 
       90    912.75537   -5199.6508            0   -5131.8106    2715.7189 
      100    998.97595   -5206.1006            0   -5131.8521    6024.5628 
-Loop time of 0.57105 on 1 procs for 100 steps with 576 atoms
+Loop time of 0.613275 on 1 procs for 100 steps with 576 atoms
 
-Performance: 15.130 ns/day, 1.586 hours/ns, 175.116 timesteps/s
-100.0% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 14.088 ns/day, 1.704 hours/ns, 163.059 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.49037    | 0.49037    | 0.49037    |   0.0 | 85.87
-Neigh   | 0.075116   | 0.075116   | 0.075116   |   0.0 | 13.15
-Comm    | 0.0039296  | 0.0039296  | 0.0039296  |   0.0 |  0.69
-Output  | 0.00010204 | 0.00010204 | 0.00010204 |   0.0 |  0.02
-Modify  | 0.00090742 | 0.00090742 | 0.00090742 |   0.0 |  0.16
-Other   |            | 0.0006287  |            |       |  0.11
+Pair    | 0.52478    | 0.52478    | 0.52478    |   0.0 | 85.57
+Neigh   | 0.081344   | 0.081344   | 0.081344   |   0.0 | 13.26
+Comm    | 0.0052247  | 0.0052247  | 0.0052247  |   0.0 |  0.85
+Output  | 0.00029302 | 0.00029302 | 0.00029302 |   0.0 |  0.05
+Modify  | 0.00088763 | 0.00088763 | 0.00088763 |   0.0 |  0.14
+Other   |            | 0.0007463  |            |       |  0.12
 
 Nlocal:    576 ave 576 max 576 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.4 b/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4
similarity index 72%
rename from examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.4
rename to examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4
index 6a1af80724..4d1e7f5dcc 100644
--- a/examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.4
+++ b/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # test Vashishta potential for quartz
 
 units		metal
@@ -18,6 +19,7 @@ replicate       4 4 4
   triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
   2 by 1 by 2 MPI processor grid
   576 atoms
+  Time spent = 0.000568867 secs
 velocity	all create 2000.0 277387 mom yes
 displace_atoms	all move 0.05 0.9 0.4 units box
 
@@ -38,13 +40,18 @@ timestep	0.001
 
 run		100
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 10.3
   ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 8.60573 Mbytes
+  binsize = 5.15, bins = 6 4 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair vashishta/table, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 8.954 | 8.954 | 8.954 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0         2000   -5280.8748            0   -5132.2257    -20501.94 
       10    895.65274   -5198.4018            0   -5131.8328     419.5556 
@@ -57,20 +64,20 @@ Step Temp E_pair E_mol TotEng Press
       80    1020.1046   -5207.6761            0   -5131.8572   -13488.691 
       90    912.75537   -5199.6508            0   -5131.8106    2715.7189 
      100    998.97595   -5206.1006            0   -5131.8521    6024.5628 
-Loop time of 0.16443 on 4 procs for 100 steps with 576 atoms
+Loop time of 0.245452 on 4 procs for 100 steps with 576 atoms
 
-Performance: 52.545 ns/day, 0.457 hours/ns, 608.161 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 35.200 ns/day, 0.682 hours/ns, 407.412 timesteps/s
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.12531    | 0.13171    | 0.13599    |   1.1 | 80.10
-Neigh   | 0.017477   | 0.017983   | 0.018685   |   0.3 | 10.94
-Comm    | 0.0094879  | 0.01374    | 0.020683   |   3.8 |  8.36
-Output  | 0.00022864 | 0.00025094 | 0.00027585 |   0.1 |  0.15
-Modify  | 0.00027609 | 0.00028592 | 0.00029564 |   0.0 |  0.17
-Other   |            | 0.0004643  |            |       |  0.28
+Pair    | 0.18883    | 0.19598    | 0.21164    |   2.1 | 79.85
+Neigh   | 0.01932    | 0.019972   | 0.020683   |   0.4 |  8.14
+Comm    | 0.011552   | 0.028067   | 0.03599    |   5.9 | 11.43
+Output  | 0.00027466 | 0.0005008  | 0.00109    |   0.0 |  0.20
+Modify  | 0.00035977 | 0.00036436 | 0.00037313 |   0.0 |  0.15
+Other   |            | 0.0005662  |            |       |  0.23
 
 Nlocal:    144 ave 146 max 143 min
 Histogram: 2 0 0 1 0 0 0 0 0 1
diff --git a/examples/vashishta/log.5Oct16.indiumphosphide.g++.4 b/examples/vashishta/log.5Oct16.indiumphosphide.g++.4
deleted file mode 100644
index 71dc3350e8..0000000000
--- a/examples/vashishta/log.5Oct16.indiumphosphide.g++.4
+++ /dev/null
@@ -1,128 +0,0 @@
-LAMMPS (5 Oct 2016)
-# calculate the energy volume curve for InP zincblende
-
-# define volume range and filename
-
-variable	ndelta equal 100
-variable	volatom_min equal 20.0
-variable	volatom_max equal 29.0
-variable	evsvolfile string evsvol.dat
-
-# set up cell
-
-units		metal
-
-boundary	p p p
-
-# setup loop variables for box volume
-
-variable	amin equal ${volatom_min}^(1/3)*2
-variable	amin equal 20^(1/3)*2
-variable 	delta equal (${volatom_max}-${volatom_min})/${ndelta}
-variable 	delta equal (29-${volatom_min})/${ndelta}
-variable 	delta equal (29-20)/${ndelta}
-variable 	delta equal (29-20)/100
-variable	scale equal (${delta}/v_volatom+1)^(1/3)
-variable	scale equal (0.09/v_volatom+1)^(1/3)
-
-# set up 8 atom InP zincblende unit cell
-
-lattice diamond ${amin}
-lattice diamond 5.42883523318981
-Lattice spacing in x,y,z = 5.42884 5.42884 5.42884
-
-region		box prism 	 	0 1 		0 1 		0 1 		0 0 0
-
-create_box	2 box
-Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
-  1 by 2 by 2 MPI processor grid
-
-create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
-Created 8 atoms
-
-mass 		1 114.76
-mass 		2 30.98
-
-# choose potential
-
-pair_style	vashishta
-pair_coeff 	* * InP.vashishta In P
-Reading potential file InP.vashishta with DATE: 2015-10-14
-
-# setup neighbor style
-
-neighbor 	1.0 nsq
-neigh_modify 	once no every 1 delay 0 check yes
-
-# setup output
-
-thermo_style 	custom step temp pe press vol
-thermo_modify 	norm no
-variable 	volatom equal vol/atoms
-variable 	eatom equal pe/atoms
-print 		"# Volume [A^3/atom] Energy [eV/atom]" file ${evsvolfile}
-print 		"# Volume [A^3/atom] Energy [eV/atom]" file evsvol.dat
-# Volume [A^3/atom] Energy [eV/atom]
-
-# loop over range of volumes
-
-label 		loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.00149775560818 remap
-  triclinic box = (-0.00406553 0 0) to (5.4329 5.42884 5.42884) with tilt (0 0 0)
-  triclinic box = (-0.00406553 -0.00406553 0) to (5.4329 5.4329 5.42884) with tilt (0 0 0)
-  triclinic box = (-0.00406553 -0.00406553 -0.00406553) to (5.4329 5.4329 5.4329) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7
-  ghost atom cutoff = 7
-Memory usage per processor = 2.33394 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -24.633958     315900.5       160.72 
-Loop time of 3.09944e-06 on 4 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 3.099e-06  |            |       |100.00
-
-Nlocal:    2 ave 2 max 2 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Nghost:    320 ave 320 max 320 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-FullNghs:  140 ave 140 max 140 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.09 -3.07924477327226
-
-next 		i
-jump 		SELF loop
-ERROR: Label wasn't found in input script (../input.cpp:207)
diff --git a/examples/vashishta/log.5Oct16.sio2.g++.4 b/examples/vashishta/log.5Oct16.sio2.g++.4
deleted file mode 100644
index baa2942bd0..0000000000
--- a/examples/vashishta/log.5Oct16.sio2.g++.4
+++ /dev/null
@@ -1,86 +0,0 @@
-LAMMPS (5 Oct 2016)
-# test Vashishta potential for quartz
-
-units		metal
-boundary	p p p
-
-atom_style	atomic
-
-read_data	data.quartz
-  triclinic box = (0 0 0) to (4.9134 4.25513 5.4052) with tilt (-2.4567 0 0)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  9 atoms
-
-replicate       4 4 4
-  triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
-  2 by 1 by 2 MPI processor grid
-  576 atoms
-velocity	all create 2000.0 277387 mom yes
-displace_atoms	all move 0.05 0.9 0.4 units box
-
-pair_style 	vashishta
-pair_coeff	* *  SiO.1990.vashishta Si O
-Reading potential file SiO.1990.vashishta with DATE: 2015-10-14
-
-neighbor	0.3 bin
-neigh_modify	delay 10
-
-fix		1 all nve
-thermo		10
-timestep	0.001
-
-#dump		1 all cfg 10 *.cfg mass type xs ys zs vx vy vz fx fy fz
-#dump_modify	1 element Si O
-
-run		100
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10.3
-  ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 2.50221 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         2000    -5280.875            0   -5132.2259   -20502.321 
-      10    895.65237    -5198.402            0    -5131.833    419.34676 
-      20    932.93463   -5201.1569            0   -5131.8169   -21407.961 
-      30    936.09591   -5201.3998            0   -5131.8248   -32531.168 
-      40    930.05159   -5201.0073            0   -5131.8816   -46445.212 
-      50    904.64676    -5199.062            0   -5131.8245   -31402.385 
-      60    1005.5353   -5206.5725            0   -5131.8365   -29790.442 
-      70    941.02343   -5201.7644            0   -5131.8232   -23046.796 
-      80    1020.1044   -5207.6763            0   -5131.8574   -13488.675 
-      90    912.75535    -5199.651            0   -5131.8108    2715.5897 
-     100    998.97588   -5206.1008            0   -5131.8523    6024.3651 
-Loop time of 0.595389 on 4 procs for 100 steps with 576 atoms
-
-Performance: 14.512 ns/day, 1.654 hours/ns, 167.957 timesteps/s
-99.9% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.51621    | 0.52629    | 0.53686    |   1.1 | 88.39
-Neigh   | 0.017571   | 0.018024   | 0.018574   |   0.3 |  3.03
-Comm    | 0.038951   | 0.050033   | 0.06044    |   3.7 |  8.40
-Output  | 0.00020981 | 0.00022781 | 0.00025916 |   0.1 |  0.04
-Modify  | 0.00025797 | 0.00027782 | 0.00031734 |   0.1 |  0.05
-Other   |            | 0.0005327  |            |       |  0.09
-
-Nlocal:    144 ave 146 max 143 min
-Histogram: 2 0 0 1 0 0 0 0 0 1
-Nghost:    3031 ave 3032 max 3030 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-FullNghs:  52617.5 ave 53258 max 52208 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-
-Total # of neighbors = 210470
-Ave neighs/atom = 365.399
-Neighbor list builds = 10
-Dangerous builds = 10
-
-Total wall time: 0:00:00
diff --git a/examples/vashishta/log.5Oct16.vashishta.inp.g++.1 b/examples/vashishta/log.5Oct16.vashishta.inp.g++.1
deleted file mode 100644
index ac454470e9..0000000000
--- a/examples/vashishta/log.5Oct16.vashishta.inp.g++.1
+++ /dev/null
@@ -1,5276 +0,0 @@
-LAMMPS (5 Oct 2016)
-# calculate the energy volume curve for InP zincblende
-
-# define volume range and filename
-
-variable	ndelta equal 100
-variable	volatom_min equal 20.0
-variable	volatom_max equal 29.0
-variable	evsvolfile string evsvol.dat
-
-# set up cell
-
-units		metal
-
-boundary	p p p
-
-# setup loop variables for box volume
-
-variable	amin equal ${volatom_min}^(1/3)*2
-variable	amin equal 20^(1/3)*2
-variable 	delta equal (${volatom_max}-${volatom_min})/${ndelta}
-variable 	delta equal (29-${volatom_min})/${ndelta}
-variable 	delta equal (29-20)/${ndelta}
-variable 	delta equal (29-20)/100
-variable	scale equal (${delta}/v_volatom+1)^(1/3)
-variable	scale equal (0.09/v_volatom+1)^(1/3)
-
-# set up 8 atom InP zincblende unit cell
-
-lattice diamond ${amin}
-lattice diamond 5.42883523318981
-Lattice spacing in x,y,z = 5.42884 5.42884 5.42884
-
-region		box prism 	 	0 1 		0 1 		0 1 		0 0 0
-
-create_box	2 box
-Created triclinic box = (0 0 0) to (5.42884 5.42884 5.42884) with tilt (0 0 0)
-  1 by 1 by 1 MPI processor grid
-
-create_atoms	1	box       			basis 5 2 			basis 6 2 			basis 7 2 			basis 8 2
-Created 8 atoms
-
-mass 		1 114.76
-mass 		2 30.98
-
-# choose potential
-
-pair_style	vashishta
-pair_coeff 	* * InP.vashishta In P
-Reading potential file InP.vashishta with DATE: 2015-10-14
-
-# setup neighbor style
-
-neighbor 	1.0 nsq
-neigh_modify 	once no every 1 delay 0 check yes
-
-# setup output
-
-thermo_style 	custom step temp pe press vol
-thermo_modify 	norm no
-variable 	volatom equal vol/atoms
-variable 	eatom equal pe/atoms
-print 		"# Volume [A^3/atom] Energy [eV/atom]" file ${evsvolfile}
-print 		"# Volume [A^3/atom] Energy [eV/atom]" file evsvol.dat
-# Volume [A^3/atom] Energy [eV/atom]
-
-# loop over range of volumes
-
-label 		loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale ${scale} remap
-change_box 	all x scale 1.00149775560818 y scale 1.00149775560818 z scale 1.00149775560818 remap
-  triclinic box = (-0.00406553 0 0) to (5.4329 5.42884 5.42884) with tilt (0 0 0)
-  triclinic box = (-0.00406553 -0.00406553 0) to (5.4329 5.4329 5.42884) with tilt (0 0 0)
-  triclinic box = (-0.00406553 -0.00406553 -0.00406553) to (5.4329 5.4329 5.4329) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 7
-  ghost atom cutoff = 7
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -24.633958     315900.5       160.72 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.09 -3.07924477327226
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149105588627 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale ${scale} remap
-change_box 	all x scale 1.00149105588627 y scale 1.00149105588627 z scale 1.00149105588627 remap
-  triclinic box = (-0.00811894 -0.00406553 -0.00406553) to (5.43695 5.4329 5.4329) with tilt (0 0 0)
-  triclinic box = (-0.00811894 -0.00811894 -0.00406553) to (5.43695 5.43695 5.4329) with tilt (0 0 0)
-  triclinic box = (-0.00811894 -0.00811894 -0.00811894) to (5.43695 5.43695 5.43695) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -24.773834    306658.04       161.44 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.1799999999997 -3.09672920462219
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00148441583558 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale ${scale} remap
-change_box 	all x scale 1.00148441583558 y scale 1.00148441583558 z scale 1.00148441583558 remap
-  triclinic box = (-0.0121603 -0.00811894 -0.00811894) to (5.441 5.43695 5.43695) with tilt (0 0 0)
-  triclinic box = (-0.0121603 -0.0121603 -0.00811894) to (5.441 5.441 5.43695) with tilt (0 0 0)
-  triclinic box = (-0.0121603 -0.0121603 -0.0121603) to (5.441 5.441 5.441) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -24.909615    297676.86       162.16 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.2699999999996 -3.11370182923915
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00147783466245 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale ${scale} remap
-change_box 	all x scale 1.00147783466245 y scale 1.00147783466245 z scale 1.00147783466245 remap
-  triclinic box = (-0.0161898 -0.0121603 -0.0121603) to (5.44502 5.441 5.441) with tilt (0 0 0)
-  triclinic box = (-0.0161898 -0.0161898 -0.0121603) to (5.44502 5.44502 5.441) with tilt (0 0 0)
-  triclinic box = (-0.0161898 -0.0161898 -0.0161898) to (5.44502 5.44502 5.44502) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.041417    288949.17       162.88 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.3599999999999 -3.13017710427322
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00147131158722 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale ${scale} remap
-change_box 	all x scale 1.00147131158722 y scale 1.00147131158722 z scale 1.00147131158722 remap
-  triclinic box = (-0.0202073 -0.0161898 -0.0161898) to (5.44904 5.44502 5.44502) with tilt (0 0 0)
-  triclinic box = (-0.0202073 -0.0202073 -0.0161898) to (5.44904 5.44904 5.44502) with tilt (0 0 0)
-  triclinic box = (-0.0202073 -0.0202073 -0.0202073) to (5.44904 5.44904 5.44904) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.169352    280467.46        163.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.4500000000002 -3.14616905711537
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00146484584395 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale ${scale} remap
-change_box 	all x scale 1.00146484584395 y scale 1.00146484584395 z scale 1.00146484584395 remap
-  triclinic box = (-0.0242131 -0.0202073 -0.0202073) to (5.45305 5.44904 5.44904) with tilt (0 0 0)
-  triclinic box = (-0.0242131 -0.0242131 -0.0202073) to (5.45305 5.45305 5.44904) with tilt (0 0 0)
-  triclinic box = (-0.0242131 -0.0242131 -0.0242131) to (5.45305 5.45305 5.45305) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -25.29353    272224.44       164.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.5400000000003 -3.16169129950254
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0014584366801 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale ${scale} remap
-change_box 	all x scale 1.0014584366801 y scale 1.0014584366801 z scale 1.0014584366801 remap
-  triclinic box = (-0.0282073 -0.0242131 -0.0242131) to (5.45704 5.45305 5.45305) with tilt (0 0 0)
-  triclinic box = (-0.0282073 -0.0282073 -0.0242131) to (5.45704 5.45704 5.45305) with tilt (0 0 0)
-  triclinic box = (-0.0282073 -0.0282073 -0.0282073) to (5.45704 5.45704 5.45704) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.414056    264213.09       165.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.6300000000001 -3.17675704110846
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00145208335626 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale ${scale} remap
-change_box 	all x scale 1.00145208335626 y scale 1.00145208335626 z scale 1.00145208335626 remap
-  triclinic box = (-0.0321898 -0.0282073 -0.0282073) to (5.46103 5.45704 5.45704) with tilt (0 0 0)
-  triclinic box = (-0.0321898 -0.0321898 -0.0282073) to (5.46103 5.46103 5.45704) with tilt (0 0 0)
-  triclinic box = (-0.0321898 -0.0321898 -0.0321898) to (5.46103 5.46103 5.46103) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.531033    256426.58       165.76 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.7200000000001 -3.19137910264164
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00144578514582 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale ${scale} remap
-change_box 	all x scale 1.00144578514582 y scale 1.00144578514582 z scale 1.00144578514582 remap
-  triclinic box = (-0.0361608 -0.0321898 -0.0321898) to (5.465 5.46103 5.46103) with tilt (0 0 0)
-  triclinic box = (-0.0361608 -0.0361608 -0.0321898) to (5.465 5.465 5.46103) with tilt (0 0 0)
-  triclinic box = (-0.0361608 -0.0361608 -0.0361608) to (5.465 5.465 5.465) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.644559    248858.32       166.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.8100000000003 -3.20556992846954
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00143954133473 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale ${scale} remap
-change_box 	all x scale 1.00143954133473 y scale 1.00143954133473 z scale 1.00143954133473 remap
-  triclinic box = (-0.0401203 -0.0361608 -0.0361608) to (5.46896 5.465 5.465) with tilt (0 0 0)
-  triclinic box = (-0.0401203 -0.0401203 -0.0361608) to (5.46896 5.46896 5.465) with tilt (0 0 0)
-  triclinic box = (-0.0401203 -0.0401203 -0.0401203) to (5.46896 5.46896 5.46896) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.754685    240961.62        167.2 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.9000000000003 -3.21933565066766
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00143335122124 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale ${scale} remap
-change_box 	all x scale 1.00143335122124 y scale 1.00143335122124 z scale 1.00143335122124 remap
-  triclinic box = (-0.0440686 -0.0401203 -0.0401203) to (5.4729 5.46896 5.46896) with tilt (0 0 0)
-  triclinic box = (-0.0440686 -0.0440686 -0.0401203) to (5.4729 5.4729 5.46896) with tilt (0 0 0)
-  triclinic box = (-0.0440686 -0.0440686 -0.0440686) to (5.4729 5.4729 5.4729) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.861049     232444.2       167.92 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-20.9900000000005 -3.23263106528897
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00142721411559 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale ${scale} remap
-change_box 	all x scale 1.00142721411559 y scale 1.00142721411559 z scale 1.00142721411559 remap
-  triclinic box = (-0.0480055 -0.0440686 -0.0440686) to (5.47684 5.4729 5.4729) with tilt (0 0 0)
-  triclinic box = (-0.0480055 -0.0480055 -0.0440686) to (5.47684 5.47684 5.4729) with tilt (0 0 0)
-  triclinic box = (-0.0480055 -0.0480055 -0.0480055) to (5.47684 5.47684 5.47684) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -25.963633    224145.09       168.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.0800000000004 -3.24545418655742
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00142112933981 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale ${scale} remap
-change_box 	all x scale 1.00142112933981 y scale 1.00142112933981 z scale 1.00142112933981 remap
-  triclinic box = (-0.0519313 -0.0480055 -0.0480055) to (5.48077 5.47684 5.47684) with tilt (0 0 0)
-  triclinic box = (-0.0519313 -0.0519313 -0.0480055) to (5.48077 5.48077 5.47684) with tilt (0 0 0)
-  triclinic box = (-0.0519313 -0.0519313 -0.0519313) to (5.48077 5.48077 5.48077) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.062537    216058.21       169.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.1700000000001 -3.2578171061398
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00141509622744 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale ${scale} remap
-change_box 	all x scale 1.00141509622744 y scale 1.00141509622744 z scale 1.00141509622744 remap
-  triclinic box = (-0.0558459 -0.0519313 -0.0519313) to (5.48468 5.48077 5.48077) with tilt (0 0 0)
-  triclinic box = (-0.0558459 -0.0558459 -0.0519313) to (5.48468 5.48468 5.48077) with tilt (0 0 0)
-  triclinic box = (-0.0558459 -0.0558459 -0.0558459) to (5.48468 5.48468 5.48468) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.157853    208177.66       170.08 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.2600000000005 -3.26973157905241
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00140911412325 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale ${scale} remap
-change_box 	all x scale 1.00140911412325 y scale 1.00140911412325 z scale 1.00140911412325 remap
-  triclinic box = (-0.0597495 -0.0558459 -0.0558459) to (5.48858 5.48468 5.48468) with tilt (0 0 0)
-  triclinic box = (-0.0597495 -0.0597495 -0.0558459) to (5.48858 5.48858 5.48468) with tilt (0 0 0)
-  triclinic box = (-0.0597495 -0.0597495 -0.0597495) to (5.48858 5.48858 5.48858) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.249672    200497.73        170.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.3500000000002 -3.28120903415515
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00140318238311 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale ${scale} remap
-change_box 	all x scale 1.00140318238311 y scale 1.00140318238311 z scale 1.00140318238311 remap
-  triclinic box = (-0.0636422 -0.0597495 -0.0597495) to (5.49248 5.48858 5.48858) with tilt (0 0 0)
-  triclinic box = (-0.0636422 -0.0636422 -0.0597495) to (5.49248 5.49248 5.48858) with tilt (0 0 0)
-  triclinic box = (-0.0636422 -0.0636422 -0.0636422) to (5.49248 5.49248 5.49248) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.338085    193012.87       171.52 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.4400000000004 -3.29226058428118
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00139730037362 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale ${scale} remap
-change_box 	all x scale 1.00139730037362 y scale 1.00139730037362 z scale 1.00139730037362 remap
-  triclinic box = (-0.067524 -0.0636422 -0.0636422) to (5.49636 5.49248 5.49248) with tilt (0 0 0)
-  triclinic box = (-0.067524 -0.067524 -0.0636422) to (5.49636 5.49636 5.49248) with tilt (0 0 0)
-  triclinic box = (-0.067524 -0.067524 -0.067524) to (5.49636 5.49636 5.49636) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.423176    185717.71       172.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.5300000000002 -3.3028970360141
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00139146747202 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale ${scale} remap
-change_box 	all x scale 1.00139146747202 y scale 1.00139146747202 z scale 1.00139146747202 remap
-  triclinic box = (-0.071395 -0.067524 -0.067524) to (5.50023 5.49636 5.49636) with tilt (0 0 0)
-  triclinic box = (-0.071395 -0.071395 -0.067524) to (5.50023 5.50023 5.49636) with tilt (0 0 0)
-  triclinic box = (-0.071395 -0.071395 -0.071395) to (5.50023 5.50023 5.50023) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.505031    178607.07       172.96 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.6200000000004 -3.31312889912851
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00138568306585 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale ${scale} remap
-change_box 	all x scale 1.00138568306585 y scale 1.00138568306585 z scale 1.00138568306585 remap
-  triclinic box = (-0.0752552 -0.071395 -0.071395) to (5.50409 5.50023 5.50023) with tilt (0 0 0)
-  triclinic box = (-0.0752552 -0.0752552 -0.071395) to (5.50409 5.50409 5.50023) with tilt (0 0 0)
-  triclinic box = (-0.0752552 -0.0752552 -0.0752552) to (5.50409 5.50409 5.50409) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.583731    171675.89       173.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.7100000000001 -3.32296639570479
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00137994655284 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale ${scale} remap
-change_box 	all x scale 1.00137994655284 y scale 1.00137994655284 z scale 1.00137994655284 remap
-  triclinic box = (-0.0791048 -0.0752552 -0.0752552) to (5.50794 5.50409 5.50409) with tilt (0 0 0)
-  triclinic box = (-0.0791048 -0.0791048 -0.0752552) to (5.50794 5.50794 5.50409) with tilt (0 0 0)
-  triclinic box = (-0.0791048 -0.0791048 -0.0791048) to (5.50794 5.50794 5.50794) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.659356    164919.29        174.4 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.7999999999999 -3.33241946893207
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00137425734062 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale ${scale} remap
-change_box 	all x scale 1.00137425734062 y scale 1.00137425734062 z scale 1.00137425734062 remap
-  triclinic box = (-0.0829438 -0.0791048 -0.0791048) to (5.51178 5.50794 5.50794) with tilt (0 0 0)
-  triclinic box = (-0.0829438 -0.0829438 -0.0791048) to (5.51178 5.51178 5.50794) with tilt (0 0 0)
-  triclinic box = (-0.0829438 -0.0829438 -0.0829438) to (5.51178 5.51178 5.51178) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.731982    158332.52       175.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    420 ave 420 max 420 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.89 -3.34149779161019
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00136861484656 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale ${scale} remap
-change_box 	all x scale 1.00136861484656 y scale 1.00136861484656 z scale 1.00136861484656 remap
-  triclinic box = (-0.0867724 -0.0829438 -0.0829438) to (5.51561 5.51178 5.51178) with tilt (0 0 0)
-  triclinic box = (-0.0867724 -0.0867724 -0.0829438) to (5.51561 5.51561 5.51178) with tilt (0 0 0)
-  triclinic box = (-0.0867724 -0.0867724 -0.0867724) to (5.51561 5.51561 5.51561) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.801686       151911       175.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-21.9800000000002 -3.35021077436259
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00136301849755 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale ${scale} remap
-change_box 	all x scale 1.00136301849755 y scale 1.00136301849755 z scale 1.00136301849755 remap
-  triclinic box = (-0.0905904 -0.0867724 -0.0867724) to (5.51943 5.51561 5.51561) with tilt (0 0 0)
-  triclinic box = (-0.0905904 -0.0905904 -0.0867724) to (5.51943 5.51943 5.51561) with tilt (0 0 0)
-  triclinic box = (-0.0905904 -0.0905904 -0.0905904) to (5.51943 5.51943 5.51943) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.868541    145650.26       176.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.0700000000002 -3.35856757357086
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00135746772984 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale ${scale} remap
-change_box 	all x scale 1.00135746772984 y scale 1.00135746772984 z scale 1.00135746772984 remap
-  triclinic box = (-0.0943981 -0.0905904 -0.0905904) to (5.52323 5.51943 5.51943) with tilt (0 0 0)
-  triclinic box = (-0.0943981 -0.0943981 -0.0905904) to (5.52323 5.52323 5.51943) with tilt (0 0 0)
-  triclinic box = (-0.0943981 -0.0943981 -0.0943981) to (5.52323 5.52323 5.52323) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.932617    139545.98       177.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.1600000000005 -3.36657709904146
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00135196198879 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale ${scale} remap
-change_box 	all x scale 1.00135196198879 y scale 1.00135196198879 z scale 1.00135196198879 remap
-  triclinic box = (-0.0981955 -0.0943981 -0.0943981) to (5.52703 5.52323 5.52323) with tilt (0 0 0)
-  triclinic box = (-0.0981955 -0.0981955 -0.0943981) to (5.52703 5.52703 5.52323) with tilt (0 0 0)
-  triclinic box = (-0.0981955 -0.0981955 -0.0981955) to (5.52703 5.52703 5.52703) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -26.993984    133593.97          178 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.2500000000003 -3.37424802141442
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00134650072876 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale ${scale} remap
-change_box 	all x scale 1.00134650072876 y scale 1.00134650072876 z scale 1.00134650072876 remap
-  triclinic box = (-0.101983 -0.0981955 -0.0981955) to (5.53082 5.52703 5.52703) with tilt (0 0 0)
-  triclinic box = (-0.101983 -0.101983 -0.0981955) to (5.53082 5.53082 5.52703) with tilt (0 0 0)
-  triclinic box = (-0.101983 -0.101983 -0.101983) to (5.53082 5.53082 5.53082) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -27.05271    127790.17       178.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.34 -3.38158877932393
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00134108341287 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale ${scale} remap
-change_box 	all x scale 1.00134108341287 y scale 1.00134108341287 z scale 1.00134108341287 remap
-  triclinic box = (-0.10576 -0.101983 -0.101983) to (5.53459 5.53082 5.53082) with tilt (0 0 0)
-  triclinic box = (-0.10576 -0.10576 -0.101983) to (5.53459 5.53459 5.53082) with tilt (0 0 0)
-  triclinic box = (-0.10576 -0.10576 -0.10576) to (5.53459 5.53459 5.53459) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.108861    122130.61       179.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.4299999999997 -3.38860758631982
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00133570951285 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale ${scale} remap
-change_box 	all x scale 1.00133570951285 y scale 1.00133570951285 z scale 1.00133570951285 remap
-  triclinic box = (-0.109527 -0.10576 -0.10576) to (5.53836 5.53459 5.53459) with tilt (0 0 0)
-  triclinic box = (-0.109527 -0.109527 -0.10576) to (5.53836 5.53836 5.53459) with tilt (0 0 0)
-  triclinic box = (-0.109527 -0.109527 -0.109527) to (5.53836 5.53836 5.53836) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0     -27.1625    116611.48       180.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.5199999999998 -3.39531243755874
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00133037850885 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale ${scale} remap
-change_box 	all x scale 1.00133037850885 y scale 1.00133037850885 z scale 1.00133037850885 remap
-  triclinic box = (-0.113284 -0.109527 -0.109527) to (5.54212 5.53836 5.53836) with tilt (0 0 0)
-  triclinic box = (-0.113284 -0.113284 -0.109527) to (5.54212 5.54212 5.53836) with tilt (0 0 0)
-  triclinic box = (-0.113284 -0.113284 -0.113284) to (5.54212 5.54212 5.54212) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.213689    111229.06       180.88 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.6099999999997 -3.40171111627368
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00132508988931 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale ${scale} remap
-change_box 	all x scale 1.00132508988931 y scale 1.00132508988931 z scale 1.00132508988931 remap
-  triclinic box = (-0.117031 -0.113284 -0.113284) to (5.54587 5.54212 5.54212) with tilt (0 0 0)
-  triclinic box = (-0.117031 -0.117031 -0.113284) to (5.54587 5.54587 5.54212) with tilt (0 0 0)
-  triclinic box = (-0.117031 -0.117031 -0.117031) to (5.54587 5.54587 5.54587) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -27.26249    105979.74        181.6 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.6999999999996 -3.40781120002994
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00131984315076 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale ${scale} remap
-change_box 	all x scale 1.00131984315076 y scale 1.00131984315076 z scale 1.00131984315076 remap
-  triclinic box = (-0.120768 -0.117031 -0.117031) to (5.5496 5.54587 5.54587) with tilt (0 0 0)
-  triclinic box = (-0.120768 -0.120768 -0.117031) to (5.5496 5.5496 5.54587) with tilt (0 0 0)
-  triclinic box = (-0.120768 -0.120768 -0.120768) to (5.5496 5.5496 5.5496) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.308961    100860.02       182.32 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.7899999999997 -3.4136200667752
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00131463779767 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale ${scale} remap
-change_box 	all x scale 1.00131463779767 y scale 1.00131463779767 z scale 1.00131463779767 remap
-  triclinic box = (-0.124495 -0.120768 -0.120768) to (5.55333 5.5496 5.5496) with tilt (0 0 0)
-  triclinic box = (-0.124495 -0.124495 -0.120768) to (5.55333 5.55333 5.5496) with tilt (0 0 0)
-  triclinic box = (-0.124495 -0.124495 -0.124495) to (5.55333 5.55333 5.55333) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.353159    95866.497       183.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.88 -3.41914490069132
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00130947334229 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale ${scale} remap
-change_box 	all x scale 1.00130947334229 y scale 1.00130947334229 z scale 1.00130947334229 remap
-  triclinic box = (-0.128212 -0.124495 -0.124495) to (5.55705 5.55333 5.55333) with tilt (0 0 0)
-  triclinic box = (-0.128212 -0.128212 -0.124495) to (5.55705 5.55705 5.55333) with tilt (0 0 0)
-  triclinic box = (-0.128212 -0.128212 -0.128212) to (5.55705 5.55705 5.55705) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.395142    90995.879       183.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-22.9699999999997 -3.424392697855
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00130434930454 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale ${scale} remap
-change_box 	all x scale 1.00130434930454 y scale 1.00130434930454 z scale 1.00130434930454 remap
-  triclinic box = (-0.13192 -0.128212 -0.128212) to (5.56076 5.55705 5.55705) with tilt (0 0 0)
-  triclinic box = (-0.13192 -0.13192 -0.128212) to (5.56076 5.56076 5.55705) with tilt (0 0 0)
-  triclinic box = (-0.13192 -0.13192 -0.13192) to (5.56076 5.56076 5.56076) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.434962    86244.961       184.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.0599999999998 -3.42937027171443
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00129926521177 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale ${scale} remap
-change_box 	all x scale 1.00129926521177 y scale 1.00129926521177 z scale 1.00129926521177 remap
-  triclinic box = (-0.135618 -0.13192 -0.13192) to (5.56445 5.56076 5.56076) with tilt (0 0 0)
-  triclinic box = (-0.135618 -0.135618 -0.13192) to (5.56445 5.56445 5.56076) with tilt (0 0 0)
-  triclinic box = (-0.135618 -0.135618 -0.135618) to (5.56445 5.56445 5.56445) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.472674    81610.631        185.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.1499999999995 -3.43408425838794
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00129422059873 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale ${scale} remap
-change_box 	all x scale 1.00129422059873 y scale 1.00129422059873 z scale 1.00129422059873 remap
-  triclinic box = (-0.139307 -0.135618 -0.135618) to (5.56814 5.56445 5.56445) with tilt (0 0 0)
-  triclinic box = (-0.139307 -0.139307 -0.135618) to (5.56814 5.56814 5.56445) with tilt (0 0 0)
-  triclinic box = (-0.139307 -0.139307 -0.139307) to (5.56814 5.56814 5.56814) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.508329    77089.868       185.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.2399999999998 -3.43854112179202
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00128921500731 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale ${scale} remap
-change_box 	all x scale 1.00128921500731 y scale 1.00128921500731 z scale 1.00128921500731 remap
-  triclinic box = (-0.142986 -0.139307 -0.139307) to (5.57182 5.56814 5.56814) with tilt (0 0 0)
-  triclinic box = (-0.142986 -0.142986 -0.139307) to (5.57182 5.57182 5.56814) with tilt (0 0 0)
-  triclinic box = (-0.142986 -0.142986 -0.142986) to (5.57182 5.57182 5.57182) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.541977    72679.738       186.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  560 ave 560 max 560 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 560
-Ave neighs/atom = 70
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.3299999999999 -3.4427471586037
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0012842479865 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale ${scale} remap
-change_box 	all x scale 1.0012842479865 y scale 1.0012842479865 z scale 1.0012842479865 remap
-  triclinic box = (-0.146656 -0.142986 -0.142986) to (5.57549 5.57182 5.57182) with tilt (0 0 0)
-  triclinic box = (-0.146656 -0.146656 -0.142986) to (5.57549 5.57549 5.57182) with tilt (0 0 0)
-  triclinic box = (-0.146656 -0.146656 -0.146656) to (5.57549 5.57549 5.57549) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.573668    68377.392       187.36 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.4199999999997 -3.44670850306418
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00127931909221 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale ${scale} remap
-change_box 	all x scale 1.00127931909221 y scale 1.00127931909221 z scale 1.00127931909221 remap
-  triclinic box = (-0.150316 -0.146656 -0.146656) to (5.57915 5.57549 5.57549) with tilt (0 0 0)
-  triclinic box = (-0.150316 -0.150316 -0.146656) to (5.57915 5.57915 5.57549) with tilt (0 0 0)
-  triclinic box = (-0.150316 -0.150316 -0.150316) to (5.57915 5.57915 5.57915) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.603449    64180.061       188.08 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.5100000000001 -3.45043113162863
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00127442788711 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale ${scale} remap
-change_box 	all x scale 1.00127442788711 y scale 1.00127442788711 z scale 1.00127442788711 remap
-  triclinic box = (-0.153967 -0.150316 -0.150316) to (5.5828 5.57915 5.57915) with tilt (0 0 0)
-  triclinic box = (-0.153967 -0.153967 -0.150316) to (5.5828 5.5828 5.57915) with tilt (0 0 0)
-  triclinic box = (-0.153967 -0.153967 -0.153967) to (5.5828 5.5828 5.5828) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.631367    60085.056        188.8 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.5999999999998 -3.45392086746794
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00126957394058 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale ${scale} remap
-change_box 	all x scale 1.00126957394058 y scale 1.00126957394058 z scale 1.00126957394058 remap
-  triclinic box = (-0.157608 -0.153967 -0.153967) to (5.58644 5.5828 5.5828) with tilt (0 0 0)
-  triclinic box = (-0.157608 -0.157608 -0.153967) to (5.58644 5.58644 5.5828) with tilt (0 0 0)
-  triclinic box = (-0.157608 -0.157608 -0.157608) to (5.58644 5.58644 5.58644) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.657467    56089.763       189.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.6899999999998 -3.45718338482772
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0012647568285 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale ${scale} remap
-change_box 	all x scale 1.0012647568285 y scale 1.0012647568285 z scale 1.0012647568285 remap
-  triclinic box = (-0.161241 -0.157608 -0.157608) to (5.59008 5.58644 5.58644) with tilt (0 0 0)
-  triclinic box = (-0.161241 -0.161241 -0.157608) to (5.59008 5.59008 5.58644) with tilt (0 0 0)
-  triclinic box = (-0.161241 -0.161241 -0.161241) to (5.59008 5.59008 5.59008) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.681794    52191.643       190.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.78 -3.46022421324915
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125997613317 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale ${scale} remap
-change_box 	all x scale 1.00125997613317 y scale 1.00125997613317 z scale 1.00125997613317 remap
-  triclinic box = (-0.164864 -0.161241 -0.161241) to (5.5937 5.59008 5.59008) with tilt (0 0 0)
-  triclinic box = (-0.164864 -0.164864 -0.161241) to (5.5937 5.5937 5.59008) with tilt (0 0 0)
-  triclinic box = (-0.164864 -0.164864 -0.164864) to (5.5937 5.5937 5.5937) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -27.70439    48388.229       190.96 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.8699999999999 -3.46304874165698
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125523144319 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale ${scale} remap
-change_box 	all x scale 1.00125523144319 y scale 1.00125523144319 z scale 1.00125523144319 remap
-  triclinic box = (-0.168478 -0.164864 -0.164864) to (5.59731 5.5937 5.5937) with tilt (0 0 0)
-  triclinic box = (-0.168478 -0.168478 -0.164864) to (5.59731 5.59731 5.5937) with tilt (0 0 0)
-  triclinic box = (-0.168478 -0.168478 -0.168478) to (5.59731 5.59731 5.59731) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.725298    44677.122       191.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-23.9599999999996 -3.46566222231901
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125052235334 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale ${scale} remap
-change_box 	all x scale 1.00125052235334 y scale 1.00125052235334 z scale 1.00125052235334 remap
-  triclinic box = (-0.172083 -0.168478 -0.168478) to (5.60092 5.59731 5.59731) with tilt (0 0 0)
-  triclinic box = (-0.172083 -0.172083 -0.168478) to (5.60092 5.60092 5.59731) with tilt (0 0 0)
-  triclinic box = (-0.172083 -0.172083 -0.172083) to (5.60092 5.60092 5.60092) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.744558    41055.991        192.4 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.0499999999997 -3.46806977468166
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00124584846443 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale ${scale} remap
-change_box 	all x scale 1.00124584846443 y scale 1.00124584846443 z scale 1.00124584846443 remap
-  triclinic box = (-0.175679 -0.172083 -0.172083) to (5.60451 5.60092 5.60092) with tilt (0 0 0)
-  triclinic box = (-0.175679 -0.175679 -0.172083) to (5.60451 5.60451 5.60092) with tilt (0 0 0)
-  triclinic box = (-0.175679 -0.175679 -0.175679) to (5.60451 5.60451 5.60451) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.762211     37522.57       193.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.1399999999998 -3.47027638908584
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00124120938324 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale ${scale} remap
-change_box 	all x scale 1.00124120938324 y scale 1.00124120938324 z scale 1.00124120938324 remap
-  triclinic box = (-0.179267 -0.175679 -0.175679) to (5.6081 5.60451 5.60451) with tilt (0 0 0)
-  triclinic box = (-0.179267 -0.179267 -0.175679) to (5.6081 5.6081 5.60451) with tilt (0 0 0)
-  triclinic box = (-0.179267 -0.179267 -0.179267) to (5.6081 5.6081 5.6081) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.778295    34074.656       193.84 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.2299999999998 -3.47228693036723
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00123660472238 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale ${scale} remap
-change_box 	all x scale 1.00123660472238 y scale 1.00123660472238 z scale 1.00123660472238 remap
-  triclinic box = (-0.182845 -0.179267 -0.179267) to (5.61168 5.6081 5.6081) with tilt (0 0 0)
-  triclinic box = (-0.182845 -0.182845 -0.179267) to (5.61168 5.61168 5.6081) with tilt (0 0 0)
-  triclinic box = (-0.182845 -0.182845 -0.182845) to (5.61168 5.61168 5.61168) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.792849    30710.109       194.56 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.3199999999999 -3.47410614134514
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00123203410018 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale ${scale} remap
-change_box 	all x scale 1.00123203410018 y scale 1.00123203410018 z scale 1.00123203410018 remap
-  triclinic box = (-0.186414 -0.182845 -0.182845) to (5.61525 5.61168 5.61168) with tilt (0 0 0)
-  triclinic box = (-0.186414 -0.186414 -0.182845) to (5.61525 5.61525 5.61168) with tilt (0 0 0)
-  triclinic box = (-0.186414 -0.186414 -0.186414) to (5.61525 5.61525 5.61525) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.805909    27426.844       195.28 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.4099999999996 -3.47573864620345
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00122749714061 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale ${scale} remap
-change_box 	all x scale 1.00122749714061 y scale 1.00122749714061 z scale 1.00122749714061 remap
-  triclinic box = (-0.189975 -0.186414 -0.186414) to (5.61881 5.61525 5.61525) with tilt (0 0 0)
-  triclinic box = (-0.189975 -0.189975 -0.186414) to (5.61881 5.61881 5.61525) with tilt (0 0 0)
-  triclinic box = (-0.189975 -0.189975 -0.189975) to (5.61881 5.61881 5.61881) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.817512    24222.838          196 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.4999999999996 -3.47718895376758
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00122299347313 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale ${scale} remap
-change_box 	all x scale 1.00122299347313 y scale 1.00122299347313 z scale 1.00122299347313 remap
-  triclinic box = (-0.193527 -0.189975 -0.189975) to (5.62236 5.61881 5.61881) with tilt (0 0 0)
-  triclinic box = (-0.193527 -0.193527 -0.189975) to (5.62236 5.62236 5.61881) with tilt (0 0 0)
-  triclinic box = (-0.193527 -0.193527 -0.193527) to (5.62236 5.62236 5.62236) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.827692     21096.12       196.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.5899999999993 -3.4784614606809
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00121852273265 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale ${scale} remap
-change_box 	all x scale 1.00121852273265 y scale 1.00121852273265 z scale 1.00121852273265 remap
-  triclinic box = (-0.197071 -0.193527 -0.193527) to (5.62591 5.62236 5.62236) with tilt (0 0 0)
-  triclinic box = (-0.197071 -0.197071 -0.193527) to (5.62591 5.62591 5.62236) with tilt (0 0 0)
-  triclinic box = (-0.197071 -0.197071 -0.197071) to (5.62591 5.62591 5.62591) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.836484    18044.775       197.44 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.6799999999993 -3.47956045448403
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00121408455937 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale ${scale} remap
-change_box 	all x scale 1.00121408455937 y scale 1.00121408455937 z scale 1.00121408455937 remap
-  triclinic box = (-0.200605 -0.197071 -0.197071) to (5.62944 5.62591 5.62591) with tilt (0 0 0)
-  triclinic box = (-0.200605 -0.200605 -0.197071) to (5.62944 5.62944 5.62591) with tilt (0 0 0)
-  triclinic box = (-0.200605 -0.200605 -0.200605) to (5.62944 5.62944 5.62944) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.843921    15066.941       198.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.769999999999 -3.48049011660029
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120967859874 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale ${scale} remap
-change_box 	all x scale 1.00120967859874 y scale 1.00120967859874 z scale 1.00120967859874 remap
-  triclinic box = (-0.204132 -0.200605 -0.200605) to (5.63297 5.62944 5.62944) with tilt (0 0 0)
-  triclinic box = (-0.204132 -0.204132 -0.200605) to (5.63297 5.63297 5.62944) with tilt (0 0 0)
-  triclinic box = (-0.204132 -0.204132 -0.204132) to (5.63297 5.63297 5.63297) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.850036    12160.805       198.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.859999999999 -3.48125452523046
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120530450131 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale ${scale} remap
-change_box 	all x scale 1.00120530450131 y scale 1.00120530450131 z scale 1.00120530450131 remap
-  triclinic box = (-0.207649 -0.204132 -0.204132) to (5.63648 5.63297 5.63297) with tilt (0 0 0)
-  triclinic box = (-0.207649 -0.207649 -0.204132) to (5.63648 5.63648 5.63297) with tilt (0 0 0)
-  triclinic box = (-0.207649 -0.207649 -0.207649) to (5.63648 5.63648 5.63648) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.854861     9324.604        199.6 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-24.9499999999988 -3.4818576581599
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120096192269 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale ${scale} remap
-change_box 	all x scale 1.00120096192269 y scale 1.00120096192269 z scale 1.00120096192269 remap
-  triclinic box = (-0.211159 -0.207649 -0.207649) to (5.63999 5.63648 5.63648) with tilt (0 0 0)
-  triclinic box = (-0.211159 -0.211159 -0.207649) to (5.63999 5.63999 5.63648) with tilt (0 0 0)
-  triclinic box = (-0.211159 -0.211159 -0.211159) to (5.63999 5.63999 5.63999) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.858427    6556.6223       200.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.0399999999985 -3.48230339548106
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00119665052343 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale ${scale} remap
-change_box 	all x scale 1.00119665052343 y scale 1.00119665052343 z scale 1.00119665052343 remap
-  triclinic box = (-0.21466 -0.211159 -0.211159) to (5.64349 5.63999 5.63999) with tilt (0 0 0)
-  triclinic box = (-0.21466 -0.21466 -0.211159) to (5.64349 5.64349 5.63999) with tilt (0 0 0)
-  triclinic box = (-0.21466 -0.21466 -0.21466) to (5.64349 5.64349 5.64349) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.860764    3855.1909       201.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.1299999999987 -3.48259552223389
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00119236996892 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale ${scale} remap
-change_box 	all x scale 1.00119236996892 y scale 1.00119236996892 z scale 1.00119236996892 remap
-  triclinic box = (-0.218152 -0.21466 -0.21466) to (5.64699 5.64349 5.64349) with tilt (0 0 0)
-  triclinic box = (-0.218152 -0.218152 -0.21466) to (5.64699 5.64699 5.64349) with tilt (0 0 0)
-  triclinic box = (-0.218152 -0.218152 -0.218152) to (5.64699 5.64699 5.64699) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.861902    1218.6858       201.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.2199999999989 -3.48273773096731
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00118811992934 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale ${scale} remap
-change_box 	all x scale 1.00118811992934 y scale 1.00118811992934 z scale 1.00118811992934 remap
-  triclinic box = (-0.221636 -0.218152 -0.218152) to (5.65047 5.64699 5.64699) with tilt (0 0 0)
-  triclinic box = (-0.221636 -0.221636 -0.218152) to (5.65047 5.65047 5.64699) with tilt (0 0 0)
-  triclinic box = (-0.221636 -0.221636 -0.221636) to (5.65047 5.65047 5.65047) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.861869   -1354.4738       202.48 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.3099999999989 -3.48273362422406
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00118390007955 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale ${scale} remap
-change_box 	all x scale 1.00118390007955 y scale 1.00118390007955 z scale 1.00118390007955 remap
-  triclinic box = (-0.225112 -0.221636 -0.221636) to (5.65395 5.65047 5.65047) with tilt (0 0 0)
-  triclinic box = (-0.225112 -0.225112 -0.221636) to (5.65395 5.65395 5.65047) with tilt (0 0 0)
-  triclinic box = (-0.225112 -0.225112 -0.225112) to (5.65395 5.65395 5.65395) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.860694   -3865.8261        203.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.3999999999989 -3.48258671695145
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117971009901 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale ${scale} remap
-change_box 	all x scale 1.00117971009901 y scale 1.00117971009901 z scale 1.00117971009901 remap
-  triclinic box = (-0.22858 -0.225112 -0.225112) to (5.65742 5.65395 5.65395) with tilt (0 0 0)
-  triclinic box = (-0.22858 -0.22858 -0.225112) to (5.65742 5.65742 5.65395) with tilt (0 0 0)
-  triclinic box = (-0.22858 -0.22858 -0.22858) to (5.65742 5.65742 5.65742) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.858404   -6316.8685       203.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.4899999999987 -3.48230043884065
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117554967171 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale ${scale} remap
-change_box 	all x scale 1.00117554967171 y scale 1.00117554967171 z scale 1.00117554967171 remap
-  triclinic box = (-0.23204 -0.22858 -0.22858) to (5.66088 5.65742 5.65742) with tilt (0 0 0)
-  triclinic box = (-0.23204 -0.23204 -0.22858) to (5.66088 5.66088 5.65742) with tilt (0 0 0)
-  triclinic box = (-0.23204 -0.23204 -0.23204) to (5.66088 5.66088 5.66088) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.855025   -8709.0584       204.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.5799999999985 -3.48187813659671
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117141848607 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale ${scale} remap
-change_box 	all x scale 1.00117141848607 y scale 1.00117141848607 z scale 1.00117141848607 remap
-  triclinic box = (-0.235491 -0.23204 -0.23204) to (5.66433 5.66088 5.66088) with tilt (0 0 0)
-  triclinic box = (-0.235491 -0.235491 -0.23204) to (5.66433 5.66433 5.66088) with tilt (0 0 0)
-  triclinic box = (-0.235491 -0.235491 -0.235491) to (5.66433 5.66433 5.66433) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.850585   -11043.815       205.36 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.6699999999982 -3.48132307614154
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00116731623489 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale ${scale} remap
-change_box 	all x scale 1.00116731623489 y scale 1.00116731623489 z scale 1.00116731623489 remap
-  triclinic box = (-0.238935 -0.235491 -0.235491) to (5.66777 5.66433 5.66433) with tilt (0 0 0)
-  triclinic box = (-0.238935 -0.238935 -0.235491) to (5.66777 5.66777 5.66433) with tilt (0 0 0)
-  triclinic box = (-0.238935 -0.238935 -0.238935) to (5.66777 5.66777 5.66777) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.845108   -13322.519       206.08 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.7599999999983 -3.48063844475218
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00116324261524 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale ${scale} remap
-change_box 	all x scale 1.00116324261524 y scale 1.00116324261524 z scale 1.00116324261524 remap
-  triclinic box = (-0.24237 -0.238935 -0.238935) to (5.67121 5.66777 5.66777) with tilt (0 0 0)
-  triclinic box = (-0.24237 -0.24237 -0.238935) to (5.67121 5.67121 5.66777) with tilt (0 0 0)
-  triclinic box = (-0.24237 -0.24237 -0.24237) to (5.67121 5.67121 5.67121) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.838619   -15546.516        206.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.8499999999986 -3.47982735313635
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115919732841 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale ${scale} remap
-change_box 	all x scale 1.00115919732841 y scale 1.00115919732841 z scale 1.00115919732841 remap
-  triclinic box = (-0.245798 -0.24237 -0.24237) to (5.67463 5.67121 5.67121) with tilt (0 0 0)
-  triclinic box = (-0.245798 -0.245798 -0.24237) to (5.67463 5.67463 5.67121) with tilt (0 0 0)
-  triclinic box = (-0.245798 -0.245798 -0.245798) to (5.67463 5.67463 5.67463) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.831143   -17717.116       207.52 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-25.9399999999987 -3.47889283744737
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115518007984 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale ${scale} remap
-change_box 	all x scale 1.00115518007984 y scale 1.00115518007984 z scale 1.00115518007984 remap
-  triclinic box = (-0.249217 -0.245798 -0.245798) to (5.67805 5.67463 5.67463) with tilt (0 0 0)
-  triclinic box = (-0.249217 -0.249217 -0.245798) to (5.67805 5.67805 5.67463) with tilt (0 0 0)
-  triclinic box = (-0.249217 -0.249217 -0.249217) to (5.67805 5.67805 5.67805) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.822703   -19835.593       208.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.0299999999988 -3.47783786124029
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115119057903 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale ${scale} remap
-change_box 	all x scale 1.00115119057903 y scale 1.00115119057903 z scale 1.00115119057903 remap
-  triclinic box = (-0.252629 -0.249217 -0.249217) to (5.68146 5.67805 5.67805) with tilt (0 0 0)
-  triclinic box = (-0.252629 -0.252629 -0.249217) to (5.68146 5.68146 5.67805) with tilt (0 0 0)
-  triclinic box = (-0.252629 -0.252629 -0.252629) to (5.68146 5.68146 5.68146) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.813323    -21903.19       208.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.1199999999987 -3.47666531737132
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00114722853949 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale ${scale} remap
-change_box 	all x scale 1.00114722853949 y scale 1.00114722853949 z scale 1.00114722853949 remap
-  triclinic box = (-0.256033 -0.252629 -0.252629) to (5.68487 5.68146 5.68146) with tilt (0 0 0)
-  triclinic box = (-0.256033 -0.256033 -0.252629) to (5.68487 5.68487 5.68146) with tilt (0 0 0)
-  triclinic box = (-0.256033 -0.256033 -0.256033) to (5.68487 5.68487 5.68487) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.803024   -23921.116       209.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.209999999999 -3.47537802984216
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00114329367864 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale ${scale} remap
-change_box 	all x scale 1.00114329367864 y scale 1.00114329367864 z scale 1.00114329367864 remap
-  triclinic box = (-0.259429 -0.256033 -0.256033) to (5.68826 5.68487 5.68487) with tilt (0 0 0)
-  triclinic box = (-0.259429 -0.259429 -0.256033) to (5.68826 5.68826 5.68487) with tilt (0 0 0)
-  triclinic box = (-0.259429 -0.259429 -0.259429) to (5.68826 5.68826 5.68826) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -27.79183    -25890.55        210.4 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.2999999999991 -3.4739787555912
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113938571778 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale ${scale} remap
-change_box 	all x scale 1.00113938571778 y scale 1.00113938571778 z scale 1.00113938571778 remap
-  triclinic box = (-0.262817 -0.259429 -0.259429) to (5.69165 5.68826 5.68826) with tilt (0 0 0)
-  triclinic box = (-0.262817 -0.262817 -0.259429) to (5.69165 5.69165 5.68826) with tilt (0 0 0)
-  triclinic box = (-0.262817 -0.262817 -0.262817) to (5.69165 5.69165 5.69165) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.779761   -27812.639       211.12 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.3899999999989 -3.47247018623304
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113550438201 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale ${scale} remap
-change_box 	all x scale 1.00113550438201 y scale 1.00113550438201 z scale 1.00113550438201 remap
-  triclinic box = (-0.266198 -0.262817 -0.262817) to (5.69503 5.69165 5.69165) with tilt (0 0 0)
-  triclinic box = (-0.266198 -0.266198 -0.262817) to (5.69503 5.69503 5.69165) with tilt (0 0 0)
-  triclinic box = (-0.266198 -0.266198 -0.266198) to (5.69503 5.69503 5.69503) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0    -27.76684   -29688.502       211.84 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.4799999999987 -3.47085494974826
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113164940016 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale ${scale} remap
-change_box 	all x scale 1.00113164940016 y scale 1.00113164940016 z scale 1.00113164940016 remap
-  triclinic box = (-0.269571 -0.266198 -0.266198) to (5.69841 5.69503 5.69503) with tilt (0 0 0)
-  triclinic box = (-0.269571 -0.269571 -0.266198) to (5.69841 5.69841 5.69503) with tilt (0 0 0)
-  triclinic box = (-0.269571 -0.269571 -0.269571) to (5.69841 5.69841 5.69841) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.753085   -31519.227       212.56 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.5699999999991 -3.46913561212469
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112782050471 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale ${scale} remap
-change_box 	all x scale 1.00112782050471 y scale 1.00112782050471 z scale 1.00112782050471 remap
-  triclinic box = (-0.272937 -0.269571 -0.269571) to (5.70177 5.69841 5.69841) with tilt (0 0 0)
-  triclinic box = (-0.272937 -0.272937 -0.269571) to (5.70177 5.70177 5.69841) with tilt (0 0 0)
-  triclinic box = (-0.272937 -0.272937 -0.272937) to (5.70177 5.70177 5.70177) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.738517   -33305.877       213.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.6599999999992 -3.46731467895206
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112401743178 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale ${scale} remap
-change_box 	all x scale 1.00112401743178 y scale 1.00112401743178 z scale 1.00112401743178 remap
-  triclinic box = (-0.276294 -0.272937 -0.272937) to (5.70513 5.70177 5.70177) with tilt (0 0 0)
-  triclinic box = (-0.276294 -0.276294 -0.272937) to (5.70513 5.70513 5.70177) with tilt (0 0 0)
-  triclinic box = (-0.276294 -0.276294 -0.276294) to (5.70513 5.70513 5.70513) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.723157   -35049.484          214 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.7499999999995 -3.46539459697116
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112023992101 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale ${scale} remap
-change_box 	all x scale 1.00112023992101 y scale 1.00112023992101 z scale 1.00112023992101 remap
-  triclinic box = (-0.279645 -0.276294 -0.276294) to (5.70848 5.70513 5.70513) with tilt (0 0 0)
-  triclinic box = (-0.279645 -0.279645 -0.276294) to (5.70848 5.70848 5.70513) with tilt (0 0 0)
-  triclinic box = (-0.279645 -0.279645 -0.279645) to (5.70848 5.70848 5.70848) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.707022   -36751.057       214.72 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.8399999999993 -3.46337775557919
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00111648771556 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale ${scale} remap
-change_box 	all x scale 1.00111648771556 y scale 1.00111648771556 z scale 1.00111648771556 remap
-  triclinic box = (-0.282988 -0.279645 -0.279645) to (5.71182 5.70848 5.70848) with tilt (0 0 0)
-  triclinic box = (-0.282988 -0.282988 -0.279645) to (5.71182 5.71182 5.70848) with tilt (0 0 0)
-  triclinic box = (-0.282988 -0.282988 -0.282988) to (5.71182 5.71182 5.71182) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.690132   -38411.578       215.44 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-26.9299999999997 -3.46126648829251
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00111276056198 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale ${scale} remap
-change_box 	all x scale 1.00111276056198 y scale 1.00111276056198 z scale 1.00111276056198 remap
-  triclinic box = (-0.286323 -0.282988 -0.282988) to (5.71516 5.71182 5.71182) with tilt (0 0 0)
-  triclinic box = (-0.286323 -0.286323 -0.282988) to (5.71516 5.71516 5.71182) with tilt (0 0 0)
-  triclinic box = (-0.286323 -0.286323 -0.286323) to (5.71516 5.71516 5.71516) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.672509   -39943.013       216.16 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.0199999999998 -3.45906362981948
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110905821022 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale ${scale} remap
-change_box 	all x scale 1.00110905821022 y scale 1.00110905821022 z scale 1.00110905821022 remap
-  triclinic box = (-0.289651 -0.286323 -0.286323) to (5.71849 5.71516 5.71516) with tilt (0 0 0)
-  triclinic box = (-0.289651 -0.289651 -0.286323) to (5.71849 5.71849 5.71516) with tilt (0 0 0)
-  triclinic box = (-0.289651 -0.289651 -0.289651) to (5.71849 5.71849 5.71849) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.654292   -41126.388       216.88 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.1099999999995 -3.45678648875684
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110538041355 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale ${scale} remap
-change_box 	all x scale 1.00110538041355 y scale 1.00110538041355 z scale 1.00110538041355 remap
-  triclinic box = (-0.292972 -0.289651 -0.289651) to (5.72181 5.71849 5.71849) with tilt (0 0 0)
-  triclinic box = (-0.292972 -0.292972 -0.289651) to (5.72181 5.72181 5.71849) with tilt (0 0 0)
-  triclinic box = (-0.292972 -0.292972 -0.292972) to (5.72181 5.72181 5.72181) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.635551   -42275.674        217.6 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.1999999999992 -3.45444383466799
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110172692849 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale ${scale} remap
-change_box 	all x scale 1.00110172692849 y scale 1.00110172692849 z scale 1.00110172692849 remap
-  triclinic box = (-0.296285 -0.292972 -0.292972) to (5.72512 5.72181 5.72181) with tilt (0 0 0)
-  triclinic box = (-0.296285 -0.296285 -0.292972) to (5.72512 5.72512 5.72181) with tilt (0 0 0)
-  triclinic box = (-0.296285 -0.296285 -0.296285) to (5.72512 5.72512 5.72512) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0     -27.6163   -43391.705       218.32 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.2899999999996 -3.45203755895375
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109809751476 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale ${scale} remap
-change_box 	all x scale 1.00109809751476 y scale 1.00109809751476 z scale 1.00109809751476 remap
-  triclinic box = (-0.299591 -0.296285 -0.296285) to (5.72843 5.72512 5.72512) with tilt (0 0 0)
-  triclinic box = (-0.299591 -0.299591 -0.296285) to (5.72843 5.72843 5.72512) with tilt (0 0 0)
-  triclinic box = (-0.299591 -0.299591 -0.299591) to (5.72843 5.72843 5.72843) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.596556   -44475.291       219.04 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.3799999999999 -3.44956950680041
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109449193525 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale ${scale} remap
-change_box 	all x scale 1.00109449193525 y scale 1.00109449193525 z scale 1.00109449193525 remap
-  triclinic box = (-0.30289 -0.299591 -0.299591) to (5.73172 5.72843 5.72843) with tilt (0 0 0)
-  triclinic box = (-0.30289 -0.30289 -0.299591) to (5.73172 5.73172 5.72843) with tilt (0 0 0)
-  triclinic box = (-0.30289 -0.30289 -0.30289) to (5.73172 5.73172 5.73172) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.576332   -45527.226       219.76 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.4700000000001 -3.44704147836752
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109090995595 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale ${scale} remap
-change_box 	all x scale 1.00109090995595 y scale 1.00109090995595 z scale 1.00109090995595 remap
-  triclinic box = (-0.306181 -0.30289 -0.30289) to (5.73502 5.73172 5.73172) with tilt (0 0 0)
-  triclinic box = (-0.306181 -0.306181 -0.30289) to (5.73502 5.73502 5.73172) with tilt (0 0 0)
-  triclinic box = (-0.306181 -0.306181 -0.306181) to (5.73502 5.73502 5.73502) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.555642   -46548.278       220.48 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.5599999999998 -3.44445522994241
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108735134592 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale ${scale} remap
-change_box 	all x scale 1.00108735134592 y scale 1.00108735134592 z scale 1.00108735134592 remap
-  triclinic box = (-0.309466 -0.306181 -0.306181) to (5.7383 5.73502 5.73502) with tilt (0 0 0)
-  triclinic box = (-0.309466 -0.309466 -0.306181) to (5.7383 5.7383 5.73502) with tilt (0 0 0)
-  triclinic box = (-0.309466 -0.309466 -0.309466) to (5.7383 5.7383 5.7383) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0     -27.5345   -47539.201        221.2 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.6500000000002 -3.44181247506245
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108381587718 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale ${scale} remap
-change_box 	all x scale 1.00108381587718 y scale 1.00108381587718 z scale 1.00108381587718 remap
-  triclinic box = (-0.312743 -0.309466 -0.309466) to (5.74158 5.7383 5.7383) with tilt (0 0 0)
-  triclinic box = (-0.312743 -0.312743 -0.309466) to (5.74158 5.74158 5.7383) with tilt (0 0 0)
-  triclinic box = (-0.312743 -0.312743 -0.312743) to (5.74158 5.74158 5.74158) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.512919   -48500.725       221.92 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.74 -3.43911488560607
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108030332476 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale ${scale} remap
-change_box 	all x scale 1.00108030332476 y scale 1.00108030332476 z scale 1.00108030332476 remap
-  triclinic box = (-0.316013 -0.312743 -0.312743) to (5.74485 5.74158 5.74158) with tilt (0 0 0)
-  triclinic box = (-0.316013 -0.316013 -0.312743) to (5.74485 5.74485 5.74158) with tilt (0 0 0)
-  triclinic box = (-0.316013 -0.316013 -0.316013) to (5.74485 5.74485 5.74485) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.490913   -49433.564       222.64 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.8300000000003 -3.43636409285328
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00107681346655 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale ${scale} remap
-change_box 	all x scale 1.00107681346655 y scale 1.00107681346655 z scale 1.00107681346655 remap
-  triclinic box = (-0.319277 -0.316013 -0.316013) to (5.74811 5.74485 5.74485) with tilt (0 0 0)
-  triclinic box = (-0.319277 -0.319277 -0.316013) to (5.74811 5.74811 5.74485) with tilt (0 0 0)
-  triclinic box = (-0.319277 -0.319277 -0.319277) to (5.74811 5.74811 5.74811) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.468494   -50338.414       223.36 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-27.9200000000003 -3.43356168851709
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00107334608333 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale ${scale} remap
-change_box 	all x scale 1.00107334608333 y scale 1.00107334608333 z scale 1.00107334608333 remap
-  triclinic box = (-0.322533 -0.319277 -0.319277) to (5.75137 5.74811 5.74811) with tilt (0 0 0)
-  triclinic box = (-0.322533 -0.322533 -0.319277) to (5.75137 5.75137 5.74811) with tilt (0 0 0)
-  triclinic box = (-0.322533 -0.322533 -0.322533) to (5.75137 5.75137 5.75137) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.445674   -51215.952       224.08 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.0100000000003 -3.43070922574611
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106990095868 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale ${scale} remap
-change_box 	all x scale 1.00106990095868 y scale 1.00106990095868 z scale 1.00106990095868 remap
-  triclinic box = (-0.325782 -0.322533 -0.322533) to (5.75462 5.75137 5.75137) with tilt (0 0 0)
-  triclinic box = (-0.325782 -0.325782 -0.322533) to (5.75462 5.75462 5.75137) with tilt (0 0 0)
-  triclinic box = (-0.325782 -0.325782 -0.325782) to (5.75462 5.75462 5.75462) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.422466   -52066.839        224.8 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.0999999999999 -3.42780822009964
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106647787897 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale ${scale} remap
-change_box 	all x scale 1.00106647787897 y scale 1.00106647787897 z scale 1.00106647787897 remap
-  triclinic box = (-0.329024 -0.325782 -0.325782) to (5.75786 5.75462 5.75462) with tilt (0 0 0)
-  triclinic box = (-0.329024 -0.329024 -0.325782) to (5.75786 5.75786 5.75462) with tilt (0 0 0)
-  triclinic box = (-0.329024 -0.329024 -0.329024) to (5.75786 5.75786 5.75786) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.398881    -52891.72       225.52 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.1900000000001 -3.424860150496
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106307663326 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale ${scale} remap
-change_box 	all x scale 1.00106307663326 y scale 1.00106307663326 z scale 1.00106307663326 remap
-  triclinic box = (-0.33226 -0.329024 -0.329024) to (5.76109 5.75786 5.75786) with tilt (0 0 0)
-  triclinic box = (-0.33226 -0.33226 -0.329024) to (5.76109 5.76109 5.75786) with tilt (0 0 0)
-  triclinic box = (-0.33226 -0.33226 -0.33226) to (5.76109 5.76109 5.76109) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.374932   -53691.221       226.24 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.28 -3.42186646013476
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105969701333 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale ${scale} remap
-change_box 	all x scale 1.00105969701333 y scale 1.00105969701333 z scale 1.00105969701333 remap
-  triclinic box = (-0.335488 -0.33226 -0.33226) to (5.76432 5.76109 5.76109) with tilt (0 0 0)
-  triclinic box = (-0.335488 -0.335488 -0.33226) to (5.76432 5.76432 5.76109) with tilt (0 0 0)
-  triclinic box = (-0.335488 -0.335488 -0.335488) to (5.76432 5.76432 5.76432) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.350628   -54465.955       226.96 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.3700000000003 -3.41882855739378
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105633881357 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale ${scale} remap
-change_box 	all x scale 1.00105633881357 y scale 1.00105633881357 z scale 1.00105633881357 remap
-  triclinic box = (-0.33871 -0.335488 -0.335488) to (5.76755 5.76432 5.76432) with tilt (0 0 0)
-  triclinic box = (-0.33871 -0.33871 -0.335488) to (5.76755 5.76755 5.76432) with tilt (0 0 0)
-  triclinic box = (-0.33871 -0.33871 -0.33871) to (5.76755 5.76755 5.76755) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.325983   -55216.518       227.68 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.4600000000007 -3.4157478167018
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105300183098 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale ${scale} remap
-change_box 	all x scale 1.00105300183098 y scale 1.00105300183098 z scale 1.00105300183098 remap
-  triclinic box = (-0.341925 -0.33871 -0.33871) to (5.77076 5.76755 5.76755) with tilt (0 0 0)
-  triclinic box = (-0.341925 -0.341925 -0.33871) to (5.77076 5.77076 5.76755) with tilt (0 0 0)
-  triclinic box = (-0.341925 -0.341925 -0.341925) to (5.77076 5.77076 5.77076) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.301005   -55943.493        228.4 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.5500000000008 -3.41262557938724
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104968586512 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale ${scale} remap
-change_box 	all x scale 1.00104968586512 y scale 1.00104968586512 z scale 1.00104968586512 remap
-  triclinic box = (-0.345133 -0.341925 -0.341925) to (5.77397 5.77076 5.77076) with tilt (0 0 0)
-  triclinic box = (-0.345133 -0.345133 -0.341925) to (5.77397 5.77397 5.77076) with tilt (0 0 0)
-  triclinic box = (-0.345133 -0.345133 -0.345133) to (5.77397 5.77397 5.77397) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.275705   -56647.446       229.12 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.6400000000005 -3.40946315450402
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104639071808 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale ${scale} remap
-change_box 	all x scale 1.00104639071808 y scale 1.00104639071808 z scale 1.00104639071808 remap
-  triclinic box = (-0.348335 -0.345133 -0.345133) to (5.77717 5.77397 5.77397) with tilt (0 0 0)
-  triclinic box = (-0.348335 -0.348335 -0.345133) to (5.77717 5.77717 5.77397) with tilt (0 0 0)
-  triclinic box = (-0.348335 -0.348335 -0.348335) to (5.77717 5.77717 5.77717) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.250095   -57328.932       229.84 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.7300000000009 -3.40626181963491
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104311619438 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale ${scale} remap
-change_box 	all x scale 1.00104311619438 y scale 1.00104311619438 z scale 1.00104311619438 remap
-  triclinic box = (-0.351529 -0.348335 -0.348335) to (5.78036 5.77717 5.77717) with tilt (0 0 0)
-  triclinic box = (-0.351529 -0.351529 -0.348335) to (5.78036 5.78036 5.77717) with tilt (0 0 0)
-  triclinic box = (-0.351529 -0.351529 -0.351529) to (5.78036 5.78036 5.78036) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.224183   -57988.489       230.56 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.8200000000006 -3.40302282167349
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00103986210104 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale ${scale} remap
-change_box 	all x scale 1.00103986210104 y scale 1.00103986210104 z scale 1.00103986210104 remap
-  triclinic box = (-0.354718 -0.351529 -0.351529) to (5.78355 5.78036 5.78036) with tilt (0 0 0)
-  triclinic box = (-0.354718 -0.354718 -0.351529) to (5.78355 5.78355 5.78036) with tilt (0 0 0)
-  triclinic box = (-0.354718 -0.354718 -0.354718) to (5.78355 5.78355 5.78355) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.197979   -58626.644       231.28 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-28.9100000000005 -3.39974737758459
-
-next 		i
-jump 		SELF loop
-variable 	i loop ${ndelta}
-variable 	i loop 100
-
-change_box 	all x scale ${scale} y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00103662824744 y scale ${scale} z scale ${scale} remap
-change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale ${scale} remap
-change_box 	all x scale 1.00103662824744 y scale 1.00103662824744 z scale 1.00103662824744 remap
-  triclinic box = (-0.357899 -0.354718 -0.354718) to (5.78673 5.78355 5.78355) with tilt (0 0 0)
-  triclinic box = (-0.357899 -0.357899 -0.354718) to (5.78673 5.78673 5.78355) with tilt (0 0 0)
-  triclinic box = (-0.357899 -0.357899 -0.357899) to (5.78673 5.78673 5.78673) with tilt (0 0 0)
-
-# calculate energy
-# no energy minimization needed for zincblende
-
-run 		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 2.31867 Mbytes
-Step Temp PotEng Press Volume 
-       0            0   -27.171493   -59243.909          232 
-Loop time of 0 on 1 procs for 0 steps with 8 atoms
-
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0          | 0          | 0          |   0.0 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0          | 0          | 0          |   0.0 |  0.00
-Output  | 0          | 0          | 0          |   0.0 |  0.00
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
-
-Nlocal:    8 ave 8 max 8 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    272 ave 272 max 272 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  368 ave 368 max 368 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 368
-Ave neighs/atom = 46
-Neighbor list builds = 0
-Dangerous builds = 0
-print 		"${volatom} ${eatom}" append ${evsvolfile}
-print 		"${volatom} ${eatom}" append evsvol.dat
-29.0000000000008 -3.39643667514478
-
-next 		i
-jump 		SELF loop
-Total wall time: 0:00:00
diff --git a/examples/vashishta/log.5Oct16.vashishta.sio2.g++.1 b/examples/vashishta/log.5Oct16.vashishta.sio2.g++.1
deleted file mode 100644
index a76309d776..0000000000
--- a/examples/vashishta/log.5Oct16.vashishta.sio2.g++.1
+++ /dev/null
@@ -1,86 +0,0 @@
-LAMMPS (5 Oct 2016)
-# test Vashishta potential for quartz
-
-units		metal
-boundary	p p p
-
-atom_style	atomic
-
-read_data	data.quartz
-  triclinic box = (0 0 0) to (4.9134 4.25513 5.4052) with tilt (-2.4567 0 0)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  9 atoms
-
-replicate       4 4 4
-  triclinic box = (0 0 0) to (19.6536 17.0205 21.6208) with tilt (-9.8268 0 0)
-  1 by 1 by 1 MPI processor grid
-  576 atoms
-velocity	all create 2000.0 277387 mom yes
-displace_atoms	all move 0.05 0.9 0.4 units box
-
-pair_style 	vashishta
-pair_coeff	* *  SiO.1990.vashishta Si O
-Reading potential file SiO.1990.vashishta with DATE: 2015-10-14
-
-neighbor	0.3 bin
-neigh_modify	delay 10
-
-fix		1 all nve
-thermo		10
-timestep	0.001
-
-#dump		1 all cfg 10 *.cfg mass type xs ys zs vx vy vz fx fy fz
-#dump_modify	1 element Si O
-
-run		100
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10.3
-  ghost atom cutoff = 10.3
-  binsize = 5.15 -> bins = 6 4 5
-Memory usage per processor = 2.54081 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0         2000    -5280.875            0   -5132.2259   -20502.321 
-      10    895.65237    -5198.402            0    -5131.833    419.34676 
-      20    932.93463   -5201.1569            0   -5131.8169   -21407.961 
-      30    936.09591   -5201.3998            0   -5131.8248   -32531.168 
-      40    930.05159   -5201.0073            0   -5131.8816   -46445.212 
-      50    904.64676    -5199.062            0   -5131.8245   -31402.385 
-      60    1005.5353   -5206.5725            0   -5131.8365   -29790.442 
-      70    941.02343   -5201.7644            0   -5131.8232   -23046.796 
-      80    1020.1044   -5207.6763            0   -5131.8574   -13488.675 
-      90    912.75535    -5199.651            0   -5131.8108    2715.5897 
-     100    998.97588   -5206.1008            0   -5131.8523    6024.3651 
-Loop time of 2.13995 on 1 procs for 100 steps with 576 atoms
-
-Performance: 4.037 ns/day, 5.944 hours/ns, 46.730 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.0601     | 2.0601     | 2.0601     |   0.0 | 96.27
-Neigh   | 0.074257   | 0.074257   | 0.074257   |   0.0 |  3.47
-Comm    | 0.0039079  | 0.0039079  | 0.0039079  |   0.0 |  0.18
-Output  | 0.00010729 | 0.00010729 | 0.00010729 |   0.0 |  0.01
-Modify  | 0.00091672 | 0.00091672 | 0.00091672 |   0.0 |  0.04
-Other   |            | 0.0006473  |            |       |  0.03
-
-Nlocal:    576 ave 576 max 576 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    4926 ave 4926 max 4926 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  210470 ave 210470 max 210470 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 210470
-Ave neighs/atom = 365.399
-Neighbor list builds = 10
-Dangerous builds = 10
-
-Total wall time: 0:00:02
diff --git a/examples/voronoi/log.5Oct16.voronoi.2d.g++.1 b/examples/voronoi/log.27Nov18.voronoi.2d.g++.1
similarity index 81%
rename from examples/voronoi/log.5Oct16.voronoi.2d.g++.1
rename to examples/voronoi/log.27Nov18.voronoi.2d.g++.1
index 4366a725ca..a591db8b4f 100644
--- a/examples/voronoi/log.5Oct16.voronoi.2d.g++.1
+++ b/examples/voronoi/log.27Nov18.voronoi.2d.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Test volume definitions for 2d and finite systems
 
 variable        rcut equal 10.0
@@ -29,6 +30,7 @@ Created orthogonal box = (0 0 0) to (4 6.9282 10)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region atoms
 Created 32 atoms
+  Time spent = 0.000315905 secs
 
 mass 		1 1.0
 
@@ -55,19 +57,24 @@ thermo 		1
 #
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 20
-Memory usage per processor = 2.37519 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/nsq/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 3.007 | 3.007 | 3.007 Mbytes
 c_volvor v_volsys Volume v_err 
    277.12813    277.12813    27.712813 5.6843419e-14 
 Loop time of 9.53674e-07 on 1 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -98,13 +105,13 @@ Dangerous builds = 0
 
 change_box 	all boundary f f p
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 7.05652 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.688 | 7.688 | 7.688 Mbytes
 c_volvor v_volsys Volume v_err 
    277.12813    277.12813    27.712813 3.4106051e-13 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 32 atoms
+Loop time of 4.76837e-07 on 1 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -114,7 +121,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 4.768e-07  |            |       |100.00
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/voronoi/log.5Oct16.voronoi.2d.g++.4 b/examples/voronoi/log.27Nov18.voronoi.2d.g++.4
similarity index 79%
rename from examples/voronoi/log.5Oct16.voronoi.2d.g++.4
rename to examples/voronoi/log.27Nov18.voronoi.2d.g++.4
index bdf134225c..841f8dcb81 100644
--- a/examples/voronoi/log.5Oct16.voronoi.2d.g++.4
+++ b/examples/voronoi/log.27Nov18.voronoi.2d.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Test volume definitions for 2d and finite systems
 
 variable        rcut equal 10.0
@@ -29,6 +30,7 @@ Created orthogonal box = (0 0 0) to (4 6.9282 10)
   2 by 2 by 1 MPI processor grid
 create_atoms    1 region atoms
 Created 32 atoms
+  Time spent = 0.000319481 secs
 
 mass 		1 1.0
 
@@ -55,19 +57,24 @@ thermo 		1
 #
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 12
   ghost atom cutoff = 20
-Memory usage per processor = 2.41069 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/nsq/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 3.042 | 3.042 | 3.042 Mbytes
 c_volvor v_volsys Volume v_err 
    277.12813    277.12813    27.712813 5.1159077e-13 
-Loop time of 4.05312e-06 on 4 procs for 0 steps with 32 atoms
+Loop time of 2.79546e-05 on 4 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+51.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -77,7 +84,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 4.053e-06  |            |       |100.00
+Other   |            | 2.795e-05  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -98,13 +105,13 @@ Dangerous builds = 0
 
 change_box 	all boundary f f p
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 7.04625 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.678 | 7.678 | 7.678 Mbytes
 c_volvor v_volsys Volume v_err 
    277.12813    277.12813    27.712813 3.4106051e-13 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 32 atoms
+Loop time of 1.88947e-05 on 4 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+47.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -114,7 +121,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 1.889e-05  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/voronoi/log.5Oct16.voronoi.data.g++.1 b/examples/voronoi/log.27Nov18.voronoi.data.g++.1
similarity index 82%
rename from examples/voronoi/log.5Oct16.voronoi.data.g++.1
rename to examples/voronoi/log.27Nov18.voronoi.data.g++.1
index c3d5e2cc82..04bc629d87 100644
--- a/examples/voronoi/log.5Oct16.voronoi.data.g++.1
+++ b/examples/voronoi/log.27Nov18.voronoi.data.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Exercise different output data options
 
 variable        len equal 4.0
@@ -25,6 +26,7 @@ Created orthogonal box = (0 0 0) to (4 6.9282 10)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 region atoms
 Created 32 atoms
+  Time spent = 0.000315666 secs
 
 mass 		1 1.0
 
@@ -63,19 +65,24 @@ thermo_style 	custom c_volvor v_volsys vol v_err c_v1[3] c_v1[4] c_v1[5] c_v1[6]
 thermo 		1
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 3.5
   ghost atom cutoff = 3.5
-Memory usage per processor = 9.40674 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/nsq/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 10.04 | 10.04 | 10.04 Mbytes
 c_volvor v_volsys Volume v_err c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
    277.12813    277.12813    27.712813 3.9790393e-13            0          186           12           36            0 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 32 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+0.0% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -85,7 +92,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -128,13 +135,13 @@ thermo_style 	custom c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7]
 thermo 		1
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.15503 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.787 | 8.787 | 8.787 Mbytes
 c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7] 
    1215.0706            0          186           12           36            0 
-Loop time of 1.19209e-06 on 1 procs for 0 steps with 32 atoms
+Loop time of 7.15256e-07 on 1 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+139.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -144,7 +151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.192e-06  |            |       |100.00
+Other   |            | 7.153e-07  |            |       |100.00
 
 Nlocal:    32 ave 32 max 32 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/voronoi/log.5Oct16.voronoi.data.g++.4 b/examples/voronoi/log.27Nov18.voronoi.data.g++.4
similarity index 82%
rename from examples/voronoi/log.5Oct16.voronoi.data.g++.4
rename to examples/voronoi/log.27Nov18.voronoi.data.g++.4
index 097ba91347..be028e4d2f 100644
--- a/examples/voronoi/log.5Oct16.voronoi.data.g++.4
+++ b/examples/voronoi/log.27Nov18.voronoi.data.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Exercise different output data options
 
 variable        len equal 4.0
@@ -25,6 +26,7 @@ Created orthogonal box = (0 0 0) to (4 6.9282 10)
   2 by 2 by 1 MPI processor grid
 create_atoms    1 region atoms
 Created 32 atoms
+  Time spent = 0.000311136 secs
 
 mass 		1 1.0
 
@@ -63,19 +65,24 @@ thermo_style 	custom c_volvor v_volsys vol v_err c_v1[3] c_v1[4] c_v1[5] c_v1[6]
 thermo 		1
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 3.5
   ghost atom cutoff = 3.5
-Memory usage per processor = 9.29039 Mbytes
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/nsq/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.922 | 9.922 | 9.922 Mbytes
 c_volvor v_volsys Volume v_err c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
    277.12813    277.12813    27.712813 3.4106051e-13            0          186           12           36            0 
-Loop time of 5.00679e-06 on 4 procs for 0 steps with 32 atoms
+Loop time of 1.40667e-05 on 4 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+46.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -85,7 +92,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 5.007e-06  |            |       |100.00
+Other   |            | 1.407e-05  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -128,13 +135,13 @@ thermo_style 	custom c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7]
 thermo 		1
 
 run  		0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.03996 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.671 | 8.671 | 8.671 Mbytes
 c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7] 
    1215.0706            0          186           12           36            0 
-Loop time of 1.90735e-06 on 4 procs for 0 steps with 32 atoms
+Loop time of 2.71797e-05 on 4 procs for 0 steps with 32 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+57.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -144,7 +151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-06  |            |       |100.00
+Other   |            | 2.718e-05  |            |       |100.00
 
 Nlocal:    8 ave 8 max 8 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/voronoi/log.5Oct16.voronoi.g++.1 b/examples/voronoi/log.27Nov18.voronoi.g++.1
similarity index 78%
rename from examples/voronoi/log.5Oct16.voronoi.g++.1
rename to examples/voronoi/log.27Nov18.voronoi.g++.1
index b76e99038e..c1d56b0eb7 100644
--- a/examples/voronoi/log.5Oct16.voronoi.g++.1
+++ b/examples/voronoi/log.27Nov18.voronoi.g++.1
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Test of Kawasaki Dynamics on LJ test system
 
 units		metal
@@ -19,6 +20,7 @@ Created orthogonal box = (0 0 0) to (10 10 10)
   1 by 1 by 1 MPI processor grid
 create_atoms    1 box basis 1 2
 Created 4000 atoms
+  Time spent = 0.00091362 secs
 
 mass 1 50
 mass 2 50
@@ -60,20 +62,25 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t1 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.3
   ghost atom cutoff = 5
-  binsize = 1.15 -> bins = 9 9 9
-Memory usage per processor = 8.74398 Mbytes
+  binsize = 1.15, bins = 9 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.02 | 11.02 | 11.02 Mbytes
 c_r0 
         1000 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.43051e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+209.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -83,7 +90,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -114,13 +121,13 @@ thermo_style custom c_r0 c_r1
 variable t2a equal c_r0
 variable t2b equal c_r1
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.74398 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 11.02 | 11.02 | 11.02 Mbytes
 c_r0 c_r1 
         1000            0 
-Loop time of 0 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+167.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -130,7 +137,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 1.192e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -162,13 +169,13 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t3 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.74398 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 11.02 | 11.02 | 11.02 Mbytes
 c_r0 
         1000 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.43051e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+279.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -178,7 +185,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.431e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -204,25 +211,25 @@ undump    d1
 compute v1 type2 voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.53036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.81 | 8.81 | 8.81 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        12000            0            0            0 
            0            0            0        12000            0            0            0 
-Loop time of 0.454686 on 1 procs for 1 steps with 4000 atoms
+Loop time of 0.314834 on 1 procs for 1 steps with 4000 atoms
 
-Performance: 0.190 ns/day, 126.302 hours/ns, 2.199 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.274 ns/day, 87.454 hours/ns, 3.176 timesteps/s
+98.2% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0058758  | 0.0058758  | 0.0058758  |   0.0 |  1.29
+Pair    | 0.0057888  | 0.0057888  | 0.0057888  |   0.0 |  1.84
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0001812  | 0.0001812  | 0.0001812  |   0.0 |  0.04
-Output  | 0.44856    | 0.44856    | 0.44856    |   0.0 | 98.65
-Modify  | 1.9073e-06 | 1.9073e-06 | 1.9073e-06 |   0.0 |  0.00
-Other   |            | 6.723e-05  |            |       |  0.01
+Comm    | 0.00023079 | 0.00023079 | 0.00023079 |   0.0 |  0.07
+Output  | 0.30878    | 0.30878    | 0.30878    |   0.0 | 98.08
+Modify  | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 |   0.0 |  0.00
+Other   |            | 3.266e-05  |            |       |  0.01
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -242,25 +249,25 @@ uncompute v1
 compute v1 all voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.53036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.81 | 8.81 | 8.81 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        48000            0            0            0 
            0            0            0        48000            0            0            0 
-Loop time of 0.474271 on 1 procs for 1 steps with 4000 atoms
+Loop time of 0.325299 on 1 procs for 1 steps with 4000 atoms
 
-Performance: 0.182 ns/day, 131.742 hours/ns, 2.108 timesteps/s
-100.1% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.266 ns/day, 90.361 hours/ns, 3.074 timesteps/s
+98.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.005832   | 0.005832   | 0.005832   |   0.0 |  1.23
+Pair    | 0.0057862  | 0.0057862  | 0.0057862  |   0.0 |  1.78
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00016904 | 0.00016904 | 0.00016904 |   0.0 |  0.04
-Output  | 0.46822    | 0.46822    | 0.46822    |   0.0 | 98.72
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 5.007e-05  |            |       |  0.01
+Comm    | 0.00022984 | 0.00022984 | 0.00022984 |   0.0 |  0.07
+Output  | 0.31925    | 0.31925    | 0.31925    |   0.0 | 98.14
+Modify  | 7.1526e-07 | 7.1526e-07 | 7.1526e-07 |   0.0 |  0.00
+Other   |            | 3.242e-05  |            |       |  0.01
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -283,25 +290,25 @@ displace_atoms all random 0.01 0.01 0.01 31423
 compute v1 all voronoi/atom edge_histo 8 edge_threshold 0.1
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.53036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.81 | 8.81 | 8.81 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        48000            0            0            0 
            0            0            0        48000            0            0            0 
-Loop time of 0.465207 on 1 procs for 1 steps with 4000 atoms
+Loop time of 0.340279 on 1 procs for 1 steps with 4000 atoms
 
-Performance: 0.186 ns/day, 129.224 hours/ns, 2.150 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.254 ns/day, 94.522 hours/ns, 2.939 timesteps/s
+98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.006129   | 0.006129   | 0.006129   |   0.0 |  1.32
+Pair    | 0.0062513  | 0.0062513  | 0.0062513  |   0.0 |  1.84
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00016928 | 0.00016928 | 0.00016928 |   0.0 |  0.04
-Output  | 0.45886    | 0.45886    | 0.45886    |   0.0 | 98.64
-Modify  | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 |   0.0 |  0.00
-Other   |            | 4.482e-05  |            |       |  0.01
+Comm    | 0.00023031 | 0.00023031 | 0.00023031 |   0.0 |  0.07
+Output  | 0.33376    | 0.33376    | 0.33376    |   0.0 | 98.09
+Modify  | 7.1526e-07 | 7.1526e-07 | 7.1526e-07 |   0.0 |  0.00
+Other   |            | 3.171e-05  |            |       |  0.01
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -326,28 +333,29 @@ lattice         bcc 1 origin 0.25 0.25 0.25
 Lattice spacing in x,y,z = 1 1 1
 create_atoms    1 box
 Created 2000 atoms
+  Time spent = 0.000280142 secs
 compute v1 all voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.53036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.81 | 8.81 | 8.81 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        12000            0        16000            0 
            0            0            0        12000            0        16000            0 
-Loop time of 0.196673 on 1 procs for 1 steps with 2000 atoms
+Loop time of 0.140848 on 1 procs for 1 steps with 2000 atoms
 
-Performance: 0.439 ns/day, 54.631 hours/ns, 5.085 timesteps/s
-100.2% CPU use with 1 MPI tasks x no OpenMP threads
+Performance: 0.613 ns/day, 39.125 hours/ns, 7.100 timesteps/s
+98.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0014789  | 0.0014789  | 0.0014789  |   0.0 |  0.75
+Pair    | 0.0014246  | 0.0014246  | 0.0014246  |   0.0 |  1.01
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 8.1062e-05 | 8.1062e-05 | 8.1062e-05 |   0.0 |  0.04
-Output  | 0.19509    | 0.19509    | 0.19509    |   0.0 | 99.20
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.907e-05  |            |       |  0.01
+Comm    | 0.00011492 | 0.00011492 | 0.00011492 |   0.0 |  0.08
+Output  | 0.13929    | 0.13929    | 0.13929    |   0.0 | 98.89
+Modify  | 4.7684e-07 | 4.7684e-07 | 4.7684e-07 |   0.0 |  0.00
+Other   |            | 1.884e-05  |            |       |  0.01
 
 Nlocal:    2000 ave 2000 max 2000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -372,6 +380,7 @@ lattice         fcc 1 origin 0.25 0.25 0.25
 Lattice spacing in x,y,z = 1 1 1
 create_atoms    1 box basis 1 2
 Created 4000 atoms
+  Time spent = 0.00044775 secs
 
 #
 # TEST 5: Occupation analysis
@@ -397,13 +406,13 @@ variable d5d equal c_v1[257][2]
 thermo_style custom c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.53036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 8.81 | 8.81 | 8.81 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4000            1            1            1            1 
-Loop time of 0 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+251.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -413,7 +422,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 0          |            |       |  0.00
+Other   |            | 1.192e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -464,13 +473,13 @@ set atom 13 x 4.4500000000000001776 y 6.4500000000000001776 z 0.4500000000000000
   1 settings made for z
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 7.03036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.31 | 9.31 | 9.31 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4002            0            2            2            2 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+251.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -480,7 +489,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.192e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -511,13 +520,13 @@ set atom 13 x 3.25 y 0.25 z 0.25
   1 settings made for z
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 7.03036 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.31 | 9.31 | 9.31 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4000            1            1            1            1 
 Loop time of 9.53674e-07 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+314.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -570,20 +579,25 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t6 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.3
   ghost atom cutoff = 5
-  binsize = 1.15 -> bins = 14 9 9
-Memory usage per processor = 12.5794 Mbytes
+  binsize = 1.15, bins = 14 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 15.06 | 15.06 | 15.06 Mbytes
 c_r0 
         1000 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 4000 atoms
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+251.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -593,7 +607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.192e-06  |            |       |100.00
 
 Nlocal:    4000 ave 4000 max 4000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -616,4 +630,4 @@ undump    d1
 
 print TEST_DONE
 TEST_DONE
-Total wall time: 0:00:06
+Total wall time: 0:00:04
diff --git a/examples/voronoi/log.5Oct16.voronoi.g++.4 b/examples/voronoi/log.27Nov18.voronoi.g++.4
similarity index 77%
rename from examples/voronoi/log.5Oct16.voronoi.g++.4
rename to examples/voronoi/log.27Nov18.voronoi.g++.4
index ba5dfa48c0..37e861be70 100644
--- a/examples/voronoi/log.5Oct16.voronoi.g++.4
+++ b/examples/voronoi/log.27Nov18.voronoi.g++.4
@@ -1,4 +1,5 @@
-LAMMPS (5 Oct 2016)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 # Test of Kawasaki Dynamics on LJ test system
 
 units		metal
@@ -19,6 +20,7 @@ Created orthogonal box = (0 0 0) to (10 10 10)
   1 by 2 by 2 MPI processor grid
 create_atoms    1 box basis 1 2
 Created 4000 atoms
+  Time spent = 0.000644922 secs
 
 mass 1 50
 mass 2 50
@@ -60,20 +62,25 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t1 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.3
   ghost atom cutoff = 5
-  binsize = 1.15 -> bins = 9 9 9
-Memory usage per processor = 8.20003 Mbytes
+  binsize = 1.15, bins = 9 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.228 | 9.228 | 9.228 Mbytes
 c_r0 
         1000 
-Loop time of 1.29938e-05 on 4 procs for 0 steps with 4000 atoms
+Loop time of 2.08616e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+167.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -83,7 +90,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.299e-05  |            |       |100.00
+Other   |            | 2.086e-06  |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -114,13 +121,13 @@ thermo_style custom c_r0 c_r1
 variable t2a equal c_r0
 variable t2b equal c_r1
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.20003 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.228 | 9.228 | 9.228 Mbytes
 c_r0 c_r1 
         1000            0 
-Loop time of 1.66893e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 4.52995e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+132.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -130,7 +137,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.669e-06  |            |       |100.00
+Other   |            | 4.53e-06   |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -162,13 +169,13 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t3 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 8.20003 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 9.228 | 9.228 | 9.228 Mbytes
 c_r0 
         1000 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+162.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -178,7 +185,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -204,25 +211,25 @@ undump    d1
 compute v1 type2 voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.14663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.175 | 7.175 | 7.175 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        12000            0            0            0 
            0            0            0        12000            0            0            0 
-Loop time of 0.277843 on 4 procs for 1 steps with 4000 atoms
+Loop time of 0.181586 on 4 procs for 1 steps with 4000 atoms
 
-Performance: 0.311 ns/day, 77.179 hours/ns, 3.599 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.476 ns/day, 50.441 hours/ns, 5.507 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0014799  | 0.0015165  | 0.001543   |   0.1 |  0.55
+Pair    | 0.0015094  | 0.0015393  | 0.0016015  |   0.1 |  0.85
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00051594 | 0.00054592 | 0.00059509 |   0.1 |  0.20
-Output  | 0.27569    | 0.27571    | 0.27571    |   0.0 | 99.23
-Modify  | 0          | 4.7684e-07 | 9.5367e-07 |   0.1 |  0.00
-Other   |            | 7.474e-05  |            |       |  0.03
+Comm    | 0.00039601 | 0.00046033 | 0.00049233 |   0.0 |  0.25
+Output  | 0.17947    | 0.1795     | 0.17956    |   0.0 | 98.85
+Modify  | 4.7684e-07 | 7.1526e-07 | 9.5367e-07 |   0.0 |  0.00
+Other   |            | 9e-05      |            |       |  0.05
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -242,25 +249,25 @@ uncompute v1
 compute v1 all voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.14663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.175 | 7.175 | 7.175 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        48000            0            0            0 
            0            0            0        48000            0            0            0 
-Loop time of 0.275933 on 4 procs for 1 steps with 4000 atoms
+Loop time of 0.184754 on 4 procs for 1 steps with 4000 atoms
 
-Performance: 0.313 ns/day, 76.648 hours/ns, 3.624 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.468 ns/day, 51.321 hours/ns, 5.413 timesteps/s
+96.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.001452   | 0.0014912  | 0.0015581  |   0.1 |  0.54
+Pair    | 0.0015123  | 0.0015253  | 0.0015385  |   0.0 |  0.83
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00044107 | 0.00050235 | 0.00053501 |   0.2 |  0.18
-Output  | 0.27389    | 0.2739     | 0.27391    |   0.0 | 99.26
-Modify  | 0          | 4.7684e-07 | 9.5367e-07 |   0.1 |  0.00
-Other   |            | 3.755e-05  |            |       |  0.01
+Comm    | 0.00038028 | 0.00039649 | 0.00040984 |   0.0 |  0.21
+Output  | 0.18271    | 0.18273    | 0.1828     |   0.0 | 98.91
+Modify  | 7.1526e-07 | 8.9407e-07 | 9.5367e-07 |   0.0 |  0.00
+Other   |            | 0.0001001  |            |       |  0.05
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -283,25 +290,25 @@ displace_atoms all random 0.01 0.01 0.01 31423
 compute v1 all voronoi/atom edge_histo 8 edge_threshold 0.1
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.14663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.175 | 7.175 | 7.175 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        48000            0            0            0 
            0            0            0        48000            0            0            0 
-Loop time of 0.274319 on 4 procs for 1 steps with 4000 atoms
+Loop time of 0.191424 on 4 procs for 1 steps with 4000 atoms
 
-Performance: 0.315 ns/day, 76.200 hours/ns, 3.645 timesteps/s
-99.6% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.451 ns/day, 53.173 hours/ns, 5.224 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.001529   | 0.0015675  | 0.0016341  |   0.1 |  0.57
+Pair    | 0.0016205  | 0.0016853  | 0.0018284  |   0.2 |  0.88
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.00042391 | 0.00048423 | 0.00051594 |   0.2 |  0.18
-Output  | 0.27222    | 0.27223    | 0.27224    |   0.0 | 99.24
-Modify  | 0          | 4.7684e-07 | 9.5367e-07 |   0.1 |  0.00
-Other   |            | 3.517e-05  |            |       |  0.01
+Comm    | 0.00041676 | 0.00055587 | 0.00062323 |   0.0 |  0.29
+Output  | 0.18905    | 0.18907    | 0.18915    |   0.0 | 98.77
+Modify  | 1.1921e-06 | 1.2517e-06 | 1.4305e-06 |   0.0 |  0.00
+Other   |            | 0.0001094  |            |       |  0.06
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -326,28 +333,29 @@ lattice         bcc 1 origin 0.25 0.25 0.25
 Lattice spacing in x,y,z = 1 1 1
 create_atoms    1 box
 Created 2000 atoms
+  Time spent = 0.000178576 secs
 compute v1 all voronoi/atom edge_histo 8
 thermo_style custom c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7]
 run  1
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.14663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.175 | 7.175 | 7.175 Mbytes
 c_v1[1] c_v1[2] c_v1[3] c_v1[4] c_v1[5] c_v1[6] c_v1[7] 
            0            0            0        12000            0        16000            0 
            0            0            0        12000            0        16000            0 
-Loop time of 0.119681 on 4 procs for 1 steps with 2000 atoms
+Loop time of 0.0871635 on 4 procs for 1 steps with 2000 atoms
 
-Performance: 0.722 ns/day, 33.245 hours/ns, 8.356 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
+Performance: 0.991 ns/day, 24.212 hours/ns, 11.473 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00036597 | 0.00036877 | 0.00037217 |   0.0 |  0.31
+Pair    | 0.00038028 | 0.00038761 | 0.00040364 |   0.0 |  0.44
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.0002737  | 0.00027668 | 0.00027895 |   0.0 |  0.23
-Output  | 0.11901    | 0.11902    | 0.11902    |   0.0 | 99.45
-Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 1.681e-05  |            |       |  0.01
+Comm    | 0.00020146 | 0.00021631 | 0.00022292 |   0.0 |  0.25
+Output  | 0.086468   | 0.086487   | 0.086541   |   0.0 | 99.22
+Modify  | 4.7684e-07 | 7.1526e-07 | 9.5367e-07 |   0.0 |  0.00
+Other   |            | 7.224e-05  |            |       |  0.08
 
 Nlocal:    500 ave 500 max 500 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -372,6 +380,7 @@ lattice         fcc 1 origin 0.25 0.25 0.25
 Lattice spacing in x,y,z = 1 1 1
 create_atoms    1 box basis 1 2
 Created 4000 atoms
+  Time spent = 0.000248909 secs
 
 #
 # TEST 5: Occupation analysis
@@ -397,13 +406,13 @@ variable d5d equal c_v1[257][2]
 thermo_style custom c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.14663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.175 | 7.175 | 7.175 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4000            1            1            1            1 
-Loop time of 2.14577e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+189.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -413,7 +422,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.146e-06  |            |       |100.00
+Other   |            | 1.848e-06  |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -464,13 +473,13 @@ set atom 13 x 4.4500000000000001776 y 1.4499999999999999556 z 1.4499999999999999
   1 settings made for z
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.64663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.675 | 7.675 | 7.675 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4002            0            2            2            2 
-Loop time of 4.41074e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 1.72853e-06 on 4 procs for 0 steps with 4000 atoms
 
-5662.3% CPU use with 4 MPI tasks x no OpenMP threads
+188.0% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -480,7 +489,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 4.411e-06  |            |       |100.00
+Other   |            | 1.729e-06  |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -511,13 +520,13 @@ set atom 13 x 3.25 y 0.25 z 0.25
   1 settings made for z
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
-Memory usage per processor = 6.64663 Mbytes
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
+Per MPI rank memory allocation (min/avg/max) = 7.675 | 7.675 | 7.675 Mbytes
 c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d 
         4000         4000            1            1            1            1 
-Loop time of 2.38419e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 1.49012e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+218.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -527,7 +536,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.384e-06  |            |       |100.00
+Other   |            | 1.49e-06   |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -570,20 +579,25 @@ compute r0 all   reduce sum c_v1[1]
 thermo_style custom c_r0
 variable t6 equal c_r0
 run  0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
-  1 neighbor list requests
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2.3
   ghost atom cutoff = 5
-  binsize = 1.15 -> bins = 14 9 9
-Memory usage per processor = 8.20784 Mbytes
+  binsize = 1.15, bins = 14 9 9
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 9.493 | 9.493 | 9.493 Mbytes
 c_r0 
         1000 
-Loop time of 2.86102e-06 on 4 procs for 0 steps with 4000 atoms
+Loop time of 1.96695e-06 on 4 procs for 0 steps with 4000 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+165.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -593,7 +607,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.861e-06  |            |       |100.00
+Other   |            | 1.967e-06  |            |       |100.00
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -616,4 +630,4 @@ undump    d1
 
 print TEST_DONE
 TEST_DONE
-Total wall time: 0:00:03
+Total wall time: 0:00:02

From dd84b5c97596e15f1abf95a9ed2eacc6b0843a38 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 30 Nov 2018 07:50:57 -0500
Subject: [PATCH 237/273] make compute stress/mop and stress/mop/profile
 compatible with per-atom masses

---
 src/USER-MISC/compute_stress_mop.cpp         | 35 +++++++++-----
 src/USER-MISC/compute_stress_mop_profile.cpp | 50 +++++++++++++-------
 2 files changed, 58 insertions(+), 27 deletions(-)

diff --git a/src/USER-MISC/compute_stress_mop.cpp b/src/USER-MISC/compute_stress_mop.cpp
index e496fd4dfa..cb2a0b9713 100644
--- a/src/USER-MISC/compute_stress_mop.cpp
+++ b/src/USER-MISC/compute_stress_mop.cpp
@@ -70,7 +70,7 @@ ComputeStressMop::ComputeStressMop(LAMMPS *lmp, int narg, char **arg) :
   } else if (strcmp(arg[4],"center")==0) {
     pos = 0.5*(domain->boxlo[dir]+domain->boxhi[dir]);
   } else pos = force->numeric(FLERR,arg[4]);
-  
+
   if ( pos < (domain->boxlo[dir]+domain->prd_half[dir]) ) {
     pos1 = pos + domain->prd[dir];
   } else {
@@ -118,7 +118,7 @@ ComputeStressMop::ComputeStressMop(LAMMPS *lmp, int narg, char **arg) :
   if (pos >domain->boxhi[dir] || pos <domain->boxlo[dir])
     error->all(FLERR, "Plane for compute stress/mop is out of bounds");
 
-    
+
   // Initialize some variables
 
   values_local = values_global = vector = NULL;
@@ -168,13 +168,13 @@ void ComputeStressMop::init()
   // Timestep Value
 
   dt = update->dt;
-  
+
   // Error check
-   
+
   // Compute stress/mop requires fixed simulation box
   if (domain->box_change_size || domain->box_change_shape || domain->deform_flag)
     error->all(FLERR, "Compute stress/mop requires a fixed simulation box");
-    
+
   // This compute requires a pair style with pair_single method implemented
 
   if (force->pair == NULL)
@@ -252,6 +252,7 @@ void ComputeStressMop::compute_pairs()
   int *ilist,*jlist,*numneigh,**firstneigh;
 
   double *mass = atom->mass;
+  double *rmass = atom->rmass;
   int *type = atom->type;
   int *mask = atom->mask;
   int nlocal = atom->nlocal;
@@ -388,9 +389,15 @@ void ComputeStressMop::compute_pairs()
           fi[2] = atom->f[i][2];
 
           //coordinates at t-dt (based on Velocity-Verlet alg.)
-          xj[0] = xi[0]-vi[0]*dt+fi[0]/2/mass[itype]*dt*dt*ftm2v;
-          xj[1] = xi[1]-vi[1]*dt+fi[1]/2/mass[itype]*dt*dt*ftm2v;
-          xj[2] = xi[2]-vi[2]*dt+fi[2]/2/mass[itype]*dt*dt*ftm2v;
+          if (rmass) {
+            xj[0] = xi[0]-vi[0]*dt+fi[0]/2/rmass[i]*dt*dt*ftm2v;
+            xj[1] = xi[1]-vi[1]*dt+fi[1]/2/rmass[i]*dt*dt*ftm2v;
+            xj[2] = xi[2]-vi[2]*dt+fi[2]/2/rmass[i]*dt*dt*ftm2v;
+          } else {
+            xj[0] = xi[0]-vi[0]*dt+fi[0]/2/mass[itype]*dt*dt*ftm2v;
+            xj[1] = xi[1]-vi[1]*dt+fi[1]/2/mass[itype]*dt*dt*ftm2v;
+            xj[2] = xi[2]-vi[2]*dt+fi[2]/2/mass[itype]*dt*dt*ftm2v;
+          }
 
           // because LAMMPS does not put atoms back in the box
           // at each timestep, must check atoms going through the
@@ -406,9 +413,15 @@ void ComputeStressMop::compute_pairs()
 
             //approximate crossing velocity by v(t-dt/2) (based on Velocity-Verlet alg.)
             double vcross[3];
-            vcross[0] = vi[0]-fi[0]/mass[itype]/2*ftm2v*dt;
-            vcross[1] = vi[1]-fi[1]/mass[itype]/2*ftm2v*dt;
-            vcross[2] = vi[2]-fi[2]/mass[itype]/2*ftm2v*dt;
+            if (rmass) {
+              vcross[0] = vi[0]-fi[0]/rmass[i]/2*ftm2v*dt;
+              vcross[1] = vi[1]-fi[1]/rmass[i]/2*ftm2v*dt;
+              vcross[2] = vi[2]-fi[2]/rmass[i]/2*ftm2v*dt;
+            } else {
+              vcross[0] = vi[0]-fi[0]/mass[itype]/2*ftm2v*dt;
+              vcross[1] = vi[1]-fi[1]/mass[itype]/2*ftm2v*dt;
+              vcross[2] = vi[2]-fi[2]/mass[itype]/2*ftm2v*dt;
+            }
 
             values_local[m] += mass[itype]*vcross[0]*sgn/dt/area*nktv2p/ftm2v;
             values_local[m+1] += mass[itype]*vcross[1]*sgn/dt/area*nktv2p/ftm2v;
diff --git a/src/USER-MISC/compute_stress_mop_profile.cpp b/src/USER-MISC/compute_stress_mop_profile.cpp
index 76bf487630..5499a37a46 100644
--- a/src/USER-MISC/compute_stress_mop_profile.cpp
+++ b/src/USER-MISC/compute_stress_mop_profile.cpp
@@ -168,20 +168,20 @@ void ComputeStressMopProfile::init()
   // timestep Value
 
   dt = update->dt;
-  
+
   // Error check
   // Compute stress/mop/profile requires fixed simulation box
-  
+
   if (domain->box_change_size || domain->box_change_shape || domain->deform_flag)
     error->all(FLERR, "Compute stress/mop/profile requires a fixed simulation box");
-        
+
   //This compute requires a pair style with pair_single method implemented
 
   if (force->pair == NULL)
     error->all(FLERR,"No pair style is defined for compute stress/mop/profile");
   if (force->pair->single_enable == 0)
     error->all(FLERR,"Pair style does not support compute stress/mop/profile");
-    
+
   // Warnings
 
   if (me==0){
@@ -232,7 +232,7 @@ void ComputeStressMopProfile::compute_array()
   MPI_Allreduce(&values_local[0][0],&values_global[0][0],nbins*nvalues,
                 MPI_DOUBLE,MPI_SUM,world);
 
-  int ibin,m,mo; 
+  int ibin,m,mo;
   for (ibin=0; ibin<nbins; ibin++) {
     array[ibin][0] = coord[ibin][0];
     mo=1;
@@ -257,9 +257,10 @@ void ComputeStressMopProfile::compute_pairs()
   double delx,dely,delz;
   double rsq,fpair,factor_coul,factor_lj;
   int *ilist,*jlist,*numneigh,**firstneigh;
-  double pos,pos1;    
+  double pos,pos1;
 
   double *mass = atom->mass;
+  double *rmass = atom->rmass;
   int *type = atom->type;
   int *mask = atom->mask;
   int nlocal = atom->nlocal;
@@ -411,9 +412,15 @@ void ComputeStressMopProfile::compute_pairs()
           fi[2] = atom->f[i][2];
 
           //coordinates at t-dt (based on Velocity-Verlet alg.)
-          xj[0] = xi[0]-vi[0]*dt+fi[0]/2/mass[itype]*dt*dt*ftm2v;
-          xj[1] = xi[1]-vi[1]*dt+fi[1]/2/mass[itype]*dt*dt*ftm2v;
-          xj[2] = xi[2]-vi[2]*dt+fi[2]/2/mass[itype]*dt*dt*ftm2v;
+          if (rmass) {
+            xj[0] = xi[0]-vi[0]*dt+fi[0]/2/rmass[i]*dt*dt*ftm2v;
+            xj[1] = xi[1]-vi[1]*dt+fi[1]/2/rmass[i]*dt*dt*ftm2v;
+            xj[2] = xi[2]-vi[2]*dt+fi[2]/2/rmass[i]*dt*dt*ftm2v;
+          } else {
+            xj[0] = xi[0]-vi[0]*dt+fi[0]/2/mass[itype]*dt*dt*ftm2v;
+            xj[1] = xi[1]-vi[1]*dt+fi[1]/2/mass[itype]*dt*dt*ftm2v;
+            xj[2] = xi[2]-vi[2]*dt+fi[2]/2/mass[itype]*dt*dt*ftm2v;
+          }
 
           for (ibin=0;ibin<nbins;ibin++) {
             pos = coord[ibin][0];
@@ -424,14 +431,25 @@ void ComputeStressMopProfile::compute_pairs()
               sgn = copysign(1.0,vi[dir]);
 
               //approximate crossing velocity by v(t-dt/2) (based on Velocity-Verlet alg.)
-              double vcross[3];
-              vcross[0] = vi[0]-fi[0]/mass[itype]/2*ftm2v*dt;
-              vcross[1] = vi[1]-fi[1]/mass[itype]/2*ftm2v*dt;
-              vcross[2] = vi[2]-fi[2]/mass[itype]/2*ftm2v*dt;
+              if (rmass) {
+                double vcross[3];
+                vcross[0] = vi[0]-fi[0]/rmass[i]/2*ftm2v*dt;
+                vcross[1] = vi[1]-fi[1]/rmass[i]/2*ftm2v*dt;
+                vcross[2] = vi[2]-fi[2]/rmass[i]/2*ftm2v*dt;
 
-              values_local[ibin][m] += mass[itype]*vcross[0]*sgn/dt/area*nktv2p/ftm2v;
-              values_local[ibin][m+1] += mass[itype]*vcross[1]*sgn/dt/area*nktv2p/ftm2v;
-              values_local[ibin][m+2] += mass[itype]*vcross[2]*sgn/dt/area*nktv2p/ftm2v;
+                values_local[ibin][m] += rmass[i]*vcross[0]*sgn/dt/area*nktv2p/ftm2v;
+                values_local[ibin][m+1] += rmass[i]*vcross[1]*sgn/dt/area*nktv2p/ftm2v;
+                values_local[ibin][m+2] += rmass[i]*vcross[2]*sgn/dt/area*nktv2p/ftm2v;
+              } else {
+                double vcross[3];
+                vcross[0] = vi[0]-fi[0]/mass[itype]/2*ftm2v*dt;
+                vcross[1] = vi[1]-fi[1]/mass[itype]/2*ftm2v*dt;
+                vcross[2] = vi[2]-fi[2]/mass[itype]/2*ftm2v*dt;
+
+                values_local[ibin][m] += mass[itype]*vcross[0]*sgn/dt/area*nktv2p/ftm2v;
+                values_local[ibin][m+1] += mass[itype]*vcross[1]*sgn/dt/area*nktv2p/ftm2v;
+                values_local[ibin][m+2] += mass[itype]*vcross[2]*sgn/dt/area*nktv2p/ftm2v;
+              }
             }
           }
         }

From 7b68655c4d16830ea7c96a5ffadbc2b6b1c98ca3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 30 Nov 2018 08:00:08 -0500
Subject: [PATCH 238/273] remove trailing whitespace

---
 src/compute_adf.h          | 2 +-
 src/compute_reduce_chunk.h | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/compute_adf.h b/src/compute_adf.h
index 4c9e13707b..a7983b7173 100644
--- a/src/compute_adf.h
+++ b/src/compute_adf.h
@@ -45,7 +45,7 @@ class ComputeADF : public Compute {
   double *rcutouterj, *rcutouterk; // list of outer cutoffs
 
   class NeighList *list;   // full neighbor list
- 
+
   int *iatomcount;               // local number of central atoms
   int *iatomcountall;            // total number of central atoms
   int **iatomflag;               // 1 if type is central atom in ADF
diff --git a/src/compute_reduce_chunk.h b/src/compute_reduce_chunk.h
index ac556907b7..525bb0c7a7 100644
--- a/src/compute_reduce_chunk.h
+++ b/src/compute_reduce_chunk.h
@@ -52,7 +52,7 @@ class ComputeReduceChunk : public Compute {
   double *vlocal,*vglobal;
   double **alocal,**aglobal;
   double *varatom;
-  
+
   class ComputeChunkAtom *cchunk;
   int *ichunk;
 

From c69fc905884b86286a83d3db5a6cb2f0c1628fa2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 1 Dec 2018 02:48:22 -0500
Subject: [PATCH 239/273] detect more incompatible setups for fix tune/kspace,
 and document

---
 doc/src/fix_tune_kspace.txt    | 3 +++
 src/KSPACE/fix_tune_kspace.cpp | 8 ++++++++
 2 files changed, 11 insertions(+)

diff --git a/doc/src/fix_tune_kspace.txt b/doc/src/fix_tune_kspace.txt
index c398bf9157..f5173b4cae 100644
--- a/doc/src/fix_tune_kspace.txt
+++ b/doc/src/fix_tune_kspace.txt
@@ -86,6 +86,9 @@ package"_Build_package.html doc page for more info.
 Do not set "neigh_modify once yes" or else this fix will never be
 called.  Reneighboring is required.
 
+This fix is not compatible with a hybrid pair style, long-range dispersion,
+TIP4P water support, or long-range point dipole support.
+
 [Related commands:]
 
 "kspace_style"_kspace_style.html, "boundary"_boundary.html
diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp
index a3ac5e1e83..3e90988cba 100644
--- a/src/KSPACE/fix_tune_kspace.cpp
+++ b/src/KSPACE/fix_tune_kspace.cpp
@@ -89,6 +89,14 @@ void FixTuneKspace::init()
     error->all(FLERR,"Cannot use fix tune/kspace without a kspace style");
   if (!force->pair)
     error->all(FLERR,"Cannot use fix tune/kspace without a pair style");
+  if (strncmp(force->pair_style,"hybrid",6) == 0)
+    error->all(FLERR,"Cannot use fix tune/kspace with a hybrid pair style");
+  if (force->kspace->dispersionflag)
+    error->all(FLERR,"Cannot use fix tune/kspace with long-range dispersion");
+  if (force->kspace->tip4pflag)
+    error->all(FLERR,"Cannot use fix tune/kspace with TIP4P water");
+  if (force->kspace->dipoleflag)
+    error->all(FLERR,"Cannot use fix tune/kspace with dipole long-range solver");
 
   double old_acc = force->kspace->accuracy/force->kspace->two_charge_force;
   char old_acc_str[12];

From 4ec05a33896235198240af047c0fdca5c7c0c329 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 1 Dec 2018 08:14:02 -0500
Subject: [PATCH 240/273] remove some more trailing whitespace

---
 src/angle_deprecated.cpp          |  2 +-
 src/bond_deprecated.cpp           |  2 +-
 src/compute_adf.cpp               | 44 +++++++++++++++----------------
 src/compute_angle_local.cpp       |  8 +++---
 src/compute_bond_local.cpp        |  8 +++---
 src/compute_chunk_spread_atom.cpp |  2 +-
 src/compute_dihedral_local.cpp    | 14 +++++-----
 src/compute_displace_atom.cpp     |  4 +--
 src/compute_rdf.cpp               |  2 +-
 src/compute_reduce_chunk.cpp      | 34 ++++++++++++------------
 src/create_atoms.cpp              |  6 ++---
 src/delete_atoms.cpp              |  2 +-
 src/dihedral_deprecated.cpp       |  2 +-
 src/fix_group.cpp                 |  2 +-
 src/fix_restrain.cpp              |  4 +--
 src/improper_deprecated.cpp       |  2 +-
 src/library.cpp                   |  8 +++---
 src/pair_deprecated.cpp           |  2 +-
 src/write_data.cpp                |  2 +-
 19 files changed, 75 insertions(+), 75 deletions(-)

diff --git a/src/angle_deprecated.cpp b/src/angle_deprecated.cpp
index 66efbfacbc..b5af217b7b 100644
--- a/src/angle_deprecated.cpp
+++ b/src/angle_deprecated.cpp
@@ -52,6 +52,6 @@ void AngleDeprecated::settings(int, char **)
     writemsg(lmp,"\nAngle style 'DEPRECATED' is a dummy style\n\n",0);
 
   }
-}  
+}
 
 
diff --git a/src/bond_deprecated.cpp b/src/bond_deprecated.cpp
index e7d91df7b5..567b1a4d00 100644
--- a/src/bond_deprecated.cpp
+++ b/src/bond_deprecated.cpp
@@ -52,6 +52,6 @@ void BondDeprecated::settings(int, char **)
     writemsg(lmp,"\nBond style 'DEPRECATED' is a dummy style\n\n",0);
 
   }
-}  
+}
 
 
diff --git a/src/compute_adf.cpp b/src/compute_adf.cpp
index 885a051b5b..e9f9ba2b6f 100644
--- a/src/compute_adf.cpp
+++ b/src/compute_adf.cpp
@@ -45,7 +45,7 @@ enum{DEGREE, RADIAN, COSINE};
 
 ComputeADF::ComputeADF(LAMMPS *lmp, int narg, char **arg) :
   Compute(lmp, narg, arg),
-  ilo(NULL), ihi(NULL), jlo(NULL), jhi(NULL), klo(NULL), khi(NULL), 
+  ilo(NULL), ihi(NULL), jlo(NULL), jhi(NULL), klo(NULL), khi(NULL),
   hist(NULL), histall(NULL),
   rcutinnerj(NULL), rcutinnerk(NULL),
   rcutouterj(NULL), rcutouterk(NULL),
@@ -53,7 +53,7 @@ ComputeADF::ComputeADF(LAMMPS *lmp, int narg, char **arg) :
   iatomcount(NULL), iatomcountall(NULL), iatomflag(NULL),
   maxjatom(NULL), maxkatom(NULL),
   numjatom(NULL), numkatom(NULL),
-  neighjatom(NULL),neighkatom(NULL), 
+  neighjatom(NULL),neighkatom(NULL),
   jatomflag(NULL), katomflag(NULL),
   maxjkatom(NULL), numjkatom(NULL),
   neighjkatom(NULL), bothjkatom(NULL), delrjkatom(NULL)
@@ -99,7 +99,7 @@ ComputeADF::ComputeADF(LAMMPS *lmp, int narg, char **arg) :
 
   if (!nargtriple) ntriples = 1;
   else {
-    if (nargtriple % nargsperadf) 
+    if (nargtriple % nargsperadf)
       error->all(FLERR,"Illegal compute adf command");
     ntriples = nargtriple/nargsperadf;
   }
@@ -140,8 +140,8 @@ ComputeADF::ComputeADF(LAMMPS *lmp, int narg, char **arg) :
       force->bounds(FLERR,arg[iarg],atom->ntypes,ilo[m],ihi[m]);
       force->bounds(FLERR,arg[iarg+1],atom->ntypes,jlo[m],jhi[m]);
       force->bounds(FLERR,arg[iarg+2],atom->ntypes,klo[m],khi[m]);
-      if (ilo[m] > ihi[m] || 
-          jlo[m] > jhi[m] || 
+      if (ilo[m] > ihi[m] ||
+          jlo[m] > jhi[m] ||
           klo[m] > khi[m])
         error->all(FLERR,"Illegal compute adf command");
       rcutinnerj[m] = force->numeric(FLERR,arg[iarg+3]);
@@ -157,7 +157,7 @@ ComputeADF::ComputeADF(LAMMPS *lmp, int narg, char **arg) :
   }
 
   // identify central atom types
- 
+
   int i,j,k;
 
   for (int m = 0; m < ntriples; m++) {
@@ -311,13 +311,13 @@ void ComputeADF::init()
 
   int x0;
   if (ordinate_style == DEGREE) {
-    deltax = MY_PI / nbin * rad2deg;    
-    deltaxinv = nbin / MY_PI; 
+    deltax = MY_PI / nbin * rad2deg;
+    deltaxinv = nbin / MY_PI;
     x0 = 0.0;
 
   } else if (ordinate_style == RADIAN) {
     deltax = MY_PI / nbin;
-    deltaxinv = nbin / MY_PI; 
+    deltaxinv = nbin / MY_PI;
     x0 = 0.0;
 
   } else if (ordinate_style == COSINE) {
@@ -392,7 +392,7 @@ void ComputeADF::compute_array()
   // tally the ADFs
   // all three atoms i, j, and k must be in fix group
   // tally I,J,K triple only if I is central atom
-  // and J,K matches unordered neighbor types (JJ,KK) 
+  // and J,K matches unordered neighbor types (JJ,KK)
 
   double **x = atom->x;
   int *type = atom->type;
@@ -422,22 +422,22 @@ void ComputeADF::compute_array()
       numkatom[m] = 0;
       numjkatom[m] = 0;
     }
-        
+
     for (jj = 0; jj < jnum; jj++) {
       j = jlist[jj];
       factor_lj = special_lj[sbmask(j)];
       factor_coul = special_coul[sbmask(j)];
       j &= NEIGHMASK;
-      
+
       // if both weighting factors are 0, skip this pair
       // could be 0 and still be in neigh list for long-range Coulombics
       // want consistency with non-charged triples which wouldn't be in list
-      
+
       if (factor_lj == 0.0 && factor_coul == 0.0) continue;
-      
+
       if (!(mask[j] & groupbit)) continue;
       jtype = type[j];
-      
+
       delx = xtmp - x[j][0];
       dely = ytmp - x[j][1];
       delz = ztmp - x[j][2];
@@ -451,8 +451,8 @@ void ComputeADF::compute_array()
         if (!iatomflag[m][itype]) continue;
 
         int jflag = 0;
-        if (jatomflag[m][jtype] && 
-            rsq >= rcutinnerj[m]*rcutinnerj[m] && 
+        if (jatomflag[m][jtype] &&
+            rsq >= rcutinnerj[m]*rcutinnerj[m] &&
             rsq <= rcutouterj[m]*rcutouterj[m]) {
           jflag = 1;
           jatom = numjatom[m]++;
@@ -462,10 +462,10 @@ void ComputeADF::compute_array()
             memory->grow(neighjatom[m],maxjatom[m],"adf:neighjatom");
           }
         }
-        
+
         int kflag = 0;
-        if (katomflag[m][jtype] && 
-            rsq >= rcutinnerk[m]*rcutinnerk[m] && 
+        if (katomflag[m][jtype] &&
+            rsq >= rcutinnerk[m]*rcutinnerk[m] &&
             rsq <= rcutouterk[m]*rcutouterk[m]) {
           kflag = 1;
           katom = numkatom[m]++;
@@ -492,7 +492,7 @@ void ComputeADF::compute_array()
             memory->grow(delrjkatom[m],maxjkatom[m],4,"adf:delrjkatom");
           }
 
-          // indicate if atom in both lists 
+          // indicate if atom in both lists
 
           if (jflag && kflag)
             bothjkatom[m][jk] = 1;
@@ -558,7 +558,7 @@ void ComputeADF::compute_array()
   // copy into output array
 
   for (m = 0; m < ntriples; m++) {
-  
+
     double count = 0;
     for (ibin = 0; ibin < nbin; ibin++)
       count += histall[m][ibin];
diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp
index cf5c9e808d..641784fe03 100644
--- a/src/compute_angle_local.cpp
+++ b/src/compute_angle_local.cpp
@@ -53,7 +53,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
   bstyle = new int[nvalues];
   vstr = new char*[nvalues];
   vvar = new int[nvalues];
-  
+
   nvalues = 0;
   tflag = 0;
   nvar = 0;
@@ -78,7 +78,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
 
   setflag = 0;
   tstr = NULL;
-  
+
   while (iarg < narg) {
     if (strcmp(arg[iarg],"set") == 0) {
       setflag = 1;
@@ -114,7 +114,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
       if (!input->variable->internalstyle(tvar))
         error->all(FLERR,"Variable for compute angle/local is invalid style");
     }
-  } else if (setflag) 
+  } else if (setflag)
     error->all(FLERR,"Compute angle/local set with no variable");
 
   // initialize output
@@ -289,7 +289,7 @@ int ComputeAngleLocal::compute_angles(int flag)
 
       if (nvalues == 1) ptr = &vlocal[m];
       else ptr = alocal[m];
-      
+
       if (nvar) {
 	ivar = 0;
 	if (tstr) input->variable->internal_set(tvar,theta);
diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp
index 72ce2b5f8d..adbbde1a0c 100644
--- a/src/compute_bond_local.cpp
+++ b/src/compute_bond_local.cpp
@@ -55,7 +55,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
   bstyle = new int[nvalues];
   vstr = new char*[nvalues];
   vvar = new int[nvalues];
-  
+
   nvalues = 0;
   nvar = 0;
 
@@ -82,7 +82,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
 
   setflag = 0;
   dstr = NULL;
-  
+
   while (iarg < narg) {
     if (strcmp(arg[iarg],"set") == 0) {
       setflag = 1;
@@ -117,10 +117,10 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
       if (!input->variable->internalstyle(dvar))
         error->all(FLERR,"Variable for compute bond/local is invalid style");
     }
-  } else if (setflag) 
+  } else if (setflag)
     error->all(FLERR,"Compute bond/local set with no variable");
 
-  
+
   // set singleflag if need to call bond->single()
   // set velflag if compute any quantities based on velocities
 
diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp
index c5fd27b0c1..36fad5cca1 100644
--- a/src/compute_chunk_spread_atom.cpp
+++ b/src/compute_chunk_spread_atom.cpp
@@ -117,7 +117,7 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
                    "does not exist");
 
       char *ptr = strstr(modify->compute[icompute]->style,"/chunk");
-      if (!ptr || (ptr !=  modify->compute[icompute]->style + 
+      if (!ptr || (ptr !=  modify->compute[icompute]->style +
                    strlen(modify->compute[icompute]->style) - strlen("/chunk")))
         error->all(FLERR,"Compute for compute chunk/spread/atom "
                    "does not calculate per-chunk values");
diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp
index 919081236c..9e18d03f9f 100644
--- a/src/compute_dihedral_local.cpp
+++ b/src/compute_dihedral_local.cpp
@@ -56,7 +56,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
   bstyle = new int[nvalues];
   vstr = new char*[nvalues];
   vvar = new int[nvalues];
-  
+
   nvalues = 0;
   nvar = 0;
 
@@ -77,11 +77,11 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
 
   setflag = 0;
   pstr = NULL;
-  
+
   while (iarg < narg) {
     if (strcmp(arg[iarg],"set") == 0) {
       setflag = 1;
-      if (iarg+3 > narg) 
+      if (iarg+3 > narg)
         error->all(FLERR,"Illegal compute dihedral/local command");
       if (strcmp(arg[iarg+1],"phi") == 0) {
         delete [] pstr;
@@ -115,7 +115,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
       if (!input->variable->internalstyle(pvar))
         error->all(FLERR,"Variable for compute dihedral/local is invalid style");
     }
-  } else if (setflag) 
+  } else if (setflag)
     error->all(FLERR,"Compute dihedral/local set with no variable");
 
   // initialize output
@@ -295,17 +295,17 @@ int ComputeDihedralLocal::compute_dihedrals(int flag)
       if (rasq > 0) ra2inv = 1.0/rasq;
       if (rbsq > 0) rb2inv = 1.0/rbsq;
       rabinv = sqrt(ra2inv*rb2inv);
-      
+
       c = (ax*bx + ay*by + az*bz)*rabinv;
       s = rg*rabinv*(ax*vb3x + ay*vb3y + az*vb3z);
-      
+
       if (c > 1.0) c = 1.0;
       if (c < -1.0) c = -1.0;
       phi = atan2(s,c);
 
       if (nvalues == 1) ptr = &vlocal[m];
       else ptr = alocal[m];
-      
+
       if (nvar) {
 	ivar = 0;
 	if (pstr) input->variable->internal_set(pvar,phi);
diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp
index 0b6b40b62a..d8f279058e 100644
--- a/src/compute_displace_atom.cpp
+++ b/src/compute_displace_atom.cpp
@@ -48,7 +48,7 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
   int iarg = 3;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"refresh") == 0) {
-      if (iarg+2 > narg) 
+      if (iarg+2 > narg)
         error->all(FLERR,"Illegal compute displace/atom command");
       refreshflag = 1;
       delete [] rvar;
@@ -63,7 +63,7 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
 
   if (refreshflag) {
     ivar = input->variable->find(rvar);
-    if (ivar < 0) 
+    if (ivar < 0)
       error->all(FLERR,"Variable name for compute displace/atom does not exist");
     if (input->variable->atomstyle(ivar) == 0)
       error->all(FLERR,"Compute displace/atom variable "
diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp
index 0809cc8b8e..d49485b4ea 100644
--- a/src/compute_rdf.cpp
+++ b/src/compute_rdf.cpp
@@ -77,7 +77,7 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
   // pairwise args
 
   if (nargpair == 0) npairs = 1;
-  else { 
+  else {
     if (nargpair % 2) error->all(FLERR,"Illegal compute rdf command");
     npairs = nargpair/2;
   }
diff --git a/src/compute_reduce_chunk.cpp b/src/compute_reduce_chunk.cpp
index beebc5f411..32c4d9c786 100644
--- a/src/compute_reduce_chunk.cpp
+++ b/src/compute_reduce_chunk.cpp
@@ -51,7 +51,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
   init_chunk();
 
   // mode
-  
+
   if (strcmp(arg[4],"sum") == 0) mode = SUM;
   else if (strcmp(arg[4],"min") == 0) mode = MINN;
   else if (strcmp(arg[4],"max") == 0) mode = MAXX;
@@ -118,7 +118,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
   }
 
   // error check
-  
+
   for (int i = 0; i < nvalues; i++) {
     if (which[i] == COMPUTE) {
       int icompute = modify->find_compute(ids[i]);
@@ -134,11 +134,11 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
       if (argindex[i] && modify->compute[icompute]->size_peratom_cols == 0)
 	error->all(FLERR,"Compute reduce/chunk compute does not "
 		   "calculate a per-atom array");
-      if (argindex[i] && 
+      if (argindex[i] &&
           argindex[i] > modify->compute[icompute]->size_peratom_cols)
 	error->all(FLERR,
 		   "Compute reduce/chunk compute array is accessed out-of-range");
-      
+
     } else if (which[i] == FIX) {
       int ifix = modify->find_fix(ids[i]);
       if (ifix < 0)
@@ -156,7 +156,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
       if (argindex[i] && argindex[i] > modify->fix[ifix]->size_peratom_cols)
 	error->all(FLERR,"Compute reduce/chunk fix array is "
                    "accessed out-of-range");
-      
+
     } else if (which[i] == VARIABLE) {
       int ivariable = input->variable->find(ids[i]);
       if (ivariable < 0)
@@ -181,7 +181,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
   }
 
   // setup
-  
+
   if (mode == SUM) initvalue = 0.0;
   else if (mode == MINN) initvalue = BIG;
   else if (mode == MAXX) initvalue = -BIG;
@@ -199,7 +199,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
 ComputeReduceChunk::~ComputeReduceChunk()
 {
   delete [] idchunk;
-  
+
   delete [] which;
   delete [] argindex;
   for (int m = 0; m < nvalues; m++) delete [] ids[m];
@@ -210,7 +210,7 @@ ComputeReduceChunk::~ComputeReduceChunk()
   memory->destroy(vglobal);
   memory->destroy(alocal);
   memory->destroy(aglobal);
-  
+
   memory->destroy(varatom);
 }
 
@@ -284,11 +284,11 @@ void ComputeReduceChunk::compute_vector()
   }
 
   // perform local reduction of single peratom value
-  
+
   compute_one(0,vlocal,1);
-  
+
   // reduce the per-chunk values across all procs
-  
+
   if (mode == SUM)
     MPI_Allreduce(vlocal,vglobal,nchunk,MPI_DOUBLE,MPI_SUM,world);
   else if (mode == MINN)
@@ -296,7 +296,7 @@ void ComputeReduceChunk::compute_vector()
   else if (mode == MAXX)
     MPI_Allreduce(vlocal,vglobal,nchunk,MPI_DOUBLE,MPI_MAX,world);
 }
- 
+
 /* ---------------------------------------------------------------------- */
 
 void ComputeReduceChunk::compute_array()
@@ -324,11 +324,11 @@ void ComputeReduceChunk::compute_array()
   }
 
   // perform local reduction of all peratom values
-  
+
   for (int m = 0; m < nvalues; m++) compute_one(m,&alocal[0][m],nvalues);
 
   // reduce the per-chunk values across all procs
-  
+
   if (mode == SUM)
     MPI_Allreduce(&alocal[0][0],&aglobal[0][0],nchunk*nvalues,
                   MPI_DOUBLE,MPI_SUM,world);
@@ -339,13 +339,13 @@ void ComputeReduceChunk::compute_array()
     MPI_Allreduce(&alocal[0][0],&aglobal[0][0],nchunk*nvalues,
                   MPI_DOUBLE,MPI_MAX,world);
 }
- 
+
 /* ---------------------------------------------------------------------- */
 
 void ComputeReduceChunk::compute_one(int m, double *vchunk, int nstride)
 {
   // initialize per-chunk values in accumulation vector
-  
+
   for (int i = 0; i < nchunk; i += nstride) vchunk[i] = initvalue;
 
   // loop over my atoms
@@ -382,7 +382,7 @@ void ComputeReduceChunk::compute_one(int m, double *vchunk, int nstride)
 	combine(vchunk[index*nstride],acompute[i][argindexm1]);
       }
     }
-    
+
   // access fix fields, check if fix frequency is a match
 
   } else if (which[m] == FIX) {
diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp
index 383c60f1cd..9c536dcbc6 100644
--- a/src/create_atoms.cpp
+++ b/src/create_atoms.cpp
@@ -576,11 +576,11 @@ void CreateAtoms::add_single()
   if (triclinic) {
     domain->x2lamda(xone,lamda);
     if (remapflag) {
-      if (domain->xperiodic && (lamda[0] < 0.0 || lamda[0] >= 1.0)) 
+      if (domain->xperiodic && (lamda[0] < 0.0 || lamda[0] >= 1.0))
         lamda[0] = 0.0;
-      if (domain->yperiodic && (lamda[1] < 0.0 || lamda[1] >= 1.0)) 
+      if (domain->yperiodic && (lamda[1] < 0.0 || lamda[1] >= 1.0))
         lamda[1] = 0.0;
-      if (domain->zperiodic && (lamda[2] < 0.0 || lamda[2] >= 1.0)) 
+      if (domain->zperiodic && (lamda[2] < 0.0 || lamda[2] >= 1.0))
         lamda[2] = 0.0;
     }
     coord = lamda;
diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index e26ecad5f3..ec713b8b84 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -68,7 +68,7 @@ void DeleteAtoms::command(int narg, char **arg)
 
   if (allflag) {
     int igroup = group->find("all");
-    if ((igroup >= 0) && 
+    if ((igroup >= 0) &&
         modify->check_rigid_group_overlap(group->bitmask[igroup]))
       error->warning(FLERR,"Attempting to delete atoms in rigid bodies");
   } else {
diff --git a/src/dihedral_deprecated.cpp b/src/dihedral_deprecated.cpp
index 138d0971a8..70888ca76d 100644
--- a/src/dihedral_deprecated.cpp
+++ b/src/dihedral_deprecated.cpp
@@ -52,6 +52,6 @@ void DihedralDeprecated::settings(int, char **)
     writemsg(lmp,"\nDihedral style 'DEPRECATED' is a dummy style\n\n",0);
 
   }
-}  
+}
 
 
diff --git a/src/fix_group.cpp b/src/fix_group.cpp
index 0980ff5456..8a332bed95 100644
--- a/src/fix_group.cpp
+++ b/src/fix_group.cpp
@@ -205,7 +205,7 @@ void FixGroup::set_group()
 
   // invoke atom-style variable if defined
   // set post_integrate flag to 1, then unset after
-  // this is for any compute to check if it needs to 
+  // this is for any compute to check if it needs to
   //   operate differently due to invocation this early in timestep
   // e.g. perform ghost comm update due to atoms having just moved
 
diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp
index bb09116374..08485d65b3 100644
--- a/src/fix_restrain.cpp
+++ b/src/fix_restrain.cpp
@@ -191,7 +191,7 @@ void FixRestrain::min_setup(int vflag)
 void FixRestrain::post_force(int /*vflag*/)
 {
   energy = 0.0;
-  
+
   ebond = 0.0;
   eangle = 0.0;
   edihed = 0.0;
@@ -658,7 +658,7 @@ double FixRestrain::compute_vector(int n)
   } else if (n == 1) {
     MPI_Allreduce(&eangle,&eangle_all,1,MPI_DOUBLE,MPI_SUM,world);
     return eangle_all;
-  } else if (n == 2) { 
+  } else if (n == 2) {
     MPI_Allreduce(&edihed,&edihed_all,1,MPI_DOUBLE,MPI_SUM,world);
     return edihed_all;
   } else {
diff --git a/src/improper_deprecated.cpp b/src/improper_deprecated.cpp
index e03fd785a7..6f4d08764f 100644
--- a/src/improper_deprecated.cpp
+++ b/src/improper_deprecated.cpp
@@ -52,6 +52,6 @@ void ImproperDeprecated::settings(int, char **)
     writemsg(lmp,"\nImproper style 'DEPRECATED' is a dummy style\n\n",0);
 
   }
-}  
+}
 
 
diff --git a/src/library.cpp b/src/library.cpp
index a46689da09..429dd14cd9 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -957,7 +957,7 @@ void lammps_gather_atoms_concat(void *ptr, char *name,
     }
 
     // perform MPI_Allgatherv on each proc's chunk of Nlocal atoms
-    
+
     int nprocs = lmp->comm->nprocs;
 
     int *recvcounts,*displs;
@@ -1078,7 +1078,7 @@ void lammps_gather_atoms_subset(void *ptr, char *name,
   LAMMPS *lmp = (LAMMPS *) ptr;
 
   BEGIN_CAPTURE
-  { 
+  {
     int i,j,m,offset;
     tagint id;
 
@@ -1319,9 +1319,9 @@ void lammps_scatter_atoms(void *ptr, char *name,
 ------------------------------------------------------------------------- */
 
 void lammps_scatter_atoms_subset(void *ptr, char *name,
-                                 int type, int count, 
+                                 int type, int count,
                                  int ndata, int *ids, void *data)
-{ 
+{
   LAMMPS *lmp = (LAMMPS *) ptr;
 
   BEGIN_CAPTURE
diff --git a/src/pair_deprecated.cpp b/src/pair_deprecated.cpp
index 20b5c9775b..d8b3716341 100644
--- a/src/pair_deprecated.cpp
+++ b/src/pair_deprecated.cpp
@@ -52,6 +52,6 @@ void PairDeprecated::settings(int, char **)
     writemsg(lmp,"\nPair style 'DEPRECATED' is a dummy style\n\n",0);
 
   }
-}  
+}
 
 
diff --git a/src/write_data.cpp b/src/write_data.cpp
index f18e30de52..7047aacfd4 100644
--- a/src/write_data.cpp
+++ b/src/write_data.cpp
@@ -255,7 +255,7 @@ void WriteData::header()
     }
   }
 
-  if (fixflag) 
+  if (fixflag)
     for (int i = 0; i < modify->nfix; i++)
       if (modify->fix[i]->wd_header)
         for (int m = 0; m < modify->fix[i]->wd_header; m++)

From 1c795a6be3c590eb83666c94f6553f02a07f66e1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 1 Dec 2018 21:38:22 -0500
Subject: [PATCH 241/273] remove trailing blanks

---
 src/BODY/body_rounded_polygon.cpp             | 16 ++--
 src/BODY/body_rounded_polyhedron.cpp          | 12 +--
 src/BODY/fix_wall_body_polygon.cpp            |  4 +-
 src/BODY/fix_wall_body_polyhedron.cpp         | 18 ++--
 src/BODY/fix_wall_body_polyhedron.h           |  2 +-
 src/BODY/pair_body_rounded_polygon.cpp        | 22 ++---
 src/BODY/pair_body_rounded_polyhedron.cpp     | 72 +++++++--------
 src/BODY/pair_body_rounded_polyhedron.h       |  6 +-
 src/KOKKOS/atom_vec_sphere_kokkos.cpp         |  4 +-
 src/KOKKOS/comm_kokkos.cpp                    |  2 +-
 src/KOKKOS/fix_freeze_kokkos.cpp              |  2 +-
 src/KOKKOS/fix_freeze_kokkos.h                |  4 +-
 src/KOKKOS/fix_gravity_kokkos.h               |  2 +-
 src/KOKKOS/fix_neigh_history_kokkos.cpp       |  8 +-
 src/KOKKOS/fix_neigh_history_kokkos.h         |  4 +-
 src/KOKKOS/fix_nve_sphere_kokkos.cpp          |  6 +-
 src/KOKKOS/fix_nve_sphere_kokkos.h            |  4 +-
 src/KOKKOS/kokkos.h                           |  4 +-
 src/KOKKOS/pair_gran_hooke_history_kokkos.cpp | 14 +--
 src/KOKKOS/pair_gran_hooke_history_kokkos.h   |  6 +-
 src/KOKKOS/pair_reaxc_kokkos.cpp              |  2 +-
 src/KSPACE/ewald.cpp                          |  2 +-
 src/LATTE/fix_latte.cpp                       |  2 +-
 src/MANYBODY/pair_atm.cpp                     | 14 +--
 src/MANYBODY/pair_atm.h                       |  2 +-
 src/MANYBODY/pair_gw.cpp                      |  2 +-
 src/MESSAGE/fix_client_md.cpp                 |  6 +-
 src/MESSAGE/message.cpp                       | 12 +--
 src/MESSAGE/server_mc.cpp                     |  2 +-
 src/MESSAGE/server_md.cpp                     | 16 ++--
 src/POEMS/fix_poems.cpp                       |  2 +-
 src/REPLICA/fix_hyper_global.cpp              |  8 +-
 src/REPLICA/fix_hyper_local.cpp               | 46 +++++-----
 src/REPLICA/fix_hyper_local.h                 |  4 +-
 src/REPLICA/hyper.cpp                         | 10 +--
 src/RIGID/fix_ehex.h                          |  6 +-
 src/RIGID/fix_rattle.h                        |  8 +-
 src/RIGID/fix_rigid.cpp                       |  6 +-
 src/RIGID/fix_rigid_small.cpp                 |  4 +-
 src/SPIN/pair_spin_dmi.cpp                    |  2 +-
 src/SPIN/pair_spin_exchange.cpp               |  4 +-
 src/USER-INTEL/fix_intel.cpp                  |  2 +-
 src/USER-INTEL/fix_intel.h                    | 12 +--
 src/USER-INTEL/intel_buffers.cpp              |  4 +-
 src/USER-INTEL/intel_preprocess.h             |  2 +-
 src/USER-INTEL/npair_full_bin_ghost_intel.cpp |  4 +-
 .../npair_halffull_newton_intel.cpp           |  4 +-
 src/USER-INTEL/npair_intel.cpp                | 16 ++--
 src/USER-INTEL/npair_intel.h                  |  4 +-
 src/USER-INTEL/npair_skip_intel.cpp           |  4 +-
 src/USER-INTEL/npair_skip_intel.h             |  2 +-
 src/USER-INTEL/pair_airebo_intel.h            |  2 +-
 src/USER-INTEL/pair_buck_coul_cut_intel.cpp   |  2 +-
 src/USER-INTEL/pair_dpd_intel.cpp             |  2 +-
 src/USER-INTEL/pppm_intel.cpp                 |  4 +-
 src/USER-MEAMC/meam_impl.cpp                  |  8 +-
 src/USER-MISC/compute_stress_mop.h            | 38 ++++----
 src/USER-MISC/compute_stress_mop_profile.h    | 36 ++++----
 src/USER-MISC/dihedral_table_cut.cpp          |  8 +-
 src/USER-MISC/pair_kolmogorov_crespi_z.cpp    | 14 +--
 src/USER-MISC/pair_lj_mdf.cpp                 |  4 +-
 src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp | 38 ++++----
 .../pair_buck6d_coul_gauss_long.cpp           | 36 ++++----
 src/USER-PTM/ptm_polar.cpp                    | 14 +--
 src/USER-SCAFACOS/scafacos.cpp                | 90 +++++++++----------
 src/USER-SDPD/fix_meso_move.cpp               |  2 +-
 src/USER-SDPD/fix_rigid_meso.cpp              | 18 ++--
 .../pair_sdpd_taitwater_isothermal.cpp        | 24 ++---
 src/USER-UEF/uef_utils.cpp                    | 14 +--
 69 files changed, 390 insertions(+), 390 deletions(-)

diff --git a/src/BODY/body_rounded_polygon.cpp b/src/BODY/body_rounded_polygon.cpp
index 00a09c912d..d352c789d7 100644
--- a/src/BODY/body_rounded_polygon.cpp
+++ b/src/BODY/body_rounded_polygon.cpp
@@ -170,7 +170,7 @@ void BodyRoundedPolygon::data_body(int ibonus, int ninteger, int ndouble,
   // nentries = number of double entries to be read from Body section:
   //   6 for inertia + 3*nsub for vertex coords + 1 for rounded radius
 
-  int nentries = 6 + 3*nsub + 1; 
+  int nentries = 6 + 3*nsub + 1;
   if (ndouble != nentries)
     error->one(FLERR,"Incorrect # of floating-point values in "
              "Bodies section of data file");
@@ -279,7 +279,7 @@ void BodyRoundedPolygon::data_body(int ibonus, int ninteger, int ndouble,
       bonus->dvalue[k] = 0;
       *(&bonus->dvalue[k]+1) = 1;
       k += 2;
-    }    
+    }
 
     erad = sqrt(erad2);
     bonus->dvalue[k] = erad;
@@ -341,7 +341,7 @@ double BodyRoundedPolygon::radius_body(int /*ninteger*/, int ndouble,
   double maxrad = 0.0;
   double delta[3];
 
-  int offset = 6;          
+  int offset = 6;
   for (int i = 0; i < nsub; i++) {
     delta[0] = dfile[offset];
     delta[1] = dfile[offset+1];
@@ -350,9 +350,9 @@ double BodyRoundedPolygon::radius_body(int /*ninteger*/, int ndouble,
     onerad = MathExtra::len3(delta);
     maxrad = MAX(maxrad,onerad);
   }
-  
+
   // add in radius of rounded corners
-  
+
   return maxrad + 0.5*dfile[offset];
 }
 
@@ -401,7 +401,7 @@ int BodyRoundedPolygon::image(int ibonus, double flag1, double /*flag2*/,
 
   AtomVecBody::Bonus *bonus = &avec->bonus[ibonus];
   int n = bonus->ivalue[0];
-  
+
   if (n == 1) {
     for (int i = 0; i < n; i++) {
       imflag[i] = SPHERE;
@@ -418,7 +418,7 @@ int BodyRoundedPolygon::image(int ibonus, double flag1, double /*flag2*/,
     }
 
   } else {
-  
+
     // first end pt of each line
 
     for (int i = 0; i < n; i++) {
@@ -436,7 +436,7 @@ int BodyRoundedPolygon::image(int ibonus, double flag1, double /*flag2*/,
     }
 
     // second end pt of each line
-  
+
     for (int i = 0; i < n; i++) {
       j = i+1;
       if (j == n) j = 0;
diff --git a/src/BODY/body_rounded_polyhedron.cpp b/src/BODY/body_rounded_polyhedron.cpp
index 0e2ebbed83..99a380a932 100644
--- a/src/BODY/body_rounded_polyhedron.cpp
+++ b/src/BODY/body_rounded_polyhedron.cpp
@@ -132,7 +132,7 @@ double BodyRoundedPolyhedron::enclosing_radius(struct AtomVecBody::Bonus *bonus)
   int nvertices = bonus->ivalue[0];
   if (nvertices == 1 || nvertices == 2)
   	return *(bonus->dvalue+3*nsub(bonus)+2);
-  return *(bonus->dvalue+3*nsub(bonus) + 2*nedges(bonus) + 
+  return *(bonus->dvalue+3*nsub(bonus) + 2*nedges(bonus) +
            MAX_FACE_SIZE*nfaces(bonus));
 }
 
@@ -143,7 +143,7 @@ double BodyRoundedPolyhedron::rounded_radius(struct AtomVecBody::Bonus *bonus)
   int nvertices = bonus->ivalue[0];
   if (nvertices == 1 || nvertices == 2)
     return *(bonus->dvalue+3*nsub(bonus)+2+1);
-  return *(bonus->dvalue+3*nsub(bonus) + 2*nedges(bonus) + 
+  return *(bonus->dvalue+3*nsub(bonus) + 2*nedges(bonus) +
            MAX_FACE_SIZE*nfaces(bonus)+1);
 }
 
@@ -207,7 +207,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
   // nsub == 1 || nsub == 2 || nsub == 3:
   //   6 for inertia + 3*nsub for vertex coords + 1 for rounded radius
   // nsub > 3:
-  //   6 for inertia + 3*nsub for vertex coords + 2*nsub for edges + 
+  //   6 for inertia + 3*nsub for vertex coords + 2*nsub for edges +
   //   3*nfaces + 1 for rounded radius
 
   int nedges,nentries;
@@ -327,7 +327,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
       bonus->dvalue[k] = 0;
       *(&bonus->dvalue[k]+1) = 1;
       k += 2;
-    }    
+    }
 
     erad = sqrt(erad2);
     bonus->dvalue[k] = erad;
@@ -407,7 +407,7 @@ double BodyRoundedPolyhedron::radius_body(int /*ninteger*/, int ndouble,
   double maxrad = 0.0;
   double delta[3];
 
-  int offset = 6;          
+  int offset = 6;
   for (int i = 0; i < nsub; i++) {
     delta[0] = dfile[offset];
     delta[1] = dfile[offset+1];
@@ -420,7 +420,7 @@ double BodyRoundedPolyhedron::radius_body(int /*ninteger*/, int ndouble,
   if (nsub > 2) offset += (2*nedges+MAX_FACE_SIZE*nfac);
 
   // add in radius of rounded corners
-  
+
   return maxrad + 0.5*dfile[offset];
 }
 
diff --git a/src/BODY/fix_wall_body_polygon.cpp b/src/BODY/fix_wall_body_polygon.cpp
index 3f8c08b6bd..0c9bd3e741 100644
--- a/src/BODY/fix_wall_body_polygon.cpp
+++ b/src/BODY/fix_wall_body_polygon.cpp
@@ -263,7 +263,7 @@ void FixWallBodyPolygon::post_force(int /*vflag*/)
   }
 
   ndiscrete = nedge = 0;
-  for (i = 0; i < nlocal; i++) 
+  for (i = 0; i < nlocal; i++)
     dnum[i] = ednum[i] = 0;
 
   for (i = 0; i < nlocal; i++) {
@@ -675,7 +675,7 @@ void FixWallBodyPolygon::contact_forces(Contact& contact, double j_a,
   AtomVecBody::Bonus *bonus;
 
   ibody = contact.ibody;
-  
+
   // compute the velocity of the vertex in the space-fixed frame
 
   ibonus = atom->body[ibody];
diff --git a/src/BODY/fix_wall_body_polyhedron.cpp b/src/BODY/fix_wall_body_polyhedron.cpp
index 9504e256b4..295608a444 100644
--- a/src/BODY/fix_wall_body_polyhedron.cpp
+++ b/src/BODY/fix_wall_body_polyhedron.cpp
@@ -102,7 +102,7 @@ FixWallBodyPolyhedron::FixWallBodyPolyhedron(LAMMPS *lmp, int narg, char **arg)
     if (strcmp(arg[iarg+2],"NULL") == 0) hi = BIG;
     else hi = force->numeric(FLERR,arg[iarg+2]);
     iarg += 3;
-  } 
+  }
 
   // check for trailing keyword/values
 
@@ -274,7 +274,7 @@ void FixWallBodyPolyhedron::post_force(int /*vflag*/)
   }
 
   ndiscrete = nedge = nface = 0;
-  for (i = 0; i < nlocal; i++) 
+  for (i = 0; i < nlocal; i++)
     dnum[i] = ednum[i] = facnum[i] = 0;
 
   for (i = 0; i < nlocal; i++) {
@@ -320,7 +320,7 @@ void FixWallBodyPolyhedron::post_force(int /*vflag*/)
           wall_pos = whi;
           side = ZHI;
         }
-      } 
+      }
 
       rsq = dx*dx + dy*dy + dz*dz;
       if (rsq > radius[i]*radius[i]) continue;
@@ -502,7 +502,7 @@ int FixWallBodyPolyhedron::sphere_against_wall(int i, double wall_pos,
     hi[0] = x[i][0];
     hi[1] = x[i][1];
     hi[2] = wall_pos;
-  } 
+  }
 
   distance(hi, x[i], d);
 
@@ -536,7 +536,7 @@ int FixWallBodyPolyhedron::sphere_against_wall(int i, double wall_pos,
    Output:
      contact_list = list of contacts between i and the wall
      num_contacts = number of contacts between i's vertices and the wall
-   Return: 
+   Return:
      number of contacts of the edge to the wall (0, 1 or 2)
 ---------------------------------------------------------------------- */
 
@@ -578,7 +578,7 @@ int FixWallBodyPolyhedron::edge_against_wall(int i, double wall_pos,
 ------------------------------------------------------------------------- */
 
 int FixWallBodyPolyhedron::compute_distance_to_wall(int ibody, int edge_index,
-                        double *xmi, double rounded_radius_i, double wall_pos, 
+                        double *xmi, double rounded_radius_i, double wall_pos,
                         int /*side*/, double* vwall, int &contact)
 {
   int mode,ifirst,iefirst,npi1,npi2;
@@ -623,7 +623,7 @@ int FixWallBodyPolyhedron::compute_distance_to_wall(int ibody, int edge_index,
     hi[0] = xpi1[0];
     hi[1] = xpi1[1];
     hi[2] = wall_pos;
-  } 
+  }
 
   distance(hi, xpi1, d1);
 
@@ -658,7 +658,7 @@ int FixWallBodyPolyhedron::compute_distance_to_wall(int ibody, int edge_index,
     hi[0] = xpi2[0];
     hi[1] = xpi2[1];
     hi[2] = wall_pos;
-  } 
+  }
 
   distance(hi, xpi2, d2);
 
@@ -790,7 +790,7 @@ void FixWallBodyPolyhedron::contact_forces(Contact& contact, double j_a,
   AtomVecBody::Bonus *bonus;
 
   ibody = contact.ibody;
-  
+
   // compute the velocity of the vertex in the space-fixed frame
 
   ibonus = atom->body[ibody];
diff --git a/src/BODY/fix_wall_body_polyhedron.h b/src/BODY/fix_wall_body_polyhedron.h
index ff7b7ca7cf..7479f79e23 100644
--- a/src/BODY/fix_wall_body_polyhedron.h
+++ b/src/BODY/fix_wall_body_polyhedron.h
@@ -90,7 +90,7 @@ class FixWallBodyPolyhedron : public Fix {
                                double rounded_radius_i, double wall_pos, int side,
                                double* vwall, int &contact);
   double contact_separation(const Contact& c1, const Contact& c2);
-  void contact_forces(int ibody, double j_a, double *xi, double *xj, 
+  void contact_forces(int ibody, double j_a, double *xi, double *xj,
                       double delx, double dely, double delz,
                       double fx, double fy, double fz, double** x, double** v,
                       double** angmom, double** f, double** torque, double* vwall);
diff --git a/src/BODY/pair_body_rounded_polygon.cpp b/src/BODY/pair_body_rounded_polygon.cpp
index 9040817772..b6dcab29ae 100644
--- a/src/BODY/pair_body_rounded_polygon.cpp
+++ b/src/BODY/pair_body_rounded_polygon.cpp
@@ -275,9 +275,9 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
 
               // scale the force at both contacts
 
-              contact_forces(contact_list[m], j_a, x, v, angmom, f, torque, 
+              contact_forces(contact_list[m], j_a, x, v, angmom, f, torque,
                              evdwl, facc);
-              contact_forces(contact_list[n], j_a, x, v, angmom, f, torque, 
+              contact_forces(contact_list[n], j_a, x, v, angmom, f, torque,
                              evdwl, facc);
               done = 1;
 
@@ -288,15 +288,15 @@ void PairBodyRoundedPolygon::compute(int eflag, int vflag)
                      "xv = %f %f %f; xe = %f %f %f\n",
                      m, contact_list[m].vertex, contact_list[m].ibody,
                      contact_list[m].edge, contact_list[m].jbody,
-                     contact_list[m].xv[0], contact_list[m].xv[1], 
-                     contact_list[m].xv[2], contact_list[m].xe[0], 
+                     contact_list[m].xv[0], contact_list[m].xv[1],
+                     contact_list[m].xv[2], contact_list[m].xe[0],
                      contact_list[m].xe[1], contact_list[m].xe[2]);
               printf("    %d: vertex %d of body %d and edge %d of body %d; "
                      "xv = %f %f %f; xe = %f %f %f\n",
                      n, contact_list[n].vertex, contact_list[n].ibody,
                      contact_list[n].edge, contact_list[n].jbody,
-                     contact_list[n].xv[0], contact_list[n].xv[1], 
-                     contact_list[n].xv[2], contact_list[n].xe[0], 
+                     contact_list[n].xv[0], contact_list[n].xv[1],
+                     contact_list[n].xv[2], contact_list[n].xe[0],
                      contact_list[n].xe[1], contact_list[n].xe[2]);
               #endif
 
@@ -420,7 +420,7 @@ void PairBodyRoundedPolygon::coeff(int narg, char **arg)
 void PairBodyRoundedPolygon::init_style()
 {
   avec = (AtomVecBody *) atom->style_match("body");
-  if (!avec) 
+  if (!avec)
     error->all(FLERR,"Pair body/rounded/polygon requires atom style body");
   if (strcmp(avec->bptr->style,"rounded/polygon") != 0)
     error->all(FLERR,"Pair body/rounded/polygon requires "
@@ -501,7 +501,7 @@ void PairBodyRoundedPolygon::init_style()
       if (dnum[i] == 0) body2space(i);
       eradi = enclosing_radius[i];
       if (eradi > merad[itype]) merad[itype] = eradi;
-    } else 
+    } else
       merad[itype] = 0;
   }
 
@@ -669,7 +669,7 @@ void PairBodyRoundedPolygon::sphere_against_sphere(int i, int j,
   f[i][0] += fx;
   f[i][1] += fy;
   f[i][2] += fz;
-  
+
   if (newton_pair || j < nlocal) {
     f[j][0] -= fx;
     f[j][1] -= fy;
@@ -860,7 +860,7 @@ int PairBodyRoundedPolygon::vertex_against_edge(int i, int j,
 
         #ifdef _CONVEX_POLYGON
         // done with the edges from body j,
-        // given that vertex ni interacts with only one vertex 
+        // given that vertex ni interacts with only one vertex
         //   from one edge of body j
         break;
         #endif
@@ -1124,7 +1124,7 @@ int PairBodyRoundedPolygon::compute_distance_to_vertex(int ibody,
         mode = EDGE;
         if (d < contact_dist + EPSILON)
           contact = 1;
-        
+
       } else { // t < 0 || t > 1: closer to either vertices of the edge
 
         if (t < 0) {
diff --git a/src/BODY/pair_body_rounded_polyhedron.cpp b/src/BODY/pair_body_rounded_polyhedron.cpp
index eea2aa3724..1a4653ce53 100644
--- a/src/BODY/pair_body_rounded_polyhedron.cpp
+++ b/src/BODY/pair_body_rounded_polyhedron.cpp
@@ -283,7 +283,7 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
       // check interaction between i's edges and j' faces
       #ifdef _POLYHEDRON_DEBUG
       printf("INTERACTION between edges of %d vs. faces of %d:\n", i, j);
-      #endif 
+      #endif
       interact = edge_against_face(i, j, itype, jtype, x, contact_list,
                                    num_contacts, evdwl, facc);
 
@@ -297,7 +297,7 @@ void PairBodyRoundedPolyhedron::compute(int eflag, int vflag)
       // check interaction between i's edges and j' edges
       #ifdef _POLYHEDRON_DEBUG
       printf("INTERACTION between edges of %d vs. edges of %d:\n", i, j);
-      #endif 
+      #endif
       interact = edge_against_edge(i, j, itype, jtype, x, contact_list,
                                    num_contacts, evdwl, facc);
 
@@ -478,7 +478,7 @@ void PairBodyRoundedPolyhedron::init_style()
       if (dnum[i] == 0) body2space(i);
       eradi = enclosing_radius[i];
       if (eradi > merad[itype]) merad[itype] = eradi;
-    } else 
+    } else
       merad[itype] = 0;
   }
 
@@ -630,7 +630,7 @@ void PairBodyRoundedPolyhedron::sphere_against_sphere(int ibody, int jbody,
     vr3 = v[ibody][2] - v[jbody][2];
 
     // normal component
-    
+
     rsqinv = 1.0/rsq;
     vnnr = vr1*delx + vr2*dely + vr3*delz;
     vn1 = delx*vnnr * rsqinv;
@@ -664,7 +664,7 @@ void PairBodyRoundedPolyhedron::sphere_against_sphere(int ibody, int jbody,
   f[ibody][0] += fx;
   f[ibody][1] += fy;
   f[ibody][2] += fz;
-  
+
   if (newton_pair || jbody < nlocal) {
     f[jbody][0] -= fx;
     f[jbody][1] -= fy;
@@ -797,7 +797,7 @@ void PairBodyRoundedPolyhedron::sphere_against_edge(int ibody, int jbody,
       fn[1] = -c_n * vn2;
       fn[2] = -c_n * vn3;
 
-      // tangential friction term at contact, 
+      // tangential friction term at contact,
       // excluding the tangential deformation term
 
       ft[0] = -c_t * vt1;
@@ -873,7 +873,7 @@ void PairBodyRoundedPolyhedron::sphere_against_face(int ibody, int jbody,
     xi3[2] = x[ibody][2] + discrete[ifirst+npi3][2];
 
     // find the normal unit vector of the face
-  
+
     MathExtra::sub3(xi2, xi1, ui);
     MathExtra::sub3(xi3, xi1, vi);
     MathExtra::cross3(ui, vi, n);
@@ -1076,7 +1076,7 @@ int PairBodyRoundedPolyhedron::edge_against_face(int ibody, int jbody,
                                           itype, jtype, cut_inner,
                                           contact_list, num_contacts,
                                           energy, facc);
-    } 
+    }
 
   } // end for looping through the edges of body i
 
@@ -1171,7 +1171,7 @@ int PairBodyRoundedPolyhedron::interaction_edge_to_edge(int ibody,
   printf("  edge npi1 = %d (%f %f %f); npi2 = %d (%f %f %f) vs."
          "  edge npj1 = %d (%f %f %f); npj2 = %d (%f %f %f): "
          "t1 = %f; t2 = %f; r = %f; dot = %f\n",
-    npi1, xi1[0], xi1[1], xi1[2], npi2, xi2[0], xi2[1], xi2[2], 
+    npi1, xi1[0], xi1[1], xi1[2], npi2, xi2[0], xi2[1], xi2[2],
     npj1, xpj1[0], xpj1[1], xpj1[2], npj2, xpj2[0], xpj2[1], xpj2[2],
     t1, t2, r, dot);
   #endif
@@ -1276,7 +1276,7 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
   xi3[2] = xmi[2] + discrete[ifirst+npi3][2];
 
   // find the normal unit vector of the face, ensure it point outward of the body
-  
+
   MathExtra::sub3(xi2, xi1, ui);
   MathExtra::sub3(xi3, xi1, vi);
   MathExtra::cross3(ui, vi, n);
@@ -1305,7 +1305,7 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
   xpj2[1] = xmj[1] + discrete[jfirst+npj2][1];
   xpj2[2] = xmj[2] + discrete[jfirst+npj2][2];
 
-  // no interaction if two ends of the edge 
+  // no interaction if two ends of the edge
   // are on the same side with the COM wrt the face
 
   if (opposite_sides(n, xi1, xmi, xpj1) == 0 &&
@@ -1340,9 +1340,9 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
     int jflag = 1;
 
     #ifdef _POLYHEDRON_DEBUG
-    if (interact == EF_SAME_SIDE_OF_FACE) 
+    if (interact == EF_SAME_SIDE_OF_FACE)
       printf(" - same side of face\n");
-    else if (interact == EF_PARALLEL) 
+    else if (interact == EF_PARALLEL)
       printf(" - parallel\n");
     printf("     face: xi1 (%f %f %f) xi2 (%f %f %f) xi3 (%f %f %f)\n",
       xi1[0], xi1[1], xi1[2], xi2[0], xi2[1], xi2[2], xi3[0], xi3[1], xi3[2]);
@@ -1387,9 +1387,9 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
       } else {
         num_outside++;
       }
-    } 
+    }
 
-    // xpj2 is in the interaction zone 
+    // xpj2 is in the interaction zone
     // and its projection on the face is inside the triangle
     // compute vertex-face interaction and accumulate force/torque to both bodies
 
@@ -1401,7 +1401,7 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
                                 jflag, energy, facc);
           #ifdef _POLYHEDRON_DEBUG
           printf(" - compute pair force between vertex %d from edge %d of body %d "
-                 "with face %d of body %d: d2 = %f\n", 
+                 "with face %d of body %d: d2 = %f\n",
                  npj2, edge_index, jbody, face_index, ibody, d2);
           #endif
 
@@ -1448,7 +1448,7 @@ int PairBodyRoundedPolyhedron::interaction_face_to_edge(int ibody,
     // compute interaction between the edge with the three edges of the face
 
     #ifdef _POLYHEDRON_DEBUG
-    printf(" - intersect outside triangle\n"); 
+    printf(" - intersect outside triangle\n");
     printf(" - compute pair force between edge %d of body %d "
            "with face %d of body %d\n", edge_index, jbody, face_index, ibody);
     printf("     face: xi1 (%f %f %f) xi2 (%f %f %f) xi3 (%f %f %f)\n",
@@ -1693,7 +1693,7 @@ void PairBodyRoundedPolyhedron::rescale_cohesive_forces(double** x,
     xc[0] /= (double)num_unique_contacts;
     xc[1] /= (double)num_unique_contacts;
     xc[2] /= (double)num_unique_contacts;
-    
+
     contact_area = 0.0;
     for (int m = 0; m < num_contacts; m++) {
       if (contact_list[m].unique == 0) continue;
@@ -1847,12 +1847,12 @@ int PairBodyRoundedPolyhedron::edge_face_intersect(double* x1, double* x2,
   if (t < 0 || t > 1) {
     interact = EF_SAME_SIDE_OF_FACE;
   } else {
-    if (inside == 1) 
+    if (inside == 1)
       interact = EF_INTERSECT_INSIDE;
     else
       interact = EF_INTERSECT_OUTSIDE;
   }
-  
+
   return interact;
 }
 
@@ -1998,7 +1998,7 @@ void PairBodyRoundedPolyhedron::project_pt_plane(const double* q,
   q_proj[2] = q[2] + n[2] * t;
 
   // check if the projection point is inside the triangle
-  // exclude the edges and vertices 
+  // exclude the edges and vertices
   // edge-sphere and sphere-sphere interactions are handled separately
 
   inside = 0;
@@ -2022,7 +2022,7 @@ void PairBodyRoundedPolyhedron::project_pt_line(const double* q,
   MathExtra::sub3(xi2, xi1, u);
   MathExtra::norm3(u);
   MathExtra::sub3(q, xi1, v);
-  
+
   s = MathExtra::dot3(u, v);
   h[0] = xi1[0] + s * u[0];
   h[1] = xi1[1] + s * u[1];
@@ -2039,13 +2039,13 @@ void PairBodyRoundedPolyhedron::project_pt_line(const double* q,
     t = (h[2] - xi1[2])/(xi2[2] - xi1[2]);
 }
 
-/* ---------------------------------------------------------------------- 
+/* ----------------------------------------------------------------------
   compute the shortest distance between two edges (line segments)
   x1, x2: two endpoints of the first edge
   x3, x4: two endpoints of the second edge
-  h1: the end point of the shortest segment perpendicular to both edges 
+  h1: the end point of the shortest segment perpendicular to both edges
       on the line (x1;x2)
-  h2: the end point of the shortest segment perpendicular to both edges 
+  h2: the end point of the shortest segment perpendicular to both edges
       on the line (x3;x4)
   t1: fraction of h1 in the segment (x1,x2)
   t2: fraction of h2 in the segment (x3,x4)
@@ -2080,7 +2080,7 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
     double s1,s2,x13[3],x23[3],x13h[3];
     double t13,t23,t31,t41,x31[3],x41[3];
     t13=t23=t31=t41=0.0;
-    
+
     MathExtra::sub3(x1,x3,x13); // x13 = x1 - x3
     MathExtra::sub3(x2,x3,x23); // x23 = x2 - x3
 
@@ -2089,7 +2089,7 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
     x13h[1] = x13[1] - s1*v[1];
     x13h[2] = x13[2] - s1*v[2];
     r = MathExtra::len3(x13h);
-    
+
     // x13 is the projection of x1 on x3-x4
 
     x13[0] = x3[0] + s1*v[0];
@@ -2102,7 +2102,7 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
     x23[0] = x3[0] + s2*v[0];
     x23[1] = x3[1] + s2*v[1];
     x23[2] = x3[2] + s2*v[2];
-    
+
     // find the fraction of the projection points on the edges
 
     if (fabs(x4[0] - x3[0]) > 0)
@@ -2177,8 +2177,8 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
         h1[0] = (x1[0]+x2[0])/2;
         h1[1] = (x1[1]+x2[1])/2;
         h1[2] = (x1[2]+x2[2])/2;
-        h2[0] = (x13[0]+x23[0])/2; 
-        h2[1] = (x13[1]+x23[1])/2; 
+        h2[0] = (x13[0]+x23[0])/2;
+        h2[1] = (x13[1]+x23[1])/2;
         h2[2] = (x13[2]+x23[2])/2;
         t1 = 0.5;
         t2 = (t13+t23)/2;
@@ -2216,8 +2216,8 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
           h1[0] = (x31[0]+x41[0])/2;
           h1[1] = (x31[1]+x41[1])/2;
           h1[2] = (x31[2]+x41[2])/2;
-          h2[0] = (x3[0]+x4[0])/2; 
-          h2[1] = (x3[1]+x4[1])/2; 
+          h2[0] = (x3[0]+x4[0])/2;
+          h2[1] = (x3[1]+x4[1])/2;
           h2[2] = (x3[2]+x4[2])/2;
           t1 = (t31+t41)/2;
           t2 = 0.5;
@@ -2225,7 +2225,7 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
           n2++;
         }
       }
-    }   
+    }
 
     // if n1 == 0 and n2 == 0 at this point,
     // which means no overlapping segments bt two parallel edges,
@@ -2233,10 +2233,10 @@ void PairBodyRoundedPolyhedron::distance_bt_edges(const double* x1,
 
     return;
 
-  } 
+  }
 
   // find the vector n perpendicular to both edges
- 
+
   MathExtra::cross3(u, v, n);
   MathExtra::norm3(n);
 
@@ -2326,7 +2326,7 @@ double PairBodyRoundedPolyhedron::contact_separation(const Contact& c1,
    find the number of unique contacts
 ------------------------------------------------------------------------- */
 
-void PairBodyRoundedPolyhedron::find_unique_contacts(Contact* contact_list, 
+void PairBodyRoundedPolyhedron::find_unique_contacts(Contact* contact_list,
                                                      int& num_contacts)
 {
   int n = num_contacts;
diff --git a/src/BODY/pair_body_rounded_polyhedron.h b/src/BODY/pair_body_rounded_polyhedron.h
index 71c04ff966..369f394c50 100644
--- a/src/BODY/pair_body_rounded_polyhedron.h
+++ b/src/BODY/pair_body_rounded_polyhedron.h
@@ -155,13 +155,13 @@ class PairBodyRoundedPolyhedron : public Pair {
                           int& inside_a, int& inside_b);
   // helper functions
   int opposite_sides(double* n, double* x0, double* a, double* b);
-  void project_pt_plane(const double* q, const double* p, 
+  void project_pt_plane(const double* q, const double* p,
                         const double* n, double* q_proj, double &d);
-  void project_pt_plane(const double* q, const double* x1, const double* x2, 
+  void project_pt_plane(const double* q, const double* x1, const double* x2,
                         const double* x3, double* q_proj, double &d, int& inside);
   void project_pt_line(const double* q, const double* xi1, const double* xi2,
                           double* h, double& d, double& t);
-  void inside_polygon(int ibody, int face_index, double* xmi, 
+  void inside_polygon(int ibody, int face_index, double* xmi,
                      const double* q1, const double* q2, int& inside1, int& inside2);
 
   void distance_bt_edges(const double* x1, const double* x2,
diff --git a/src/KOKKOS/atom_vec_sphere_kokkos.cpp b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
index 3dfbc5efdc..f05e8d09df 100644
--- a/src/KOKKOS/atom_vec_sphere_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
@@ -792,7 +792,7 @@ int AtomVecSphereKokkos::pack_comm_self(
   const int &n, const DAT::tdual_int_2d &list, const int &iswap,
   const int nfirst, const int &pbc_flag, const int* const pbc) {
   // Fallback to AtomVecKokkos if radvary == 0
-  if (radvary == 0) 
+  if (radvary == 0)
     return AtomVecKokkos::pack_comm_self(n,list,iswap,nfirst,pbc_flag,pbc);
   if(commKK->forward_comm_on_host) {
     sync(Host,X_MASK|RADIUS_MASK|RMASS_MASK);
@@ -1462,7 +1462,7 @@ struct AtomVecSphereKokkos_PackBorder {
     const int maxsend = (buf.extent(0)*buf.extent(1))/elements;
     _buf = typename ArrayTypes<DeviceType>::t_xfloat_2d_um(buf.data(),maxsend,elements);
   }
-  
+
   KOKKOS_INLINE_FUNCTION
   void operator() (const int& i) const {
     const int j = _list(_iswap,i);
diff --git a/src/KOKKOS/comm_kokkos.cpp b/src/KOKKOS/comm_kokkos.cpp
index f40156aabc..1d31c07180 100644
--- a/src/KOKKOS/comm_kokkos.cpp
+++ b/src/KOKKOS/comm_kokkos.cpp
@@ -210,7 +210,7 @@ void CommKokkos::forward_comm_device(int dummy)
                            space,X_MASK);
         }
       } else if (ghost_velocity) {
-        if (size_forward_recv[iswap]) { 
+        if (size_forward_recv[iswap]) {
           MPI_Irecv(k_buf_recv.view<DeviceType>().data(),
                     size_forward_recv[iswap],MPI_DOUBLE,
                     recvproc[iswap],0,world,&request);
diff --git a/src/KOKKOS/fix_freeze_kokkos.cpp b/src/KOKKOS/fix_freeze_kokkos.cpp
index b87ec86f8f..ccf7c7ff85 100644
--- a/src/KOKKOS/fix_freeze_kokkos.cpp
+++ b/src/KOKKOS/fix_freeze_kokkos.cpp
@@ -75,7 +75,7 @@ void FixFreezeKokkos<DeviceType>::post_force(int vflag)
   OriginalForce original;
   Kokkos::parallel_reduce(nlocal, *this, original);
   copymode = 0;
-  
+
   foriginal[0] = original.values[0];
   foriginal[1] = original.values[1];
   foriginal[2] = original.values[2];
diff --git a/src/KOKKOS/fix_freeze_kokkos.h b/src/KOKKOS/fix_freeze_kokkos.h
index 193e011995..3b5bc8e437 100644
--- a/src/KOKKOS/fix_freeze_kokkos.h
+++ b/src/KOKKOS/fix_freeze_kokkos.h
@@ -26,7 +26,7 @@ FixStyle(freeze/kk/host,FixFreezeKokkos<LMPHostType>)
 #include "kokkos_type.h"
 
 namespace LAMMPS_NS {
-  
+
 template<class DeviceType>
 class FixFreezeKokkos : public FixFreeze {
  public:
@@ -66,7 +66,7 @@ class FixFreezeKokkos : public FixFreeze {
 
   KOKKOS_INLINE_FUNCTION
   void operator()(const int i, OriginalForce &original) const;
-  
+
  private:
   typename ArrayTypes<DeviceType>::t_f_array f;
   typename ArrayTypes<DeviceType>::t_f_array torque;
diff --git a/src/KOKKOS/fix_gravity_kokkos.h b/src/KOKKOS/fix_gravity_kokkos.h
index cc487a0e2d..9aa9ef803f 100644
--- a/src/KOKKOS/fix_gravity_kokkos.h
+++ b/src/KOKKOS/fix_gravity_kokkos.h
@@ -50,7 +50,7 @@ class FixGravityKokkos : public FixGravity {
     typename ArrayTypes<DeviceType>::t_int_1d type;
     typename ArrayTypes<DeviceType>::t_int_1d mask;
 };
-  
+
 } // namespace LAMMPS_NS
 
 #endif // LMP_FIX_GRAVITY_KOKKOS_H
diff --git a/src/KOKKOS/fix_neigh_history_kokkos.cpp b/src/KOKKOS/fix_neigh_history_kokkos.cpp
index d481c20818..ea0bd138f4 100644
--- a/src/KOKKOS/fix_neigh_history_kokkos.cpp
+++ b/src/KOKKOS/fix_neigh_history_kokkos.cpp
@@ -77,7 +77,7 @@ template <class DeviceType>
 void FixNeighHistoryKokkos<DeviceType>::pre_exchange()
 {
   copymode = 1;
-  
+
   h_resize() = 1;
   while (h_resize() > 0) {
     FixNeighHistoryKokkosZeroPartnerCountFunctor<DeviceType> zero(this);
@@ -156,7 +156,7 @@ template <class DeviceType>
 void FixNeighHistoryKokkos<DeviceType>::post_neighbor()
 {
   tag = atomKK->k_tag.view<DeviceType>();
-  
+
   int inum = pair->list->inum;
   NeighListKokkos<DeviceType>* k_list = static_cast<NeighListKokkos<DeviceType>*>(pair->list);
   d_numneigh = k_list->d_numneigh;
@@ -179,7 +179,7 @@ void FixNeighHistoryKokkos<DeviceType>::post_neighbor()
   }
 
   copymode = 1;
-  
+
   FixNeighHistoryKokkosPostNeighborFunctor<DeviceType> f(this);
   Kokkos::parallel_for(inum,f);
 
@@ -251,7 +251,7 @@ void FixNeighHistoryKokkos<DeviceType>::grow_arrays(int nmax)
   k_npartner.template sync<LMPHostType>(); // force reallocation on host
   k_partner.template sync<LMPHostType>();
   k_valuepartner.template sync<LMPHostType>();
-  
+
   memoryKK->grow_kokkos(k_npartner,npartner,nmax,"neighbor_history:npartner");
   memoryKK->grow_kokkos(k_partner,partner,nmax,maxpartner,"neighbor_history:partner");
   memoryKK->grow_kokkos(k_valuepartner,valuepartner,nmax,dnum*maxpartner,"neighbor_history:valuepartner");
diff --git a/src/KOKKOS/fix_neigh_history_kokkos.h b/src/KOKKOS/fix_neigh_history_kokkos.h
index d5bb1c3971..ba594a567f 100644
--- a/src/KOKKOS/fix_neigh_history_kokkos.h
+++ b/src/KOKKOS/fix_neigh_history_kokkos.h
@@ -61,11 +61,11 @@ class FixNeighHistoryKokkos : public FixNeighHistory {
   typename ArrayTypes<DeviceType>::t_neighbors_2d d_neighbors;
   typename ArrayTypes<DeviceType>::t_int_1d_randomread d_ilist;
   typename ArrayTypes<DeviceType>::t_int_1d_randomread d_numneigh;
-  
+
   typename ArrayTypes<DeviceType>::t_tagint_1d tag;
   typename ArrayTypes<DeviceType>::t_int_1d d_npartner;
   typename ArrayTypes<DeviceType>::t_tagint_2d d_partner;
-  typename ArrayTypes<DeviceType>::t_float_2d d_valuepartner; 
+  typename ArrayTypes<DeviceType>::t_float_2d d_valuepartner;
 
   typename ArrayTypes<DeviceType>::t_int_scalar d_resize;
   typename ArrayTypes<LMPHostType>::t_int_scalar h_resize;
diff --git a/src/KOKKOS/fix_nve_sphere_kokkos.cpp b/src/KOKKOS/fix_nve_sphere_kokkos.cpp
index d636f56b20..9c408d0630 100644
--- a/src/KOKKOS/fix_nve_sphere_kokkos.cpp
+++ b/src/KOKKOS/fix_nve_sphere_kokkos.cpp
@@ -75,7 +75,7 @@ void FixNVESphereKokkos<DeviceType>::initial_integrate(int vflag)
   int nlocal = atom->nlocal;
   if (igroup == atom->firstgroup) nlocal = atom->nfirst;
 
-  FixNVESphereKokkosInitialIntegrateFunctor<DeviceType> f(this); 
+  FixNVESphereKokkosInitialIntegrateFunctor<DeviceType> f(this);
   Kokkos::parallel_for(nlocal,f);
 }
 
@@ -95,7 +95,7 @@ void FixNVESphereKokkos<DeviceType>::initial_integrate_item(const int i) const
     x(i,0) += dtv * v(i,0);
     x(i,1) += dtv * v(i,1);
     x(i,2) += dtv * v(i,2);
-      
+
     const double dtirotate = dtfrotate / (radius(i)*radius(i)*rmass(i));
     omega(i,0) += dtirotate * torque(i,0);
     omega(i,1) += dtirotate * torque(i,1);
@@ -139,7 +139,7 @@ void FixNVESphereKokkos<DeviceType>::final_integrate_item(const int i) const
     v(i,0) += dtfm * f(i,0);
     v(i,1) += dtfm * f(i,1);
     v(i,2) += dtfm * f(i,2);
-      
+
     const double dtirotate = dtfrotate / (radius(i)*radius(i)*rmass(i));
     omega(i,0) += dtirotate * torque(i,0);
     omega(i,1) += dtirotate * torque(i,1);
diff --git a/src/KOKKOS/fix_nve_sphere_kokkos.h b/src/KOKKOS/fix_nve_sphere_kokkos.h
index 382e530319..87a1835eb7 100644
--- a/src/KOKKOS/fix_nve_sphere_kokkos.h
+++ b/src/KOKKOS/fix_nve_sphere_kokkos.h
@@ -26,7 +26,7 @@ FixStyle(nve/sphere/kk/host,FixNVESphereKokkos<LMPHostType>)
 #include "kokkos_type.h"
 
 namespace LAMMPS_NS {
-  
+
 template<class DeviceType>
 class FixNVESphereKokkos : public FixNVESphere {
   public:
@@ -36,7 +36,7 @@ class FixNVESphereKokkos : public FixNVESphere {
     void init();
     void initial_integrate(int);
     void final_integrate();
-  
+
     KOKKOS_INLINE_FUNCTION
     void initial_integrate_item(const int i) const;
     KOKKOS_INLINE_FUNCTION
diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h
index e1e17a425a..cd429d5c1c 100644
--- a/src/KOKKOS/kokkos.h
+++ b/src/KOKKOS/kokkos.h
@@ -46,10 +46,10 @@ class KokkosLMP : protected Pointers {
   int need_dup()
   {
     int value = 0;
-  
+
     if (neighflag == HALFTHREAD)
       value = NeedDup<HALFTHREAD,DeviceType>::value;
-  
+
     return value;
   }
 
diff --git a/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp b/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
index cd8beed583..09e6c709a4 100644
--- a/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
+++ b/src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
@@ -331,7 +331,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::operator()(TagPairGranHookeHistoryC
   const LMP_FLOAT imass = rmass[i];
   const LMP_FLOAT irad = radius[i];
   const int jnum = d_numneigh_touch[i];
-  
+
   F_FLOAT fx_i = 0.0;
   F_FLOAT fy_i = 0.0;
   F_FLOAT fz_i = 0.0;
@@ -343,7 +343,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::operator()(TagPairGranHookeHistoryC
   for (int jj = 0; jj < jnum; jj++) {
     const int m = d_neighbors_touch(i, jj);
     const int j = d_neighbors(i, m) & NEIGHMASK;
-    
+
     const X_FLOAT delx = xtmp - x(j,0);
     const X_FLOAT dely = ytmp - x(j,1);
     const X_FLOAT delz = ztmp - x(j,2);
@@ -363,16 +363,16 @@ void PairGranHookeHistoryKokkos<DeviceType>::operator()(TagPairGranHookeHistoryC
     V_FLOAT vr1 = v(i,0) - v(j,0);
     V_FLOAT vr2 = v(i,1) - v(j,1);
     V_FLOAT vr3 = v(i,2) - v(j,2);
-      
+
     // normal component
 
     V_FLOAT vnnr = vr1*delx + vr2*dely + vr3*delz;
     V_FLOAT vn1 = delx*vnnr * rsqinv;
     V_FLOAT vn2 = dely*vnnr * rsqinv;
     V_FLOAT vn3 = delz*vnnr * rsqinv;
-      
+
     // tangential component
-      
+
     V_FLOAT vt1 = vr1 - vn1;
     V_FLOAT vt2 = vr2 - vn2;
     V_FLOAT vt3 = vr3 - vn3;
@@ -467,7 +467,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::operator()(TagPairGranHookeHistoryC
     torquex_i -= irad*tor1;
     torquey_i -= irad*tor2;
     torquez_i -= irad*tor3;
-      
+
     if (NEWTON_PAIR || j < nlocal) {
       a_f(j,0) -= fx;
       a_f(j,1) -= fy;
@@ -550,7 +550,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::ev_tally_xyz_atom(EV_FLOAT &ev, int
 							       F_FLOAT fx, F_FLOAT fy, F_FLOAT fz,
 							       X_FLOAT delx, X_FLOAT dely, X_FLOAT delz) const
 {
-  Kokkos::View<F_FLOAT*[6], typename DAT::t_virial_array::array_layout,DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom = k_vatom.view<DeviceType>();  
+  Kokkos::View<F_FLOAT*[6], typename DAT::t_virial_array::array_layout,DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_vatom = k_vatom.view<DeviceType>();
 
   F_FLOAT v[6];
 
diff --git a/src/KOKKOS/pair_gran_hooke_history_kokkos.h b/src/KOKKOS/pair_gran_hooke_history_kokkos.h
index 822b9203a4..8d1778e091 100644
--- a/src/KOKKOS/pair_gran_hooke_history_kokkos.h
+++ b/src/KOKKOS/pair_gran_hooke_history_kokkos.h
@@ -30,7 +30,7 @@ namespace LAMMPS_NS {
 
 template <class DeviceType>
 class FixNeighHistoryKokkos;
-  
+
 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int SHEARUPDATE>
 struct TagPairGranHookeHistoryCompute {};
 
@@ -68,7 +68,7 @@ class PairGranHookeHistoryKokkos : public PairGranHookeHistory {
   void ev_tally_xyz_atom(EV_FLOAT &ev, int i, int j,
 			 F_FLOAT fx, F_FLOAT fy, F_FLOAT fz,
 			 X_FLOAT delx, X_FLOAT dely, X_FLOAT delz) const;
-    
+
  protected:
   typename AT::t_x_array_randomread x;
   typename AT::t_x_array c_x;
@@ -96,7 +96,7 @@ class PairGranHookeHistoryKokkos : public PairGranHookeHistory {
 
   typename AT::t_neighbors_2d d_neighbors_touch;
   typename AT::t_int_1d d_numneigh_touch;
-  
+
   int newton_pair;
   double special_lj[4];
 
diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp
index 46ecddfd83..fc4298bf6d 100644
--- a/src/KOKKOS/pair_reaxc_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxc_kokkos.cpp
@@ -854,7 +854,7 @@ void PairReaxCKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
     //dup_Cdbo    = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterDuplicated>(d_Cdbo);
     //dup_Cdbopi  = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterDuplicated>(d_Cdbopi);
     //dup_Cdbopi2 = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterDuplicated>(d_Cdbopi2);
-  } else { 
+  } else {
     ndup_CdDelta = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonDuplicated>(d_CdDelta);
     //ndup_Cdbo    = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonDuplicated>(d_Cdbo);
     //ndup_Cdbopi  = Kokkos::Experimental::create_scatter_view<Kokkos::Experimental::ScatterSum, Kokkos::Experimental::ScatterNonDuplicated>(d_Cdbopi);
diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index a24e3e123d..283c672bad 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -72,7 +72,7 @@ void Ewald::settings(int narg, char **arg)
   if (narg != 1) error->all(FLERR,"Illegal kspace_style ewald command");
 
   accuracy_relative = fabs(force->numeric(FLERR,arg[0]));
-}  
+}
 
 /* ----------------------------------------------------------------------
    free all memory
diff --git a/src/LATTE/fix_latte.cpp b/src/LATTE/fix_latte.cpp
index a89be57bed..d1a96d32c6 100644
--- a/src/LATTE/fix_latte.cpp
+++ b/src/LATTE/fix_latte.cpp
@@ -299,7 +299,7 @@ void FixLatte::post_force(int vflag)
   if (coulomb) forces = &flatte[0][0];
   else forces = &atom->f[0][0];
   int maxiter = -1;
-  
+
   latte(flags,&natoms,coords,type,&ntypes,mass,boxlo,boxhi,&domain->xy,
         &domain->xz,&domain->yz,forces,&maxiter,&latte_energy,
         &atom->v[0][0],&update->dt,virial,&newsystem,&latteerror);
diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp
index a6e52faeba..e3be72443e 100644
--- a/src/MANYBODY/pair_atm.cpp
+++ b/src/MANYBODY/pair_atm.cpp
@@ -272,7 +272,7 @@ double PairATM::init_one(int i, int j)
 
   int ntypes = atom->ntypes;
   for (int k = j; k <= ntypes; k++)
-    nu[i][k][j] = nu[j][i][k] = nu[j][k][i] = nu[k][i][j] = nu[k][j][i] = 
+    nu[i][k][j] = nu[j][i][k] = nu[j][k][i] = nu[k][i][j] = nu[k][j][i] =
       nu[i][j][k];
 
   return cut_global;
@@ -290,8 +290,8 @@ void PairATM::write_restart(FILE *fp)
   for (i = 1; i <= atom->ntypes; i++) {
     for (j = i; j <= atom->ntypes; j++) {
       fwrite(&setflag[i][j],sizeof(int),1,fp);
-      if (setflag[i][j]) 
-        for (k = j; k <= atom->ntypes; k++) 
+      if (setflag[i][j])
+        for (k = j; k <= atom->ntypes; k++)
           fwrite(&nu[i][j][k],sizeof(double),1,fp);
     }
   }
@@ -361,12 +361,12 @@ void PairATM::interaction_ddd(double nu, double r6,
   rrk = rjk[0]*rik[0] + rjk[1]*rik[1] + rjk[2]*rik[2];
   rrr = 5.0*rri*rrj*rrk;
   for (int i = 0; i < 3; i++) {
-    fj[i] = rrj*(rrk - rri)*rik[i] - 
-      (rrk*rri - rjk2*rik2 + rrr/rij2) * rij[i] + 
+    fj[i] = rrj*(rrk - rri)*rik[i] -
+      (rrk*rri - rjk2*rik2 + rrr/rij2) * rij[i] +
       (rrk*rri - rik2*rij2 + rrr/rjk2) * rjk[i];
     fj[i] *= 3.0*r5inv;
-    fk[i] = rrk*(rri + rrj)*rij[i] + 
-      (rri*rrj + rik2*rij2 - rrr/rjk2) * rjk[i] + 
+    fk[i] = rrk*(rri + rrj)*rij[i] +
+      (rri*rrj + rik2*rij2 - rrr/rjk2) * rjk[i] +
       (rri*rrj + rij2*rjk2 - rrr/rik2) * rik[i];
     fk[i] *= 3.0*r5inv;
   }
diff --git a/src/MANYBODY/pair_atm.h b/src/MANYBODY/pair_atm.h
index 70883a81c7..8a9d38ec3b 100644
--- a/src/MANYBODY/pair_atm.h
+++ b/src/MANYBODY/pair_atm.h
@@ -43,7 +43,7 @@ class PairATM : public Pair {
   double ***nu;
 
   void allocate();
-  void interaction_ddd(double, double, double, double, double, double *, 
+  void interaction_ddd(double, double, double, double, double, double *,
                        double *, double *, double *, double *, int, double &);
 };
 
diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp
index f2d3b67eb0..7649090a99 100644
--- a/src/MANYBODY/pair_gw.cpp
+++ b/src/MANYBODY/pair_gw.cpp
@@ -521,7 +521,7 @@ void PairGW::setup_params()
         for (m = 0; m < nparams; m++) {
           if (i == params[m].ielement && j == params[m].jelement &&
               k == params[m].kelement) {
-            if (n >= 0) 
+            if (n >= 0)
               error->all(FLERR,"Potential file has duplicate entry");
             n = m;
           }
diff --git a/src/MESSAGE/fix_client_md.cpp b/src/MESSAGE/fix_client_md.cpp
index aca5cd41f9..9c1bfcc796 100644
--- a/src/MESSAGE/fix_client_md.cpp
+++ b/src/MESSAGE/fix_client_md.cpp
@@ -40,11 +40,11 @@ enum{FORCES=1,ENERGY,PRESSURE,ERROR};
 FixClientMD::FixClientMD(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg)
 {
-  if (lmp->clientserver != 1) 
+  if (lmp->clientserver != 1)
     error->all(FLERR,"Fix client/md requires LAMMPS be running as a client");
   if (!atom->map_style) error->all(FLERR,"Fix client/md requires atom map");
 
-  if (sizeof(tagint) != 4) 
+  if (sizeof(tagint) != 4)
     error->all(FLERR,"Fix client/md requires 4-byte atom IDs");
 
   if (strcmp(update->unit_style,"real") == 0) units = REAL;
@@ -306,7 +306,7 @@ void FixClientMD::receive_fev(int vflag)
   }
 
   eng = econvert * cs->unpack_double(ENERGY);
-  
+
   if (vflag) {
     double *v = (double *) cs->unpack(PRESSURE);
 
diff --git a/src/MESSAGE/message.cpp b/src/MESSAGE/message.cpp
index 329ce1fbd9..e9bff7d38a 100644
--- a/src/MESSAGE/message.cpp
+++ b/src/MESSAGE/message.cpp
@@ -51,13 +51,13 @@ void Message::command(int narg, char **arg)
       strcmp(arg[2],"mpi/two") == 0) {
     if (narg != 4) error->all(FLERR,"Illegal message command");
     lmp->cslib = new CSlib(clientserver-1,arg[2],arg[3],&world);
-  
+
   } else if (strcmp(arg[2],"mpi/one") == 0) {
     if (narg != 3) error->all(FLERR,"Illegal message command");
-    if (!lmp->cscomm) 
+    if (!lmp->cscomm)
       error->all(FLERR,"Message mpi/one mode, but -mpi cmdline arg not used");
     lmp->cslib = new CSlib(clientserver-1,arg[2],&lmp->cscomm,&world);
-  
+
   } else error->all(FLERR,"Illegal message command");
 
   // perform initial handshake between client and server
@@ -75,16 +75,16 @@ void Message::command(int narg, char **arg)
     int *fieldID,*fieldtype,*fieldlen;
     int msgID = cs->recv(nfield,fieldID,fieldtype,fieldlen);
     if (msgID != 0) error->one(FLERR,"Bad initial client/server handshake");
-    
+
   } else {
     int nfield;
     int *fieldID,*fieldtype,*fieldlen;
     int msgID = cs->recv(nfield,fieldID,fieldtype,fieldlen);
     if (msgID != 0) error->one(FLERR,"Bad initial client/server handshake");
     char *pstr = cs->unpack_string(1);
-    if (strcmp(pstr,arg[1]) != 0) 
+    if (strcmp(pstr,arg[1]) != 0)
       error->one(FLERR,"Mismatch in client/server protocol");
-    
+
     cs->send(0,0);
   }
 }
diff --git a/src/MESSAGE/server_mc.cpp b/src/MESSAGE/server_mc.cpp
index 8a7344e86b..8e9a297912 100644
--- a/src/MESSAGE/server_mc.cpp
+++ b/src/MESSAGE/server_mc.cpp
@@ -128,7 +128,7 @@ void ServerMC::loop()
       update->nsteps = nsteps;
       update->firststep = update->ntimestep;
       update->laststep = update->ntimestep + nsteps;
-      
+
       update->integrate->setup(1);
       update->integrate->run(nsteps);
 
diff --git a/src/MESSAGE/server_md.cpp b/src/MESSAGE/server_md.cpp
index aa771b7d46..8debd3a987 100644
--- a/src/MESSAGE/server_md.cpp
+++ b/src/MESSAGE/server_md.cpp
@@ -100,7 +100,7 @@ void ServerMD::loop()
     if (msgID < 0) break;
 
     // SETUP receive at beginning of each run
-    // required fields: DIM, PERIODICTY, ORIGIN, BOX, 
+    // required fields: DIM, PERIODICTY, ORIGIN, BOX,
     //                  NATOMS, NTYPES, TYPES, COORDS
     // optional fields: others in enum above
 
@@ -152,7 +152,7 @@ void ServerMD::loop()
         } else error->all(FLERR,"Server md setup field unknown");
       }
 
-      if (dim == 0 || !periodicity || !origin || !box || 
+      if (dim == 0 || !periodicity || !origin || !box ||
           natoms < 0 || ntypes < 0 || !types || !coords)
         error->all(FLERR,"Required server md setup field not received");
 
@@ -164,8 +164,8 @@ void ServerMD::loop()
 
       // reset box, global and local
       // reset proc decomposition
- 
-      if ((box[3] != 0.0 || box[6] != 0.0 || box[7] != 0.0) && 
+
+      if ((box[3] != 0.0 || box[6] != 0.0 || box[7] != 0.0) &&
           domain->triclinic == 0)
         error->all(FLERR,"Server md is not initialized for a triclinic box");
 
@@ -194,7 +194,7 @@ void ServerMD::loop()
 
       int ntotal;
       MPI_Allreduce(&atom->nlocal,&ntotal,1,MPI_INT,MPI_SUM,world);
-      if (ntotal != natoms) 
+      if (ntotal != natoms)
         error->all(FLERR,"Server md atom count does not match client");
 
       atom->map_init();
@@ -247,7 +247,7 @@ void ServerMD::loop()
       // reset global/local box like FixDeform at end_of_step()
 
       if (origin && box) {
-        if ((box[3] != 0.0 || box[6] != 0.0 || box[7] != 0.0) && 
+        if ((box[3] != 0.0 || box[6] != 0.0 || box[7] != 0.0) &&
             domain->triclinic == 0)
           error->all(FLERR,"Server md is not initialized for a triclinic box");
         box_change(origin,box);
@@ -348,7 +348,7 @@ void ServerMD::send_fev(int msgID)
   CSlib *cs = (CSlib *) lmp->cslib;
 
   cs->send(msgID,3);
-  
+
   double *forces = NULL;
   if (atom->nlocal) {
     if (units != REAL) forces = &atom->f[0][0];
@@ -370,7 +370,7 @@ void ServerMD::send_fev(int msgID)
   MPI_Allreduce(&eng,&engall,1,MPI_DOUBLE,MPI_SUM,world);
   engall *= econvert;
   cs->pack_double(ENERGY,engall);
-  
+
   double v[6],vall[6];
   for (int i = 0; i < 6; i++)
     v[i] = force->pair->virial[i];
diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp
index a01878bffd..41cfcede34 100644
--- a/src/POEMS/fix_poems.cpp
+++ b/src/POEMS/fix_poems.cpp
@@ -366,7 +366,7 @@ void FixPOEMS::init()
     int pflag = 0;
     for (i = 0; i < modify->nfix; i++) {
       if (strcmp(modify->fix[i]->style,"poems") == 0) pflag = 1;
-      if (pflag && (modify->fmask[i] & POST_FORCE) && 
+      if (pflag && (modify->fmask[i] & POST_FORCE) &&
           !modify->fix[i]->rigid_flag) {
         char str[128];
         snprintf(str,128,"Fix %s alters forces after fix poems",modify->fix[i]->id);
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index d119083a3b..d235b06dc0 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -44,7 +44,7 @@ using namespace FixConst;
 FixHyperGlobal::FixHyperGlobal(LAMMPS *lmp, int narg, char **arg) :
   FixHyper(lmp, narg, arg), blist(NULL), xold(NULL), tagold(NULL)
 {
-  if (atom->map_style == 0) 
+  if (atom->map_style == 0)
     error->all(FLERR,"Fix hyper/global command requires atom map");
 
   if (narg != 7) error->all(FLERR,"Illegal fix hyper/global command");
@@ -392,7 +392,7 @@ void FixHyperGlobal::grow_bond()
   maxbond += DELTA;
   if (maxbond < 0 || maxbond > MAXSMALLINT)
     error->one(FLERR,"Fix hyper/local per-processor bond count is too big");
-  blist = (OneBond *) 
+  blist = (OneBond *)
     memory->srealloc(blist,maxbond*sizeof(OneBond),"hyper/local:blist");
 }
 
@@ -429,7 +429,7 @@ double FixHyperGlobal::compute_vector(int i)
   // i = 7 = max bond length during this run
 
   // i = 8 = cummulative hyper time since fix created
-  // i = 9 = cummulative # of event timesteps since fix created 
+  // i = 9 = cummulative # of event timesteps since fix created
   // i = 10 = cummulative # of atoms in events since fix created
 
   if (i == 0) return outvec[1];
@@ -478,7 +478,7 @@ double FixHyperGlobal::query(int i)
 {
   if (i == 1) return compute_vector(8);  // cummulative hyper time
   if (i == 2) return compute_vector(9);  // nevent
-  if (i == 3) return compute_vector(10); // nevent_atom 
+  if (i == 3) return compute_vector(10); // nevent_atom
   if (i == 4) return compute_vector(4);  // ave bonds/atom
   if (i == 5) return compute_vector(6);  // maxdrift
   if (i == 6) return compute_vector(7);  // maxbondlen
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index d4fa08f261..25dd3d72af 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -54,7 +54,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
   //   local index vs global ID in same variable
   //   maybe need to declare them all tagint, not int
 
-  if (atom->map_style == 0) 
+  if (atom->map_style == 0)
     error->all(FLERR,"Fix hyper/local command requires atom map");
 
   if (sizeof(tagint) != sizeof(int))
@@ -81,7 +81,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
   alpha_user = force->numeric(FLERR,arg[8]);
   boosttarget = force->numeric(FLERR,arg[9]);
 
-  if (cutbond < 0.0 || qfactor < 0.0 || vmax < 0.0 || 
+  if (cutbond < 0.0 || qfactor < 0.0 || vmax < 0.0 ||
       tequil <= 0.0 || dcut <= 0.0 || alpha_user <= 0.0 || boosttarget < 1.0)
     error->all(FLERR,"Illegal fix hyper/local command");
 
@@ -107,7 +107,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
       histo_count = force->inumeric(FLERR,arg[iarg+2]);
       histo_delta = force->numeric(FLERR,arg[iarg+3]);
       histo_print = force->inumeric(FLERR,arg[iarg+4]);
-      if (histo_every <= 0 || histo_count % 2 || 
+      if (histo_every <= 0 || histo_count % 2 ||
           histo_delta <= 0.0 || histo_print <= 0)
         error->all(FLERR,"Illegal fix hyper/local command");
       iarg += 5;
@@ -276,16 +276,16 @@ void FixHyperLocal::init()
   // warn if no drift distance added to cutghost
 
   if (firstflag) {
-    double cutghost;            
-    if (force->pair) 
+    double cutghost;
+    if (force->pair)
       cutghost = MAX(force->pair->cutforce+neighbor->skin,comm->cutghostuser);
-    else 
+    else
       cutghost = comm->cutghostuser;
-    
-    if (cutghost < dcut) 
+
+    if (cutghost < dcut)
       error->all(FLERR,"Fix hyper/local bond cutoff exceeds ghost atom range - "
                  "use comm_modify cutoff command");
-    if (cutghost < dcut+cutbond/2.0 && me == 0) 
+    if (cutghost < dcut+cutbond/2.0 && me == 0)
       error->warning(FLERR,"Fix hyper/local ghost atom range "
                      "may not allow for atom drift between events");
   }
@@ -371,8 +371,8 @@ void FixHyperLocal::pre_neighbor()
         missing_coeff += bonds[i][m].boostcoeff;
         if (lostbond != IGNORE) {
           char str[128];
-          sprintf(str,"Fix hyper/local bond info missing for bond " 
-                  TAGINT_FORMAT "," TAGINT_FORMAT 
+          sprintf(str,"Fix hyper/local bond info missing for bond "
+                  TAGINT_FORMAT "," TAGINT_FORMAT
                   " with coeff %g at step " BIGINT_FORMAT,
                   atom->tag[i],bonds[i][m].jtag,bonds[i][m].boostcoeff,
                   update->ntimestep);
@@ -520,7 +520,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
 
     i = old2now[iold];
     emax = maxstrain[i];
-    
+
     for (jj = 0; jj < jnum; jj++) {
       jold = jlist[jj];
       j = old2now[jold];
@@ -722,13 +722,13 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
       if (me == 0) {
         if (screen) {
           fprintf(screen,"Histogram of bias coeffs:\n");
-          for (i = 0; i < histo_count+2; i++) 
+          for (i = 0; i < histo_count+2; i++)
             fprintf(screen,"  %g",1.0*allhisto[i]/total);
           fprintf(screen,"\n");
         }
         if (logfile) {
           fprintf(logfile,"Histogram of bias coeffs:\n");
-          for (i = 0; i < histo_count+2; i++) 
+          for (i = 0; i < histo_count+2; i++)
             fprintf(logfile,"  %g",1.0*allhisto[i]/total);
           fprintf(logfile,"\n");
         }
@@ -790,7 +790,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
 
   if (checkcoeff && update->ntimestep % checkcoeff_every == 0) {
     int jb,jbonds;
-    
+
     for (i = 0; i < nlocal; i++) {
       nbond = numbond[i];
       for (m = 0; m < nbond; m++) {
@@ -802,9 +802,9 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
         jbonds = numbond[j];
         for (jb = 0; jb < jbonds; jb++)
           if (bonds[j][jb].jtag == itag) break;
-        if (jb == jbonds) 
+        if (jb == jbonds)
           error->one(FLERR,"Fix hyper/local could not find duplicate bond");
-        if (bonds[i][m].boostcoeff != bonds[j][jb].boostcoeff) 
+        if (bonds[i][m].boostcoeff != bonds[j][jb].boostcoeff)
           checkcoeff_count++;
       }
     }
@@ -885,7 +885,7 @@ void FixHyperLocal::build_bond_list(int natom)
   ilist = list->ilist;
   numneigh = list->numneigh;
   firstneigh = list->firstneigh;
-  
+
   while (1) {
     bonds = (OneBond **) memory->create(bonds,nmax,maxbondperatom,
                                         "hyper/local:bonds");
@@ -941,7 +941,7 @@ void FixHyperLocal::build_bond_list(int natom)
             nbond++;
             continue;
           }
-          
+
           bonds[i][nbond].r0 = sqrt(rsq);
           bonds[i][nbond].jtag = tag[j];
           bonds[i][nbond].j = j;
@@ -998,7 +998,7 @@ void FixHyperLocal::build_bond_list(int natom)
 
 /* ---------------------------------------------------------------------- */
 
-int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf, 
+int FixHyperLocal::pack_forward_comm(int n, int *list, double *buf,
                                      int /* pbc_flag */, int * /* pbc */)
 {
   int i,j,m;
@@ -1233,7 +1233,7 @@ double FixHyperLocal::compute_vector(int i)
   // i = 9 = average bias potential for all bonds during this run
   // i = 10 = max bias potential for any bond during this run
   // i = 11 = min bias potential for any bond during this run
-  // i = 12 = max dist from my box of any ghost atom with 
+  // i = 12 = max dist from my box of any ghost atom with
   //          maxstain < qfactor during this run
   // i = 13 = max dist from my box of any ghost atom with
   //          any maxstrain during this run
@@ -1245,7 +1245,7 @@ double FixHyperLocal::compute_vector(int i)
   // i = 18 = count of non-matching bias coefficients found during this run
 
   // i = 19 = cummulative hyper time
-  // i = 20 = cummulative # of event timesteps since fix created 
+  // i = 20 = cummulative # of event timesteps since fix created
   // i = 21 = cummulative # of atoms in events since fix created
   // i = 22 = cummulative # of new bonds formed since fix created
 
@@ -1394,7 +1394,7 @@ double FixHyperLocal::query(int i)
 {
   if (i == 1) return compute_vector(19);  // cummulative hyper time
   if (i == 2) return compute_vector(20);  // nevent
-  if (i == 3) return compute_vector(21);  // nevent_atom 
+  if (i == 3) return compute_vector(21);  // nevent_atom
   if (i == 4) return compute_vector(3);   // ave bonds/atom
   if (i == 5) return compute_vector(6);   // maxdrift
   if (i == 6) return compute_vector(7);   // maxbondlen
diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h
index 967101837e..147e3ef1ef 100644
--- a/src/REPLICA/fix_hyper_local.h
+++ b/src/REPLICA/fix_hyper_local.h
@@ -82,7 +82,7 @@ class FixHyperLocal : public FixHyper {
   double allboost;       // sum of boostcoeff on all bonds on this step
 
   int nnewbond;              // running tally of number of new bonds created
-  int maxbondperatom;        // max # of bonds any atom ever has        
+  int maxbondperatom;        // max # of bonds any atom ever has
   int commflag;              // flag for communication mode
   int nevent;                // # of events that trigger bond rebuild
   int nevent_atom;           // # of atoms that experienced an event
@@ -115,7 +115,7 @@ class FixHyperLocal : public FixHyper {
 
   double **xold;               // coords of owned+ghost atoms when bonds created
   tagint *tagold;              // global IDs of owned+ghost atoms when b created
-             
+
   int maxold;                  // allocated size of old2now
   int maxbond;                 // allocated size of bonds
   int old_nall;                // nlocal+nghost when old2now was last setup
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 89409d63fc..22940de221 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -40,7 +40,7 @@ enum{NOHYPER,GLOBAL,LOCAL};
 
 /* ---------------------------------------------------------------------- */
 
-Hyper::Hyper(LAMMPS *lmp) : 
+Hyper::Hyper(LAMMPS *lmp) :
   Pointers(lmp), dumplist(NULL)
 {}
 
@@ -73,7 +73,7 @@ void Hyper::command(int narg, char **arg)
 
   // total # of timesteps must be multiple of t_event
 
-  if (t_event <= 0) 
+  if (t_event <= 0)
     error->all(FLERR,"Invalid t_event in hyper command");
   if (nsteps % t_event)
     error->all(FLERR,"Hyper nsteps must be multiple of t_event");
@@ -209,7 +209,7 @@ void Hyper::command(int narg, char **arg)
     dynamics(t_event,time_dynamics);
     fix_event->store_state_quench();
     quench(0);
-    
+
     ecount = compute_event->all_events();
 
     if (ecount) {
@@ -226,7 +226,7 @@ void Hyper::command(int narg, char **arg)
       fix_event->store_event();
       if (hyperenable) fix_hyper->build_bond_list(ecount);
     }
-    
+
     fix_event->restore_state_quench();
     istep = update->ntimestep - update->beginstep;
   }
@@ -519,7 +519,7 @@ void Hyper::options(int narg, char **arg)
       if (iarg+2 > narg) error->all(FLERR,"Illegal hyper command");
       dumpflag = 1;
       int idump = output->find_dump(arg[iarg+1]);
-      if (idump < 0) 
+      if (idump < 0)
         error->all(FLERR,"Dump ID in hyper command does not exist");
       memory->grow(dumplist,ndump+1,"hyper:dumplist");
       dumplist[ndump++] = idump;
diff --git a/src/RIGID/fix_ehex.h b/src/RIGID/fix_ehex.h
index b606330f11..e29ddac135 100644
--- a/src/RIGID/fix_ehex.h
+++ b/src/RIGID/fix_ehex.h
@@ -75,7 +75,7 @@ class FixEHEX : public Fix {
 
 /* ERROR/WARNING messages:
 
-E: Illegal fix ehex command: wrong number of parameters 
+E: Illegal fix ehex command: wrong number of parameters
 
 UNDOCUMENTED
 
@@ -87,11 +87,11 @@ E: Region ID for fix ehex does not exist
 
 Self-explanatory.
 
-E: Illegal fix ehex keyword 
+E: Illegal fix ehex keyword
 
 UNDOCUMENTED
 
-E: You can only use the keyword 'com' together with the keyword 'constrain' 
+E: You can only use the keyword 'com' together with the keyword 'constrain'
 
 UNDOCUMENTED
 
diff --git a/src/RIGID/fix_rattle.h b/src/RIGID/fix_rattle.h
index a0405bbdcc..48edaef379 100644
--- a/src/RIGID/fix_rattle.h
+++ b/src/RIGID/fix_rattle.h
@@ -79,7 +79,7 @@ class FixRattle : public FixShake {
 
 /* ERROR/WARNING messages:
 
-W: Fix rattle should come after all other integration fixes 
+W: Fix rattle should come after all other integration fixes
 
 UNDOCUMENTED
 
@@ -88,15 +88,15 @@ E: Rattle determinant = 0.0
 The determinant of the matrix being solved for a single cluster
 specified by the fix rattle command is numerically invalid.
 
-E: Rattle failed 
+E: Rattle failed
 
 UNDOCUMENTED
 
-E: Coordinate constraints are not satisfied up to desired tolerance 
+E: Coordinate constraints are not satisfied up to desired tolerance
 
 UNDOCUMENTED
 
-E: Velocity constraints are not satisfied up to desired tolerance 
+E: Velocity constraints are not satisfied up to desired tolerance
 
 UNDOCUMENTED
 
diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp
index 39c49ca1c4..8fa43b89ce 100644
--- a/src/RIGID/fix_rigid.cpp
+++ b/src/RIGID/fix_rigid.cpp
@@ -174,7 +174,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
         MPI_Allreduce(&vmin,&minval,1,MPI_INT,MPI_MIN,world);
         molecule = new tagint[nlocal];
         for (i = 0; i < nlocal; i++)
-          if (mask[i] & groupbit) 
+          if (mask[i] & groupbit)
             molecule[i] = (tagint)((tagint)value[i] - minval + 1);
         delete[] value;
       } else error->all(FLERR,"Unsupported fix rigid custom property");
@@ -727,7 +727,7 @@ void FixRigid::init()
     int rflag = 0;
     for (i = 0; i < modify->nfix; i++) {
       if (modify->fix[i]->rigid_flag) rflag = 1;
-      if (rflag && (modify->fmask[i] & POST_FORCE) && 
+      if (rflag && (modify->fmask[i] & POST_FORCE) &&
           !modify->fix[i]->rigid_flag) {
         char str[128];
         snprintf(str,128,"Fix %s alters forces after fix rigid",modify->fix[i]->id);
@@ -2639,7 +2639,7 @@ int FixRigid::modify_param(int narg, char **arg)
     else error->all(FLERR,"Illegal fix_modify command");
 
     // reset fix mask
-    // must do here and not in init, 
+    // must do here and not in init,
     // since modify.cpp::init() uses fix masks before calling fix::init()
 
     for (int i = 0; i < modify->nfix; i++)
diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp
index 44e1870e0a..fb185d7702 100644
--- a/src/RIGID/fix_rigid_small.cpp
+++ b/src/RIGID/fix_rigid_small.cpp
@@ -566,7 +566,7 @@ void FixRigidSmall::init()
     int rflag = 0;
     for (i = 0; i < modify->nfix; i++) {
       if (modify->fix[i]->rigid_flag) rflag = 1;
-      if (rflag && (modify->fmask[i] & POST_FORCE) && 
+      if (rflag && (modify->fmask[i] & POST_FORCE) &&
           !modify->fix[i]->rigid_flag) {
         char str[128];
         snprintf(str,128,"Fix %s alters forces after fix rigid",modify->fix[i]->id);
@@ -3430,7 +3430,7 @@ int FixRigidSmall::modify_param(int narg, char **arg)
     else error->all(FLERR,"Illegal fix_modify command");
 
     // reset fix mask
-    // must do here and not in init, 
+    // must do here and not in init,
     // since modify.cpp::init() uses fix masks before calling fix::init()
 
     for (int i = 0; i < modify->nfix; i++)
diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp
index 6f8114042e..18682fdb9f 100644
--- a/src/SPIN/pair_spin_dmi.cpp
+++ b/src/SPIN/pair_spin_dmi.cpp
@@ -414,7 +414,7 @@ void PairSpinDmi::compute_dmi(int i, int j, double eij[3], double fmi[3], double
    compute the mechanical force due to the dmi interaction between atom i and atom j
 ------------------------------------------------------------------------- */
 
-void PairSpinDmi::compute_dmi_mech(int i, int j, double rsq, double /*eij*/[3], 
+void PairSpinDmi::compute_dmi_mech(int i, int j, double rsq, double /*eij*/[3],
     double fi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index 72a4c0d7de..8cd9d33abd 100644
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -134,7 +134,7 @@ void PairSpinExchange::coeff(int narg, char **arg)
       count++;
     }
   }
-  
+
   if (count == 0) error->all(FLERR,"Incorrect args in pair_style command");
 }
 
@@ -395,7 +395,7 @@ void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3],
    compute the mechanical force due to the exchange interaction between atom i and atom j
 ------------------------------------------------------------------------- */
 
-void PairSpinExchange::compute_exchange_mech(int i, int j, double rsq, double eij[3], 
+void PairSpinExchange::compute_exchange_mech(int i, int j, double rsq, double eij[3],
     double fi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;
diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp
index b305590729..67bf33e751 100644
--- a/src/USER-INTEL/fix_intel.cpp
+++ b/src/USER-INTEL/fix_intel.cpp
@@ -456,7 +456,7 @@ void FixIntel::pair_init_check(const bool cdmessage)
                  " exclusions with Intel");
   }
   #endif
-  
+
   int need_tag = 0;
   if (atom->molecular) need_tag = 1;
 
diff --git a/src/USER-INTEL/fix_intel.h b/src/USER-INTEL/fix_intel.h
index a01ed18bfe..3810b57355 100644
--- a/src/USER-INTEL/fix_intel.h
+++ b/src/USER-INTEL/fix_intel.h
@@ -83,7 +83,7 @@ class FixIntel : public Fix {
   }
   inline void set_reduce_flag() { if (_nthreads > 1) _need_reduce = 1; }
   inline int lrt() {
-    if (force->kspace_match("pppm/intel", 0) && update->whichflag == 1) 
+    if (force->kspace_match("pppm/intel", 0) && update->whichflag == 1)
       return _lrt;
     else return 0;
   }
@@ -104,7 +104,7 @@ class FixIntel : public Fix {
   int _pair_intel_count, _pair_hybrid_flag;
   // These should be removed in subsequent update w/ simpler hybrid arch
   int _pair_hybrid_zero, _hybrid_nonpair, _zero_master;
-  
+
  public:
   inline int* get_overflow_flag() { return _overflow_flag; }
   inline int* get_off_overflow_flag() { return _off_overflow_flag; }
@@ -215,7 +215,7 @@ class FixIntel : public Fix {
   _alignvar(double _stopwatch_offload_pair[1],64);
 
   void _sync_main_arrays(const int prereverse);
-  
+
   template <class ft>
   void reduce_results(ft * _noalias const f_in);
 
@@ -512,13 +512,13 @@ issues. Please use 14.0.1.106 or 15.1.133 or later.
 
 E: Currently, cannot offload more than one intel style with hybrid.
 
-Currently, when using offload, hybrid pair styles can only use the intel 
+Currently, when using offload, hybrid pair styles can only use the intel
 suffix for one of the pair styles.
 
 E: Cannot yet use hybrid styles with Intel offload.
 
 The hybrid pair style configuration is not yet supported when using offload
-within the Intel package. Support is limited to hybrid/overlay or a hybrid 
+within the Intel package. Support is limited to hybrid/overlay or a hybrid
 style that does not require a skip list.
 
 W: Leaving a core/node free can improve performance for offload
@@ -564,7 +564,7 @@ atoms throughout the simulation.
 E: Intel package requires fdotr virial with newton on.
 
 This error can occur with a hybrid pair style that mixes styles that are
-incompatible with the newton pair setting turned on. Try turning the 
+incompatible with the newton pair setting turned on. Try turning the
 newton pair setting off.
 
 E: Add -DLMP_INTEL_NBOR_COMPAT to build for special_bond exclusions with Intel
diff --git a/src/USER-INTEL/intel_buffers.cpp b/src/USER-INTEL/intel_buffers.cpp
index b7026f90b7..c0995b6a9c 100644
--- a/src/USER-INTEL/intel_buffers.cpp
+++ b/src/USER-INTEL/intel_buffers.cpp
@@ -255,7 +255,7 @@ void IntelBuffers<flt_t, acc_t>::free_list_local()
       #endif
       lmp->memory->destroy(cnumneigh);
     }
-      
+
     #ifdef _LMP_INTEL_OFFLOAD
     if (_off_map_ilist != NULL) {
       const int * ilist = _off_map_ilist;
@@ -295,7 +295,7 @@ void IntelBuffers<flt_t, acc_t>::grow_data3(NeighList *list,
 {
   const int size = list->get_maxlocal();
   int list_num;
-  for (list_num = 0; list_num < _n_list_ptrs; list_num++) 
+  for (list_num = 0; list_num < _n_list_ptrs; list_num++)
     if (_neigh_list_ptrs[list_num].list_ptr == (void*)list) break;
   if (list_num == _n_list_ptrs) {
     if (_n_list_ptrs == _max_list_ptrs) {
diff --git a/src/USER-INTEL/intel_preprocess.h b/src/USER-INTEL/intel_preprocess.h
index 178a20c6e1..2515e47c52 100644
--- a/src/USER-INTEL/intel_preprocess.h
+++ b/src/USER-INTEL/intel_preprocess.h
@@ -146,7 +146,7 @@ enum {TIME_PACK, TIME_HOST_NEIGHBOR, TIME_HOST_PAIR, TIME_OFFLOAD_NEIGHBOR,
   }
 
 #else
-  
+
 #define IP_PRE_edge_align(n, esize)                                     \
 
 #endif
diff --git a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
index 5149b26f2f..db4b0c50a4 100644
--- a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
+++ b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
@@ -482,7 +482,7 @@ void NPairFullBinGhostIntel::fbi(const int offload, NeighList * list,
             #endif
           }
         }
-       
+
         #ifndef _LMP_INTEL_OFFLOAD
         if (exclude) {
           int alln = n;
@@ -515,7 +515,7 @@ void NPairFullBinGhostIntel::fbi(const int offload, NeighList * list,
           }
         }
         #endif
-        
+
         int ns = n - maxnbors;
         int alln = n;
         atombin[i] = ns;
diff --git a/src/USER-INTEL/npair_halffull_newton_intel.cpp b/src/USER-INTEL/npair_halffull_newton_intel.cpp
index 93a1a97923..8248f2257a 100644
--- a/src/USER-INTEL/npair_halffull_newton_intel.cpp
+++ b/src/USER-INTEL/npair_halffull_newton_intel.cpp
@@ -61,7 +61,7 @@ void NPairHalffullNewtonIntel::build_t(NeighList *list,
   const int * _noalias const numneigh_full = list->listfull->numneigh;
   const int ** _noalias const firstneigh_full =
     (const int ** const)list->listfull->firstneigh;
-  
+
   #if defined(_OPENMP)
   #pragma omp parallel
   #endif
@@ -148,7 +148,7 @@ void NPairHalffullNewtonIntel::build_t3(NeighList *list, int *numhalf)
   const int * _noalias const numneigh_full = numhalf;
   const int ** _noalias const firstneigh_full =
     (const int ** const)list->listfull->firstneigh;
-  
+
   int packthreads = 1;
   if (comm->nthreads > INTEL_HTHREADS) packthreads = comm->nthreads;
 
diff --git a/src/USER-INTEL/npair_intel.cpp b/src/USER-INTEL/npair_intel.cpp
index a1c0785d4c..e20c437cb7 100644
--- a/src/USER-INTEL/npair_intel.cpp
+++ b/src/USER-INTEL/npair_intel.cpp
@@ -72,7 +72,7 @@ void NPairIntel::copy_cutsq_info(IntelBuffers<flt_t,acc_t> *buffers) {
   if (cutneighghostsq)
     use_ghost_cut = 1;
   buffers->set_ntypes(tp1, use_ghost_cut);
-  
+
   flt_t **cutneighsqb = buffers->get_cutneighsq();
   for (int i = 1; i <= atom->ntypes; i++)
     for (int j = 1; j <= atom->ntypes; j++)
@@ -116,7 +116,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
   #ifdef _LMP_INTEL_OFFLOAD
   if (offload_noghost && offload) nall_t = atom->nlocal;
   #endif
-  
+
   const int pack_width = _fix->nbor_pack_width();
 
   const ATOM_T * _noalias const x = buffers->get_x();
@@ -146,7 +146,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
   int ** _noalias const firstneigh = list->firstneigh;
   int * _noalias const numneigh = list->numneigh;
   int * _noalias const cnumneigh = buffers->cnumneigh();
- 
+
   const int nstencil = this->nstencil;
   const int * _noalias const stencil = this->stencil;
   const flt_t * _noalias const cutneighsq = buffers->get_cutneighsq()[0];
@@ -204,7 +204,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
     }
   }
   const int special_bound = sb;
-  
+
   #ifdef _LMP_INTEL_OFFLOAD
   const int * _noalias const binhead = this->binhead;
   const int * _noalias const bins = this->bins;
@@ -547,7 +547,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
               j = -j - 1;
             } else
               ofind_special(which, special, nspecial, i, tag[j]);
-            
+
             if (which) {
               j = j ^ (which << SBBITS);
               if (which < special_bound) addme = 0;
@@ -562,7 +562,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
           if (THREE) {
             alln = n2;
             n2 = pack_offset + maxnbors;
-            
+
             #if defined(LMP_SIMD_COMPILER)
             #pragma vector aligned
             #ifdef LMP_INTEL_NBOR_COMPAT
@@ -592,7 +592,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
             }
           }
         }
-        
+
         #ifndef _LMP_INTEL_OFFLOAD
         if (exclude) {
           neighptr2 = neighptr;
@@ -643,7 +643,7 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
             n += pack_width;
           }
           #endif
-          
+
           for (int u = pack_offset + maxnbors; u < n2; u++) {
             #ifdef LMP_INTEL_3BODY_FAST
             neighptr[n] = neighptr2[u];
diff --git a/src/USER-INTEL/npair_intel.h b/src/USER-INTEL/npair_intel.h
index e47687abea..6d4e01462f 100644
--- a/src/USER-INTEL/npair_intel.h
+++ b/src/USER-INTEL/npair_intel.h
@@ -76,7 +76,7 @@ class NPairIntel : public NPair {
   NPairIntel(class LAMMPS *);
   ~NPairIntel();
   virtual void copy_neighbor_info();
-  
+
   #ifdef _LMP_INTEL_OFFLOAD
   void grow_stencil();
   #endif
@@ -86,7 +86,7 @@ class NPairIntel : public NPair {
 
   template <class flt_t, class acc_t>
   void copy_cutsq_info(IntelBuffers<flt_t,acc_t> *);
-  
+
   template <class flt_t, class acc_t, int, int, int, int, int>
   void bin_newton(const int, NeighList *, IntelBuffers<flt_t,acc_t> *,
                   const int, const int, const int offload_end = 0);
diff --git a/src/USER-INTEL/npair_skip_intel.cpp b/src/USER-INTEL/npair_skip_intel.cpp
index 3d2463a0b9..fa202d5da1 100644
--- a/src/USER-INTEL/npair_skip_intel.cpp
+++ b/src/USER-INTEL/npair_skip_intel.cpp
@@ -109,7 +109,7 @@ void NPairSkipIntel::build_t(NeighList *list, int *numhalf, int *cnumneigh,
 
     int my_inum = ifrom;
     _inum_starts[tid] = ifrom;
-    
+
     // loop over parent full list
     for (int ii = ifrom; ii < ito; ii++) {
       const int i = ilist_skip[ii];
@@ -131,7 +131,7 @@ void NPairSkipIntel::build_t(NeighList *list, int *numhalf, int *cnumneigh,
           const int j = joriginal & NEIGHMASK;
           if (!ijskip[itype][type[j]]) neighptr[n++] = joriginal;
         }
-        numhalf[my_inum] = n; 
+        numhalf[my_inum] = n;
 
         for (int jj = jnumhalf; jj < jnum; jj++) {
           const int joriginal = jlist[jj];
diff --git a/src/USER-INTEL/npair_skip_intel.h b/src/USER-INTEL/npair_skip_intel.h
index e3277708d5..6bb3dfa5d0 100644
--- a/src/USER-INTEL/npair_skip_intel.h
+++ b/src/USER-INTEL/npair_skip_intel.h
@@ -46,7 +46,7 @@ class NPairSkipIntel : public NPair {
   ~NPairSkipIntel();
   virtual void copy_neighbor_info();
   void build(class NeighList *);
-  
+
  protected:
   FixIntel *_fix;
   int *_inum_starts, *_inum_counts, *_full_props;
diff --git a/src/USER-INTEL/pair_airebo_intel.h b/src/USER-INTEL/pair_airebo_intel.h
index 8a319536de..95e054fc0f 100644
--- a/src/USER-INTEL/pair_airebo_intel.h
+++ b/src/USER-INTEL/pair_airebo_intel.h
@@ -110,7 +110,7 @@ path and name are correct.
 E: Cannot yet use airebo/intel with hybrid.
 
 Pair style airebo/intel cannot currently be used as part of a hybrid
-pair style (with the exception of hybrid/overlay). 
+pair style (with the exception of hybrid/overlay).
 
 
 */
diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
index 3954d559e1..f82f4c1c7a 100644
--- a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
+++ b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
@@ -204,7 +204,7 @@ void PairBuckCoulCutIntel::eval(const int offload, const int vflag,
     acc_t oevdwl, oecoul, ov0, ov1, ov2, ov3, ov4, ov5;
     if (EFLAG || vflag)
       oevdwl = oecoul = ov0 = ov1 = ov2 = ov3 = ov4 = ov5 = (acc_t)0;
-    if (NEWTON_PAIR == 0 && inum != nlocal)     
+    if (NEWTON_PAIR == 0 && inum != nlocal)
       memset(f_start, 0, f_stride * sizeof(FORCE_T));
 
     // loop over neighbors of my atoms
diff --git a/src/USER-INTEL/pair_dpd_intel.cpp b/src/USER-INTEL/pair_dpd_intel.cpp
index 9baa64e8e0..5d67a60c4b 100644
--- a/src/USER-INTEL/pair_dpd_intel.cpp
+++ b/src/USER-INTEL/pair_dpd_intel.cpp
@@ -521,7 +521,7 @@ void PairDPDIntel::pack_force_const(ForceConst<flt_t> &fc,
     }
   }
   if (mytypes > 1 || atom->molecular) _onetype = 0;
-  
+
   for (int i = 0; i < 4; i++) {
     fc.special_lj[i] = force->special_lj[i];
     fc.special_lj[0] = 1.0;
diff --git a/src/USER-INTEL/pppm_intel.cpp b/src/USER-INTEL/pppm_intel.cpp
index f3fa8dd15d..59455bcf52 100644
--- a/src/USER-INTEL/pppm_intel.cpp
+++ b/src/USER-INTEL/pppm_intel.cpp
@@ -586,7 +586,7 @@ void PPPMIntel::fieldforce_ik(IntelBuffers<flt_t,acc_t> *buffers)
     if (force->newton_pair) zl += atom->nghost;
     memset(f, 0, zl * sizeof(FORCE_T));
   }
-  
+
   #if defined(_OPENMP)
   #pragma omp parallel default(none) \
     shared(nlocal, nthr) if(!_use_lrt)
@@ -737,7 +737,7 @@ void PPPMIntel::fieldforce_ad(IntelBuffers<flt_t,acc_t> *buffers)
     if (force->newton_pair) zl += atom->nghost;
     memset(f, 0, zl * sizeof(FORCE_T));
   }
-  
+
   #if defined(_OPENMP)
   #pragma omp parallel default(none) \
     shared(nlocal, nthr) if(!_use_lrt)
diff --git a/src/USER-MEAMC/meam_impl.cpp b/src/USER-MEAMC/meam_impl.cpp
index d4a47a4f48..b099ead8d5 100644
--- a/src/USER-MEAMC/meam_impl.cpp
+++ b/src/USER-MEAMC/meam_impl.cpp
@@ -34,12 +34,12 @@ MEAM::MEAM(Memory* mem)
 
   maxneigh = 0;
   scrfcn = dscrfcn = fcpair = NULL;
-  
+
   neltypes = 0;
   for (int i = 0; i < maxelt; i++) {
-    Omega_meam[i] = Z_meam[i] = A_meam[i] = rho0_meam[i] = beta0_meam[i] = 
-      beta1_meam[i]= beta2_meam[i] = beta3_meam[i] = 
-      t0_meam[i] = t1_meam[i] = t2_meam[i] = t3_meam[i] = 
+    Omega_meam[i] = Z_meam[i] = A_meam[i] = rho0_meam[i] = beta0_meam[i] =
+      beta1_meam[i]= beta2_meam[i] = beta3_meam[i] =
+      t0_meam[i] = t1_meam[i] = t2_meam[i] = t3_meam[i] =
       rho_ref_meam[i] = ibar_meam[i] = ielt_meam[i] = 0.0;
     for (int j = 0; j < maxelt; j++) {
       lattce_meam[i][j] = FCC;
diff --git a/src/USER-MISC/compute_stress_mop.h b/src/USER-MISC/compute_stress_mop.h
index 2047d1d54f..07bb774148 100644
--- a/src/USER-MISC/compute_stress_mop.h
+++ b/src/USER-MISC/compute_stress_mop.h
@@ -56,47 +56,47 @@ namespace LAMMPS_NS {
 #endif
 
 /* ERROR/WARNING messages:
- 
+
  E: Illegal ... command
- 
+
  Self-explanatory.  Check the input script syntax and compare to the
  documentation for the command.  You can use -echo screen as a
  command-line option when running LAMMPS to see the offending line.
- 
+
  E: Compute stress/mop incompatible with simulation dimension
- 
+
  Compute stress/mop only works with 3D simulations.
- 
+
  E: Compute stress/mop incompatible with triclinic simulation box
- 
+
  Self-explanatory.
- 
+
  E: Compute stress/mop requires a fixed simulation box
- 
+
  Compute stress/mop is not compatible with any change of volume or shape
  or boundary conditions of the simulation box.
- 
+
  E: No pair style is defined for compute stress/mop
- 
+
  Self-explanatory. Compute stress/mop requires the definition of a pair style.
- 
+
  E: Pair style does not support compute stress/mop
- 
+
  The pair style does not have a single() function, so it can
  not be invoked by compute stress/mop.
- 
+
  W: compute stress/mop does not account for bond potentials
- 
+
  W: compute stress/mop does not account for angle potentials
- 
+
  W: compute stress/mop does not account for dihedral potentials
- 
+
  W: compute stress/mop does not account for improper potentials
- 
+
  W: compute stress/mop does not account for kspace contributions
- 
+
  Compute stress/mop only accounts for pairwise additive interactions for
  the computation of local stress tensor components.
- 
+
  */
 
diff --git a/src/USER-MISC/compute_stress_mop_profile.h b/src/USER-MISC/compute_stress_mop_profile.h
index 0ab774f3db..d86237b0bd 100644
--- a/src/USER-MISC/compute_stress_mop_profile.h
+++ b/src/USER-MISC/compute_stress_mop_profile.h
@@ -70,43 +70,43 @@ namespace LAMMPS_NS {
    command-line option when running LAMMPS to see the offending line.
 
    E: Compute stress/mop/profile incompatible with simulation dimension
- 
+
    Compute stress/mop/profile only works with 3D simulations.
- 
+
    E: Compute stress/mop/profile incompatible with triclinic simulation box
- 
+
    Self-explanatory.
- 
+
    E: Compute stress/mop/profile requires a fixed simulation box
- 
+
    Compute stress/mop/profile is not compatible with any change of volume or shape
    or boundary conditions of the simulation box.
- 
+
    E: No pair style is defined for compute stress/mop/profile
- 
+
    Self-explanatory. Compute stress/mop/profile requires the definition of a pair style.
- 
+
    E: Pair style does not support compute stress/mop/profile
- 
+
    The pair style does not have a single() function, so it can
    not be invoked by compute stress/mop/profile.
- 
+
    E: Origin of bins for compute stress/mop/profile is out of bounds
- 
+
    Self-explanatory.
- 
+
    W: compute stress/mop/profile does not account for bond potentials
- 
+
    W: compute stress/mop/profile does not account for angle potentials
- 
+
    W: compute stress/mop/profile does not account for dihedral potentials
- 
+
    W: compute stress/mop/profile does not account for improper potentials
- 
+
    W: compute stress/mop/profile does not account for kspace contributions
- 
+
    Compute stress/mop/profile only accounts for pairwise additive interactions for
    the computation of local stress tensor components.
- 
+
 */
 
diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp
index 7345bcdad1..963364d289 100644
--- a/src/USER-MISC/dihedral_table_cut.cpp
+++ b/src/USER-MISC/dihedral_table_cut.cpp
@@ -454,7 +454,7 @@ DihedralTableCut::~DihedralTableCut()
 
 void DihedralTableCut::compute(int eflag, int vflag)
 {
-  
+
   int i1,i2,i3,i4,i,j,k,n,type;
   double edihedral;
   double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z,vb2xm,vb2ym,vb2zm;
@@ -704,12 +704,12 @@ void DihedralTableCut::compute(int eflag, int vflag)
     double gptt = 0;
 
     if ( acos(costh12) > aat_theta0_1[type]) {
-      gt *= 1-da1*da1/dtheta/dtheta; 
+      gt *= 1-da1*da1/dtheta/dtheta;
       gpt = -aat_k[type]*2*da1/dtheta/dtheta;
     }
 
     if ( acos(costh23) > aat_theta0_1[type]) {
-      gtt *= 1-da2*da2/dtheta/dtheta; 
+      gtt *= 1-da2*da2/dtheta/dtheta;
       gptt = -aat_k[type]*2*da2/dtheta/dtheta;
     }
 
@@ -717,7 +717,7 @@ void DihedralTableCut::compute(int eflag, int vflag)
 
       for (i = 0; i < 4; i++)
         for (j = 0; j < 3; j++)
-          fabcd[i][j] -=  - gt*gtt*fpphi*dphidr[i][j] 
+          fabcd[i][j] -=  - gt*gtt*fpphi*dphidr[i][j]
             - gt*gptt*fphi*dthetadr[1][i][j] + gpt*gtt*fphi*dthetadr[0][i][j];
 
     // apply force to each of 4 atoms
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
index 75edd42102..e9583032fe 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
@@ -85,7 +85,7 @@ void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
   double rsq,r,rhosq,exp1,exp2,r6,r8;
   double frho,sumC,sumC2,sumCff,fsum,rdsq;
   int *ilist,*jlist,*numneigh,**firstneigh;
-  
+
   evdwl = 0.0;
   if (eflag || vflag) ev_setup(eflag,vflag);
   else evflag = vflag_fdotr = 0;
@@ -121,7 +121,7 @@ void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
       // rho^2 = r^2 - (n,r) = r^2 - z^2
       rhosq = delx*delx + dely*dely;
       rsq = rhosq + delz*delz;
-      
+
       if (rsq < cutsq[itype][jtype]) {
 
         int iparam_ij = elem2param[map[itype]][map[jtype]];
@@ -137,7 +137,7 @@ void PairKolmogorovCrespiZ::compute(int eflag, int vflag)
         exp2 = exp(-rdsq);
 
         // note that f(rho_ij) equals f(rho_ji) as normals are all along z
-        sumC = p.C0+p.C2*rdsq+p.C4*rdsq*rdsq; 
+        sumC = p.C0+p.C2*rdsq+p.C4*rdsq*rdsq;
         sumC2 = (2*p.C2+4*p.C4*rdsq)*p.delta2inv;
         frho = exp2*sumC;
         sumCff = p.C + 2*frho;
@@ -221,9 +221,9 @@ void PairKolmogorovCrespiZ::settings(int narg, char **arg)
 
 void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
 {
-  int i,j,n; 
+  int i,j,n;
 
-  if (narg != 3 + atom->ntypes) 
+  if (narg != 3 + atom->ntypes)
     error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
 
@@ -262,7 +262,7 @@ void PairKolmogorovCrespiZ::coeff(int narg, char **arg)
 
 
   read_file(arg[2]);
-  
+
   double cut_one = cut_global;
 
   int count = 0;
@@ -407,7 +407,7 @@ void PairKolmogorovCrespiZ::read_file(char *filename)
     params[nparams].S        = atof(words[10]);
 
     // energies in meV further scaled by S
-    double meV = 1.0e-3*params[nparams].S; 
+    double meV = 1.0e-3*params[nparams].S;
     params[nparams].C *= meV;
     params[nparams].A *= meV;
     params[nparams].C0 *= meV;
diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp
index e6f174e811..4cd21b1dbe 100644
--- a/src/USER-MISC/pair_lj_mdf.cpp
+++ b/src/USER-MISC/pair_lj_mdf.cpp
@@ -82,7 +82,7 @@ void PairLJMDF::compute(int eflag, int vflag)
   firstneigh = list->firstneigh;
 
   // loop over neighbors of my atoms
-  
+
   for (ii = 0; ii < inum; ii++) {
     i = ilist[ii];
     xtmp = x[i][0];
@@ -109,7 +109,7 @@ void PairLJMDF::compute(int eflag, int vflag)
         forcelj = r6inv * (lj1[itype][jtype]*r6inv - lj2[itype][jtype]);
 
         if (rsq > cut_inner_sq[itype][jtype]) {
-          philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);  
+          philj = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]);
 
           rr = sqrt(rsq);
           dp = (cut[itype][jtype] - cut_inner[itype][jtype]);
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
index dd39002fe4..1fc4644420 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
@@ -142,7 +142,7 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
           term3 = term2*term2;
           term4 = 1.0/(1.0 + term2);
           term5 = 1.0/(1.0 + 2.0*term2 + term3);
-          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp;
           forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
           ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
 
@@ -150,11 +150,11 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
           if (rsq > rsmooth_sq[itype][jtype]) {
             rcu = r*rsq;
             rqu = rsq*rsq;
-            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu +
                   c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu +
                   3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-            // forcebuck6d is -dE/dr*r 
+            // forcebuck6d is -dE/dr*r
             forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
             ebuck6d *= sme;
           }
@@ -167,10 +167,10 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
           arg = alpha_ij[itype][jtype]*r;
           erfcd = MathSpecial::expmsq(arg);
           erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
-          
-          forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
+
+          forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) +
                                                 r*f_shift_ij[itype][jtype]) * r;
-        
+
           if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor;
         } else forcecoul = 0.0;
 
@@ -191,7 +191,7 @@ void PairBuck6dCoulGaussDSF::compute(int eflag, int vflag)
           } else evdwl = 0.0;
 
           if (rsq < cut_coulsq) {
-            ecoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
+            ecoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] -
                                  rsq*f_shift_ij[itype][jtype]);
             if (factor_coul < 1.0) ecoul -= (1.0-factor_coul)*prefactor;
           } else ecoul = 0.0;
@@ -317,7 +317,7 @@ void PairBuck6dCoulGaussDSF::init_style()
 
   neighbor->request(this,instance_me);
 
-  cut_coulsq = cut_coul * cut_coul;  
+  cut_coulsq = cut_coul * cut_coul;
 }
 
 /* ----------------------------------------------------------------------
@@ -330,7 +330,7 @@ double PairBuck6dCoulGaussDSF::init_one(int i, int j)
 
   double cut = MAX(cut_lj[i][j],cut_coul);
   cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
-  
+
   //calculation of smoothing coefficients c0-c5
   c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
   rsmooth_sq[i][j] = cut_ljsq[i][j];
@@ -347,7 +347,7 @@ double PairBuck6dCoulGaussDSF::init_one(int i, int j)
     c5[i][j] = -6.0/denom;
     rsmooth_sq[i][j] = rsm_sq;
   }
-  
+
   // if offset_flag, shift is only invoked if there is not already smoothing
   if (offset_flag && vdwl_smooth >= 1.0) {
     double term1 = buck6d3[i][j]/pow(cut_lj[i][j],6.0);
@@ -355,12 +355,12 @@ double PairBuck6dCoulGaussDSF::init_one(int i, int j)
     double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
     offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
   } else offset[i][j] = 0.0;
-  
+
   double erfcd_c = exp(-alpha_ij[i][j]*alpha_ij[i][j]*cut_coul*cut_coul);
   double erfcc_c = erf(alpha_ij[i][j]*cut_coul);
   f_shift_ij[i][j] = -erfcc_c/cut_coulsq + 2.0/MY_PIS*alpha_ij[i][j]*erfcd_c/cut_coul;
   e_shift_ij[i][j] = erfcc_c/cut_coul - f_shift_ij[i][j]*cut_coul;
-  
+
   cut_ljsq[j][i] = cut_ljsq[i][j];
   alpha_ij[j][i] = alpha_ij[i][j];
   f_shift_ij[j][i] = f_shift_ij[i][j];
@@ -520,18 +520,18 @@ double PairBuck6dCoulGaussDSF::single(int i, int j, int itype, int jtype, double
     term3 = term2*term2;
     term4 = 1.0/(1.0 + term2);
     term5 = 1.0/(1.0 + 2.0*term2 + term3);
-    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp;
     forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
     ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
     // smoothing term
     if (rsq > rsmooth_sq[itype][jtype]) {
       rcu = r*rsq;
       rqu = rsq*rsq;
-      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu +
             c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu +
             3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-      // forcebuck6d is -dE/dr*r 
+      // forcebuck6d is -dE/dr*r
       forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
       ebuck6d *= sme;
     }
@@ -542,7 +542,7 @@ double PairBuck6dCoulGaussDSF::single(int i, int j, int itype, int jtype, double
     arg = alpha_ij[itype][jtype]*r;
     erfcd = MathSpecial::expmsq(arg);
     erfcc = 1 - (MathSpecial::my_erfcx(arg) * erfcd);
-    forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) + 
+    forcecoul = prefactor * ((erfcc/r) - (2.0/MY_PIS*alpha_ij[itype][jtype]*erfcd) +
                                           r*f_shift_ij[itype][jtype]) * r;
   } else forcecoul = 0.0;
 
@@ -555,7 +555,7 @@ double PairBuck6dCoulGaussDSF::single(int i, int j, int itype, int jtype, double
   }
 
   if (rsq < cut_coulsq) {
-    phicoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] - 
+    phicoul = prefactor * (erfcc - r*e_shift_ij[itype][jtype] -
                                  rsq*f_shift_ij[itype][jtype]);
     eng += phicoul;
   }
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
index ffeb6fa957..1ca42d864e 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
@@ -144,17 +144,17 @@ void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
           term3 = term2*term2;
           term4 = 1.0/(1.0 + term2);
           term5 = 1.0/(1.0 + 2.0*term2 + term3);
-          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+          forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp;
           forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
           ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
-          
+
           // smoothing term
           if (rsq > rsmooth_sq[itype][jtype]) {
             rcu = r*rsq;
             rqu = rsq*rsq;
-            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+            sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu +
                   c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+            smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu +
                   3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
             // forcebuck6d is -dE/dr*r
             forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r;
@@ -172,15 +172,15 @@ void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
           arg = alpha_ij[itype][jtype]*r;
           expa = MathSpecial::expmsq(arg);
           erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
-          
+
           prefactor = qqrd2e*qtmp*q[j]/r;
           falpha = erfa - EWALD_F*arg*expa;
           forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
           if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
-          
+
           // (q*q/r) * (gauss(alpha_ij) - gauss(alpha_long)
           ealpha = prefactor * (erfa-erf);
-          // smoothing term - NOTE: ingnored in special_bonds correction 
+          // smoothing term - NOTE: ingnored in special_bonds correction
           // since likely rsmooth_sq_c >> d(special)
           if (rsq > rsmooth_sq_c) {
             rcu = r*rsq;
@@ -191,7 +191,7 @@ void PairBuck6dCoulGaussLong::compute(int eflag, int vflag)
             ealpha *= sme;
           }
         } else forcecoul = 0.0;
-          
+
 
         fpair = (forcecoul + factor_lj*forcebuck6d) * r2inv;
         f[i][0] += delx*fpair;
@@ -340,8 +340,8 @@ void PairBuck6dCoulGaussLong::init_style()
 
   neighbor->request(this,instance_me);
 
-  cut_coulsq = cut_coul * cut_coul;  
-  
+  cut_coulsq = cut_coul * cut_coul;
+
   //calculation of smoothing coefficients c0_c-c5_c for coulomb smoothing
   c0_c = c1_c = c2_c = c3_c = c4_c = c5_c = 0.0;
   rsmooth_sq_c = cut_coulsq;
@@ -370,7 +370,7 @@ double PairBuck6dCoulGaussLong::init_one(int i, int j)
 
   double cut = MAX(cut_lj[i][j],cut_coul);
   cut_ljsq[i][j] = cut_lj[i][j] * cut_lj[i][j];
-  
+
   //calculation of smoothing coefficients c0-c5
   c0[i][j] = c1[i][j] = c2[i][j] = c3[i][j] = c4[i][j] = c5[i][j] = 0.0;
   rsmooth_sq[i][j] = cut_ljsq[i][j];
@@ -395,7 +395,7 @@ double PairBuck6dCoulGaussLong::init_one(int i, int j)
     double rexp = exp(-cut_lj[i][j]*buck6d2[i][j]);
     offset[i][j] = buck6d1[i][j]*rexp - term1*term4;
   } else offset[i][j] = 0.0;
-  
+
   cut_ljsq[j][i] = cut_ljsq[i][j];
   alpha_ij[j][i] = alpha_ij[i][j];
   buck6d1[j][i] = buck6d1[i][j];
@@ -557,18 +557,18 @@ double PairBuck6dCoulGaussLong::single(int i, int j, int itype, int jtype, doubl
     term3 = term2*term2;
     term4 = 1.0/(1.0 + term2);
     term5 = 1.0/(1.0 + 2.0*term2 + term3);
-    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp; 
+    forcebuck6d = buck6d1[itype][jtype]*buck6d2[itype][jtype]*r*rexp;
     forcebuck6d -= term1*(6.0*term4 - term5*14.0*term2);
     ebuck6d = buck6d1[itype][jtype]*rexp - term1*term4;
     // smoothing term
     if (rsq > rsmooth_sq[itype][jtype]) {
       rcu = r*rsq;
       rqu = rsq*rsq;
-      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu + 
+      sme = c5[itype][jtype]*rqu*r + c4[itype][jtype]*rqu + c3[itype][jtype]*rcu +
             c2[itype][jtype]*rsq + c1[itype][jtype]*r + c0[itype][jtype];
-      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu + 
+      smf = 5.0*c5[itype][jtype]*rqu + 4.0*c4[itype][jtype]*rcu +
             3.0*c3[itype][jtype]*rsq + 2.0*c2[itype][jtype]*r + c1[itype][jtype];
-      // forcebuck6d is -dE/dr*r 
+      // forcebuck6d is -dE/dr*r
       forcebuck6d = forcebuck6d*sme - ebuck6d*smf*r; //RS was here: changed this from +E*smf to -E*smf*r
       ebuck6d *= sme;
     }
@@ -584,12 +584,12 @@ double PairBuck6dCoulGaussLong::single(int i, int j, int itype, int jtype, doubl
     arg = alpha_ij[itype][jtype]*r;
     expa = MathSpecial::expmsq(arg);
     erfa = 1 - (MathSpecial::my_erfcx(arg) * expa);
-          
+
     prefactor = force->qqrd2e * atom->q[i] * atom->q[j] / r;
     falpha = erfa - EWALD_F*arg*expa;
     forcecoul = prefactor * (falpha - erf + EWALD_F*grij*expm2);
     if (factor_coul < 1.0) forcecoul -= (1.0-factor_coul)*prefactor*falpha;
-          
+
     ealpha = prefactor * (erfa-erf);
     // smoothing term
     if (rsq > rsmooth_sq_c) {
diff --git a/src/USER-PTM/ptm_polar.cpp b/src/USER-PTM/ptm_polar.cpp
index d75424e11f..d5dca957be 100644
--- a/src/USER-PTM/ptm_polar.cpp
+++ b/src/USER-PTM/ptm_polar.cpp
@@ -1,5 +1,5 @@
 /*******************************************************************************
- *  -/_|:|_|_\- 
+ *  -/_|:|_|_\-
  *
  *  This code is a modification of D.L. Theobald's QCP rotation code.
  *  It has been adapted to calculate the polar decomposition of a 3x3 matrix
@@ -14,7 +14,7 @@
  *				  USA
  *
  *				  dtheobald@brandeis.edu
- *				  
+ *				
  *				  Pu Liu
  *				  Johnson & Johnson Pharmaceutical Research and Development, L.L.C.
  *				  665 Stockton Drive
@@ -22,7 +22,7 @@
  *				  USA
  *
  *				  pliu24@its.jnj.com
- * 
+ *
  *
  *	If you use this QCP rotation calculation method in a publication, please
  *	reference:
@@ -33,7 +33,7 @@
  *	  Acta Crystallographica A 61(4):478-480.
  *
  *	  Pu Liu, Dmitris K. Agrafiotis, and Douglas L. Theobald (2009)
- *	  "Fast determination of the optimal rotational matrix for macromolecular 
+ *	  "Fast determination of the optimal rotational matrix for macromolecular
  *	  superpositions."
  *	  Journal of Computational Chemistry 31(7):1561-1563.
  *
@@ -63,7 +63,7 @@
  *  DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
  *  THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
  *  (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
- *  OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 
+ *  OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  *
  *  Source:		 started anew.
  *
@@ -82,7 +82,7 @@
  *
  *      2016/05/29        QCP method adapted for polar decomposition of a 3x3 matrix,
  *			  for use in Polyhedral Template Matching.
- *  
+ *
  ******************************************************************************/
 
 #include <cmath>
@@ -327,7 +327,7 @@ void InnerProduct(double *A, int num, const double (*coords1)[3], double (*coord
 
 		A[6] += z1 * x2;
 		A[7] += z1 * y2;
-		A[8] += z1 * z2;  
+		A[8] += z1 * z2;
 	}
 }
 
diff --git a/src/USER-SCAFACOS/scafacos.cpp b/src/USER-SCAFACOS/scafacos.cpp
index 482a5586c7..8d2b69deee 100644
--- a/src/USER-SCAFACOS/scafacos.cpp
+++ b/src/USER-SCAFACOS/scafacos.cpp
@@ -65,10 +65,10 @@ void Scafacos::settings(int narg, char **arg)
   if (strcmp(method,"fmm") == 0) {
     tolerance_type = FCS_TOLERANCE_TYPE_ENERGY;
     fmm_tuning_flag = 0;
-  } else if (strcmp(method,"p3m") == 0 || 
-             strcmp(method,"p2nfft") == 0 || 
+  } else if (strcmp(method,"p3m") == 0 ||
+             strcmp(method,"p2nfft") == 0 ||
              strcmp(method,"ewald") == 0) {
-    tolerance_type = FCS_TOLERANCE_TYPE_FIELD;    
+    tolerance_type = FCS_TOLERANCE_TYPE_FIELD;
   } else if (strcmp(method,"direct") == 0) {
     ; // direct summation has no tolerance type
   } else {
@@ -100,7 +100,7 @@ void Scafacos::init()
   if (logfile && me == 0) fprintf(logfile,
                           "Setting up ScaFaCoS with solver %s ...\n",method);
 
-  if (!atom->q_flag) 
+  if (!atom->q_flag)
     error->all(FLERR,"Kspace style requires atom attribute q");
 
   if (domain->dimension == 2)
@@ -112,7 +112,7 @@ void Scafacos::init()
   if (atom->natoms > INT_MAX && sizeof(int) != 8)
     error->all(FLERR,"Scafacos atom count exceeds 2B");
 
-  if (atom->molecular > 0) 
+  if (atom->molecular > 0)
     error->all(FLERR,
                "Cannot use Scafacos with molecular charged systems yet");
 
@@ -140,7 +140,7 @@ void Scafacos::init()
     }
 
     double **x = atom->x;
-    double *q = atom->q; 
+    double *q = atom->q;
     int nlocal = atom->nlocal;
 
     if (strcmp(method,"fmm") == 0)
@@ -164,7 +164,7 @@ void Scafacos::init()
 
     result = fcs_tune((FCS)fcs,nlocal,&x[0][0],q);
     check_result((void*)&result);
-    // more useful here, since the parameters should be tuned now 
+    // more useful here, since the parameters should be tuned now
     if (me == 0) fcs_print_parameters((FCS)fcs);
   }
 
@@ -194,12 +194,12 @@ void Scafacos::compute(int eflag, int vflag)
   }
 
   if (eflag || vflag) ev_setup(eflag,vflag);
-  else 
+  else
   {
     eflag_atom = 0;
     vflag_global = 0;
   }
-  
+
   // grow xpbc, epot, efield if necessary
 
   if (nlocal > maxatom || maxatom == 0) {
@@ -270,7 +270,7 @@ void Scafacos::compute(int eflag, int vflag)
     f[i][1] += qone * efield[i][1];
     f[i][2] += qone * efield[i][2];
     myeng += 0.5 * qone * epot[i];
-  } 
+  }
 
   if (eflag_atom) {
     for (int i = 0; i < nlocal; i++)
@@ -296,50 +296,50 @@ int Scafacos::modify_param(int narg, char **arg)
     if (narg < 3) error->all(FLERR,
                          "Illegal kspace_modify command (tolerance)");
     if (strcmp(arg[2],"energy") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_ENERGY;     
+      tolerance_type = FCS_TOLERANCE_TYPE_ENERGY;
     else if (strcmp(arg[2],"energy_rel") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_ENERGY_REL;     
+      tolerance_type = FCS_TOLERANCE_TYPE_ENERGY_REL;
     else if (strcmp(arg[2],"field") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_FIELD;     
+      tolerance_type = FCS_TOLERANCE_TYPE_FIELD;
     else if (strcmp(arg[2],"field_rel") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_FIELD_REL;     
+      tolerance_type = FCS_TOLERANCE_TYPE_FIELD_REL;
     else if (strcmp(arg[2],"potential") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_POTENTIAL;     
+      tolerance_type = FCS_TOLERANCE_TYPE_POTENTIAL;
     else if (strcmp(arg[2],"potential_rel") == 0)
-      tolerance_type = FCS_TOLERANCE_TYPE_POTENTIAL_REL;     
+      tolerance_type = FCS_TOLERANCE_TYPE_POTENTIAL_REL;
     else error->all(FLERR,
                 "Illegal kspace_modify command (tolerance argument)");
     // check if method is compatatible to chosen tolerance type
     if(
         (
-          strcmp(method,"fmm") == 0 && 
-          ( 
-            tolerance_type != FCS_TOLERANCE_TYPE_ENERGY && 
+          strcmp(method,"fmm") == 0 &&
+          (
+            tolerance_type != FCS_TOLERANCE_TYPE_ENERGY &&
             tolerance_type != FCS_TOLERANCE_TYPE_ENERGY_REL
-          ) 
-        ) || 
-        (
-          strcmp(method,"p2nfft") == 0 && 
-          ( 
-            tolerance_type != FCS_TOLERANCE_TYPE_FIELD && 
-            tolerance_type != FCS_TOLERANCE_TYPE_POTENTIAL
-          ) 
-        ) ||
-        (
-          strcmp(method,"p3m") == 0 && 
-          ( 
-            tolerance_type != FCS_TOLERANCE_TYPE_FIELD 
-          ) 
-        ) ||
-        (
-          strcmp(method,"ewald") == 0 && 
-          ( 
-            tolerance_type != FCS_TOLERANCE_TYPE_FIELD  
           )
-        ) 
+        ) ||
+        (
+          strcmp(method,"p2nfft") == 0 &&
+          (
+            tolerance_type != FCS_TOLERANCE_TYPE_FIELD &&
+            tolerance_type != FCS_TOLERANCE_TYPE_POTENTIAL
+          )
+        ) ||
+        (
+          strcmp(method,"p3m") == 0 &&
+          (
+            tolerance_type != FCS_TOLERANCE_TYPE_FIELD
+          )
+        ) ||
+        (
+          strcmp(method,"ewald") == 0 &&
+          (
+            tolerance_type != FCS_TOLERANCE_TYPE_FIELD
+          )
+        )
       )
         error->all(FLERR,"Illegal kspace_modify command \
-                          (invalid tolerance / method combination)"); 
+                          (invalid tolerance / method combination)");
     return 3;
   }
 
@@ -375,7 +375,7 @@ double Scafacos::memory_usage()
 }
 
 /* ----------------------------------------------------------------------
-    setup of ScaFaCoS handle with common parameters 
+    setup of ScaFaCoS handle with common parameters
 ------------------------------------------------------------------------- */
 
 void Scafacos::setup_handle()
@@ -443,7 +443,7 @@ bool Scafacos::box_has_changed()
   int *periodicity = domain->periodicity;
   double *prd = domain->prd;
 
-  bool changed = 
+  bool changed =
     (periodicity[0] != old_periodicity[0]) ||
     (periodicity[1] != old_periodicity[1]) ||
     (periodicity[2] != old_periodicity[2]) ||
@@ -462,14 +462,14 @@ bool Scafacos::box_has_changed()
    check ScaFaCoS result for error condition
 ------------------------------------------------------------------------- */
 
-void Scafacos::check_result(void* result_p) 
+void Scafacos::check_result(void* result_p)
 {
   FCSResult result = *(FCSResult*)result_p;
 
   if (!result) return;
 
   std::stringstream ss;
-  ss << "ScaFaCoS: " << fcs_result_get_function(result) << "\n" 
+  ss << "ScaFaCoS: " << fcs_result_get_function(result) << "\n"
      << fcs_result_get_message(result) << "\n";
   fcs_result_destroy(result);
   std::string err_msg = ss.str();
@@ -477,4 +477,4 @@ void Scafacos::check_result(void* result_p)
 
   error->one(FLERR,str);
 }
- 
+
diff --git a/src/USER-SDPD/fix_meso_move.cpp b/src/USER-SDPD/fix_meso_move.cpp
index 4e591c9088..85b08a2af7 100644
--- a/src/USER-SDPD/fix_meso_move.cpp
+++ b/src/USER-SDPD/fix_meso_move.cpp
@@ -360,7 +360,7 @@ void FixMesoMove::init () {
 }
 
 void FixMesoMove::setup_pre_force (int /*vflag*/) {
-  // set vest equal to v 
+  // set vest equal to v
   double **v = atom->v;
   double **vest = atom->vest;
   int *mask = atom->mask;
diff --git a/src/USER-SDPD/fix_rigid_meso.cpp b/src/USER-SDPD/fix_rigid_meso.cpp
index 4889acd0de..49c9ca8614 100644
--- a/src/USER-SDPD/fix_rigid_meso.cpp
+++ b/src/USER-SDPD/fix_rigid_meso.cpp
@@ -20,7 +20,7 @@
 /* ----------------------------------------------------------------------
    Contributing author:
       Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
-    
+
     This is an extension of fix/rigid/nve to SPH/SDPD particles
     You can see the original copyright notice of fix/rigid authors above
     Note that the Kamberaj paper was related to the nvt variant
@@ -53,10 +53,10 @@ FixRigid (lmp, narg, arg) {
   if ((atom->e_flag != 1) || (atom->rho_flag != 1))
     error->all (FLERR, "fix rigid/meso command requires atom_style with"
                 " both energy and density");
-  
+
   if (langflag || tstat_flag)
     error->all (FLERR,"Can not use thermostat with fix rigid/meso");
-  
+
   if (pstat_flag)
     error->all (FLERR,"Can not use barostat with fix rigid/meso");
 
@@ -277,11 +277,11 @@ void FixRigidMeso::set_xv () {
 
   for (int i = 0; i < nlocal; i++) {
     if (body[i] < 0) continue;
-    
+
     // half-step update of particle internal energy and density
     e[i] += dtf * de[i];
     rho[i] += dtf * drho[i];
-    
+
     ibody = body[i];
 
     xbox = (xcmimage[i] & IMGMASK) - IMGMAX;
@@ -301,7 +301,7 @@ void FixRigidMeso::set_xv () {
         x2 = x[i][2] + zbox*zprd;
       }
     }
-    
+
     v0 = v[i][0];
     v1 = v[i][1];
     v2 = v[i][2];
@@ -319,7 +319,7 @@ void FixRigidMeso::set_xv () {
       vcm[ibody][1];
     v[i][2] = omega[ibody][0]*x[i][1] - omega[ibody][1]*x[i][0] +
       vcm[ibody][2];
-    
+
     vest[i][0] = 2*v[i][0] - v0;
     vest[i][1] = 2*v[i][1] - v1;
     vest[i][2] = 2*v[i][2] - v2;
@@ -406,11 +406,11 @@ void FixRigidMeso::set_v () {
 
   for (int i = 0; i < nlocal; i++) {
     if (body[i] < 0) continue;
-    
+
     // half-step update of particle internal energy and density
     e[i] += dtf * de[i];
     rho[i] += dtf * drho[i];
-    
+
     const int ibody = body[i];
 
     MathExtra::matvec (ex_space[ibody],ey_space[ibody],
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index 0350843eb7..7cfc950eff 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -14,7 +14,7 @@
 /* ----------------------------------------------------------------------
    Contributing author:
       Morteza Jalalvand (IASBS)  jalalvand.m AT gmail.com
-    
+
     references: Espanol and Revenga, Phys Rev E 67, 026705 (2003)
 ------------------------------------------------------------------------- */
 
@@ -169,7 +169,7 @@ void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
         wiener[0][0] = gaussian (generator);
         wiener[1][1] = gaussian (generator);
         wiener[2][2] = gaussian (generator);
-        
+
         wiener[0][1] = wiener[1][0] = sqrt_2_inv * gaussian (generator);
         wiener[0][2] = wiener[2][0] = sqrt_2_inv * gaussian (generator);
         wiener[1][2] = wiener[2][1] = sqrt_2_inv * gaussian (generator);
@@ -177,18 +177,18 @@ void PairSDPDTaitwaterIsothermal::compute (int eflag, int vflag) {
         wiener[0][0] = random->gaussian ();
         wiener[1][1] = random->gaussian ();
         wiener[2][2] = random->gaussian ();
-        
+
         wiener[0][1] = wiener[1][0] = sqrt_2_inv * random->gaussian ();
         wiener[0][2] = wiener[2][0] = sqrt_2_inv * random->gaussian ();
         wiener[1][2] = wiener[2][1] = sqrt_2_inv * random->gaussian ();
 #endif
-        
+
         prefactor = sqrt (-4. * kBoltzmann*temperature * fvisc * dtinv) / r;
-        
+
         f_random[0] = prefactor * (wiener[0][0]*delx + wiener[0][1]*dely + wiener[0][2]*delz);
         f_random[1] = prefactor * (wiener[1][0]*delx + wiener[1][1]*dely + wiener[1][2]*delz);
         f_random[2] = prefactor * (wiener[2][0]*delx + wiener[2][1]*dely + wiener[2][2]*delz);
-        
+
         f[i][0] += delx * fpair + (velx + delx * delVdotDelR / rsq) * fvisc + f_random[0];
         f[i][1] += dely * fpair + (vely + dely * delVdotDelR / rsq) * fvisc + f_random[1];
         f[i][2] += delz * fpair + (velz + delz * delVdotDelR / rsq) * fvisc + f_random[2];
@@ -241,13 +241,13 @@ void PairSDPDTaitwaterIsothermal::settings (int narg, char **arg) {
   if (narg != 2 && narg != 3)
     error->all (FLERR, "Illegal number of arguments for "
                 "pair_style sdpd/taitwater/morris/isothermal");
-  
+
   temperature = force->numeric (FLERR, arg[0]);
   viscosity = force->numeric (FLERR, arg[1]);
-  
+
   if (temperature <= 0) error->all (FLERR, "Temperature must be positive");
   if (viscosity <= 0) error->all (FLERR, "Viscosity must be positive");
-  
+
   // seed is immune to underflow/overflow because it is unsigned
   seed = comm->nprocs + comm->me + atom->nlocal;
   if (narg == 3) seed += force->inumeric (FLERR, arg[2]);
@@ -266,7 +266,7 @@ void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
   if (narg != 5)
     error->all (FLERR, "Incorrect args for pair_style "
                 "sph/taitwater/morris coefficients");
-  
+
   if (!allocated) allocate();
 
   int ilo, ihi, jlo, jhi;
@@ -277,7 +277,7 @@ void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
   double soundspeed_one = force->numeric (FLERR,arg[3]);
   double cut_one = force->numeric (FLERR,arg[4]);
   double B_one = soundspeed_one * soundspeed_one * rho0_one / 7.0;
-  
+
   if (rho0_one <= 0) error->all (FLERR, "Density must be positive");
   if (soundspeed_one <= 0) error->all (FLERR, "Sound speed must be positive");
   if (cut_one <= 0) error->all (FLERR, "Cutoff must be positive");
@@ -304,7 +304,7 @@ void PairSDPDTaitwaterIsothermal::coeff (int narg, char **arg) {
  ------------------------------------------------------------------------- */
 
 double PairSDPDTaitwaterIsothermal::init_one (int i, int j) {
-  if (setflag[i][j] == 0) 
+  if (setflag[i][j] == 0)
     error->all(FLERR,"Not all pair sph/taitwater/morris coeffs are set");
 
   cut[j][i] = cut[i][j];
diff --git a/src/USER-UEF/uef_utils.cpp b/src/USER-UEF/uef_utils.cpp
index a2e6cb291e..75d4ee8895 100644
--- a/src/USER-UEF/uef_utils.cpp
+++ b/src/USER-UEF/uef_utils.cpp
@@ -150,7 +150,7 @@ void UEFBox::step_deform(const double ex, const double ey)
   theta[0] +=winv[0][0]*ex + winv[0][1]*ey;
   theta[1] +=winv[1][0]*ex + winv[1][1]*ey;
 
-  // deformation of the box. reduce() needs to be called regularly or 
+  // deformation of the box. reduce() needs to be called regularly or
   // calculation will become unstable
 
   double eps[3];
@@ -169,7 +169,7 @@ void UEFBox::step_deform(const double ex, const double ey)
 ------------------------------------------------------------------------- */
 bool UEFBox::reduce()
 {
-  // determine how many times to apply the automorphisms and find new theta 
+  // determine how many times to apply the automorphisms and find new theta
   // values
 
   int f1 = round(theta[0]);
@@ -184,7 +184,7 @@ bool UEFBox::reduce()
     for (int j=0;j<3;j++)
       r0[k][j]=r[k][j];
 
-  // this modifies the old change basis matrix to handle the case where the 
+  // this modifies the old change basis matrix to handle the case where the
   // automorphism transforms the box but the reduced basis doesn't change
   // (r0 should still equal r at the end)
 
@@ -417,7 +417,7 @@ void make_unique(double b[3][3], int r[3][3], int ri[3][3])
   if (fabs(b[0][0]) < fabs(b[0][1])) {
     col_swap(b,0,1);
     col_swap(r,0,1);
-    col_swap(ri,0,1); 
+    col_swap(ri,0,1);
   }
   if (fabs(b[0][0]) < fabs(b[0][2])) {
     col_swap(b,0,2);
@@ -433,7 +433,7 @@ void make_unique(double b[3][3], int r[3][3], int ri[3][3])
   if (b[0][0] < 0) {
     neg_col(b,0);
     neg_col(r,0);
-    neg_col(ri,0); 
+    neg_col(ri,0);
   }
   if (b[1][1] < 0) {
     neg_col(b,1);
@@ -442,8 +442,8 @@ void make_unique(double b[3][3], int r[3][3], int ri[3][3])
   }
   if (det(b) < 0) {
     neg_col(b,2);
-    neg_col(r,2); 
-    neg_col(ri,2); 
+    neg_col(r,2);
+    neg_col(ri,2);
   }
 }
 }}

From 4af7e706d7099f391388831938d843446c54dab7 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 3 Dec 2018 14:59:43 -0500
Subject: [PATCH 242/273] correctly compute hash for temporary directory used
 by manual building

---
 doc/Makefile | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/Makefile b/doc/Makefile
index ca16176d60..fbb9de2d84 100644
--- a/doc/Makefile
+++ b/doc/Makefile
@@ -1,7 +1,7 @@
 # Makefile for LAMMPS documentation
 
-SHELL 	      = /bin/bash
-SHA1          = $(shell echo $USER-$PWD | python utils/sha1sum.py)
+SHELL         = /bin/bash
+SHA1          = $(shell echo ${USER}-${PWD} | python utils/sha1sum.py)
 BUILDDIR      = /tmp/lammps-docs-$(SHA1)
 RSTDIR        = $(BUILDDIR)/rst
 VENV          = $(BUILDDIR)/docenv

From 9ee076e4c72d830541ab7ecd0c42fa6ea6c26b23 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 4 Dec 2018 10:40:31 -0500
Subject: [PATCH 243/273] correct formatting of preformatted text

---
 doc/src/dump_modify.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/src/dump_modify.txt b/doc/src/dump_modify.txt
index 464caf714f..a600e04aa5 100644
--- a/doc/src/dump_modify.txt
+++ b/doc/src/dump_modify.txt
@@ -461,10 +461,10 @@ last snapshot.  This can be accomplished with something the following
 commands:
 
 variable        Dhop equal 0.6
-variable        check atom "c_dsp[4] > v_Dhop"
+variable        check atom "c_dsp\[4\] > v_Dhop"
 compute         dsp all displace/atom refresh check
 dump            1 all custom 20 tmp.dump id type x y z
-dump_modify     1 append yes thresh c_dsp[4] > ${Dhop} refresh c_dsp :pre
+dump_modify     1 append yes thresh c_dsp\[4\] > $\{Dhop\} refresh c_dsp :pre
 
 The "compute displace/atom"_compute_displace_atom.html command
 calculates the displacement of each atom from its reference position.

From e37436d6466c20ed8a9d01b5ec3f8e46d6c32bef Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Dec 2018 18:30:12 -0500
Subject: [PATCH 244/273] plug memory leak and avoid accessing uninitialized
 memory in virial computation and properly handle PPPM/Ewald cases that don't
 compute a virial

---
 doc/src/kspace_style.txt       |  4 ++-
 src/USER-SCAFACOS/scafacos.cpp | 52 ++++++++++++++++++++++------------
 2 files changed, 37 insertions(+), 19 deletions(-)

diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt
index d676beff16..049c3aa558 100644
--- a/doc/src/kspace_style.txt
+++ b/doc/src/kspace_style.txt
@@ -58,7 +58,7 @@ style = {none} or {ewald} or {ewald/disp} or {ewald/omp} or {pppm} or {pppm/cg}
     accuracy = desired relative error in forces
     smallq = cutoff for charges to be considered (optional) (charge units)
   {scafacos} values = method accuracy
-    method = fmm or p2nfft or ewald or direct
+    method = fmm or p2nfft or p3m or ewald or direct
     accuracy = desired relative error in forces :pre
 :ule
 
@@ -392,6 +392,8 @@ the same bond/angle/dihedral are weighted by the
 "special_bonds"_special_bonds.html command.  Likewise it does not
 support the "TIP4P water style" where a fictitious charge site is
 introduced in each water molecule.
+Finally, the methods {p3m} and {ewald} do not support computing the
+virial, so this contribution is not included.
 
 [Related commands:]
 
diff --git a/src/USER-SCAFACOS/scafacos.cpp b/src/USER-SCAFACOS/scafacos.cpp
index 8d2b69deee..4b8e10123c 100644
--- a/src/USER-SCAFACOS/scafacos.cpp
+++ b/src/USER-SCAFACOS/scafacos.cpp
@@ -100,6 +100,12 @@ void Scafacos::init()
   if (logfile && me == 0) fprintf(logfile,
                           "Setting up ScaFaCoS with solver %s ...\n",method);
 
+  if ((strcmp(method,"p3m") == 0) && (me == 0))
+    error->warning(FLERR,"Virial computation for P3M not available");
+
+  if ((strcmp(method,"ewald") == 0) && (me == 0))
+    error->warning(FLERR,"Virial computation for Ewald not available");
+
   if (!atom->q_flag)
     error->all(FLERR,"Kspace style requires atom attribute q");
 
@@ -143,8 +149,7 @@ void Scafacos::init()
     double *q = atom->q;
     int nlocal = atom->nlocal;
 
-    if (strcmp(method,"fmm") == 0)
-    {
+    if (strcmp(method,"fmm") == 0) {
       if (fmm_tuning_flag == 1)
         fcs_fmm_set_internal_tuning((FCS)fcs,FCS_FMM_INHOMOGENOUS_SYSTEM);
       else
@@ -152,8 +157,7 @@ void Scafacos::init()
     }
 
     // for the FMM at least one particle is required per process
-    if (strcmp(method,"fmm") == 0)
-    {
+    if (strcmp(method,"fmm") == 0) {
       int empty = (nlocal==0)?1:0;
       MPI_Allreduce(MPI_IN_PLACE,&empty,1,MPI_INT,MPI_SUM,world);
       if (empty > 0)
@@ -212,11 +216,15 @@ void Scafacos::compute(int eflag, int vflag)
     memory->create(efield,maxatom,3,"scafacos:efield");
   }
 
-  if (vflag_global)
-  {
-    fcs_set_compute_virial((FCS)fcs,1);
-    //if (strcmp(method,"p3m") == 0)
-    //  error->all(FLERR,"ScaFaCoS p3m does not support computation of virial");
+  if (vflag_global) {
+
+    // for P3M or Ewald we cannot compute the virial. skip it.
+
+    if ((strcmp(method,"p3m") != 0)
+        && (strcmp(method,"ewald") != 0)) {
+      result = fcs_set_compute_virial((FCS)fcs,1);
+      check_result((void*)&result);
+    }
   }
 
   // pack coords into xpbc and apply PBC
@@ -230,6 +238,7 @@ void Scafacos::compute(int eflag, int vflag)
       j += 3;
     }
   }
+
   // if simulation box has changed, call fcs_tune()
 
   if (box_has_changed()) {
@@ -245,15 +254,22 @@ void Scafacos::compute(int eflag, int vflag)
 
   // extract virial
 
-  if (vflag_global)
-  {
-    fcs_get_virial((FCS)fcs,virial_int);
-    virial[0] = virial_int[0];
-    virial[1] = virial_int[1];
-    virial[2] = virial_int[2];
-    virial[3] = virial_int[4];
-    virial[4] = virial_int[5];
-    virial[5] = virial_int[8];
+  if (vflag_global) {
+
+    // for P3M or Ewald we cannot compute the virial. skip it.
+
+    if ((strcmp(method,"p3m") != 0)
+        && (strcmp(method,"ewald") != 0)) {
+      result = fcs_get_virial((FCS)fcs,virial_int);
+      check_result((void*)&result);
+
+      virial[0] = virial_int[0];
+      virial[1] = virial_int[1];
+      virial[2] = virial_int[2];
+      virial[3] = virial_int[4];
+      virial[4] = virial_int[5];
+      virial[5] = virial_int[8];
+    }
   }
 
   // apply Efield to each particle

From e01ba84fd2289b4a42e3e1ccf6e32ba7db54a58c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Dec 2018 19:01:20 -0500
Subject: [PATCH 245/273] update log files for USER-SCAFACOS

---
 .../log.08Aug18.scafacos.cw.g++.ewald.16      |  92 ---------------
 .../log.08Aug18.scafacos.cw.g++.ewald.8       |  92 ---------------
 .../log.08Aug18.scafacos.cw.g++.fmm.16        |  99 ----------------
 .../log.08Aug18.scafacos.cw.g++.fmm.2         |  99 ----------------
 .../log.08Aug18.scafacos.cw.g++.fmm.4         |  99 ----------------
 .../log.08Aug18.scafacos.cw.g++.fmm.8         |  99 ----------------
 .../log.08Aug18.scafacos.cw.g++.p2nfft.16     |  92 ---------------
 .../log.08Aug18.scafacos.cw.g++.p2nfft.2      |  92 ---------------
 .../log.08Aug18.scafacos.cw.g++.p2nfft.8      |  92 ---------------
 .../log.08Aug18.scafacos.g++.ewald.16         | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.ewald.2 | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.ewald.8 | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.fmm.16  | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.fmm.2   | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.fmm.8   | 102 ----------------
 .../log.08Aug18.scafacos.g++.p2nfft.16        | 102 ----------------
 .../log.08Aug18.scafacos.g++.p2nfft.2         | 102 ----------------
 .../log.08Aug18.scafacos.g++.p2nfft.8         | 102 ----------------
 .../scafacos/log.08Aug18.scafacos.g++.p3m.2   |   0
 .../log.08Aug18.scafacos.hsph.g++.direct.2    | 105 -----------------
 .../log.08Aug18.scafacos.hsph.g++.direct.8    | 105 -----------------
 .../log.08Aug18.scafacos.hsph.g++.fmm.2       | 109 ------------------
 .../log.08Aug18.scafacos.hsph.g++.fmm.8       | 109 ------------------
 .../log.08Aug18.scafacos.hsph.g++.p2nfft.2    | 107 -----------------
 .../log.08Aug18.scafacos.hsph.g++.p2nfft.4    | 107 -----------------
 .../log.08Aug18.scafacos.hsph.g++.p2nfft.8    | 107 -----------------
 .../log.27Nov18.scafacos.cw.ewald.g++.1       |  92 +++++++++++++++
 .../log.27Nov18.scafacos.cw.ewald.g++.4       |  92 +++++++++++++++
 ...mm.1 => log.27Nov18.scafacos.cw.fmm.g++.1} |  49 ++++----
 .../log.27Nov18.scafacos.cw.fmm.g++.4         |  98 ++++++++++++++++
 ...1 => log.27Nov18.scafacos.cw.p2nfft.g++.1} |  43 ++++---
 ...4 => log.27Nov18.scafacos.cw.p2nfft.g++.4} |  43 ++++---
 .../log.27Nov18.scafacos.cw.p3m.g++.1         |  92 +++++++++++++++
 .../log.27Nov18.scafacos.cw.p3m.g++.4         |  92 +++++++++++++++
 ...ald.1 => log.27Nov18.scafacos.ewald.g++.1} |  26 ++---
 ...ald.4 => log.27Nov18.scafacos.ewald.g++.4} |  48 ++++----
 ...+.fmm.1 => log.27Nov18.scafacos.fmm.g++.1} |  25 ++--
 ...+.fmm.4 => log.27Nov18.scafacos.fmm.g++.4} |  25 ++--
 .../USER/scafacos/log.27Nov18.scafacos.g++.1  | 102 ++++++++++++++++
 .../USER/scafacos/log.27Nov18.scafacos.g++.4  | 102 ++++++++++++++++
 ...=> log.27Nov18.scafacos.hsph.direct.g++.1} |  73 ++++++------
 ...=> log.27Nov18.scafacos.hsph.direct.g++.4} |  85 +++++++-------
 ....1 => log.27Nov18.scafacos.hsph.fmm.g++.1} |  75 ++++++------
 ....4 => log.27Nov18.scafacos.hsph.fmm.g++.4} |  85 +++++++-------
 ...=> log.27Nov18.scafacos.hsph.p2nfft.g++.1} |  75 ++++++------
 .../log.27Nov18.scafacos.hsph.p2nfft.g++.4    | 106 +++++++++++++++++
 ...ft.1 => log.27Nov18.scafacos.p2nfft.g++.1} |  25 ++--
 ...ft.4 => log.27Nov18.scafacos.p2nfft.g++.4} |  25 ++--
 .../scafacos/log.27Nov18.scafacos.p3m.g++.1   | 102 ++++++++++++++++
 .../scafacos/log.27Nov18.scafacos.p3m.g++.4   | 102 ++++++++++++++++
 50 files changed, 1325 insertions(+), 2880 deletions(-)
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.16
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.8
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.16
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.2
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.4
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.8
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.16
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.2
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.8
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.16
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.2
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.8
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.16
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.2
 delete mode 100644 examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.8
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 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.4
 rename examples/USER/scafacos/{log.08Aug18.scafacos.cw.g++.fmm.1 => log.27Nov18.scafacos.cw.fmm.g++.1} (51%)
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.4
 rename examples/USER/scafacos/{log.08Aug18.scafacos.cw.g++.p2nfft.1 => log.27Nov18.scafacos.cw.p2nfft.g++.1} (64%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.cw.g++.p2nfft.4 => log.27Nov18.scafacos.cw.p2nfft.g++.4} (64%)
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.1
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.4
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.ewald.1 => log.27Nov18.scafacos.ewald.g++.1} (79%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.ewald.4 => log.27Nov18.scafacos.ewald.g++.4} (76%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.fmm.1 => log.27Nov18.scafacos.fmm.g++.1} (79%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.fmm.4 => log.27Nov18.scafacos.fmm.g++.4} (79%)
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.g++.1
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.g++.4
 rename examples/USER/scafacos/{log.08Aug18.scafacos.hsph.g++.direct.1 => log.27Nov18.scafacos.hsph.direct.g++.1} (69%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.hsph.g++.direct.4 => log.27Nov18.scafacos.hsph.direct.g++.4} (64%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.hsph.g++.fmm.1 => log.27Nov18.scafacos.hsph.fmm.g++.1} (65%)
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 rename examples/USER/scafacos/{log.08Aug18.scafacos.hsph.g++.p2nfft.1 => log.27Nov18.scafacos.hsph.p2nfft.g++.1} (52%)
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.4
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.p2nfft.1 => log.27Nov18.scafacos.p2nfft.g++.1} (80%)
 rename examples/USER/scafacos/{log.08Aug18.scafacos.g++.p2nfft.4 => log.27Nov18.scafacos.p2nfft.g++.4} (79%)
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.1
 create mode 100644 examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.4

diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.16 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.16
deleted file mode 100644
index 20d3faaf7f..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.16
+++ /dev/null
@@ -1,92 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-
-units		lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-kspace_style scafacos ewald  0.001
-kspace_modify scafacos tolerance field
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver ewald ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.313 | 3.501 | 3.689 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49647271            0   0.49647271            0            0 
-      10      300  0.051135063  0.014582562   0.44286522   0.02180093   0.46466616            0 0.0043601861 
-      20      300   0.10210872  0.058693359   0.37869251  0.087746571   0.46643909            0  0.017549314 
-      30      300   0.15278506   0.13468789   0.26730177    0.2013584   0.46866017            0  0.040271679 
-      40      300   0.19430375   0.50949535  0.083356437   0.76169555   0.84505198            0   0.15233911 
-      50      300   0.23220921    1.1731116 -0.055261984    1.7538018    1.6985399            0   0.35076037 
-      60      300   0.27002859    1.3589639  -0.33351524     2.031651    1.6981358            0    0.4063302 
-      70      300   0.30781388    1.6482648  -0.76570045    2.4641559    1.6984554            0   0.49283118 
-      80      300   0.34566283    2.8640899   -2.4038488    4.2818144    1.8779656            0   0.85636288 
-      90      300   0.38424087    93.168442   -2.5911448    139.28682    136.69568            0    27.857364 
-     100      300   0.42331123    94.146897   -1.3480439    140.74961    139.40157            0    28.149922 
-Loop time of 0.423331 on 16 procs for 100 steps with 300 atoms
-
-Performance: 102047.913 tau/day, 236.222 timesteps/s
-99.2% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.5988e-05 | 3.6508e-05 | 5.5075e-05 |   0.0 |  0.01
-Kspace  | 0.41852    | 0.41925    | 0.41976    |   0.1 | 99.04
-Neigh   | 0.00023413 | 0.00056887 | 0.0012875  |   0.0 |  0.13
-Comm    | 0.0019519  | 0.0022772  | 0.0027158  |   0.5 |  0.54
-Output  | 0.00028276 | 0.00030752 | 0.0003624  |   0.0 |  0.07
-Modify  | 8.3685e-05 | 0.0001286  | 0.00018764 |   0.0 |  0.03
-Other   |            | 0.000758   |            |       |  0.18
-
-Nlocal:    18.75 ave 39 max 6 min
-Histogram: 6 1 1 0 1 2 2 1 1 1
-Nghost:    122.812 ave 195 max 63 min
-Histogram: 8 0 0 0 0 0 0 1 3 4
-Neighs:    160.625 ave 598 max 13 min
-Histogram: 8 2 1 1 1 0 0 2 0 1
-
-Total # of neighbors = 2570
-Ave neighs/atom = 8.56667
-Neighbor list builds = 23
-Dangerous builds = 16
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.8 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.8
deleted file mode 100644
index d26138522a..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.ewald.8
+++ /dev/null
@@ -1,92 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-
-units		lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-kspace_style scafacos ewald  0.001
-kspace_modify scafacos tolerance field
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver ewald ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.317 | 3.317 | 3.317 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49647271            0   0.49647271            0            0 
-      10      300  0.057411432  0.014718629   0.45088339   0.02200435   0.47288774            0   0.00440087 
-      20      300   0.11482716   0.05922597   0.38470912  0.088542825   0.47325194            0  0.017708565 
-      30      300   0.17278481   0.13587829   0.27058048   0.20313804   0.47371852            0  0.040627608 
-      40      300   0.23021507   0.51353118  0.088432648   0.76772911   0.85616176            0   0.15354582 
-      50      300   0.28812647    1.1760001 -0.058088247    1.7581201    1.7000319            0   0.35162403 
-      60      300   0.34651113    1.3627885  -0.33736672    2.0373688    1.7000021            0   0.40747376 
-      70      300   0.40509939    1.6529365  -0.77082139    2.4711401    1.7003187            0   0.49422802 
-      80      300   0.46342874    2.9569837   -2.4624654    4.4206907    1.9582253            0   0.88413814 
-      90      300   0.52329254    81.642726   -2.5370215    122.05588    119.51885            0    24.411175 
-     100      300   0.58335209    85.047974    -1.128107    127.14672    126.01861            0    25.429344 
-Loop time of 0.583369 on 8 procs for 100 steps with 300 atoms
-
-Performance: 74052.598 tau/day, 171.418 timesteps/s
-99.7% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.0531e-05 | 4.6492e-05 | 4.8876e-05 |   0.0 |  0.01
-Kspace  | 0.57805    | 0.5785     | 0.57893    |   0.0 | 99.17
-Neigh   | 0.00062275 | 0.00091892 | 0.0013313  |   0.0 |  0.16
-Comm    | 0.002604   | 0.0028289  | 0.0031538  |   0.3 |  0.48
-Output  | 0.0002265  | 0.0002434  | 0.00029039 |   0.0 |  0.04
-Modify  | 0.00016117 | 0.00017747 | 0.00019884 |   0.0 |  0.03
-Other   |            | 0.00065    |            |       |  0.11
-
-Nlocal:    37.5 ave 46 max 31 min
-Histogram: 2 0 0 2 1 0 2 0 0 1
-Nghost:    203.875 ave 212 max 192 min
-Histogram: 1 0 1 0 0 2 1 0 0 3
-Neighs:    321.625 ave 599 max 112 min
-Histogram: 1 2 0 1 1 0 1 1 0 1
-
-Total # of neighbors = 2573
-Ave neighs/atom = 8.57667
-Neighbor list builds = 23
-Dangerous builds = 16
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.16 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.16
deleted file mode 100644
index c9c1e0d155..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.16
+++ /dev/null
@@ -1,99 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-units	    lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-kspace_style scafacos fmm 1.0e-3
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.313 | 3.501 | 3.689 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
-      10      300  0.023007393  0.015455559   0.47335833   0.02310606   0.49646439            0  0.020399823 
-      20      300  0.045746088   0.06229069   0.40334177  0.093124582   0.49646635            0  0.032069642 
-      30      300  0.068123341   0.14310163   0.28254277   0.21393694   0.49647971            0   0.05220548 
-      40      300  0.090359211   0.52929788  0.089669015   0.79130033   0.88096934            0   0.16124903 
-      50      300   0.11304998    1.1963022 -0.082792461    1.7884718    1.7056794            0   0.35493462 
-      60      300   0.13585806    1.3928167  -0.37659239     2.082261    1.7056686            0   0.40389911 
-      70      300   0.15867376    1.7069009  -0.84571914    2.5518169    1.7060978            0   0.48217274 
-      80      300   0.18324137    15.358343    -3.368063    22.960722    19.592659            0    4.4798757 
-      90      300   0.20960689    42.280432   -2.1623864    63.209247     61.04686            0     12.56977 
-     100      300   0.23539281     41.48079  -0.89904529    62.013782    61.114736            0    12.372788 
-Loop time of 0.235411 on 16 procs for 100 steps with 300 atoms
-
-Performance: 183509.107 tau/day, 424.790 timesteps/s
-97.9% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 3.2425e-05 | 4.4718e-05 | 6.1274e-05 |   0.0 |  0.02
-Kspace  | 0.23097    | 0.23143    | 0.2318     |   0.1 | 98.31
-Neigh   | 0.00015116 | 0.00035347 | 0.00075746 |   0.0 |  0.15
-Comm    | 0.0020316  | 0.002282   | 0.0025339  |   0.3 |  0.97
-Output  | 0.00034404 | 0.00037053 | 0.00042701 |   0.0 |  0.16
-Modify  | 9.3937e-05 | 0.00014532 | 0.00018811 |   0.0 |  0.06
-Other   |            | 0.0007878  |            |       |  0.33
-
-Nlocal:    18.75 ave 36 max 6 min
-Histogram: 4 3 1 0 0 1 2 1 2 2
-Nghost:    127 ave 196 max 71 min
-Histogram: 8 0 0 0 0 0 0 1 6 1
-Neighs:    153.688 ave 491 max 10 min
-Histogram: 8 1 1 1 1 1 0 0 0 3
-
-Total # of neighbors = 2459
-Ave neighs/atom = 8.19667
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.2 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.2
deleted file mode 100644
index 1a9bc77146..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.2
+++ /dev/null
@@ -1,99 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-units	    lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-kspace_style scafacos fmm 1.0e-3
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.354 | 3.354 | 3.355 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
-      10      300  0.038181543  0.015455559   0.47335833   0.02310606   0.49646439            0  0.020399823 
-      20      300  0.076276302   0.06229069   0.40334177  0.093124582   0.49646635            0  0.032069642 
-      30      300   0.11437607   0.14310163   0.28254277   0.21393694   0.49647971            0   0.05220548 
-      40      300   0.15244293   0.52929788  0.089669015   0.79130033   0.88096934            0   0.16124903 
-      50      300   0.19081283    1.1963022 -0.082792461    1.7884718    1.7056794            0   0.35493462 
-      60      300   0.22923493    1.3928167  -0.37659239     2.082261    1.7056686            0   0.40389911 
-      70      300   0.26754427    1.7069009  -0.84571914    2.5518169    1.7060978            0   0.48217274 
-      80      300   0.30721259    15.358343    -3.368063    22.960722    19.592659            0    4.4798757 
-      90      300   0.34865618    42.280432   -2.1623864    63.209247     61.04686            0     12.56977 
-     100      300   0.39100981     41.48079  -0.89904529    62.013782    61.114736            0    12.372788 
-Loop time of 0.391022 on 2 procs for 100 steps with 300 atoms
-
-Performance: 110479.760 tau/day, 255.740 timesteps/s
-99.6% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 8.0109e-05 | 8.1539e-05 | 8.297e-05  |   0.0 |  0.02
-Kspace  | 0.38534    | 0.38582    | 0.3863     |   0.1 | 98.67
-Neigh   | 0.0014851  | 0.0019699  | 0.0024548  |   1.1 |  0.50
-Comm    | 0.0019314  | 0.0020101  | 0.0020888  |   0.2 |  0.51
-Output  | 0.00014496 | 0.00017297 | 0.00020099 |   0.0 |  0.04
-Modify  | 0.0005033  | 0.00052273 | 0.00054216 |   0.0 |  0.13
-Other   |            | 0.0004461  |            |       |  0.11
-
-Nlocal:    150 ave 159 max 141 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    392 ave 395 max 389 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    1229.5 ave 1773 max 686 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 2459
-Ave neighs/atom = 8.19667
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.4 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.4
deleted file mode 100644
index eae3f2b840..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.4
+++ /dev/null
@@ -1,99 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-units	    lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-kspace_style scafacos fmm 1.0e-3
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
-      10      300  0.029414415  0.015455559   0.47335833   0.02310606   0.49646439            0  0.020399823 
-      20      300  0.058616877   0.06229069   0.40334177  0.093124582   0.49646635            0  0.032069642 
-      30      300  0.087769508   0.14310163   0.28254277   0.21393694   0.49647971            0   0.05220548 
-      40      300    0.1168611   0.52929788  0.089669015   0.79130033   0.88096934            0   0.16124903 
-      50      300   0.14482284    1.1963022 -0.082792461    1.7884718    1.7056794            0   0.35493462 
-      60      300   0.17198443    1.3928167  -0.37659239     2.082261    1.7056686            0   0.40389911 
-      70      300   0.19868851    1.7069009  -0.84571914    2.5518169    1.7060978            0   0.48217274 
-      80      300   0.22835517    15.358343    -3.368063    22.960722    19.592659            0    4.4798757 
-      90      300   0.26023602    42.280432   -2.1623864    63.209247     61.04686            0     12.56977 
-     100      300   0.29043221     41.48079  -0.89904529    62.013782    61.114736            0    12.372788 
-Loop time of 0.290448 on 4 procs for 100 steps with 300 atoms
-
-Performance: 148735.741 tau/day, 344.296 timesteps/s
-99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 5.9605e-05 | 6.187e-05  | 6.4135e-05 |   0.0 |  0.02
-Kspace  | 0.28551    | 0.28584    | 0.28604    |   0.0 | 98.41
-Neigh   | 0.00077796 | 0.0010615  | 0.0013225  |   0.7 |  0.37
-Comm    | 0.002372   | 0.0024325  | 0.002497   |   0.1 |  0.84
-Output  | 0.00025368 | 0.0002659  | 0.00029516 |   0.0 |  0.09
-Modify  | 0.00030279 | 0.00031865 | 0.00033021 |   0.0 |  0.11
-Other   |            | 0.0004706  |            |       |  0.16
-
-Nlocal:    75 ave 81 max 70 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Nghost:    282.5 ave 290 max 274 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-Neighs:    614.75 ave 981 max 285 min
-Histogram: 1 1 0 0 0 0 0 1 0 1
-
-Total # of neighbors = 2459
-Ave neighs/atom = 8.19667
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.8 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.8
deleted file mode 100644
index feb7e2a5a6..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.8
+++ /dev/null
@@ -1,99 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-units	    lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-kspace_style scafacos fmm 1.0e-3
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.317 | 3.317 | 3.317 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
-      10      300  0.026465416  0.015455559   0.47335833   0.02310606   0.49646439            0  0.020399823 
-      20      300  0.057377338   0.06229069   0.40334177  0.093124582   0.49646635            0  0.032069642 
-      30      300  0.088356495   0.14310163   0.28254277   0.21393694   0.49647971            0   0.05220548 
-      40      300   0.11900806   0.52929788  0.089669015   0.79130033   0.88096934            0   0.16124903 
-      50      300   0.15157914    1.1963022 -0.082792461    1.7884718    1.7056794            0   0.35493462 
-      60      300   0.18608141    1.3928167  -0.37659239     2.082261    1.7056686            0   0.40389911 
-      70      300   0.21956491    1.7069009  -0.84571914    2.5518169    1.7060978            0   0.48217274 
-      80      300   0.24269128    15.358343    -3.368063    22.960722    19.592659            0    4.4798757 
-      90      300   0.26847005    42.280432   -2.1623864    63.209247     61.04686            0     12.56977 
-     100      300   0.29283834     41.48079  -0.89904529    62.013782    61.114736            0    12.372788 
-Loop time of 0.292855 on 8 procs for 100 steps with 300 atoms
-
-Performance: 147513.337 tau/day, 341.466 timesteps/s
-98.4% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.7207e-05 | 5.5045e-05 | 6.9618e-05 |   0.0 |  0.02
-Kspace  | 0.28739    | 0.28773    | 0.2881     |   0.0 | 98.25
-Neigh   | 0.00040698 | 0.00060901 | 0.00082922 |   0.0 |  0.21
-Comm    | 0.0029533  | 0.0031788  | 0.0034056  |   0.3 |  1.09
-Output  | 0.00029063 | 0.00030866 | 0.00035119 |   0.0 |  0.11
-Modify  | 0.00018978 | 0.00022188 | 0.00026703 |   0.0 |  0.08
-Other   |            | 0.0007486  |            |       |  0.26
-
-Nlocal:    37.5 ave 45 max 31 min
-Histogram: 1 1 1 1 1 0 1 0 1 1
-Nghost:    200 ave 209 max 189 min
-Histogram: 1 0 0 0 1 4 0 0 0 2
-Neighs:    307.375 ave 514 max 115 min
-Histogram: 2 1 0 1 1 0 0 0 1 2
-
-Total # of neighbors = 2459
-Ave neighs/atom = 8.19667
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.16 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.16
deleted file mode 100644
index d6e7cbea37..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.16
+++ /dev/null
@@ -1,92 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-
-units		lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-kspace_style scafacos p2nfft  0.001
-kspace_modify scafacos tolerance field
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.313 | 3.501 | 3.689 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
-      10      300  0.015678644  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
-      20      300  0.031283855  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
-      30      300  0.046878099   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
-      40      300  0.062416077   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
-      50      300  0.078029871    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
-      60      300  0.093806505    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
-      70      300    0.1096344    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
-      80      300   0.12532592    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
-      90      300   0.14175463    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
-     100      300   0.15838337    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
-Loop time of 0.158406 on 16 procs for 100 steps with 300 atoms
-
-Performance: 272716.448 tau/day, 631.288 timesteps/s
-99.4% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 2.718e-05  | 3.7491e-05 | 5.6744e-05 |   0.0 |  0.02
-Kspace  | 0.15435    | 0.15482    | 0.15516    |   0.1 | 97.74
-Neigh   | 0.00014806 | 0.0003508  | 0.00074744 |   0.0 |  0.22
-Comm    | 0.0016866  | 0.0019967  | 0.0023787  |   0.5 |  1.26
-Output  | 0.00027871 | 0.00033027 | 0.00038028 |   0.0 |  0.21
-Modify  | 8.0347e-05 | 0.00011933 | 0.00016522 |   0.0 |  0.08
-Other   |            | 0.0007506  |            |       |  0.47
-
-Nlocal:    18.75 ave 33 max 6 min
-Histogram: 2 6 0 0 0 0 2 1 2 3
-Nghost:    128.875 ave 198 max 71 min
-Histogram: 7 1 0 0 0 0 0 1 5 2
-Neighs:    153.812 ave 490 max 14 min
-Histogram: 8 0 3 0 1 1 0 0 1 2
-
-Total # of neighbors = 2461
-Ave neighs/atom = 8.20333
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.2 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.2
deleted file mode 100644
index fb863797f3..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.2
+++ /dev/null
@@ -1,92 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-
-units		lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-kspace_style scafacos p2nfft  0.001
-kspace_modify scafacos tolerance field
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.354 | 3.354 | 3.355 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
-      10      300  0.044083834  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
-      20      300  0.088379145  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
-      30      300   0.13264704   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
-      40      300   0.17687225   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
-      50      300   0.22116137    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
-      60      300   0.26515126    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
-      70      300   0.30891085    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
-      80      300   0.35292292    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
-      90      300   0.39845228    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
-     100      300   0.44492316    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
-Loop time of 0.444937 on 2 procs for 100 steps with 300 atoms
-
-Performance: 97092.373 tau/day, 224.751 timesteps/s
-100.0% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 7.7248e-05 | 7.844e-05  | 7.9632e-05 |   0.0 |  0.02
-Kspace  | 0.43932    | 0.43979    | 0.44026    |   0.1 | 98.84
-Neigh   | 0.0014915  | 0.0019662  | 0.0024409  |   1.1 |  0.44
-Comm    | 0.0019331  | 0.0019941  | 0.0020552  |   0.1 |  0.45
-Output  | 0.00013781 | 0.00016308 | 0.00018835 |   0.0 |  0.04
-Modify  | 0.00050378 | 0.00050449 | 0.00050521 |   0.0 |  0.11
-Other   |            | 0.0004425  |            |       |  0.10
-
-Nlocal:    150 ave 157 max 143 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    399 ave 402 max 396 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    1230.5 ave 1756 max 705 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 2461
-Ave neighs/atom = 8.20333
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.8 b/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.8
deleted file mode 100644
index a6f9228673..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.8
+++ /dev/null
@@ -1,92 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-
-units		lj
-atom_style  charge
-
-read_data data.cloud_wall
-  orthogonal box = (0 0 0) to (10 10 10)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  300 atoms
-
-velocity	all set 0.0 0.0 0.0 mom no
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix     1 all nve
-kspace_style scafacos p2nfft  0.001
-kspace_modify scafacos tolerance field
-
-timestep	0.005
-
-thermo_style custom step atoms cpu temp pe ke etotal ecoul press
-
-run_style verlet
-
-#dump simple all custom 1000 id x y z vx vy vz
-#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
-#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
-#dump_modify dmpvtk pad 7
-
-thermo 10
-run	100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 10 10 10
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.317 | 3.317 | 3.317 Mbytes
-Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
-       0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
-      10      300   0.01961565  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
-      20      300  0.039346695  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
-      30      300  0.059037447   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
-      40      300  0.078732729   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
-      50      300  0.098586798    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
-      60      300   0.11857247    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
-      70      300    0.1385541    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
-      80      300   0.15850091    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
-      90      300   0.17892075    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
-     100      300   0.19964767    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
-Loop time of 0.199664 on 8 procs for 100 steps with 300 atoms
-
-Performance: 216363.074 tau/day, 500.840 timesteps/s
-99.4% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 4.5061e-05 | 4.7535e-05 | 5.3167e-05 |   0.0 |  0.02
-Kspace  | 0.19551    | 0.19584    | 0.19611    |   0.0 | 98.08
-Neigh   | 0.00041366 | 0.00060952 | 0.00082064 |   0.0 |  0.31
-Comm    | 0.0021496  | 0.0022282  | 0.0024025  |   0.2 |  1.12
-Output  | 0.0002346  | 0.00024167 | 0.00027847 |   0.0 |  0.12
-Modify  | 0.00016665 | 0.00017652 | 0.0001924  |   0.0 |  0.09
-Other   |            | 0.0005245  |            |       |  0.26
-
-Nlocal:    37.5 ave 42 max 33 min
-Histogram: 2 1 0 1 0 0 1 0 1 2
-Nghost:    202.25 ave 212 max 194 min
-Histogram: 1 0 2 1 0 2 0 1 0 1
-Neighs:    307.625 ave 505 max 129 min
-Histogram: 3 0 0 1 1 0 0 0 1 2
-
-Total # of neighbors = 2461
-Ave neighs/atom = 8.20333
-Neighbor list builds = 15
-Dangerous builds = 0
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.16 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.16
deleted file mode 100644
index 2fc46da3cd..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.16
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 4 MPI processor grid
-  4096 atoms
-  Time spent = 0.000462294 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos ewald 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver ewald ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.501 | 3.501 | 3.501 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475938            0   0.50185691         -nan 
-      10     1.500011    -1.747529            0   0.50193816         -nan 
-      20    1.5000023   -1.7475152            0   0.50193898         -nan 
-      30    1.4999308    -1.747404            0   0.50194285         -nan 
-      40    1.4997722   -1.7471622            0   0.50194686         -nan 
-      50    1.4995835    -1.746878            0   0.50194808         -nan 
-      60    1.4996054   -1.7469114            0   0.50194749         -nan 
-      70    1.5004341   -1.7481558            0   0.50194592         -nan 
-      80    1.5033218   -1.7524875            0   0.50194458         -nan 
-      90    1.5108306   -1.7637462            0   0.50194636         -nan 
-     100    1.5292479   -1.7913449            0   0.50196695         -nan 
-Loop time of 80.2777 on 16 procs for 100 steps with 4096 atoms
-
-Performance: 538.132 tau/day, 1.246 timesteps/s
-99.8% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0003705  | 0.00039807 | 0.00048542 |   0.0 |  0.00
-Kspace  | 80.262     | 80.263     | 80.264     |   0.0 | 99.98
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.010191   | 0.011419   | 0.012416   |   0.6 |  0.01
-Output  | 0.00028253 | 0.00033158 | 0.0004065  |   0.0 |  0.00
-Modify  | 0.00082541 | 0.0008464  | 0.00087833 |   0.0 |  0.00
-Other   |            | 0.001511   |            |       |  0.00
-
-Nlocal:    256 ave 256 max 256 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Nghost:    2816 ave 2816 max 2816 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Neighs:    32768 ave 32768 max 32768 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:01:22
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.2 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.2
deleted file mode 100644
index b6bf41de24..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.2
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  1 by 1 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.000344753 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos ewald 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver ewald ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.574 | 4.574 | 4.574 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475938            0   0.50185691     11.99707 
-      10     1.500011    -1.747529            0   0.50193816    11.997158 
-      20    1.5000023   -1.7475152            0   0.50193898    11.997089 
-      30    1.4999308    -1.747404            0   0.50194285    11.996517 
-      40    1.4997722   -1.7471622            0   0.50194686    11.995248 
-      50    1.4995835    -1.746878            0   0.50194808    11.993739 
-      60    1.4996054   -1.7469114            0   0.50194749    11.993914 
-      70    1.5004341   -1.7481558            0   0.50194592    12.000543 
-      80    1.5033218   -1.7524875            0   0.50194458    12.023638 
-      90    1.5108306   -1.7637462            0   0.50194636    12.083694 
-     100    1.5292479   -1.7913449            0   0.50196695    12.230996 
-Loop time of 566.796 on 2 procs for 100 steps with 4096 atoms
-
-Performance: 76.218 tau/day, 0.176 timesteps/s
-100.0% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0010231  | 0.0010413  | 0.0010595  |   0.1 |  0.00
-Kspace  | 566.77     | 566.77     | 566.77     |   0.0 | 99.99
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.019707   | 0.01982    | 0.019932   |   0.1 |  0.00
-Output  | 0.0002656  | 0.00029266 | 0.00031972 |   0.0 |  0.00
-Modify  | 0.0055575  | 0.0055707  | 0.0055838  |   0.0 |  0.00
-Other   |            | 0.002497   |            |       |  0.00
-
-Nlocal:    2048 ave 2048 max 2048 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Nghost:    7168 ave 7168 max 7168 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Neighs:    262144 ave 262144 max 262144 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:09:38
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.8 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.8
deleted file mode 100644
index 4a1a5b91ed..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.8
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.000232935 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos ewald 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver ewald ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.508 | 3.508 | 3.508 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475938            0   0.50185691         -nan 
-      10     1.500011    -1.747529            0   0.50193816         -nan 
-      20    1.5000023   -1.7475152            0   0.50193898         -nan 
-      30    1.4999308    -1.747404            0   0.50194285         -nan 
-      40    1.4997722   -1.7471622            0   0.50194686         -nan 
-      50    1.4995835    -1.746878            0   0.50194808         -nan 
-      60    1.4996054   -1.7469114            0   0.50194749         -nan 
-      70    1.5004341   -1.7481558            0   0.50194592         -nan 
-      80    1.5033218   -1.7524875            0   0.50194458         -nan 
-      90    1.5108306   -1.7637462            0   0.50194636         -nan 
-     100    1.5292479   -1.7913449            0   0.50196695         -nan 
-Loop time of 154.44 on 8 procs for 100 steps with 4096 atoms
-
-Performance: 279.720 tau/day, 0.647 timesteps/s
-99.9% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00049257 | 0.00051311 | 0.00059295 |   0.0 |  0.00
-Kspace  | 154.42     | 154.42     | 154.42     |   0.0 | 99.99
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.012076   | 0.013177   | 0.014308   |   0.8 |  0.01
-Output  | 0.00025177 | 0.00028065 | 0.00030136 |   0.0 |  0.00
-Modify  | 0.0015776  | 0.0017182  | 0.0018268  |   0.2 |  0.00
-Other   |            | 0.001309   |            |       |  0.00
-
-Nlocal:    512 ave 512 max 512 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Nghost:    3584 ave 3584 max 3584 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Neighs:    65536 ave 65536 max 65536 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:02:38
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.16 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.16
deleted file mode 100644
index 4bd0c3d4f3..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.16
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 4 MPI processor grid
-  4096 atoms
-  Time spent = 0.000400543 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos fmm 0.001
-kspace_modify    scafacos tolerance energy
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.501 | 3.501 | 3.501 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475646            0   0.50188608     10.44368 
-      10    1.5000016   -1.7475671            0   0.50188602     10.44369 
-      20    1.4999827   -1.7475388            0   0.50188592    10.443564 
-      30    1.4999016   -1.7474173            0    0.5018858    10.443023 
-      40    1.4997356   -1.7471685            0   0.50188572    10.441917 
-      50    1.4995414   -1.7468771            0    0.5018858    10.440623 
-      60    1.4995587   -1.7469027            0   0.50188622    10.440739 
-      70    1.5003837   -1.7481389            0   0.50188727    10.446238 
-      80    1.5032684   -1.7524625            0   0.50188958    10.465466 
-      90    1.5107749    -1.763714            0   0.50189507    10.515502 
-     100      1.52919    -1.791306            0   0.50191895    10.638261 
-Loop time of 4.23774 on 16 procs for 100 steps with 4096 atoms
-
-Performance: 10194.102 tau/day, 23.597 timesteps/s
-99.6% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00038028 | 0.00040729 | 0.00046206 |   0.0 |  0.01
-Kspace  | 4.2206     | 4.2211     | 4.2216     |   0.0 | 99.61
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.011439   | 0.012491   | 0.013172   |   0.4 |  0.29
-Output  | 0.00042915 | 0.000489   | 0.00061274 |   0.0 |  0.01
-Modify  | 0.00093102 | 0.00099151 | 0.0010982  |   0.0 |  0.02
-Other   |            | 0.002255   |            |       |  0.05
-
-Nlocal:    256 ave 256 max 256 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Nghost:    2816 ave 2816 max 2816 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Neighs:    32768 ave 32768 max 32768 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:06
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.2 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.2
deleted file mode 100644
index 50dcc99393..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.2
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  1 by 1 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.0003407 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos fmm 0.001
-kspace_modify    scafacos tolerance energy
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.574 | 4.574 | 4.574 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475646            0   0.50188608     10.44368 
-      10    1.5000016   -1.7475671            0   0.50188602     10.44369 
-      20    1.4999827   -1.7475388            0   0.50188592    10.443564 
-      30    1.4999016   -1.7474173            0    0.5018858    10.443023 
-      40    1.4997356   -1.7471685            0   0.50188572    10.441917 
-      50    1.4995414   -1.7468771            0    0.5018858    10.440623 
-      60    1.4995587   -1.7469027            0   0.50188622    10.440739 
-      70    1.5003837   -1.7481389            0   0.50188727    10.446238 
-      80    1.5032684   -1.7524625            0   0.50188958    10.465466 
-      90    1.5107749    -1.763714            0   0.50189507    10.515502 
-     100      1.52919    -1.791306            0   0.50191895    10.638261 
-Loop time of 17.9401 on 2 procs for 100 steps with 4096 atoms
-
-Performance: 2408.014 tau/day, 5.574 timesteps/s
-99.9% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0010042  | 0.0010235  | 0.0010428  |   0.1 |  0.01
-Kspace  | 17.912     | 17.912     | 17.912     |   0.0 | 99.84
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.018252   | 0.018528   | 0.018804   |   0.2 |  0.10
-Output  | 0.00034094 | 0.00035989 | 0.00037885 |   0.0 |  0.00
-Modify  | 0.0055602  | 0.0056567  | 0.0057533  |   0.1 |  0.03
-Other   |            | 0.002716   |            |       |  0.02
-
-Nlocal:    2048 ave 2048 max 2048 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Nghost:    7168 ave 7168 max 7168 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Neighs:    262144 ave 262144 max 262144 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:19
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.8 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.8
deleted file mode 100644
index 02a5528c59..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.8
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.000236988 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos fmm 0.001
-kspace_modify    scafacos tolerance energy
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.508 | 3.508 | 3.508 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475646            0   0.50188608     10.44368 
-      10    1.5000016   -1.7475671            0   0.50188602     10.44369 
-      20    1.4999827   -1.7475388            0   0.50188592    10.443564 
-      30    1.4999016   -1.7474173            0    0.5018858    10.443023 
-      40    1.4997356   -1.7471685            0   0.50188572    10.441917 
-      50    1.4995414   -1.7468771            0    0.5018858    10.440623 
-      60    1.4995587   -1.7469027            0   0.50188622    10.440739 
-      70    1.5003837   -1.7481389            0   0.50188727    10.446238 
-      80    1.5032684   -1.7524625            0   0.50188958    10.465466 
-      90    1.5107749    -1.763714            0   0.50189507    10.515502 
-     100      1.52919    -1.791306            0   0.50191895    10.638261 
-Loop time of 5.96037 on 8 procs for 100 steps with 4096 atoms
-
-Performance: 7247.876 tau/day, 16.777 timesteps/s
-99.8% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00049591 | 0.0005368  | 0.00056005 |   0.0 |  0.01
-Kspace  | 5.94       | 5.941      | 5.9419     |   0.0 | 99.68
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.013702   | 0.014631   | 0.015768   |   0.6 |  0.25
-Output  | 0.00044751 | 0.00048846 | 0.00058961 |   0.0 |  0.01
-Modify  | 0.0016675  | 0.0017205  | 0.0017893  |   0.1 |  0.03
-Other   |            | 0.001971   |            |       |  0.03
-
-Nlocal:    512 ave 512 max 512 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Nghost:    3584 ave 3584 max 3584 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Neighs:    65536 ave 65536 max 65536 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:07
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.16 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.16
deleted file mode 100644
index 6e6e8f6e94..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.16
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 4 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 4 MPI processor grid
-  4096 atoms
-  Time spent = 0.000361443 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.501 | 3.501 | 3.501 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7477245            0   0.50172614    10.443537 
-      10    1.5000176   -1.7475898            0   0.50188725    10.443798 
-      20    1.5000161   -1.7475262            0   0.50194874    10.443843 
-      30    1.4999486   -1.7474019            0   0.50197176    10.443413 
-      40    1.4997889   -1.7471525            0   0.50198161    10.442357 
-      50    1.4995945   -1.7468614            0   0.50198122    10.441061 
-      60     1.499609   -1.7468813            0   0.50198309     10.44116 
-      70    1.5004314   -1.7481179            0   0.50197962    10.446638 
-      80    1.5033149   -1.7524495            0   0.50197233     10.46585 
-      90    1.5108219   -1.7637095            0   0.50197005    10.515883 
-     100     1.529239   -1.7913105            0     0.501988    10.638649 
-Loop time of 1.56685 on 16 procs for 100 steps with 4096 atoms
-
-Performance: 27571.239 tau/day, 63.822 timesteps/s
-99.8% CPU use with 16 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00036407 | 0.00040755 | 0.00047517 |   0.0 |  0.03
-Kspace  | 1.5521     | 1.553      | 1.5536     |   0.0 | 99.12
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.009537   | 0.010175   | 0.011894   |   0.6 |  0.65
-Output  | 0.000319   | 0.00039139 | 0.00052881 |   0.0 |  0.02
-Modify  | 0.00086999 | 0.00097834 | 0.0010362  |   0.0 |  0.06
-Other   |            | 0.001859   |            |       |  0.12
-
-Nlocal:    256 ave 256 max 256 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Nghost:    2816 ave 2816 max 2816 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-Neighs:    32768 ave 32768 max 32768 min
-Histogram: 16 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.2 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.2
deleted file mode 100644
index 72a53c48ff..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.2
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  1 by 1 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.0003438 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.574 | 4.574 | 4.574 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7477245            0   0.50172614    10.443537 
-      10    1.5000176   -1.7475898            0   0.50188725    10.443798 
-      20    1.5000161   -1.7475262            0   0.50194874    10.443843 
-      30    1.4999486   -1.7474019            0   0.50197176    10.443413 
-      40    1.4997889   -1.7471525            0   0.50198161    10.442357 
-      50    1.4995945   -1.7468614            0   0.50198122    10.441061 
-      60     1.499609   -1.7468813            0   0.50198309     10.44116 
-      70    1.5004314   -1.7481179            0   0.50197962    10.446638 
-      80    1.5033149   -1.7524495            0   0.50197233     10.46585 
-      90    1.5108219   -1.7637095            0   0.50197005    10.515883 
-     100     1.529239   -1.7913105            0     0.501988    10.638649 
-Loop time of 9.38943 on 2 procs for 100 steps with 4096 atoms
-
-Performance: 4600.920 tau/day, 10.650 timesteps/s
-99.9% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0010064  | 0.0010065  | 0.0010066  |   0.0 |  0.01
-Kspace  | 9.3602     | 9.3603     | 9.3604     |   0.0 | 99.69
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.019444   | 0.01968    | 0.019916   |   0.2 |  0.21
-Output  | 0.00033355 | 0.00035357 | 0.0003736  |   0.0 |  0.00
-Modify  | 0.0055819  | 0.0056176  | 0.0056534  |   0.0 |  0.06
-Other   |            | 0.002495   |            |       |  0.03
-
-Nlocal:    2048 ave 2048 max 2048 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Nghost:    7168 ave 7168 max 7168 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-Neighs:    262144 ave 262144 max 262144 min
-Histogram: 2 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:11
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.8 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.8
deleted file mode 100644
index b5e889dfc1..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.8
+++ /dev/null
@@ -1,102 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.NaCl
-  orthogonal box = (0 0 0) to (1 1 1)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  8 atoms
-
-replicate 8 8 8
-  orthogonal box = (0 0 0) to (8 8 8)
-  2 by 2 by 2 MPI processor grid
-  4096 atoms
-  Time spent = 0.000324488 secs
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify    scafacos tolerance field
-
-timestep	0.005
-thermo          10
-
-run		100
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 3.508 | 3.508 | 3.508 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7477245            0   0.50172614    10.443537 
-      10    1.5000176   -1.7475898            0   0.50188725    10.443798 
-      20    1.5000161   -1.7475262            0   0.50194874    10.443843 
-      30    1.4999486   -1.7474019            0   0.50197176    10.443413 
-      40    1.4997889   -1.7471525            0   0.50198161    10.442357 
-      50    1.4995945   -1.7468614            0   0.50198122    10.441061 
-      60     1.499609   -1.7468813            0   0.50198309     10.44116 
-      70    1.5004314   -1.7481179            0   0.50197962    10.446638 
-      80    1.5033149   -1.7524495            0   0.50197233     10.46585 
-      90    1.5108219   -1.7637095            0   0.50197005    10.515883 
-     100     1.529239   -1.7913105            0     0.501988    10.638649 
-Loop time of 2.88506 on 8 procs for 100 steps with 4096 atoms
-
-Performance: 14973.700 tau/day, 34.661 timesteps/s
-99.6% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.000489   | 0.00051507 | 0.00052857 |   0.0 |  0.02
-Kspace  | 2.8657     | 2.866      | 2.8664     |   0.0 | 99.34
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.014354   | 0.014851   | 0.015097   |   0.2 |  0.51
-Output  | 0.00037169 | 0.00042769 | 0.00054169 |   0.0 |  0.01
-Modify  | 0.0015774  | 0.0016578  | 0.0018044  |   0.2 |  0.06
-Other   |            | 0.001645   |            |       |  0.06
-
-Nlocal:    512 ave 512 max 512 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Nghost:    3584 ave 3584 max 3584 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-Neighs:    65536 ave 65536 max 65536 min
-Histogram: 8 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 524288
-Ave neighs/atom = 128
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:00:03
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p3m.2 b/examples/USER/scafacos/log.08Aug18.scafacos.g++.p3m.2
deleted file mode 100644
index e69de29bb2..0000000000
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.2 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.2
deleted file mode 100644
index 1ffab0ca6a..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.2
+++ /dev/null
@@ -1,105 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos direct 0.001
-
-timestep	0.005
-thermo          1
-run		20
-Setting up ScaFaCoS with solver direct ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.48 | 6.861 | 7.243 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777512            0    272.51604   0.17462195 
-       5    286.36222    -4.382053            0    424.73173   0.26918926 
-       6    481.42206   -4.3095567            0     717.1014   0.45274088 
-       7    488.59167   -3.8685194            0     728.2861   0.45956866 
-       8    497.85287   -3.0417966            0    742.99073   0.46838116 
-       9    499.61615    -3.419003            0     745.2558   0.46983345 
-      10    502.63684   -2.8360961            0    750.36521   0.47280809 
-      11     504.4846   -2.7628105            0    753.20736   0.47462793 
-      12    506.54485   -2.8460356            0    756.21142   0.47651441 
-      13    508.27211    -2.730935            0    758.91482   0.47813752 
-      14    510.57045   -2.6094877            0    762.48033   0.48031431 
-      15    513.14798   -2.7150827            0    766.23717   0.48275229 
-      16    515.78124   -2.3961811            0    770.50201   0.48526333 
-      17    515.70265   -2.2982683            0    770.48215   0.48526617 
-      18     515.7081   -2.1515983            0    770.63699   0.48530393 
-      19    515.74906   -2.0581436            0    770.79182   0.48530977 
-      20    515.70883   -1.8922577            0    770.89742   0.48527105 
-Loop time of 0.284007 on 2 procs for 20 steps with 1000 atoms
-
-Performance: 30421.778 tau/day, 70.421 timesteps/s
-99.1% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00022578 | 0.00022626 | 0.00022674 |   0.0 |  0.08
-Kspace  | 0.18253    | 0.20503    | 0.22752    |   5.0 | 72.19
-Neigh   | 0.05363    | 0.076239   | 0.098848   |   8.2 | 26.84
-Comm    | 0.0014737  | 0.0016443  | 0.0018148  |   0.4 |  0.58
-Output  | 0.000247   | 0.00032353 | 0.00040007 |   0.0 |  0.11
-Modify  | 0.00029159 | 0.00029731 | 0.00030303 |   0.0 |  0.10
-Other   |            | 0.0002506  |            |       |  0.09
-
-Nlocal:    500 ave 516 max 484 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    456.5 ave 475 max 438 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    123908 ave 172139 max 75678 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 247817
-Ave neighs/atom = 247.817
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.8 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.8
deleted file mode 100644
index e72ade73b5..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.8
+++ /dev/null
@@ -1,105 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos direct 0.001
-
-timestep	0.005
-thermo          1
-run		20
-Setting up ScaFaCoS with solver direct ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.164 | 4.26 | 4.546 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777512            0    272.51604   0.17462195 
-       5    286.36222    -4.382053            0    424.73173   0.26918926 
-       6    481.42206   -4.3095567            0     717.1014   0.45274088 
-       7    488.59167   -3.8685194            0     728.2861   0.45956866 
-       8    497.85287   -3.0417966            0    742.99073   0.46838116 
-       9    499.61615    -3.419003            0     745.2558   0.46983345 
-      10    502.63684   -2.8360961            0    750.36521   0.47280809 
-      11     504.4846   -2.7628105            0    753.20736   0.47462793 
-      12    506.54485   -2.8460356            0    756.21142   0.47651441 
-      13    508.27211    -2.730935            0    758.91482   0.47813752 
-      14    510.57045   -2.6094877            0    762.48033   0.48031431 
-      15    513.14798   -2.7150827            0    766.23717   0.48275229 
-      16    515.78124   -2.3961811            0    770.50201   0.48526333 
-      17    515.70265   -2.2982683            0    770.48215   0.48526617 
-      18     515.7081   -2.1515983            0    770.63699   0.48530393 
-      19    515.74906   -2.0581436            0    770.79182   0.48530977 
-      20    515.70883   -1.8922577            0    770.89742   0.48527105 
-Loop time of 0.0883947 on 8 procs for 20 steps with 1000 atoms
-
-Performance: 97743.448 tau/day, 226.258 timesteps/s
-99.2% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0002284  | 0.00024167 | 0.00029922 |   0.0 |  0.27
-Kspace  | 0.055725   | 0.063153   | 0.071883   |   2.4 | 71.44
-Neigh   | 0.012251   | 0.021348   | 0.029026   |   4.3 | 24.15
-Comm    | 0.0025573  | 0.0029825  | 0.0034359  |   0.5 |  3.37
-Output  | 0.00034451 | 0.00044149 | 0.00057721 |   0.0 |  0.50
-Modify  | 7.8917e-05 | 8.437e-05  | 8.9407e-05 |   0.0 |  0.10
-Other   |            | 0.0001439  |            |       |  0.16
-
-Nlocal:    125 ave 133 max 113 min
-Histogram: 2 0 0 0 0 1 1 0 2 2
-Nghost:    773.625 ave 788 max 764 min
-Histogram: 1 1 2 1 1 0 0 0 1 1
-Neighs:    30977.1 ave 50690 max 10447 min
-Histogram: 1 1 1 0 1 1 0 0 2 1
-
-Total # of neighbors = 247817
-Ave neighs/atom = 247.817
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.2 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.2
deleted file mode 100644
index e8e614004d..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.2
+++ /dev/null
@@ -1,109 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos fmm 0.001
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-thermo          1
-
-run		20
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.48 | 6.861 | 7.243 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417141            0    1.6235786 0.0015676581 
-       1    18.780412   -10.770009            0    17.372438  0.016719188 
-       2    65.294131   -11.084501            0    86.758754   0.06035827 
-       3    121.92555   -7.0612033            0    175.64423    0.1140457 
-       4    185.71165   -5.8781334            0    272.41077   0.17455524 
-       5    286.28339   -4.3800108            0    424.61565   0.26911306 
-       6    481.28097   -4.3052012            0    716.89433   0.45262045 
-       7    487.26022   -3.8672741            0    726.29216   0.45830216 
-       8    493.65478   -3.0242687            0    736.71742   0.46443761 
-       9    495.66203   -3.4336343            0    739.31592   0.46613014 
-      10    498.41831   -2.8837072            0    743.99613   0.46887706 
-      11    499.20944   -2.7724783            0    745.29287   0.46966875 
-      12    500.97345   -2.8281484            0    747.88057   0.47126462 
-      13    507.46412   -2.7752775            0    757.65971   0.47728761 
-      14    525.35729   -2.5749814            0    784.67292   0.49422171 
-      15     563.9578   -2.9982381            0    842.09253   0.53043696 
-      16    645.47602   -2.5519203            0    964.69389   0.60730795 
-      17    647.09276   -2.2568468            0    967.41166   0.60891914 
-      18    647.12596   -2.2791003            0    967.43915   0.60900309 
-      19    647.24862   -2.2495226            0    967.65253   0.60908339 
-      20    647.51175   -2.0239179            0    968.27244   0.60932598 
-Loop time of 0.701186 on 2 procs for 20 steps with 1000 atoms
-
-Performance: 12321.981 tau/day, 28.523 timesteps/s
-99.7% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00022388 | 0.00022912 | 0.00023437 |   0.0 |  0.03
-Kspace  | 0.60189    | 0.62405    | 0.64621    |   2.8 | 89.00
-Neigh   | 0.051681   | 0.073973   | 0.096265   |   8.2 | 10.55
-Comm    | 0.0016983  | 0.0018919  | 0.0020854  |   0.4 |  0.27
-Output  | 0.00034356 | 0.00044572 | 0.00054789 |   0.0 |  0.06
-Modify  | 0.00031281 | 0.0003171  | 0.00032139 |   0.0 |  0.05
-Other   |            | 0.0002786  |            |       |  0.04
-
-Nlocal:    500 ave 509 max 491 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    455.5 ave 467 max 444 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    122171 ave 171834 max 72508 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 244342
-Ave neighs/atom = 244.342
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.8 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.8
deleted file mode 100644
index 22d1140813..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.8
+++ /dev/null
@@ -1,109 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos fmm 0.001
-kspace_modify scafacos tolerance energy_rel
-kspace_modify scafacos fmm_tuning 1
-ScaFaCoS setting fmm inhomogen tuning ...
-
-timestep	0.005
-thermo          1
-
-run		20
-Setting up ScaFaCoS with solver fmm ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.164 | 4.26 | 4.546 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417141            0    1.6235786 0.0015676581 
-       1    18.780412   -10.770009            0    17.372438  0.016719188 
-       2    65.294131   -11.084501            0    86.758754   0.06035827 
-       3    121.92555   -7.0612033            0    175.64423    0.1140457 
-       4    185.71165   -5.8781334            0    272.41077   0.17455524 
-       5    286.28339   -4.3800108            0    424.61565   0.26911306 
-       6    481.28097   -4.3052012            0    716.89433   0.45262045 
-       7    487.26022   -3.8672741            0    726.29216   0.45830216 
-       8    493.65478   -3.0242687            0    736.71742   0.46443761 
-       9    495.66203   -3.4336343            0    739.31592   0.46613014 
-      10    498.41831   -2.8837072            0    743.99613   0.46887706 
-      11    499.20944   -2.7724783            0    745.29287   0.46966875 
-      12    500.97345   -2.8281484            0    747.88057   0.47126462 
-      13    507.46412   -2.7752775            0    757.65971   0.47728761 
-      14    525.35729   -2.5749814            0    784.67292   0.49422171 
-      15     563.9578   -2.9982381            0    842.09253   0.53043696 
-      16    645.47602   -2.5519203            0    964.69389   0.60730795 
-      17    647.09276   -2.2568468            0    967.41166   0.60891914 
-      18    647.12596   -2.2791003            0    967.43915   0.60900309 
-      19    647.24862   -2.2495226            0    967.65253   0.60908339 
-      20    647.51175   -2.0239179            0    968.27244   0.60932598 
-Loop time of 0.569395 on 8 procs for 20 steps with 1000 atoms
-
-Performance: 15174.000 tau/day, 35.125 timesteps/s
-99.3% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.00021982 | 0.00023353 | 0.0002408  |   0.0 |  0.04
-Kspace  | 0.53679    | 0.54466    | 0.55292    |   0.8 | 95.66
-Neigh   | 0.011844   | 0.02033    | 0.028357   |   4.2 |  3.57
-Comm    | 0.0028894  | 0.0031579  | 0.0034704  |   0.4 |  0.55
-Output  | 0.0005579  | 0.00067073 | 0.0008719  |   0.0 |  0.12
-Modify  | 0.0001018  | 0.00011405 | 0.00012612 |   0.0 |  0.02
-Other   |            | 0.0002268  |            |       |  0.04
-
-Nlocal:    125 ave 137 max 111 min
-Histogram: 1 1 0 0 0 2 2 1 0 1
-Nghost:    768.875 ave 788 max 761 min
-Histogram: 4 0 2 0 0 0 1 0 0 1
-Neighs:    30542.8 ave 48077 max 10011 min
-Histogram: 1 1 1 0 1 1 0 0 0 3
-
-Total # of neighbors = 244342
-Ave neighs/atom = 244.342
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.2 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.2
deleted file mode 100644
index bd7e7fee1f..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.2
+++ /dev/null
@@ -1,107 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify scafacos tolerance potential
-
-timestep	0.005
-thermo          1
-
-run		20
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 6.48 | 6.861 | 7.243 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777511            0    272.51603   0.17462194 
-       5    286.36221   -4.3820531            0    424.73172   0.26918925 
-       6    481.42203   -4.3095567            0    717.10136   0.45274086 
-       7    488.59165   -3.8685193            0    728.28607   0.45956865 
-       8    497.85288   -3.0417938            0    742.99075   0.46838117 
-       9    499.61619   -3.4190063            0    745.25585   0.46983349 
-      10    502.63691   -2.8360951            0    750.36531   0.47280815 
-      11     504.4847   -2.7628089            0    753.20751   0.47462802 
-      12    506.54494   -2.8460319            0    756.21157    0.4765145 
-      13     508.2722   -2.7309328            0    758.91497   0.47813761 
-      14    510.57053   -2.6094792            0    762.48045   0.48031438 
-      15    513.14804   -2.7150819            0    766.23726   0.48275234 
-      16    515.78127   -2.3961749            0    770.50206   0.48526336 
-      17    515.70267   -2.2982581            0    770.48219   0.48526619 
-      18    515.70813   -2.1516075            0    770.63702   0.48530395 
-      19    515.74908   -2.0581483            0    770.79185   0.48530979 
-      20    515.70881    -1.892235            0    770.89742   0.48527104 
-Loop time of 0.701267 on 2 procs for 20 steps with 1000 atoms
-
-Performance: 12320.557 tau/day, 28.520 timesteps/s
-99.6% CPU use with 2 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0002265  | 0.00022769 | 0.00022888 |   0.0 |  0.03
-Kspace  | 0.60195    | 0.62374    | 0.64554    |   2.8 | 88.95
-Neigh   | 0.05268    | 0.074592   | 0.096504   |   8.0 | 10.64
-Comm    | 0.0015199  | 0.0016934  | 0.0018668  |   0.4 |  0.24
-Output  | 0.00031519 | 0.00041544 | 0.0005157  |   0.0 |  0.06
-Modify  | 0.00029492 | 0.00030565 | 0.00031638 |   0.0 |  0.04
-Other   |            | 0.000288   |            |       |  0.04
-
-Nlocal:    500 ave 516 max 484 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    456.5 ave 475 max 438 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    123908 ave 172139 max 75678 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 247817
-Ave neighs/atom = 247.817
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.4 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.4
deleted file mode 100644
index 8a7e591f9a..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.4
+++ /dev/null
@@ -1,107 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify scafacos tolerance potential
-
-timestep	0.005
-thermo          1
-
-run		20
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.837 | 5.123 | 5.6 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777511            0    272.51603   0.17462194 
-       5    286.36221   -4.3820531            0    424.73172   0.26918925 
-       6    481.42203   -4.3095567            0    717.10136   0.45274086 
-       7    488.59165   -3.8685193            0    728.28607   0.45956865 
-       8    497.85288   -3.0417938            0    742.99075   0.46838117 
-       9    499.61619   -3.4190063            0    745.25585   0.46983349 
-      10    502.63691   -2.8360951            0    750.36531   0.47280815 
-      11     504.4847   -2.7628089            0    753.20751   0.47462802 
-      12    506.54494   -2.8460319            0    756.21157    0.4765145 
-      13     508.2722   -2.7309328            0    758.91497   0.47813761 
-      14    510.57053   -2.6094792            0    762.48045   0.48031438 
-      15    513.14804   -2.7150819            0    766.23726   0.48275234 
-      16    515.78127   -2.3961749            0    770.50206   0.48526336 
-      17    515.70267   -2.2982581            0    770.48219   0.48526619 
-      18    515.70813   -2.1516075            0    770.63702   0.48530395 
-      19    515.74908   -2.0581483            0    770.79185   0.48530979 
-      20    515.70881    -1.892235            0    770.89742   0.48527104 
-Loop time of 0.427495 on 4 procs for 20 steps with 1000 atoms
-
-Performance: 20210.785 tau/day, 46.784 timesteps/s
-99.7% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0002327  | 0.00023341 | 0.00023437 |   0.0 |  0.05
-Kspace  | 0.36897    | 0.38411    | 0.39988    |   1.9 | 89.85
-Neigh   | 0.023831   | 0.039796   | 0.055124   |   6.1 |  9.31
-Comm    | 0.0022776  | 0.0025444  | 0.0028152  |   0.4 |  0.60
-Output  | 0.00033784 | 0.0004344  | 0.00057077 |   0.0 |  0.10
-Modify  | 0.00016117 | 0.00016713 | 0.00017095 |   0.0 |  0.04
-Other   |            | 0.0002093  |            |       |  0.05
-
-Nlocal:    250 ave 259 max 238 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
-Nghost:    672.25 ave 683 max 663 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    61954.2 ave 97157 max 25016 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-
-Total # of neighbors = 247817
-Ave neighs/atom = 247.817
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.8 b/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.8
deleted file mode 100644
index 13922c09ac..0000000000
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.8
+++ /dev/null
@@ -1,107 +0,0 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
-  using 1 OpenMP thread(s) per MPI task
-# Point dipoles in a 2d box
-
-units		lj
-atom_style  charge
-
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
-  2 by 2 by 2 MPI processor grid
-  reading atoms ...
-  1000 atoms
-change_box all boundary f f f
-
-velocity	all create 1.5 49893
-
-neighbor	1.0 bin
-neigh_modify	delay 0
-
-fix             1 all nve
-
-# LAMMPS computes pairwise and long-range Coulombics
-
-#pair_style      coul/long 3.0
-#pair_coeff      * *
-#kspace_style    pppm 1.0e-3
-
-# Scafacos computes entire long-range Coulombics
-# use dummy pair style to perform atom sorting
-
-pair_style	zero 1.0
-pair_coeff	* *
-
-#fix		2 all scafacos p3m tolerance field 0.001
-
-kspace_style    scafacos p2nfft 0.001
-kspace_modify scafacos tolerance potential
-
-timestep	0.005
-thermo          1
-
-run		20
-Setting up ScaFaCoS with solver p2nfft ...
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2
-  ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair zero, perpetual
-      attributes: half, newton on
-      pair build: half/bin/atomonly/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.164 | 4.26 | 4.546 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777511            0    272.51603   0.17462194 
-       5    286.36221   -4.3820531            0    424.73172   0.26918925 
-       6    481.42203   -4.3095567            0    717.10136   0.45274086 
-       7    488.59165   -3.8685193            0    728.28607   0.45956865 
-       8    497.85288   -3.0417938            0    742.99075   0.46838117 
-       9    499.61619   -3.4190063            0    745.25585   0.46983349 
-      10    502.63691   -2.8360951            0    750.36531   0.47280815 
-      11     504.4847   -2.7628089            0    753.20751   0.47462802 
-      12    506.54494   -2.8460319            0    756.21157    0.4765145 
-      13     508.2722   -2.7309328            0    758.91497   0.47813761 
-      14    510.57053   -2.6094792            0    762.48045   0.48031438 
-      15    513.14804   -2.7150819            0    766.23726   0.48275234 
-      16    515.78127   -2.3961749            0    770.50206   0.48526336 
-      17    515.70267   -2.2982581            0    770.48219   0.48526619 
-      18    515.70813   -2.1516075            0    770.63702   0.48530395 
-      19    515.74908   -2.0581483            0    770.79185   0.48530979 
-      20    515.70881    -1.892235            0    770.89742   0.48527104 
-Loop time of 0.242145 on 8 procs for 20 steps with 1000 atoms
-
-Performance: 35681.038 tau/day, 82.595 timesteps/s
-99.2% CPU use with 8 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.0002315  | 0.00023672 | 0.00024652 |   0.0 |  0.10
-Kspace  | 0.20915    | 0.21666    | 0.22564    |   1.3 | 89.48
-Neigh   | 0.012218   | 0.021341   | 0.029026   |   4.3 |  8.81
-Comm    | 0.0028954  | 0.0031248  | 0.0033553  |   0.3 |  1.29
-Output  | 0.00039291 | 0.00049406 | 0.00066066 |   0.0 |  0.20
-Modify  | 8.7976e-05 | 9.2953e-05 | 9.7752e-05 |   0.0 |  0.04
-Other   |            | 0.0001938  |            |       |  0.08
-
-Nlocal:    125 ave 133 max 113 min
-Histogram: 2 0 0 0 0 1 1 0 2 2
-Nghost:    773.625 ave 788 max 764 min
-Histogram: 1 1 2 1 1 0 0 0 1 1
-Neighs:    30977.1 ave 50690 max 10447 min
-Histogram: 1 1 1 0 1 1 0 0 2 1
-
-Total # of neighbors = 247817
-Ave neighs/atom = 247.817
-Neighbor list builds = 19
-Dangerous builds = 18
-Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1
new file mode 100644
index 0000000000..e0b10de95e
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1
@@ -0,0 +1,92 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+
+units		lj
+atom_style  charge
+
+read_data data.cloud_wall
+  orthogonal box = (0 0 0) to (10 10 10)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  300 atoms
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix     1 all nve
+kspace_style scafacos ewald  0.001
+kspace_modify scafacos tolerance field
+
+timestep	0.005
+
+thermo_style custom step atoms cpu temp pe ke etotal ecoul press
+
+run_style verlet
+
+#dump simple all custom 1000 id x y z vx vy vz
+#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
+#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
+#dump_modify dmpvtk pad 7
+
+thermo 10
+run	100
+Setting up ScaFaCoS with solver ewald ...
+WARNING: Virial computation for Ewald not available (src/USER-SCAFACOS/scafacos.cpp:107)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
+Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
+       0      300            0            0   0.49647271            0   0.49647271            0            0 
+      10      300   0.13361073  0.015454603   0.47336798  0.023104631   0.49647261            0 0.0046209262 
+      20      300   0.26624846  0.062286838   0.40335451  0.093118823   0.49647334            0  0.018623765 
+      30      300   0.39882493   0.14309258    0.2825546   0.21392341   0.49647801            0  0.042784682 
+      40      300   0.53216863   0.52823732   0.08958779   0.78971479   0.87930258            0   0.15794296 
+      50      300   0.66626191    1.1912156 -0.082808834    1.7808674    1.6980585            0   0.35617347 
+      60      300   0.80045819    1.3877079  -0.37658402    2.0746234    1.6980393            0   0.41492467 
+      70      300   0.93514919    1.7017671  -0.84569366    2.5441418    1.6984482            0   0.50882837 
+      80      300    1.0722892    15.128456    -3.370646    22.617042    19.246396            0    4.5234083 
+      90      300    1.2106726    41.994547   -2.2024419    62.781847    60.579406            0    12.556369 
+     100      300    1.3514247    41.352114  -0.92449496    61.821411    60.896916            0    12.364282 
+Loop time of 1.35144 on 1 procs for 100 steps with 300 atoms
+
+Performance: 31966.000 tau/day, 73.995 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.718e-05  | 2.718e-05  | 2.718e-05  |   0.0 |  0.00
+Kspace  | 1.3486     | 1.3486     | 1.3486     |   0.0 | 99.79
+Neigh   | 0.0019956  | 0.0019956  | 0.0019956  |   0.0 |  0.15
+Comm    | 0.00027394 | 0.00027394 | 0.00027394 |   0.0 |  0.02
+Output  | 0.00013924 | 0.00013924 | 0.00013924 |   0.0 |  0.01
+Modify  | 0.00023341 | 0.00023341 | 0.00023341 |   0.0 |  0.02
+Other   |            | 0.000195   |            |       |  0.01
+
+Nlocal:    300 ave 300 max 300 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    374 ave 374 max 374 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2465 ave 2465 max 2465 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2465
+Ave neighs/atom = 8.21667
+Neighbor list builds = 15
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.4
new file mode 100644
index 0000000000..f881ed003a
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.ewald.g++.4
@@ -0,0 +1,92 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+
+units		lj
+atom_style  charge
+
+read_data data.cloud_wall
+  orthogonal box = (0 0 0) to (10 10 10)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  300 atoms
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix     1 all nve
+kspace_style scafacos ewald  0.001
+kspace_modify scafacos tolerance field
+
+timestep	0.005
+
+thermo_style custom step atoms cpu temp pe ke etotal ecoul press
+
+run_style verlet
+
+#dump simple all custom 1000 id x y z vx vy vz
+#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
+#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
+#dump_modify dmpvtk pad 7
+
+thermo 10
+run	100
+Setting up ScaFaCoS with solver ewald ...
+WARNING: Virial computation for Ewald not available (src/USER-SCAFACOS/scafacos.cpp:107)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
+Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
+       0      300            0            0   0.49647271            0   0.49647271            0            0 
+      10      300   0.04107213  0.015454603   0.47336798  0.023104631   0.49647261            0 0.0046209262 
+      20      300  0.083310604  0.062286838   0.40335451  0.093118823   0.49647334            0  0.018623765 
+      30      300   0.12387085   0.14309258    0.2825546   0.21392341   0.49647801            0  0.042784682 
+      40      300    0.1672492   0.52823732   0.08958779   0.78971479   0.87930258            0   0.15794296 
+      50      300   0.21049809    1.1912156 -0.082808834    1.7808674    1.6980585            0   0.35617347 
+      60      300   0.25216699    1.3877079  -0.37658402    2.0746234    1.6980393            0   0.41492467 
+      70      300   0.29355645    1.7017671  -0.84569366    2.5441418    1.6984482            0   0.50882837 
+      80      300   0.33713698    15.128456    -3.370646    22.617042    19.246396            0    4.5234083 
+      90      300   0.38109112    41.994547   -2.2024419    62.781847    60.579406            0    12.556369 
+     100      300    0.4267664    41.352114  -0.92449496    61.821411    60.896916            0    12.364282 
+Loop time of 0.426857 on 4 procs for 100 steps with 300 atoms
+
+Performance: 101204.784 tau/day, 234.270 timesteps/s
+97.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.6689e-05 | 1.8835e-05 | 2.2173e-05 |   0.0 |  0.00
+Kspace  | 0.42368    | 0.42384    | 0.42405    |   0.0 | 99.29
+Neigh   | 0.00040579 | 0.00056726 | 0.00075126 |   0.0 |  0.13
+Comm    | 0.0010395  | 0.0010909  | 0.001189   |   0.2 |  0.26
+Output  | 0.00015545 | 0.00034326 | 0.00090313 |   0.0 |  0.08
+Modify  | 9.8705e-05 | 0.00010544 | 0.00011539 |   0.0 |  0.02
+Other   |            | 0.0008868  |            |       |  0.21
+
+Nlocal:    75 ave 81 max 70 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    282.5 ave 290 max 274 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Neighs:    616.25 ave 983 max 283 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 2465
+Ave neighs/atom = 8.21667
+Neighbor list builds = 15
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.1 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.1
similarity index 51%
rename from examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.1
index 714ce85a5f..da0c698187 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.fmm.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units	    lj
 atom_style  charge
@@ -59,41 +58,41 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
 Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
        0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
-      10      300  0.063865185  0.015455559   0.47335833   0.02310606   0.49646439            0  0.020399823 
-      20      300   0.12760854   0.06229069   0.40334177  0.093124582   0.49646635            0  0.032069642 
-      30      300   0.19143319   0.14310163   0.28254277   0.21393694   0.49647971            0   0.05220548 
-      40      300   0.25553131   0.52929788  0.089669015   0.79130033   0.88096934            0   0.16124903 
-      50      300   0.31961966    1.1963022 -0.082792461    1.7884718    1.7056794            0   0.35493462 
-      60      300   0.38388991    1.3928167  -0.37659239     2.082261    1.7056686            0   0.40389911 
-      70      300   0.44797421    1.7069009  -0.84571914    2.5518169    1.7060978            0   0.48217274 
-      80      300   0.50961447    15.358343    -3.368063    22.960722    19.592659            0    4.4798757 
-      90      300   0.57181501    42.280432   -2.1623864    63.209247     61.04686            0     12.56977 
-     100      300   0.63501096     41.48079  -0.89904529    62.013782    61.114736            0    12.372788 
-Loop time of 0.635022 on 1 procs for 100 steps with 300 atoms
+      10      300  0.025602102  0.015455672   0.47336221  0.023106229   0.49646844            0  0.020399986 
+      20      300  0.051156282  0.062291145   0.40334518  0.093125262   0.49647044            0  0.032069892 
+      30      300  0.076699495   0.14310262   0.28254543   0.21393842   0.49648385            0  0.052205865 
+      40      300   0.10232902   0.52932294  0.089676201   0.79133779   0.88101399            0   0.16125676 
+      50      300   0.12800455    1.1962334 -0.082794531     1.788369    1.7055744            0   0.35491397 
+      60      300    0.1537931    1.3927481  -0.37659486    2.0821585    1.7055636            0   0.40387853 
+      70      300   0.17947531    1.7068337  -0.84572368    2.5517165    1.7059928            0    0.4821525 
+      80      300   0.20517826    15.509932    -3.369527    23.187348    19.817821            0    4.5251521 
+      90      300   0.23049045     42.26862   -2.0785273    63.191586    61.113059            0    12.569033 
+     100      300   0.25625205    41.459415  -0.88546313    61.981825    61.096362            0     12.36685 
+Loop time of 0.256263 on 1 procs for 100 steps with 300 atoms
 
-Performance: 68029.122 tau/day, 157.475 timesteps/s
-99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 168576.488 tau/day, 390.223 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 9.0837e-05 | 9.0837e-05 | 9.0837e-05 |   0.0 |  0.01
-Kspace  | 0.62877    | 0.62877    | 0.62877    |   0.0 | 99.01
-Neigh   | 0.0035319  | 0.0035319  | 0.0035319  |   0.0 |  0.56
-Comm    | 0.0010211  | 0.0010211  | 0.0010211  |   0.0 |  0.16
-Output  | 0.00014758 | 0.00014758 | 0.00014758 |   0.0 |  0.02
-Modify  | 0.0010428  | 0.0010428  | 0.0010428  |   0.0 |  0.16
-Other   |            | 0.0004218  |            |       |  0.07
+Pair    | 2.7895e-05 | 2.7895e-05 | 2.7895e-05 |   0.0 |  0.01
+Kspace  | 0.25335    | 0.25335    | 0.25335    |   0.0 | 98.86
+Neigh   | 0.0020251  | 0.0020251  | 0.0020251  |   0.0 |  0.79
+Comm    | 0.00027776 | 0.00027776 | 0.00027776 |   0.0 |  0.11
+Output  | 0.00014305 | 0.00014305 | 0.00014305 |   0.0 |  0.06
+Modify  | 0.0002346  | 0.0002346  | 0.0002346  |   0.0 |  0.09
+Other   |            | 0.0002046  |            |       |  0.08
 
 Nlocal:    300 ave 300 max 300 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 Nghost:    374 ave 374 max 374 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2459 ave 2459 max 2459 min
+Neighs:    2461 ave 2461 max 2461 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 2459
-Ave neighs/atom = 8.19667
+Total # of neighbors = 2461
+Ave neighs/atom = 8.20333
 Neighbor list builds = 15
 Dangerous builds = 0
 Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.4
new file mode 100644
index 0000000000..30fa988863
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.fmm.g++.4
@@ -0,0 +1,98 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units	    lj
+atom_style  charge
+
+read_data data.cloud_wall
+  orthogonal box = (0 0 0) to (10 10 10)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  300 atoms
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix     1 all nve
+
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+kspace_style scafacos fmm 1.0e-3
+kspace_modify scafacos tolerance energy_rel
+kspace_modify scafacos fmm_tuning 1
+ScaFaCoS setting fmm inhomogen tuning ...
+
+timestep	0.005
+
+thermo_style custom step atoms cpu temp pe ke etotal ecoul press
+
+run_style verlet
+
+#dump simple all custom 1000 id x y z vx vy vz
+#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
+#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
+#dump_modify dmpvtk pad 7
+
+thermo 10
+run	100
+Setting up ScaFaCoS with solver fmm ...
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
+Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
+       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
+      10      300   0.01548481  0.015455672   0.47336221  0.023106229   0.49646844            0  0.020399986 
+      20      300  0.031042576  0.062291145   0.40334518  0.093125262   0.49647044            0  0.032069892 
+      30      300  0.044115782   0.14310262   0.28254543   0.21393842   0.49648385            0  0.052205865 
+      40      300  0.059348583   0.52932294  0.089676201   0.79133779   0.88101399            0   0.16125676 
+      50      300  0.071757555    1.1962334 -0.082794531     1.788369    1.7055744            0   0.35491397 
+      60      300  0.088143587    1.3927481  -0.37659486    2.0821585    1.7055636            0   0.40387853 
+      70      300  0.099860907    1.7068337  -0.84572368    2.5517165    1.7059928            0    0.4821525 
+      80      300   0.11159992    15.509932    -3.369527    23.187348    19.817821            0    4.5251521 
+      90      300   0.12841201     42.26862   -2.0785273    63.191586    61.113059            0    12.569033 
+     100      300   0.14122367    41.459415  -0.88546313    61.981825    61.096362            0     12.36685 
+Loop time of 0.141343 on 4 procs for 100 steps with 300 atoms
+
+Performance: 305639.349 tau/day, 707.498 timesteps/s
+94.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.5988e-05 | 2.9087e-05 | 3.2663e-05 |   0.0 |  0.02
+Kspace  | 0.13587    | 0.13743    | 0.13808    |   0.2 | 97.23
+Neigh   | 0.00041199 | 0.00057679 | 0.00076771 |   0.0 |  0.41
+Comm    | 0.001039   | 0.0015332  | 0.0029936  |   2.2 |  1.08
+Output  | 0.00017786 | 0.00044322 | 0.0012352  |   0.0 |  0.31
+Modify  | 0.00017333 | 0.00018805 | 0.00020623 |   0.0 |  0.13
+Other   |            | 0.001146   |            |       |  0.81
+
+Nlocal:    75 ave 80 max 71 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    282.5 ave 290 max 275 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Neighs:    615.25 ave 970 max 292 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 2461
+Ave neighs/atom = 8.20333
+Neighbor list builds = 15
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.1 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.1
similarity index 64%
rename from examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.1
index f47f24edee..10c2fa166b 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 
 units		lj
@@ -52,31 +51,31 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
 Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
        0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
-      10      300  0.071435928  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
-      20      300   0.14302707  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
-      30      300   0.21480989   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
-      40      300   0.28638172   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
-      50      300   0.35810781    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
-      60      300   0.42993116    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
-      70      300   0.50181961    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
-      80      300   0.57404566    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
-      90      300   0.64724708    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
-     100      300   0.72128963    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
-Loop time of 0.721302 on 1 procs for 100 steps with 300 atoms
+      10      300  0.028267145  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
+      20      300  0.056742668  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
+      30      300  0.085426331   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
+      40      300   0.11415625   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
+      50      300   0.14363861    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
+      60      300   0.17313194    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
+      70      300   0.20299363    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
+      80      300   0.23256087    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
+      90      300   0.26286936    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
+     100      300   0.29372239    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
+Loop time of 0.293738 on 1 procs for 100 steps with 300 atoms
 
-Performance: 59891.733 tau/day, 138.638 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 147070.013 tau/day, 340.440 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 8.893e-05  | 8.893e-05  | 8.893e-05  |   0.0 |  0.01
-Kspace  | 0.71502    | 0.71502    | 0.71502    |   0.0 | 99.13
-Neigh   | 0.0035415  | 0.0035415  | 0.0035415  |   0.0 |  0.49
-Comm    | 0.001024   | 0.001024   | 0.001024   |   0.0 |  0.14
-Output  | 0.00015044 | 0.00015044 | 0.00015044 |   0.0 |  0.02
-Modify  | 0.0010409  | 0.0010409  | 0.0010409  |   0.0 |  0.14
-Other   |            | 0.0004385  |            |       |  0.06
+Pair    | 4.3869e-05 | 4.3869e-05 | 4.3869e-05 |   0.0 |  0.01
+Kspace  | 0.29081    | 0.29081    | 0.29081    |   0.0 | 99.00
+Neigh   | 0.0019989  | 0.0019989  | 0.0019989  |   0.0 |  0.68
+Comm    | 0.0003159  | 0.0003159  | 0.0003159  |   0.0 |  0.11
+Output  | 0.00016809 | 0.00016809 | 0.00016809 |   0.0 |  0.06
+Modify  | 0.00021863 | 0.00021863 | 0.00021863 |   0.0 |  0.07
+Other   |            | 0.0001831  |            |       |  0.06
 
 Nlocal:    300 ave 300 max 300 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.4 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.4
similarity index 64%
rename from examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.4
index d5a07e0324..aa828ed159 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.cw.g++.p2nfft.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p2nfft.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 
 units		lj
@@ -52,31 +51,31 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
 Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
        0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
-      10      300   0.02743125  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
-      20      300   0.05494833  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
-      30      300  0.082517862   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
-      40      300   0.11015558   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
-      50      300   0.13790298    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
-      60      300    0.1660006    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
-      70      300    0.1937964    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
-      80      300   0.22181106    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
-      90      300   0.25105524    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
-     100      300   0.28086019    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
-Loop time of 0.280875 on 4 procs for 100 steps with 300 atoms
+      10      300  0.013789177  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
+      20      300  0.025422812  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
+      30      300  0.039611578   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
+      40      300  0.051841736   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
+      50      300   0.07456398    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
+      60      300  0.087505341    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
+      70      300   0.10280418    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
+      80      300    0.1173315    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
+      90      300   0.13260174    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
+     100      300   0.14577007    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
+Loop time of 0.145873 on 4 procs for 100 steps with 300 atoms
 
-Performance: 153805.254 tau/day, 356.031 timesteps/s
-99.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 296148.120 tau/day, 685.528 timesteps/s
+92.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 5.6744e-05 | 6.0022e-05 | 6.4135e-05 |   0.0 |  0.02
-Kspace  | 0.27651    | 0.27682    | 0.27714    |   0.0 | 98.56
-Neigh   | 0.00079465 | 0.001082   | 0.0014107  |   0.8 |  0.39
-Comm    | 0.0019372  | 0.002014   | 0.0020835  |   0.1 |  0.72
-Output  | 0.00018406 | 0.00019914 | 0.00023413 |   0.0 |  0.07
-Modify  | 0.0002749  | 0.00028563 | 0.00029325 |   0.0 |  0.10
-Other   |            | 0.0004173  |            |       |  0.15
+Pair    | 2.3842e-05 | 2.5034e-05 | 2.7657e-05 |   0.0 |  0.02
+Kspace  | 0.14221    | 0.14239    | 0.14264    |   0.0 | 97.61
+Neigh   | 0.00041676 | 0.0005784  | 0.00076866 |   0.0 |  0.40
+Comm    | 0.0013564  | 0.0014941  | 0.0016375  |   0.3 |  1.02
+Output  | 0.00017166 | 0.00033867 | 0.00083518 |   0.0 |  0.23
+Modify  | 0.00012016 | 0.00012261 | 0.0001266  |   0.0 |  0.08
+Other   |            | 0.0009243  |            |       |  0.63
 
 Nlocal:    75 ave 81 max 69 min
 Histogram: 1 0 0 0 1 1 0 0 0 1
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.1 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.1
new file mode 100644
index 0000000000..9410529284
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.1
@@ -0,0 +1,92 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+
+units		lj
+atom_style  charge
+
+read_data data.cloud_wall
+  orthogonal box = (0 0 0) to (10 10 10)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  300 atoms
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix     1 all nve
+kspace_style scafacos p3m  0.001
+kspace_modify scafacos tolerance field
+
+timestep	0.005
+
+thermo_style custom step atoms cpu temp pe ke etotal ecoul press
+
+run_style verlet
+
+#dump simple all custom 1000 id x y z vx vy vz
+#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
+#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
+#dump_modify dmpvtk pad 7
+
+thermo 10
+run	100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
+Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
+       0      300            0            0   0.49619864            0   0.49619864            0            0 
+      10      300  0.018853664  0.015458704   0.47310664  0.023110763    0.4962174            0 0.0046221526 
+      20      300  0.037713289  0.062303961   0.40312435  0.093144421   0.49626877            0  0.018628884 
+      30      300  0.055995226   0.14313464   0.28239193   0.21398628   0.49637821            0  0.042797257 
+      40      300  0.074442625   0.53306643  0.089950137   0.79693431   0.88688444            0   0.15938686 
+      50      300  0.093066454    1.1925037  -0.08272797    1.7827931    1.7000651            0   0.35655861 
+      60      300   0.11158967    1.3890617  -0.37645444    2.0766472    1.7001927            0   0.41532944 
+      70      300    0.1300416    1.7033725  -0.84587122    2.5465418    1.7006706            0   0.50930837 
+      80      300   0.14844203    15.906218   -3.3586154    23.779796    20.421181            0    4.7559592 
+      90      300    0.1676445    42.749883   -2.2769116    63.911076    61.634164            0    12.782215 
+     100      300    0.1866703     42.25523  -0.84978755    63.171569    62.321782            0    12.634314 
+Loop time of 0.186683 on 1 procs for 100 steps with 300 atoms
+
+Performance: 231408.103 tau/day, 535.667 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 2.7657e-05 | 2.7657e-05 | 2.7657e-05 |   0.0 |  0.01
+Kspace  | 0.18368    | 0.18368    | 0.18368    |   0.0 | 98.39
+Neigh   | 0.0020967  | 0.0020967  | 0.0020967  |   0.0 |  1.12
+Comm    | 0.00027132 | 0.00027132 | 0.00027132 |   0.0 |  0.15
+Output  | 0.00013709 | 0.00013709 | 0.00013709 |   0.0 |  0.07
+Modify  | 0.0002718  | 0.0002718  | 0.0002718  |   0.0 |  0.15
+Other   |            | 0.0001974  |            |       |  0.11
+
+Nlocal:    300 ave 300 max 300 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    374 ave 374 max 374 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2478 ave 2478 max 2478 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2478
+Ave neighs/atom = 8.26
+Neighbor list builds = 15
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.4
new file mode 100644
index 0000000000..2dc5c07b2b
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.cw.p3m.g++.4
@@ -0,0 +1,92 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+
+units		lj
+atom_style  charge
+
+read_data data.cloud_wall
+  orthogonal box = (0 0 0) to (10 10 10)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  300 atoms
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix     1 all nve
+kspace_style scafacos p3m  0.001
+kspace_modify scafacos tolerance field
+
+timestep	0.005
+
+thermo_style custom step atoms cpu temp pe ke etotal ecoul press
+
+run_style verlet
+
+#dump simple all custom 1000 id x y z vx vy vz
+#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
+#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
+#dump_modify dmpvtk pad 7
+
+thermo 10
+run	100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 10 10 10
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 3.333 | 3.333 | 3.333 Mbytes
+Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
+       0      300            0            0   0.49601855            0   0.49601855            0            0 
+      10      300 0.0080001354  0.015443077   0.47292202    0.0230874   0.49600942            0   0.00461748 
+      20      300  0.018443823  0.062241297   0.40294626  0.093050739     0.495997            0  0.018610148 
+      30      300  0.029161692   0.14299426   0.28226416   0.21377642   0.49604058            0  0.042755283 
+      40      300  0.037320137   0.53371718  0.089969593   0.79790718   0.88787677            0   0.15958144 
+      50      300  0.045557499     1.195874 -0.082570725    1.7878316    1.7052608            0   0.35756631 
+      60      300  0.054044962    1.3923357  -0.37594466    2.0815419    1.7055972            0   0.41630838 
+      70      300  0.064656734    1.7063617  -0.84481819    2.5510108    1.7061926            0   0.51020216 
+      80      300  0.073246241    13.884845   -3.3804644    20.757843    17.377379            0    4.1515687 
+      90      300  0.081598997    40.561354   -2.1801816    60.639224    58.459042            0    12.127845 
+     100      300  0.092384577    39.972453  -0.95590215    59.758818    58.802916            0    11.951764 
+Loop time of 0.0924569 on 4 procs for 100 steps with 300 atoms
+
+Performance: 467244.853 tau/day, 1081.585 timesteps/s
+96.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.812e-05  | 1.955e-05  | 2.1935e-05 |   0.0 |  0.02
+Kspace  | 0.087202   | 0.087385   | 0.087595   |   0.1 | 94.51
+Neigh   | 0.00039053 | 0.00056016 | 0.00074887 |   0.0 |  0.61
+Comm    | 0.00095391 | 0.001252   | 0.001538   |   0.6 |  1.35
+Output  | 0.00015235 | 0.00026172 | 0.00058818 |   0.0 |  0.28
+Modify  | 9.7275e-05 | 0.00010461 | 0.00011683 |   0.0 |  0.11
+Other   |            | 0.002874   |            |       |  3.11
+
+Nlocal:    75 ave 81 max 70 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Nghost:    284 ave 290 max 277 min
+Histogram: 1 0 0 1 0 0 0 1 0 1
+Neighs:    619.25 ave 986 max 285 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
+
+Total # of neighbors = 2477
+Ave neighs/atom = 8.25667
+Neighbor list builds = 15
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.1 b/examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.1
similarity index 79%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.1
index 13212ede0c..e6cd7c506f 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 1 by 1 MPI processor grid
   4096 atoms
-  Time spent = 0.000498772 secs
+  Time spent = 0.000287294 secs
 
 velocity	all create 1.5 49893
 
@@ -47,6 +46,7 @@ thermo          10
 
 run		100
 Setting up ScaFaCoS with solver ewald ...
+WARNING: Virial computation for Ewald not available (src/USER-SCAFACOS/scafacos.cpp:107)
 Neighbor list info ...
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -72,21 +72,21 @@ Step Temp E_pair E_mol TotEng Press
       80    1.5033218   -1.7524875            0   0.50194458    12.023638 
       90    1.5108306   -1.7637462            0   0.50194636    12.083694 
      100    1.5292479   -1.7913449            0   0.50196695    12.230996 
-Loop time of 1121.22 on 1 procs for 100 steps with 4096 atoms
+Loop time of 427.03 on 1 procs for 100 steps with 4096 atoms
 
-Performance: 38.530 tau/day, 0.089 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 101.164 tau/day, 0.234 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0015197  | 0.0015197  | 0.0015197  |   0.0 |  0.00
-Kspace  | 1121.2     | 1121.2     | 1121.2     |   0.0 |100.00
+Pair    | 0.0003655  | 0.0003655  | 0.0003655  |   0.0 |  0.00
+Kspace  | 427.02     | 427.02     | 427.02     |   0.0 |100.00
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.013699   | 0.013699   | 0.013699   |   0.0 |  0.00
-Output  | 0.00038314 | 0.00038314 | 0.00038314 |   0.0 |  0.00
-Modify  | 0.011126   | 0.011126   | 0.011126   |   0.0 |  0.00
-Other   |            | 0.00418    |            |       |  0.00
+Comm    | 0.0047293  | 0.0047293  | 0.0047293  |   0.0 |  0.00
+Output  | 0.00025916 | 0.00025916 | 0.00025916 |   0.0 |  0.00
+Modify  | 0.0029993  | 0.0029993  | 0.0029993  |   0.0 |  0.00
+Other   |            | 0.00181    |            |       |  0.00
 
 Nlocal:    4096 ave 4096 max 4096 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -99,4 +99,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:18:57
+Total wall time: 0:07:10
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.4 b/examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.4
similarity index 76%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.4
index 26c1953afa..39e0387491 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.ewald.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.ewald.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 2 by 2 MPI processor grid
   4096 atoms
-  Time spent = 0.000261068 secs
+  Time spent = 0.000125408 secs
 
 velocity	all create 1.5 49893
 
@@ -47,6 +46,7 @@ thermo          10
 
 run		100
 Setting up ScaFaCoS with solver ewald ...
+WARNING: Virial computation for Ewald not available (src/USER-SCAFACOS/scafacos.cpp:107)
 Neighbor list info ...
   update every 1 steps, delay 0 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -61,32 +61,32 @@ Neighbor list info ...
       bin: standard
 Per MPI rank memory allocation (min/avg/max) = 4.008 | 4.008 | 4.008 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5   -1.7475938            0   0.50185691         -nan 
-      10     1.500011    -1.747529            0   0.50193816         -nan 
-      20    1.5000023   -1.7475152            0   0.50193898         -nan 
-      30    1.4999308    -1.747404            0   0.50194285         -nan 
-      40    1.4997722   -1.7471622            0   0.50194686         -nan 
-      50    1.4995835    -1.746878            0   0.50194808         -nan 
-      60    1.4996054   -1.7469114            0   0.50194749         -nan 
-      70    1.5004341   -1.7481558            0   0.50194592         -nan 
-      80    1.5033218   -1.7524875            0   0.50194458         -nan 
-      90    1.5108306   -1.7637462            0   0.50194636         -nan 
-     100    1.5292479   -1.7913449            0   0.50196695         -nan 
-Loop time of 295.996 on 4 procs for 100 steps with 4096 atoms
+       0          1.5   -1.7475938            0   0.50185691     11.99707 
+      10     1.500011    -1.747529            0   0.50193816    11.997158 
+      20    1.5000023   -1.7475152            0   0.50193898    11.997089 
+      30    1.4999308    -1.747404            0   0.50194285    11.996517 
+      40    1.4997722   -1.7471622            0   0.50194686    11.995248 
+      50    1.4995835    -1.746878            0   0.50194808    11.993739 
+      60    1.4996054   -1.7469114            0   0.50194749    11.993914 
+      70    1.5004341   -1.7481558            0   0.50194592    12.000543 
+      80    1.5033218   -1.7524875            0   0.50194458    12.023638 
+      90    1.5108306   -1.7637462            0   0.50194636    12.083694 
+     100    1.5292479   -1.7913449            0   0.50196695    12.230996 
+Loop time of 113.519 on 4 procs for 100 steps with 4096 atoms
 
-Performance: 145.948 tau/day, 0.338 timesteps/s
-99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 380.555 tau/day, 0.881 timesteps/s
+98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00071096 | 0.00071985 | 0.00072813 |   0.0 |  0.00
-Kspace  | 295.98     | 295.98     | 295.98     |   0.0 | 99.99
+Pair    | 0.00022793 | 0.00023127 | 0.00023508 |   0.0 |  0.00
+Kspace  | 113.51     | 113.51     | 113.51     |   0.0 | 99.99
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.013666   | 0.013736   | 0.013795   |   0.0 |  0.00
-Output  | 0.00023484 | 0.00025135 | 0.00029254 |   0.0 |  0.00
-Modify  | 0.0029099  | 0.002973   | 0.0030224  |   0.1 |  0.00
-Other   |            | 0.001821   |            |       |  0.00
+Comm    | 0.0084581  | 0.0085486  | 0.0086188  |   0.1 |  0.01
+Output  | 0.00019598 | 0.00046694 | 0.0012727  |   0.0 |  0.00
+Modify  | 0.0016849  | 0.0017331  | 0.0017881  |   0.1 |  0.00
+Other   |            | 0.002307   |            |       |  0.00
 
 Nlocal:    1024 ave 1024 max 1024 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -99,4 +99,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:05:02
+Total wall time: 0:01:54
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.1 b/examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.1
similarity index 79%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.1
index 598585ae95..b9ae654659 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 1 by 1 MPI processor grid
   4096 atoms
-  Time spent = 0.000518799 secs
+  Time spent = 0.000326395 secs
 
 velocity	all create 1.5 49893
 
@@ -72,21 +71,21 @@ Step Temp E_pair E_mol TotEng Press
       80    1.5032684   -1.7524625            0   0.50188958    10.465466 
       90    1.5107749    -1.763714            0   0.50189507    10.515502 
      100      1.52919    -1.791306            0   0.50191895    10.638261 
-Loop time of 34.7058 on 1 procs for 100 steps with 4096 atoms
+Loop time of 9.55733 on 1 procs for 100 steps with 4096 atoms
 
-Performance: 1244.749 tau/day, 2.881 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 4520.093 tau/day, 10.463 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0015228  | 0.0015228  | 0.0015228  |   0.0 |  0.00
-Kspace  | 34.675     | 34.675     | 34.675     |   0.0 | 99.91
+Pair    | 0.0003767  | 0.0003767  | 0.0003767  |   0.0 |  0.00
+Kspace  | 9.5472     | 9.5472     | 9.5472     |   0.0 | 99.89
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.013741   | 0.013741   | 0.013741   |   0.0 |  0.04
-Output  | 0.00041246 | 0.00041246 | 0.00041246 |   0.0 |  0.00
-Modify  | 0.01107    | 0.01107    | 0.01107    |   0.0 |  0.03
-Other   |            | 0.004232   |            |       |  0.01
+Comm    | 0.0047688  | 0.0047688  | 0.0047688  |   0.0 |  0.05
+Output  | 0.00027132 | 0.00027132 | 0.00027132 |   0.0 |  0.00
+Modify  | 0.0029824  | 0.0029824  | 0.0029824  |   0.0 |  0.03
+Other   |            | 0.001692   |            |       |  0.02
 
 Nlocal:    4096 ave 4096 max 4096 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -99,4 +98,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:35
+Total wall time: 0:00:10
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.4 b/examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.4
similarity index 79%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.4
index 27fdfcedcb..7ee8d3d068 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.fmm.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.fmm.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 2 by 2 MPI processor grid
   4096 atoms
-  Time spent = 0.000270367 secs
+  Time spent = 0.00015521 secs
 
 velocity	all create 1.5 49893
 
@@ -72,21 +71,21 @@ Step Temp E_pair E_mol TotEng Press
       80    1.5032684   -1.7524625            0   0.50188958    10.465466 
       90    1.5107749    -1.763714            0   0.50189507    10.515502 
      100      1.52919    -1.791306            0   0.50191895    10.638261 
-Loop time of 10.0781 on 4 procs for 100 steps with 4096 atoms
+Loop time of 3.05974 on 4 procs for 100 steps with 4096 atoms
 
-Performance: 4286.533 tau/day, 9.923 timesteps/s
-99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 14118.863 tau/day, 32.683 timesteps/s
+98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00071096 | 0.00073177 | 0.00075269 |   0.0 |  0.01
-Kspace  | 10.056     | 10.057     | 10.057     |   0.0 | 99.79
+Pair    | 0.00021482 | 0.0002175  | 0.00022054 |   0.0 |  0.01
+Kspace  | 3.0468     | 3.0468     | 3.0468     |   0.0 | 99.58
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.01492    | 0.015036   | 0.015207   |   0.1 |  0.15
-Output  | 0.00036311 | 0.00039428 | 0.00046515 |   0.0 |  0.00
-Modify  | 0.002944   | 0.0030704  | 0.0033708  |   0.3 |  0.03
-Other   |            | 0.002214   |            |       |  0.02
+Comm    | 0.0081758  | 0.0082486  | 0.0083146  |   0.1 |  0.27
+Output  | 0.00019073 | 0.00049388 | 0.0013943  |   0.0 |  0.02
+Modify  | 0.001507   | 0.0015851  | 0.0017498  |   0.2 |  0.05
+Other   |            | 0.002385   |            |       |  0.08
 
 Nlocal:    1024 ave 1024 max 1024 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -99,4 +98,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:11
+Total wall time: 0:00:04
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.g++.1 b/examples/USER/scafacos/log.27Nov18.scafacos.g++.1
new file mode 100644
index 0000000000..6b36f0ba91
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.g++.1
@@ -0,0 +1,102 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  charge
+
+read_data data.NaCl
+  orthogonal box = (0 0 0) to (1 1 1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  8 atoms
+
+replicate 8 8 8
+  orthogonal box = (0 0 0) to (8 8 8)
+  1 by 1 by 1 MPI processor grid
+  4096 atoms
+  Time spent = 0.000253677 secs
+
+velocity	all create 1.5 49893
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix             1 all nve
+
+# LAMMPS computes pairwise and long-range Coulombics
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+# Scafacos computes entire long-range Coulombics
+# use dummy pair style to perform atom sorting
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+#fix		2 all scafacos p3m tolerance field 0.001
+
+kspace_style    scafacos p3m 0.001
+#kspace_style    scafacos tolerance field
+
+timestep	0.005
+thermo          10
+
+run		100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.813 | 5.813 | 5.813 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          1.5   -1.7475752            0    0.5018755     11.99707 
+      10    1.5000018   -1.7475779            0   0.50187548    11.997085 
+      20    1.4999833   -1.7475525            0    0.5018731    11.996936 
+      30    1.4999006   -1.7474414            0    0.5018603    11.996276 
+      40      1.49973   -1.7471989            0   0.50184695    11.994911 
+      50    1.4995292   -1.7469064            0   0.50183822    11.993305 
+      60      1.49954   -1.7469273            0   0.50183355    11.993391 
+      70    1.5003599   -1.7481583            0   0.50183215    11.999949 
+      80    1.5032409    -1.752478            0   0.50183276    12.022991 
+      90    1.5107445   -1.7637257            0   0.50183781    12.083005 
+     100    1.5291568   -1.7913136            0   0.50186158    12.230268 
+Loop time of 2.98552 on 1 procs for 100 steps with 4096 atoms
+
+Performance: 14469.821 tau/day, 33.495 timesteps/s
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0003686  | 0.0003686  | 0.0003686  |   0.0 |  0.01
+Kspace  | 2.9749     | 2.9749     | 2.9749     |   0.0 | 99.65
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0049963  | 0.0049963  | 0.0049963  |   0.0 |  0.17
+Output  | 0.00027728 | 0.00027728 | 0.00027728 |   0.0 |  0.01
+Modify  | 0.0031269  | 0.0031269  | 0.0031269  |   0.0 |  0.10
+Other   |            | 0.001828   |            |       |  0.06
+
+Nlocal:    4096 ave 4096 max 4096 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9728 ave 9728 max 9728 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    524288 ave 524288 max 524288 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 524288
+Ave neighs/atom = 128
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.g++.4
new file mode 100644
index 0000000000..23f55fc5a6
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.g++.4
@@ -0,0 +1,102 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  charge
+
+read_data data.NaCl
+  orthogonal box = (0 0 0) to (1 1 1)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  8 atoms
+
+replicate 8 8 8
+  orthogonal box = (0 0 0) to (8 8 8)
+  1 by 2 by 2 MPI processor grid
+  4096 atoms
+  Time spent = 0.00012064 secs
+
+velocity	all create 1.5 49893
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix             1 all nve
+
+# LAMMPS computes pairwise and long-range Coulombics
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+# Scafacos computes entire long-range Coulombics
+# use dummy pair style to perform atom sorting
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+#fix		2 all scafacos p3m tolerance field 0.001
+
+kspace_style    scafacos p3m 0.001
+#kspace_style    scafacos tolerance field
+
+timestep	0.005
+thermo          10
+
+run		100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.008 | 4.008 | 4.008 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          1.5   -1.7475814            0   0.50186926     11.99707 
+      10    1.5000019   -1.7475841            0   0.50186935    11.997085 
+      20    1.4999837    -1.747556            0   0.50187017     11.99694 
+      30    1.4999022   -1.7474323            0   0.50187181    11.996288 
+      40    1.4997327   -1.7471824            0   0.50186744    11.994932 
+      50    1.4995318   -1.7468908            0   0.50185778    11.993326 
+      60     1.499542   -1.7469166            0    0.5018472    11.993407 
+      70    1.5003608   -1.7481509            0   0.50184084    11.999956 
+      80    1.5032406   -1.7524717            0    0.5018387    12.022989 
+      90    1.5107432   -1.7637208            0    0.5018408    12.082995 
+     100    1.5291549   -1.7913103            0   0.50186206    12.230252 
+Loop time of 1.04979 on 4 procs for 100 steps with 4096 atoms
+
+Performance: 41150.904 tau/day, 95.257 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00021386 | 0.00022691 | 0.00023532 |   0.0 |  0.02
+Kspace  | 1.0351     | 1.0353     | 1.0354     |   0.0 | 98.61
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0092776  | 0.0094286  | 0.0095558  |   0.1 |  0.90
+Output  | 0.00019121 | 0.00050998 | 0.0014408  |   0.0 |  0.05
+Modify  | 0.0019102  | 0.0019451  | 0.0019991  |   0.1 |  0.19
+Other   |            | 0.002431   |            |       |  0.23
+
+Nlocal:    1024 ave 1024 max 1024 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    5120 ave 5120 max 5120 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    131072 ave 131072 max 131072 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 524288
+Ave neighs/atom = 128
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:01
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.1 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.1
similarity index 69%
rename from examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.1
index b0a47e4f98..2d3ca0d588 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.1
@@ -1,13 +1,12 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
 atom_style  charge
 
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   1000 atoms
@@ -45,51 +44,51 @@ Neighbor list info ...
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2
   ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
+  binsize = 1, bins = 103 103 103
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
   (1) pair zero, perpetual
       attributes: half, newton on
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 10.3 | 10.3 | 10.3 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.44 | 10.44 | 10.44 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777512            0    272.51604   0.17462195 
-       5    286.36222    -4.382053            0    424.73173   0.26918926 
-       6    481.42206   -4.3095567            0     717.1014   0.45274088 
-       7    488.59167   -3.8685194            0     728.2861   0.45956866 
-       8    497.85287   -3.0417966            0    742.99073   0.46838116 
-       9    499.61615    -3.419003            0     745.2558   0.46983345 
-      10    502.63684   -2.8360961            0    750.36521   0.47280809 
-      11     504.4846   -2.7628105            0    753.20736   0.47462793 
-      12    506.54485   -2.8460356            0    756.21142   0.47651441 
-      13    508.27211    -2.730935            0    758.91482   0.47813752 
-      14    510.57045   -2.6094877            0    762.48033   0.48031431 
-      15    513.14798   -2.7150827            0    766.23717   0.48275229 
-      16    515.78124   -2.3961811            0    770.50201   0.48526333 
-      17    515.70265   -2.2982683            0    770.48215   0.48526617 
-      18     515.7081   -2.1515983            0    770.63699   0.48530393 
-      19    515.74906   -2.0581436            0    770.79182   0.48530977 
-      20    515.70883   -1.8922577            0    770.89742   0.48527105 
-Loop time of 0.465839 on 1 procs for 20 steps with 1000 atoms
+       0          1.5  -0.62417787            0    1.6235721 0.0015226607 
+       1    18.780041   -10.770002            0    17.371889   0.01623671 
+       2    65.289192   -11.084705            0    86.751149  0.058612772 
+       3    121.92987   -7.0625759            0    175.64933   0.11076005 
+       4    185.78164   -5.8777512            0    272.51604   0.16958509 
+       5    286.36222    -4.382053            0    424.73173   0.26142467 
+       6    481.42206   -4.3095567            0     717.1014   0.43968187 
+       7    488.59167   -3.8685194            0     728.2861    0.4463127 
+       8    497.85287   -3.0417966            0    742.99073   0.45487101 
+       9    499.61615    -3.419003            0     745.2558   0.45628141 
+      10    502.63684   -2.8360961            0    750.36521   0.45917024 
+      11     504.4846   -2.7628105            0    753.20736   0.46093759 
+      12    506.54485   -2.8460356            0    756.21142   0.46276966 
+      13    508.27211    -2.730935            0    758.91482   0.46434596 
+      14    510.57045   -2.6094877            0    762.48033   0.46645996 
+      15    513.14798   -2.7150827            0    766.23717   0.46882762 
+      16    515.78124   -2.3961811            0    770.50201   0.47126623 
+      17    515.70265   -2.2982683            0    770.48215   0.47126898 
+      18     515.7081   -2.1515983            0    770.63699   0.47130565 
+      19    515.74906   -2.0581436            0    770.79182   0.47131132 
+      20    515.70883   -1.8922577            0    770.89742   0.47127372 
+Loop time of 0.139386 on 1 procs for 20 steps with 1000 atoms
 
-Performance: 18547.165 tau/day, 42.933 timesteps/s
-99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 61985.954 tau/day, 143.486 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00021982 | 0.00021982 | 0.00021982 |   0.0 |  0.05
-Kspace  | 0.3218     | 0.3218     | 0.3218     |   0.0 | 69.08
-Neigh   | 0.14249    | 0.14249    | 0.14249    |   0.0 | 30.59
-Comm    | 0.00014853 | 0.00014853 | 0.00014853 |   0.0 |  0.03
-Output  | 0.00026131 | 0.00026131 | 0.00026131 |   0.0 |  0.06
-Modify  | 0.00055146 | 0.00055146 | 0.00055146 |   0.0 |  0.12
-Other   |            | 0.0003715  |            |       |  0.08
+Pair    | 5.4359e-05 | 5.4359e-05 | 5.4359e-05 |   0.0 |  0.04
+Kspace  | 0.1018     | 0.1018     | 0.1018     |   0.0 | 73.03
+Neigh   | 0.037074   | 0.037074   | 0.037074   |   0.0 | 26.60
+Comm    | 4.6492e-05 | 4.6492e-05 | 4.6492e-05 |   0.0 |  0.03
+Output  | 0.00016332 | 0.00016332 | 0.00016332 |   0.0 |  0.12
+Modify  | 0.000139   | 0.000139   | 0.000139   |   0.0 |  0.10
+Other   |            | 0.0001132  |            |       |  0.08
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.4 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.4
similarity index 64%
rename from examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.4
index 1235c0a3cd..085958d351 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.direct.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.direct.g++.4
@@ -1,13 +1,12 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
 atom_style  charge
 
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
   1 by 2 by 2 MPI processor grid
   reading atoms ...
   1000 atoms
@@ -45,58 +44,58 @@ Neighbor list info ...
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2
   ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
+  binsize = 1, bins = 103 103 103
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
   (1) pair zero, perpetual
       attributes: half, newton on
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.837 | 5.123 | 5.6 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.882 | 5.463 | 7.161 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777512            0    272.51604   0.17462195 
-       5    286.36222    -4.382053            0    424.73173   0.26918926 
-       6    481.42206   -4.3095567            0     717.1014   0.45274088 
-       7    488.59167   -3.8685194            0     728.2861   0.45956866 
-       8    497.85287   -3.0417966            0    742.99073   0.46838116 
-       9    499.61615    -3.419003            0     745.2558   0.46983345 
-      10    502.63684   -2.8360961            0    750.36521   0.47280809 
-      11     504.4846   -2.7628105            0    753.20736   0.47462793 
-      12    506.54485   -2.8460356            0    756.21142   0.47651441 
-      13    508.27211    -2.730935            0    758.91482   0.47813752 
-      14    510.57045   -2.6094877            0    762.48033   0.48031431 
-      15    513.14798   -2.7150827            0    766.23717   0.48275229 
-      16    515.78124   -2.3961811            0    770.50201   0.48526333 
-      17    515.70265   -2.2982683            0    770.48215   0.48526617 
-      18     515.7081   -2.1515983            0    770.63699   0.48530393 
-      19    515.74906   -2.0581436            0    770.79182   0.48530977 
-      20    515.70883   -1.8922577            0    770.89742   0.48527105 
-Loop time of 0.161335 on 4 procs for 20 steps with 1000 atoms
+       0          1.5  -0.62417787            0    1.6235721 0.0015226607 
+       1    18.780041   -10.770002            0    17.371889   0.01623671 
+       2    65.289192   -11.084705            0    86.751149  0.058612772 
+       3    121.92987   -7.0625759            0    175.64933   0.11076005 
+       4    185.78164   -5.8777512            0    272.51604   0.16958509 
+       5    286.36222    -4.382053            0    424.73173   0.26142467 
+       6    481.42206   -4.3095567            0     717.1014   0.43968187 
+       7    488.59167   -3.8685194            0     728.2861    0.4463127 
+       8    497.85287   -3.0417966            0    742.99073   0.45487101 
+       9    499.61615    -3.419003            0     745.2558   0.45628141 
+      10    502.63684   -2.8360961            0    750.36521   0.45917024 
+      11     504.4846   -2.7628105            0    753.20736   0.46093759 
+      12    506.54485   -2.8460356            0    756.21142   0.46276966 
+      13    508.27211    -2.730935            0    758.91482   0.46434596 
+      14    510.57045   -2.6094877            0    762.48033   0.46645996 
+      15    513.14798   -2.7150827            0    766.23717   0.46882762 
+      16    515.78124   -2.3961811            0    770.50201   0.47126623 
+      17    515.70265   -2.2982683            0    770.48215   0.47126898 
+      18     515.7081   -2.1515983            0    770.63699   0.47130565 
+      19    515.74906   -2.0581436            0    770.79182   0.47131132 
+      20    515.70883   -1.8922577            0    770.89742   0.47127372 
+Loop time of 0.100977 on 4 procs for 20 steps with 1000 atoms
 
-Performance: 53553.228 tau/day, 123.966 timesteps/s
-99.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 85564.440 tau/day, 198.066 timesteps/s
+95.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00022721 | 0.00023353 | 0.000247   |   0.0 |  0.14
-Kspace  | 0.10295    | 0.11808    | 0.13377    |   3.5 | 73.19
-Neigh   | 0.023849   | 0.039717   | 0.055031   |   6.1 | 24.62
-Comm    | 0.0023148  | 0.0025774  | 0.0028391  |   0.4 |  1.60
-Output  | 0.00029063 | 0.00038403 | 0.00050664 |   0.0 |  0.24
-Modify  | 0.00015664 | 0.00015944 | 0.00016165 |   0.0 |  0.10
-Other   |            | 0.0001805  |            |       |  0.11
+Pair    | 5.1975e-05 | 5.3406e-05 | 5.4836e-05 |   0.0 |  0.05
+Kspace  | 0.07448    | 0.084484   | 0.08939    |   2.0 | 83.67
+Neigh   | 0.006777   | 0.012519   | 0.023358   |   5.7 | 12.40
+Comm    | 0.0011938  | 0.0020879  | 0.0029798  |   1.8 |  2.07
+Output  | 0.00024247 | 0.00065064 | 0.0016594  |   0.0 |  0.64
+Modify  | 1.812e-05  | 5.3406e-05 | 0.00014162 |   0.0 |  0.05
+Other   |            | 0.001127   |            |       |  1.12
 
-Nlocal:    250 ave 259 max 238 min
-Histogram: 1 0 0 1 0 0 0 0 0 2
-Nghost:    672.25 ave 683 max 663 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    61954.2 ave 97157 max 25016 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
+Nlocal:    250 ave 518 max 78 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Nghost:    659 ave 791 max 430 min
+Histogram: 1 0 0 0 0 0 0 1 1 1
+Neighs:    61954.2 ave 115962 max 19730 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
 
 Total # of neighbors = 247817
 Ave neighs/atom = 247.817
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.1 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.1
similarity index 65%
rename from examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.1
index 4bef247e26..94ac525119 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.1
@@ -1,13 +1,12 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
 atom_style  charge
 
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   1000 atoms
@@ -49,51 +48,51 @@ Neighbor list info ...
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2
   ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
+  binsize = 1, bins = 103 103 103
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
   (1) pair zero, perpetual
       attributes: half, newton on
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 10.3 | 10.3 | 10.3 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.44 | 10.44 | 10.44 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417141            0    1.6235786 0.0015676581 
-       1    18.780412   -10.770009            0    17.372438  0.016719188 
-       2    65.294131   -11.084501            0    86.758754   0.06035827 
-       3    121.92555   -7.0612033            0    175.64423    0.1140457 
-       4    185.71165   -5.8781334            0    272.41077   0.17455524 
-       5    286.28339   -4.3800108            0    424.61565   0.26911306 
-       6    481.28097   -4.3052012            0    716.89433   0.45262045 
-       7    487.26022   -3.8672741            0    726.29216   0.45830216 
-       8    493.65478   -3.0242687            0    736.71742   0.46443761 
-       9    495.66203   -3.4336343            0    739.31592   0.46613014 
-      10    498.41831   -2.8837072            0    743.99613   0.46887706 
-      11    499.20944   -2.7724783            0    745.29287   0.46966875 
-      12    500.97345   -2.8281484            0    747.88057   0.47126462 
-      13    507.46412   -2.7752775            0    757.65971   0.47728761 
-      14    525.35729   -2.5749814            0    784.67292   0.49422171 
-      15     563.9578   -2.9982381            0    842.09253   0.53043696 
-      16    645.47602   -2.5519203            0    964.69389   0.60730795 
-      17    647.09276   -2.2568468            0    967.41166   0.60891914 
-      18    647.12596   -2.2791003            0    967.43915   0.60900309 
-      19    647.24862   -2.2495226            0    967.65253   0.60908339 
-      20    647.51175   -2.0239179            0    968.27244   0.60932598 
-Loop time of 0.797289 on 1 procs for 20 steps with 1000 atoms
+       0          1.5  -0.62417141            0    1.6235786   0.00152244 
+       1    18.780412   -10.770009            0    17.372438  0.016236934 
+       2    65.294131   -11.084501            0    86.758754  0.058617275 
+       3    121.92555   -7.0612033            0    175.64423   0.11075612 
+       4    185.71165   -5.8781334            0    272.41077   0.16952031 
+       5    286.28339   -4.3800108            0    424.61565   0.26135067 
+       6    481.28097   -4.3052012            0    716.89433   0.43956491 
+       7    487.26022   -3.8672741            0    726.29216   0.44508273 
+       8    493.65478   -3.0242687            0    736.71742   0.45104121 
+       9    495.66203   -3.4336343            0    739.31592   0.45268492 
+      10    498.41831   -2.8837072            0    743.99613    0.4553526 
+      11    499.20944   -2.7724783            0    745.29287   0.45612146 
+      12    500.97345   -2.8281484            0    747.88057    0.4576713 
+      13    507.46412   -2.7752775            0    757.65971   0.46352056 
+      14    525.35729   -2.5749814            0    784.67292   0.47996621 
+      15     563.9578   -2.9982381            0    842.09253   0.51513685 
+      16    645.47602   -2.5519203            0    964.69389   0.58979054 
+      17    647.09276   -2.2568468            0    967.41166   0.59135526 
+      18    647.12596   -2.2791003            0    967.43915   0.59143679 
+      19    647.24862   -2.2495226            0    967.65253   0.59151478 
+      20    647.51175   -2.0239179            0    968.27244   0.59175037 
+Loop time of 0.345449 on 1 procs for 20 steps with 1000 atoms
 
-Performance: 10836.721 tau/day, 25.085 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 25010.947 tau/day, 57.896 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00022364 | 0.00022364 | 0.00022364 |   0.0 |  0.03
-Kspace  | 0.6524     | 0.6524     | 0.6524     |   0.0 | 81.83
-Neigh   | 0.14312    | 0.14312    | 0.14312    |   0.0 | 17.95
-Comm    | 0.00020337 | 0.00020337 | 0.00020337 |   0.0 |  0.03
-Output  | 0.00036621 | 0.00036621 | 0.00036621 |   0.0 |  0.05
-Modify  | 0.00058126 | 0.00058126 | 0.00058126 |   0.0 |  0.07
-Other   |            | 0.0003934  |            |       |  0.05
+Pair    | 6.485e-05  | 6.485e-05  | 6.485e-05  |   0.0 |  0.02
+Kspace  | 0.30702    | 0.30702    | 0.30702    |   0.0 | 88.88
+Neigh   | 0.037661   | 0.037661   | 0.037661   |   0.0 | 10.90
+Comm    | 5.4598e-05 | 5.4598e-05 | 5.4598e-05 |   0.0 |  0.02
+Output  | 0.00032878 | 0.00032878 | 0.00032878 |   0.0 |  0.10
+Modify  | 0.00016141 | 0.00016141 | 0.00016141 |   0.0 |  0.05
+Other   |            | 0.0001564  |            |       |  0.05
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -106,4 +105,4 @@ Total # of neighbors = 244342
 Ave neighs/atom = 244.342
 Neighbor list builds = 19
 Dangerous builds = 18
-Total wall time: 0:00:01
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.4 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.4
similarity index 60%
rename from examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.4
index e3f5bf44c9..79137934ab 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.fmm.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.4
@@ -1,13 +1,12 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
 atom_style  charge
 
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
   1 by 2 by 2 MPI processor grid
   reading atoms ...
   1000 atoms
@@ -49,58 +48,58 @@ Neighbor list info ...
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2
   ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
+  binsize = 1, bins = 103 103 103
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
   (1) pair zero, perpetual
       attributes: half, newton on
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 4.837 | 5.123 | 5.6 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 4.882 | 5.463 | 7.161 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417141            0    1.6235786 0.0015676581 
-       1    18.780412   -10.770009            0    17.372438  0.016719188 
-       2    65.294131   -11.084501            0    86.758754   0.06035827 
-       3    121.92555   -7.0612033            0    175.64423    0.1140457 
-       4    185.71165   -5.8781334            0    272.41077   0.17455524 
-       5    286.28339   -4.3800108            0    424.61565   0.26911306 
-       6    481.28097   -4.3052012            0    716.89433   0.45262045 
-       7    487.26022   -3.8672741            0    726.29216   0.45830216 
-       8    493.65478   -3.0242687            0    736.71742   0.46443761 
-       9    495.66203   -3.4336343            0    739.31592   0.46613014 
-      10    498.41831   -2.8837072            0    743.99613   0.46887706 
-      11    499.20944   -2.7724783            0    745.29287   0.46966875 
-      12    500.97345   -2.8281484            0    747.88057   0.47126462 
-      13    507.46412   -2.7752775            0    757.65971   0.47728761 
-      14    525.35729   -2.5749814            0    784.67292   0.49422171 
-      15     563.9578   -2.9982381            0    842.09253   0.53043696 
-      16    645.47602   -2.5519203            0    964.69389   0.60730795 
-      17    647.09276   -2.2568468            0    967.41166   0.60891914 
-      18    647.12596   -2.2791003            0    967.43915   0.60900309 
-      19    647.24862   -2.2495226            0    967.65253   0.60908339 
-      20    647.51175   -2.0239179            0    968.27244   0.60932598 
-Loop time of 0.666895 on 4 procs for 20 steps with 1000 atoms
+       0          1.5  -0.62417141            0    1.6235786   0.00152244 
+       1    18.780412   -10.770009            0    17.372438  0.016236934 
+       2    65.294131   -11.084501            0    86.758754  0.058617275 
+       3    121.92555   -7.0612033            0    175.64423   0.11075612 
+       4    185.71165   -5.8781334            0    272.41077   0.16952031 
+       5    286.28339   -4.3800108            0    424.61565   0.26135067 
+       6    481.28097   -4.3052012            0    716.89433   0.43956491 
+       7    487.26022   -3.8672741            0    726.29216   0.44508273 
+       8    493.65478   -3.0242687            0    736.71742   0.45104121 
+       9    495.66203   -3.4336343            0    739.31592   0.45268492 
+      10    498.41831   -2.8837072            0    743.99613    0.4553526 
+      11    499.20944   -2.7724783            0    745.29287   0.45612146 
+      12    500.97345   -2.8281484            0    747.88057    0.4576713 
+      13    507.46412   -2.7752775            0    757.65971   0.46352056 
+      14    525.35729   -2.5749814            0    784.67292   0.47996621 
+      15     563.9578   -2.9982381            0    842.09253   0.51513685 
+      16    645.47602   -2.5519203            0    964.69389   0.58979054 
+      17    647.09276   -2.2568468            0    967.41166   0.59135526 
+      18    647.12596   -2.2791003            0    967.43915   0.59143679 
+      19    647.24862   -2.2495226            0    967.65253   0.59151478 
+      20    647.51175   -2.0239179            0    968.27244   0.59175037 
+Loop time of 0.357618 on 4 procs for 20 steps with 1000 atoms
 
-Performance: 12955.555 tau/day, 29.990 timesteps/s
-99.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 24159.843 tau/day, 55.926 timesteps/s
+96.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0002284  | 0.00024879 | 0.00025725 |   0.0 |  0.04
-Kspace  | 0.6085     | 0.62278    | 0.6386     |   1.6 | 93.38
-Neigh   | 0.023998   | 0.040044   | 0.054552   |   6.2 |  6.00
-Comm    | 0.0025489  | 0.0028656  | 0.0031898  |   0.4 |  0.43
-Output  | 0.0004077  | 0.00053912 | 0.00071406 |   0.0 |  0.08
-Modify  | 0.00017953 | 0.00018525 | 0.00020218 |   0.0 |  0.03
-Other   |            | 0.0002366  |            |       |  0.04
+Pair    | 5.9605e-05 | 6.2883e-05 | 6.8426e-05 |   0.0 |  0.02
+Kspace  | 0.32759    | 0.3385     | 0.34421    |   1.1 | 94.65
+Neigh   | 0.0090706  | 0.014676   | 0.025457   |   5.3 |  4.10
+Comm    | 0.0013905  | 0.0015741  | 0.0017447  |   0.3 |  0.44
+Output  | 0.00034785 | 0.00099462 | 0.0026579  |   0.0 |  0.28
+Modify  | 5.2929e-05 | 8.3923e-05 | 0.00015783 |   0.0 |  0.02
+Other   |            | 0.001731   |            |       |  0.48
 
-Nlocal:    250 ave 259 max 240 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Nghost:    668.75 ave 679 max 657 min
-Histogram: 1 0 0 0 0 1 1 0 0 1
-Neighs:    61085.5 ave 95363 max 24964 min
-Histogram: 1 0 0 1 0 0 0 1 0 1
+Nlocal:    250 ave 512 max 84 min
+Histogram: 1 0 2 0 0 0 0 0 0 1
+Nghost:    655.75 ave 784 max 433 min
+Histogram: 1 0 0 0 0 0 0 1 1 1
+Neighs:    61085.5 ave 111012 max 21779 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
 
 Total # of neighbors = 244342
 Ave neighs/atom = 244.342
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.1 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.1
similarity index 52%
rename from examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.1
index f8a85c6c6b..9fa1677017 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.hsph.g++.p2nfft.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.1
@@ -1,13 +1,12 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
 units		lj
 atom_style  charge
 
-read_data data.hammersley_shphere
-  orthogonal box = (-50.5 -50.5 -50.5) to (51.5 51.5 51.5)
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
   1 by 1 by 1 MPI processor grid
   reading atoms ...
   1000 atoms
@@ -47,51 +46,51 @@ Neighbor list info ...
   max neighbors/atom: 2000, page size: 100000
   master list distance cutoff = 2
   ghost atom cutoff = 2
-  binsize = 1, bins = 102 102 102
+  binsize = 1, bins = 103 103 103
   1 neighbor lists, perpetual/occasional/extra = 1 0 0
   (1) pair zero, perpetual
       attributes: half, newton on
       pair build: half/bin/atomonly/newton
       stencil: half/bin/3d/newton
       bin: standard
-Per MPI rank memory allocation (min/avg/max) = 10.3 | 10.3 | 10.3 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 10.44 | 10.44 | 10.44 Mbytes
 Step Temp E_pair E_mol TotEng Press 
-       0          1.5  -0.62417787            0    1.6235721 0.0015678854 
-       1    18.780041   -10.770002            0    17.371889  0.016718957 
-       2    65.289192   -11.084705            0    86.751149  0.060353634 
-       3    121.92987   -7.0625759            0    175.64933   0.11404974 
-       4    185.78164   -5.8777511            0    272.51603   0.17462194 
-       5    286.36221   -4.3820531            0    424.73172   0.26918925 
-       6    481.42203   -4.3095567            0    717.10136   0.45274086 
-       7    488.59165   -3.8685193            0    728.28607   0.45956865 
-       8    497.85288   -3.0417938            0    742.99075   0.46838117 
-       9    499.61619   -3.4190063            0    745.25585   0.46983349 
-      10    502.63691   -2.8360951            0    750.36531   0.47280815 
-      11     504.4847   -2.7628089            0    753.20751   0.47462802 
-      12    506.54494   -2.8460319            0    756.21157    0.4765145 
-      13     508.2722   -2.7309328            0    758.91497   0.47813761 
-      14    510.57053   -2.6094792            0    762.48045   0.48031438 
-      15    513.14804   -2.7150819            0    766.23726   0.48275234 
-      16    515.78127   -2.3961749            0    770.50206   0.48526336 
-      17    515.70267   -2.2982581            0    770.48219   0.48526619 
-      18    515.70813   -2.1516075            0    770.63702   0.48530395 
-      19    515.74908   -2.0581483            0    770.79185   0.48530979 
-      20    515.70881    -1.892235            0    770.89742   0.48527104 
-Loop time of 1.06008 on 1 procs for 20 steps with 1000 atoms
+       0          1.5  -0.62417787            0    1.6235721 0.0015226607 
+       1    18.780041   -10.770002            0    17.371889   0.01623671 
+       2    65.289192   -11.084705            0    86.751149  0.058612772 
+       3    121.92987   -7.0625759            0    175.64933   0.11076005 
+       4    185.78164   -5.8777511            0    272.51603   0.16958509 
+       5    286.36221   -4.3820531            0    424.73172   0.26142466 
+       6    481.42203   -4.3095567            0    717.10136   0.43968184 
+       7    488.59165   -3.8685193            0    728.28608   0.44631269 
+       8    497.85288   -3.0417938            0    742.99075   0.45487102 
+       9    499.61619   -3.4190062            0    745.25585   0.45628145 
+      10    502.63691   -2.8360951            0    750.36531   0.45917031 
+      11     504.4847    -2.762809            0    753.20751   0.46093768 
+      12    506.54494    -2.846032            0    756.21156   0.46276975 
+      13     508.2722   -2.7309328            0    758.91496   0.46434604 
+      14    510.57052   -2.6094795            0    762.48045   0.46646002 
+      15    513.14804    -2.715082            0    766.23725   0.46882767 
+      16    515.78127    -2.396175            0    770.50206   0.47126626 
+      17    515.70267   -2.2982584            0    770.48219   0.47126901 
+      18    515.70813   -2.1516073            0    770.63702   0.47130567 
+      19    515.74908   -2.0581482            0    770.79185   0.47131134 
+      20    515.70881   -1.8922354            0    770.89742   0.47127371 
+Loop time of 0.313936 on 1 procs for 20 steps with 1000 atoms
 
-Performance: 8150.306 tau/day, 18.866 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 27521.533 tau/day, 63.707 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00022078 | 0.00022078 | 0.00022078 |   0.0 |  0.02
-Kspace  | 0.91611    | 0.91611    | 0.91611    |   0.0 | 86.42
-Neigh   | 0.14232    | 0.14232    | 0.14232    |   0.0 | 13.43
-Comm    | 0.00015092 | 0.00015092 | 0.00015092 |   0.0 |  0.01
-Output  | 0.00033736 | 0.00033736 | 0.00033736 |   0.0 |  0.03
-Modify  | 0.00056243 | 0.00056243 | 0.00056243 |   0.0 |  0.05
-Other   |            | 0.0003803  |            |       |  0.04
+Pair    | 5.7697e-05 | 5.7697e-05 | 5.7697e-05 |   0.0 |  0.02
+Kspace  | 0.27613    | 0.27613    | 0.27613    |   0.0 | 87.96
+Neigh   | 0.037193   | 0.037193   | 0.037193   |   0.0 | 11.85
+Comm    | 4.9591e-05 | 4.9591e-05 | 4.9591e-05 |   0.0 |  0.02
+Output  | 0.00022483 | 0.00022483 | 0.00022483 |   0.0 |  0.07
+Modify  | 0.00014615 | 0.00014615 | 0.00014615 |   0.0 |  0.05
+Other   |            | 0.0001338  |            |       |  0.04
 
 Nlocal:    1000 ave 1000 max 1000 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -104,4 +103,4 @@ Total # of neighbors = 247817
 Ave neighs/atom = 247.817
 Neighbor list builds = 19
 Dangerous builds = 18
-Total wall time: 0:00:01
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.4
new file mode 100644
index 0000000000..a41a3d9685
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.hsph.p2nfft.g++.4
@@ -0,0 +1,106 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  charge
+
+read_data data.hammersley_sphere
+  orthogonal box = (-51.5 -51.5 -51.5) to (51.5 51.5 51.5)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  1000 atoms
+change_box all boundary f f f
+
+velocity	all create 1.5 49893
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix             1 all nve
+
+# LAMMPS computes pairwise and long-range Coulombics
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+# Scafacos computes entire long-range Coulombics
+# use dummy pair style to perform atom sorting
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+#fix		2 all scafacos p3m tolerance field 0.001
+
+kspace_style    scafacos p2nfft 0.001
+kspace_modify scafacos tolerance potential
+
+timestep	0.005
+thermo          1
+
+run		20
+Setting up ScaFaCoS with solver p2nfft ...
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 103 103 103
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.882 | 5.463 | 7.161 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          1.5  -0.62417787            0    1.6235721 0.0015226607 
+       1    18.780041   -10.770002            0    17.371889   0.01623671 
+       2    65.289192   -11.084705            0    86.751149  0.058612772 
+       3    121.92987   -7.0625759            0    175.64933   0.11076005 
+       4    185.78164   -5.8777511            0    272.51603   0.16958509 
+       5    286.36221   -4.3820531            0    424.73172   0.26142466 
+       6    481.42203   -4.3095567            0    717.10136   0.43968184 
+       7    488.59165   -3.8685193            0    728.28608   0.44631269 
+       8    497.85288   -3.0417938            0    742.99075   0.45487102 
+       9    499.61619   -3.4190062            0    745.25585   0.45628145 
+      10    502.63691   -2.8360951            0    750.36531   0.45917031 
+      11     504.4847    -2.762809            0    753.20751   0.46093768 
+      12    506.54494    -2.846032            0    756.21156   0.46276975 
+      13     508.2722   -2.7309328            0    758.91496   0.46434604 
+      14    510.57052   -2.6094795            0    762.48045   0.46646002 
+      15    513.14804    -2.715082            0    766.23725   0.46882767 
+      16    515.78127    -2.396175            0    770.50206   0.47126626 
+      17    515.70267   -2.2982584            0    770.48219   0.47126901 
+      18    515.70813   -2.1516073            0    770.63702   0.47130567 
+      19    515.74908   -2.0581482            0    770.79185   0.47131134 
+      20    515.70881   -1.8922354            0    770.89742   0.47127371 
+Loop time of 0.283172 on 4 procs for 20 steps with 1000 atoms
+
+Performance: 30511.451 tau/day, 70.628 timesteps/s
+94.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 5.8413e-05 | 6.2227e-05 | 6.8665e-05 |   0.0 |  0.02
+Kspace  | 0.2548     | 0.26559    | 0.27139    |   1.2 | 93.79
+Neigh   | 0.0083673  | 0.014062   | 0.024744   |   5.3 |  4.97
+Comm    | 0.0013778  | 0.0014804  | 0.0015941  |   0.2 |  0.52
+Output  | 0.00029898 | 0.00072974 | 0.0017858  |   0.0 |  0.26
+Modify  | 3.6001e-05 | 6.3002e-05 | 0.00013065 |   0.0 |  0.02
+Other   |            | 0.001181   |            |       |  0.42
+
+Nlocal:    250 ave 518 max 78 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Nghost:    659 ave 791 max 430 min
+Histogram: 1 0 0 0 0 0 0 1 1 1
+Neighs:    61954.2 ave 115962 max 19730 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 247817
+Ave neighs/atom = 247.817
+Neighbor list builds = 19
+Dangerous builds = 18
+Total wall time: 0:00:00
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.1 b/examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.1
similarity index 80%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.1
rename to examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.1
index 1876a0e52b..2993de6329 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.1
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 1 by 1 MPI processor grid
   4096 atoms
-  Time spent = 0.00049448 secs
+  Time spent = 0.000288725 secs
 
 velocity	all create 1.5 49893
 
@@ -72,21 +71,21 @@ Step Temp E_pair E_mol TotEng Press
       80    1.5033149   -1.7524495            0   0.50197233     10.46585 
       90    1.5108219   -1.7637095            0   0.50197005    10.515883 
      100     1.529239   -1.7913105            0     0.501988    10.638649 
-Loop time of 18.1113 on 1 procs for 100 steps with 4096 atoms
+Loop time of 7.17417 on 1 procs for 100 steps with 4096 atoms
 
-Performance: 2385.257 tau/day, 5.521 timesteps/s
-100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 6021.602 tau/day, 13.939 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.0014985  | 0.0014985  | 0.0014985  |   0.0 |  0.01
-Kspace  | 18.079     | 18.079     | 18.079     |   0.0 | 99.82
+Pair    | 0.00037169 | 0.00037169 | 0.00037169 |   0.0 |  0.01
+Kspace  | 7.1639     | 7.1639     | 7.1639     |   0.0 | 99.86
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.014229   | 0.014229   | 0.014229   |   0.0 |  0.08
-Output  | 0.0004642  | 0.0004642  | 0.0004642  |   0.0 |  0.00
-Modify  | 0.011227   | 0.011227   | 0.011227   |   0.0 |  0.06
-Other   |            | 0.004455   |            |       |  0.02
+Comm    | 0.0048451  | 0.0048451  | 0.0048451  |   0.0 |  0.07
+Output  | 0.00030565 | 0.00030565 | 0.00030565 |   0.0 |  0.00
+Modify  | 0.0029933  | 0.0029933  | 0.0029933  |   0.0 |  0.04
+Other   |            | 0.001761   |            |       |  0.02
 
 Nlocal:    4096 ave 4096 max 4096 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -99,4 +98,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:21
+Total wall time: 0:00:07
diff --git a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.4 b/examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.4
similarity index 79%
rename from examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.4
rename to examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.4
index bf4494df8b..19db90d822 100644
--- a/examples/USER/scafacos/log.08Aug18.scafacos.g++.p2nfft.4
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.p2nfft.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (2 Aug 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Point dipoles in a 2d box
 
@@ -16,7 +15,7 @@ replicate 8 8 8
   orthogonal box = (0 0 0) to (8 8 8)
   1 by 2 by 2 MPI processor grid
   4096 atoms
-  Time spent = 0.000260592 secs
+  Time spent = 0.000186443 secs
 
 velocity	all create 1.5 49893
 
@@ -72,21 +71,21 @@ Step Temp E_pair E_mol TotEng Press
       80    1.5033149   -1.7524495            0   0.50197233     10.46585 
       90    1.5108219   -1.7637095            0   0.50197005    10.515883 
      100     1.529239   -1.7913105            0     0.501988    10.638649 
-Loop time of 5.09997 on 4 procs for 100 steps with 4096 atoms
+Loop time of 2.28914 on 4 procs for 100 steps with 4096 atoms
 
-Performance: 8470.643 tau/day, 19.608 timesteps/s
-99.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 18871.750 tau/day, 43.685 timesteps/s
+98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.00069928 | 0.00071001 | 0.00073647 |   0.0 |  0.01
-Kspace  | 5.0795     | 5.0796     | 5.0797     |   0.0 | 99.60
+Pair    | 0.00019193 | 0.00020188 | 0.00020981 |   0.0 |  0.01
+Kspace  | 2.2771     | 2.2771     | 2.2772     |   0.0 | 99.48
 Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.014101   | 0.014216   | 0.014331   |   0.1 |  0.28
-Output  | 0.00030541 | 0.00033581 | 0.00039625 |   0.0 |  0.01
-Modify  | 0.0030217  | 0.0030621  | 0.0030868  |   0.0 |  0.06
-Other   |            | 0.002036   |            |       |  0.04
+Comm    | 0.0075378  | 0.007587   | 0.0076075  |   0.0 |  0.33
+Output  | 0.00019574 | 0.00051248 | 0.0014374  |   0.0 |  0.02
+Modify  | 0.0014074  | 0.0014608  | 0.0014906  |   0.1 |  0.06
+Other   |            | 0.002247   |            |       |  0.10
 
 Nlocal:    1024 ave 1024 max 1024 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
@@ -99,4 +98,4 @@ Total # of neighbors = 524288
 Ave neighs/atom = 128
 Neighbor list builds = 0
 Dangerous builds = 0
-Total wall time: 0:00:05
+Total wall time: 0:00:02
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.1 b/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.1
new file mode 100644
index 0000000000..92e85e072e
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.1
@@ -0,0 +1,102 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  charge
+
+read_data data.NaCl
+  orthogonal box = (0 0 0) to (1 1 1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  8 atoms
+
+replicate 8 8 8
+  orthogonal box = (0 0 0) to (8 8 8)
+  1 by 1 by 1 MPI processor grid
+  4096 atoms
+  Time spent = 0.000295162 secs
+
+velocity	all create 1.5 49893
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix             1 all nve
+
+# LAMMPS computes pairwise and long-range Coulombics
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+# Scafacos computes entire long-range Coulombics
+# use dummy pair style to perform atom sorting
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+#fix		2 all scafacos p3m tolerance field 0.001
+
+kspace_style    scafacos p3m 0.001
+kspace_modify    scafacos tolerance field
+
+timestep	0.005
+thermo          10
+
+run		100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 5.813 | 5.813 | 5.813 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          1.5   -1.7475754            0    0.5018753     11.99707 
+      10    1.5000018   -1.7475781            0   0.50187528    11.997085 
+      20    1.4999833   -1.7475525            0   0.50187314    11.996937 
+      30    1.4999008   -1.7474408            0   0.50186112    11.996277 
+      40    1.4997303   -1.7471984            0    0.5018478    11.994913 
+      50    1.4995294   -1.7469059            0   0.50183901    11.993306 
+      60    1.4995402   -1.7469269            0   0.50183416    11.993392 
+      70      1.50036   -1.7481582            0   0.50183238     11.99995 
+      80    1.5032409   -1.7524778            0   0.50183303    12.022991 
+      90    1.5107445   -1.7637255            0   0.50183801    12.083005 
+     100    1.5291568   -1.7913136            0   0.50186158    12.230268 
+Loop time of 2.98343 on 1 procs for 100 steps with 4096 atoms
+
+Performance: 14479.957 tau/day, 33.518 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00035572 | 0.00035572 | 0.00035572 |   0.0 |  0.01
+Kspace  | 2.9729     | 2.9729     | 2.9729     |   0.0 | 99.65
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.005022   | 0.005022   | 0.005022   |   0.0 |  0.17
+Output  | 0.00027037 | 0.00027037 | 0.00027037 |   0.0 |  0.01
+Modify  | 0.003046   | 0.003046   | 0.003046   |   0.0 |  0.10
+Other   |            | 0.00182    |            |       |  0.06
+
+Nlocal:    4096 ave 4096 max 4096 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    9728 ave 9728 max 9728 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    524288 ave 524288 max 524288 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 524288
+Ave neighs/atom = 128
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:03
diff --git a/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.4 b/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.4
new file mode 100644
index 0000000000..18199eca16
--- /dev/null
+++ b/examples/USER/scafacos/log.27Nov18.scafacos.p3m.g++.4
@@ -0,0 +1,102 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  charge
+
+read_data data.NaCl
+  orthogonal box = (0 0 0) to (1 1 1)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  8 atoms
+
+replicate 8 8 8
+  orthogonal box = (0 0 0) to (8 8 8)
+  1 by 2 by 2 MPI processor grid
+  4096 atoms
+  Time spent = 0.000118017 secs
+
+velocity	all create 1.5 49893
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix             1 all nve
+
+# LAMMPS computes pairwise and long-range Coulombics
+
+#pair_style      coul/long 3.0
+#pair_coeff      * *
+#kspace_style    pppm 1.0e-3
+
+# Scafacos computes entire long-range Coulombics
+# use dummy pair style to perform atom sorting
+
+pair_style	zero 1.0
+pair_coeff	* *
+
+#fix		2 all scafacos p3m tolerance field 0.001
+
+kspace_style    scafacos p3m 0.001
+kspace_modify    scafacos tolerance field
+
+timestep	0.005
+thermo          10
+
+run		100
+Setting up ScaFaCoS with solver p3m ...
+WARNING: Virial computation for P3M not available (src/USER-SCAFACOS/scafacos.cpp:104)
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2
+  ghost atom cutoff = 2
+  binsize = 1, bins = 8 8 8
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair zero, perpetual
+      attributes: half, newton on
+      pair build: half/bin/atomonly/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 4.008 | 4.008 | 4.008 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          1.5   -1.7475797            0   0.50187096     11.99707 
+      10    1.5000019   -1.7475825            0   0.50187094    11.997085 
+      20    1.4999837   -1.7475551            0   0.50187104     11.99694 
+      30    1.4999024   -1.7474348            0   0.50186949    11.996289 
+      40    1.4997328    -1.747187            0   0.50186299    11.994934 
+      50     1.499532   -1.7468958            0   0.50185295    11.993327 
+      60    1.4995421     -1.74692            0   0.50184401    11.993408 
+      70    1.5003611   -1.7481536            0    0.5018387    11.999959 
+      80    1.5032412   -1.7524745            0   0.50183679    12.022994 
+      90     1.510744    -1.763723            0   0.50183979    12.083002 
+     100    1.5291558   -1.7913123            0    0.5018614     12.23026 
+Loop time of 1.10005 on 4 procs for 100 steps with 4096 atoms
+
+Performance: 39271.030 tau/day, 90.905 timesteps/s
+96.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0002172  | 0.00022924 | 0.0002377  |   0.0 |  0.02
+Kspace  | 1.0848     | 1.0849     | 1.085      |   0.0 | 98.62
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.010176   | 0.01062    | 0.01088    |   0.3 |  0.97
+Output  | 0.00019169 | 0.0003345  | 0.00075459 |   0.0 |  0.03
+Modify  | 0.001878   | 0.0018976  | 0.0019398  |   0.1 |  0.17
+Other   |            | 0.002097   |            |       |  0.19
+
+Nlocal:    1024 ave 1024 max 1024 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    5120 ave 5120 max 5120 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    131072 ave 131072 max 131072 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 524288
+Ave neighs/atom = 128
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:01

From 984f415196f1ef5aff5a6376ce82d3a56ff0c550 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Dec 2018 19:05:39 -0500
Subject: [PATCH 246/273] fix memory leak in fix plumed

---
 src/USER-PLUMED/fix_plumed.cpp | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index c0f67ea60a..f8b06fdbed 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -224,7 +224,8 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
   int ipe = modify->find_compute(id_pe);
   c_pe = modify->compute[ipe];
 
-// Define compute to calculate pressure tensor
+  // Define compute to calculate pressure tensor
+
   id_press = new char[9];
   id_press = (char *) "plmd_press";
   newarg = new char*[5];
@@ -268,6 +269,8 @@ FixPlumed::~FixPlumed()
   delete p;
   modify->delete_compute(id_pe);
   modify->delete_compute(id_press);
+  delete[] id_pe;
+  delete[] id_press;
   delete[] masses;
   delete[] charges;
   delete[] gatindex;
@@ -528,7 +531,8 @@ int FixPlumed::modify_param(int narg, char **arg)
 {
   if (strcmp(arg[0],"pe") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
-    modify->delete_compute(id_pe); delete [] id_pe;
+    modify->delete_compute(id_pe);
+    delete[] id_pe;
     int n = strlen(arg[1]) + 1;
     id_pe = new char[n];
     strcpy(id_pe,arg[1]);
@@ -546,7 +550,8 @@ int FixPlumed::modify_param(int narg, char **arg)
 
   } else if (strcmp(arg[0],"press") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
-    modify->delete_compute(id_press); delete [] id_press;
+    modify->delete_compute(id_press);
+    delete[] id_press;
     int n = strlen(arg[1]) + 1;
     id_press = new char[n];
     strcpy(id_press,arg[1]);

From 18f7e96e8a45485034f5f07773e3759c291b0aa6 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 6 Dec 2018 19:07:36 -0500
Subject: [PATCH 247/273] update log files for USER-PLUMED examples

---
 ...g++.1 => log.27Nov18.peptide-plumed.g++.1} | 29 ++++++++-------
 ...g++.4 => log.27Nov18.peptide-plumed.g++.4} | 35 +++++++++----------
 2 files changed, 31 insertions(+), 33 deletions(-)
 rename examples/USER/plumed/{log.24Oct18.peptide-plumed.g++.1 => log.27Nov18.peptide-plumed.g++.1} (83%)
 rename examples/USER/plumed/{log.24Oct18.peptide-plumed.g++.4 => log.27Nov18.peptide-plumed.g++.4} (81%)

diff --git a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1 b/examples/USER/plumed/log.27Nov18.peptide-plumed.g++.1
similarity index 83%
rename from examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1
rename to examples/USER/plumed/log.27Nov18.peptide-plumed.g++.1
index 9bf403fd27..eb67b96fce 100644
--- a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.1
+++ b/examples/USER/plumed/log.27Nov18.peptide-plumed.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (24 Oct 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -78,7 +77,7 @@ variable        pe equal pe
 
 run		101
 PPPM initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
@@ -107,7 +106,7 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 18.74 | 18.74 | 18.74 Mbytes
 Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
        0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152            0 
       10     276.9783   -5234.3057   -6348.6171    1114.3114   -6421.6171    17.024361   0.47785504 
@@ -130,22 +129,22 @@ SHAKE stats (type/ave/delta) on step 100
   31 104.52 0.000760401
      100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404 0.0094784372 
      101    270.99811   -5235.8295    -6326.082    1090.2525   -6418.8974    17.285816  0.086681332 
-Loop time of 2.12948 on 1 procs for 101 steps with 2004 atoms
+Loop time of 2.73445 on 1 procs for 101 steps with 2004 atoms
 
-Performance: 8.196 ns/day, 2.928 hours/ns, 47.429 timesteps/s
-99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+Performance: 6.383 ns/day, 3.760 hours/ns, 36.936 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 1.757      | 1.757      | 1.757      |   0.0 | 82.51
-Bond    | 0.0052233  | 0.0052233  | 0.0052233  |   0.0 |  0.25
-Kspace  | 0.14772    | 0.14772    | 0.14772    |   0.0 |  6.94
-Neigh   | 0.16455    | 0.16455    | 0.16455    |   0.0 |  7.73
-Comm    | 0.0083704  | 0.0083704  | 0.0083704  |   0.0 |  0.39
-Output  | 0.00031424 | 0.00031424 | 0.00031424 |   0.0 |  0.01
-Modify  | 0.044411   | 0.044411   | 0.044411   |   0.0 |  2.09
-Other   |            | 0.001851   |            |       |  0.09
+Pair    | 2.2617     | 2.2617     | 2.2617     |   0.0 | 82.71
+Bond    | 0.0044148  | 0.0044148  | 0.0044148  |   0.0 |  0.16
+Kspace  | 0.17883    | 0.17883    | 0.17883    |   0.0 |  6.54
+Neigh   | 0.23945    | 0.23945    | 0.23945    |   0.0 |  8.76
+Comm    | 0.011672   | 0.011672   | 0.011672   |   0.0 |  0.43
+Output  | 0.00028348 | 0.00028348 | 0.00028348 |   0.0 |  0.01
+Modify  | 0.0365     | 0.0365     | 0.0365     |   0.0 |  1.33
+Other   |            | 0.001611   |            |       |  0.06
 
 Nlocal:    2004 ave 2004 max 2004 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4 b/examples/USER/plumed/log.27Nov18.peptide-plumed.g++.4
similarity index 81%
rename from examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
rename to examples/USER/plumed/log.27Nov18.peptide-plumed.g++.4
index 771a0de1d0..72b851c2ff 100644
--- a/examples/USER/plumed/log.24Oct18.peptide-plumed.g++.4
+++ b/examples/USER/plumed/log.27Nov18.peptide-plumed.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (24 Oct 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:87)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -78,7 +77,7 @@ variable        pe equal pe
 
 run		101
 PPPM initialization ...
-  using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
@@ -107,7 +106,7 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 15.66 | 15.87 | 16.06 Mbytes
 Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
        0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152            0 
       10     276.9783   -5234.3057   -6348.6171    1114.3114   -6421.6171    17.024361   0.47785504 
@@ -118,7 +117,7 @@ Step Temp TotEng PotEng KinEng E_pair E_bond f_2
       60    273.01449   -5217.7381   -6316.1026    1098.3646   -6406.4709    21.800931   0.92327815 
       70    274.67549   -5221.0246   -6326.0716     1105.047   -6409.7721     19.41235 0.0016975896 
       80    273.74824   -5224.7613   -6326.0778    1101.3165   -6418.5055    19.206793   0.48550348 
-      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3466    21.124789    0.5468014 
+      90    284.32594    -5229.195   -6373.0667    1143.8717   -6461.3467    21.124789    0.5468014 
 SHAKE stats (type/ave/delta) on step 100
   4 1.111 2.06868e-06
   6 0.996999 2.09521e-06
@@ -128,24 +127,24 @@ SHAKE stats (type/ave/delta) on step 100
   14 0.959999 0
   18 0.9572 9.14098e-06
   31 104.52 0.000760401
-     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404  0.009478437 
+     100    270.40648   -5234.9604   -6322.8327    1087.8723     -6417.73    19.666404 0.0094784372 
      101    270.99811   -5235.8295    -6326.082    1090.2525   -6418.8974    17.285816  0.086681332 
-Loop time of 1.16767 on 4 procs for 101 steps with 2004 atoms
+Loop time of 0.812799 on 4 procs for 101 steps with 2004 atoms
 
-Performance: 14.947 ns/day, 1.606 hours/ns, 86.497 timesteps/s
-97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 21.472 ns/day, 1.118 hours/ns, 124.262 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.84633    | 0.86651    | 0.88617    |   1.6 | 74.21
-Bond    | 0.0010614  | 0.0027132  | 0.004288   |   3.0 |  0.23
-Kspace  | 0.095008   | 0.1162     | 0.13491    |   4.3 |  9.95
-Neigh   | 0.07834    | 0.078424   | 0.078516   |   0.0 |  6.72
-Comm    | 0.03314    | 0.033299   | 0.033426   |   0.1 |  2.85
-Output  | 0.00036979 | 0.00076199 | 0.0019338  |   0.0 |  0.07
-Modify  | 0.063471   | 0.064011   | 0.065312   |   0.3 |  5.48
-Other   |            | 0.005751   |            |       |  0.49
+Pair    | 0.57957    | 0.59988    | 0.62504    |   2.6 | 73.80
+Bond    | 0.00080013 | 0.0017412  | 0.0028315  |   2.1 |  0.21
+Kspace  | 0.075724   | 0.10008    | 0.12023    |   6.4 | 12.31
+Neigh   | 0.067733   | 0.067947   | 0.068168   |   0.1 |  8.36
+Comm    | 0.01375    | 0.014175   | 0.014681   |   0.3 |  1.74
+Output  | 0.00025511 | 0.00051183 | 0.001277   |   0.0 |  0.06
+Modify  | 0.026406   | 0.026436   | 0.026462   |   0.0 |  3.25
+Other   |            | 0.002027   |            |       |  0.25
 
 Nlocal:    501 ave 512 max 492 min
 Histogram: 1 0 0 1 0 1 0 0 0 1
@@ -159,4 +158,4 @@ Ave neighs/atom = 353.274
 Ave special neighs/atom = 2.34032
 Neighbor list builds = 8
 Dangerous builds = 0
-Total wall time: 0:00:01
+Total wall time: 0:00:00

From cd0924ca4c4653332ee009ef9d6cf798ea23d19f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 03:49:46 -0500
Subject: [PATCH 248/273] add log files for USER-AWPMD examples

---
 examples/USER/awpmd/log.27Nov18.h_atom.g++.1  | 100 ++++++++++++++++++
 examples/USER/awpmd/log.27Nov18.h_atom.g++.4  | 100 ++++++++++++++++++
 .../USER/awpmd/log.27Nov18.h_molecule.g++.1   | 100 ++++++++++++++++++
 .../USER/awpmd/log.27Nov18.h_molecule.g++.4   | 100 ++++++++++++++++++
 4 files changed, 400 insertions(+)
 create mode 100644 examples/USER/awpmd/log.27Nov18.h_atom.g++.1
 create mode 100644 examples/USER/awpmd/log.27Nov18.h_atom.g++.4
 create mode 100644 examples/USER/awpmd/log.27Nov18.h_molecule.g++.1
 create mode 100644 examples/USER/awpmd/log.27Nov18.h_molecule.g++.4

diff --git a/examples/USER/awpmd/log.27Nov18.h_atom.g++.1 b/examples/USER/awpmd/log.27Nov18.h_atom.g++.1
new file mode 100644
index 0000000000..2ee048f3c9
--- /dev/null
+++ b/examples/USER/awpmd/log.27Nov18.h_atom.g++.1
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	sname index h_atom
+
+units 		real
+newton		on
+boundary        p p p
+processors      1 * *
+
+
+atom_style	wavepacket
+
+read_data  	data.${sname}
+read_data  	data.h_atom
+  orthogonal box = (-0.529177 -0.529177 -0.529177) to (0.529177 0.529177 0.529177)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2 atoms
+
+#neighbor        2.0 nsq
+
+pair_style      awpmd/cut -1. hartree ermscale 0.99 free flex_press
+pair_coeff 	    * *
+
+
+
+timestep        0.001
+
+fix             1 all nve/awpmd
+
+comm_modify	vel yes
+
+compute         energies all pair awpmd/cut
+variable        eke equal c_energies[1]
+variable        epauli equal c_energies[2]
+variable        estatics equal c_energies[3]
+variable        errestrain equal c_energies[4]
+
+compute         peratom all stress/atom NULL
+compute         p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
+variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
+
+thermo          1
+thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press
+
+run 		10
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.52918
+  ghost atom cutoff = 2.52918
+  binsize = 1.26459, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair awpmd/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:933)
+Per MPI rank memory allocation (min/avg/max) = 5.111 | 5.111 | 5.111 Mbytes
+Step TotEng PotEng KinEng v_eke v_epauli v_estatics v_errestrain Temp Press v_press 
+       0    -266.3192    -266.3192            0    266.32732            0   -532.64652            0            0    156.59865           -0 
+       1    -266.3192    -266.3192            0    266.32746            0   -532.64666            0            0    159.30733           -0 
+       2    -266.3192    -266.3192 1.7273458e-17    266.32797            0   -532.64718            0 5.7948873e-15    169.14686 6.6606909e-13 
+       3    -266.3192    -266.3192 4.6899813e-15    266.32927            0   -532.64847            0 1.5733915e-12    194.06892 1.8084691e-10 
+       4    -266.3192    -266.3192 1.4824973e-13    266.33199            0    -532.6512            0 4.9734712e-11    246.65762 5.7165485e-09 
+       5    -266.3192    -266.3192 1.9298888e-12    266.33712            0   -532.65632            0 6.4743771e-10    345.53056 7.441702e-08 
+       6    -266.3192    -266.3192 1.5343223e-11    266.34601            0   -532.66521            0 5.1473332e-09    516.91949 5.9163869e-07 
+       7    -266.3192    -266.3192 8.8661674e-11    266.36051            0    -532.6797            0 2.9744154e-08     796.4357 3.4188175e-06 
+       8   -266.31919   -266.31919 4.0865149e-10    266.38304            0   -532.70223            0 1.3709411e-07    1231.0302 1.5757709e-05 
+       9   -266.31918   -266.31918 1.5889509e-09    266.41674            0   -532.73592            0 5.3306012e-07    1881.1652 6.1270366e-05 
+      10   -266.31916   -266.31916 5.4070747e-09    266.46554            0    -532.7847            0 1.8139615e-06    2823.2238 0.00020849822 
+Loop time of 0.000725031 on 1 procs for 10 steps with 2 atoms
+
+Performance: 1.192 ns/day, 20.140 hours/ns, 13792.516 timesteps/s
+99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00030851 | 0.00030851 | 0.00030851 |   0.0 | 42.55
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0001204  | 0.0001204  | 0.0001204  |   0.0 | 16.61
+Output  | 0.00028038 | 0.00028038 | 0.00028038 |   0.0 | 38.67
+Modify  | 6.1989e-06 | 6.1989e-06 | 6.1989e-06 |   0.0 |  0.85
+Other   |            | 9.537e-06  |            |       |  1.32
+
+Nlocal:    2 ave 2 max 2 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    248 ave 248 max 248 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    225 ave 225 max 225 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 225
+Ave neighs/atom = 112.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/awpmd/log.27Nov18.h_atom.g++.4 b/examples/USER/awpmd/log.27Nov18.h_atom.g++.4
new file mode 100644
index 0000000000..2ab2177279
--- /dev/null
+++ b/examples/USER/awpmd/log.27Nov18.h_atom.g++.4
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	sname index h_atom
+
+units 		real
+newton		on
+boundary        p p p
+processors      1 * *
+
+
+atom_style	wavepacket
+
+read_data  	data.${sname}
+read_data  	data.h_atom
+  orthogonal box = (-0.529177 -0.529177 -0.529177) to (0.529177 0.529177 0.529177)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2 atoms
+
+#neighbor        2.0 nsq
+
+pair_style      awpmd/cut -1. hartree ermscale 0.99 free flex_press
+pair_coeff 	    * *
+
+
+
+timestep        0.001
+
+fix             1 all nve/awpmd
+
+comm_modify	vel yes
+
+compute         energies all pair awpmd/cut
+variable        eke equal c_energies[1]
+variable        epauli equal c_energies[2]
+variable        estatics equal c_energies[3]
+variable        errestrain equal c_energies[4]
+
+compute         peratom all stress/atom NULL
+compute         p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
+variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
+
+thermo          1
+thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press
+
+run 		10
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.52918
+  ghost atom cutoff = 2.52918
+  binsize = 1.26459, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair awpmd/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:933)
+Per MPI rank memory allocation (min/avg/max) = 5.391 | 5.391 | 5.391 Mbytes
+Step TotEng PotEng KinEng v_eke v_epauli v_estatics v_errestrain Temp Press v_press 
+       0    -266.3192    -266.3192            0    266.32732            0   -532.64652            0            0    156.59865           -0 
+       1    -266.3192    -266.3192            0    266.32789            0   -532.64709            0            0    167.49891           -0 
+       2    -266.3192    -266.3192 1.219316e-15     266.3314            0    -532.6506            0 4.0905525e-13     235.2267 4.7017146e-11 
+       3    -266.3192    -266.3192 8.3179871e-14    266.34548            0   -532.66468            0 2.7905123e-11    506.68594 3.2074377e-09 
+       4    -266.3192    -266.3192 4.4091748e-12    266.39036            0   -532.70955            0 1.4791868e-09    1372.0565 1.7001894e-07 
+       5   -266.31916   -266.31916 9.8904198e-11    266.51357            0   -532.83273            0 3.3180309e-08    3748.6725 3.8137718e-06 
+       6   -266.31893   -266.31893 1.3132578e-09    266.81733            0   -533.13626            0 4.4057077e-07    9611.8807 5.0639565e-05 
+       7   -266.31762   -266.31762 1.2317167e-08    267.50719            0   -533.82481            0 4.1321544e-06     22950.26 0.00047495321 
+       8   -266.31123   -266.31123 9.0048883e-08    268.97689            0   -535.28812            0 3.0209534e-05    51470.197 0.0034723086 
+       9   -266.28324   -266.28324 5.4612621e-07    271.95757            0   -538.24082            0 0.00018321403    109735.25   0.02105877 
+      10   -266.17113   -266.17114 2.8729529e-06    277.79384            0   -543.96498            0 0.00096381615    225424.02   0.11078182 
+Loop time of 0.00176561 on 4 procs for 10 steps with 2 atoms
+
+Performance: 0.489 ns/day, 49.045 hours/ns, 5663.769 timesteps/s
+87.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 6.3419e-05 | 0.00012642 | 0.00030923 |   0.0 |  7.16
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00073171 | 0.00086534 | 0.001025   |   0.0 | 49.01
+Output  | 0.00063562 | 0.00075388 | 0.00094962 |   0.0 | 42.70
+Modify  | 3.8147e-06 | 4.4703e-06 | 6.1989e-06 |   0.0 |  0.25
+Other   |            | 1.55e-05   |            |       |  0.88
+
+Nlocal:    0.5 ave 2 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    249.5 ave 250 max 248 min
+Histogram: 1 0 0 0 0 0 0 0 0 3
+Neighs:    56.25 ave 225 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 225
+Ave neighs/atom = 112.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/awpmd/log.27Nov18.h_molecule.g++.1 b/examples/USER/awpmd/log.27Nov18.h_molecule.g++.1
new file mode 100644
index 0000000000..a4c201abf2
--- /dev/null
+++ b/examples/USER/awpmd/log.27Nov18.h_molecule.g++.1
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	sname index h_molecule
+
+units 		real
+newton		on
+boundary        p p p
+processors      1 * *
+
+
+atom_style	wavepacket
+
+read_data  	data.${sname}
+read_data  	data.h_molecule
+  orthogonal box = (-0.529177 -0.529177 -0.529177) to (0.529177 0.529177 0.529177)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  4 atoms
+
+#neighbor        2.0 nsq
+
+pair_style      awpmd/cut -1. hartree ermscale 0.99 free flex_press
+pair_coeff 	    * *
+
+
+
+timestep        0.001
+
+fix             1 all nve/awpmd
+
+comm_modify	vel yes
+
+compute         energies all pair awpmd/cut
+variable        eke equal c_energies[1]
+variable        epauli equal c_energies[2]
+variable        estatics equal c_energies[3]
+variable        errestrain equal c_energies[4]
+
+compute         peratom all stress/atom NULL
+compute         p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
+variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
+
+thermo          1
+thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press
+
+run 		10
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.52918
+  ghost atom cutoff = 2.52918
+  binsize = 1.26459, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair awpmd/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:933)
+Per MPI rank memory allocation (min/avg/max) = 5.142 | 5.142 | 5.142 Mbytes
+Step TotEng PotEng KinEng v_eke v_epauli v_estatics v_errestrain Temp Press v_press 
+       0    30358.159    30358.159            0     39537.73 -1.5916157e-12   -9179.5713            0            0 1.3475994e+09           -0 
+       1     30360.49    30360.489 0.0009272222    39540.081 2.0463631e-12   -9179.5926            0   0.10368794 1.3476061e+09    35.753932 
+       2    67447.779    67447.776   0.00370884     80547.07 -1.1368684e-12   -13099.294            0   0.41474633 2.8529839e+09    143.01385 
+       3    3713046.5    3713046.5 0.0041850026    3803060.3 -1.29603e-10   -90013.788            0   0.46799388 1.4486958e+11     161.3748 
+       4    2445632.1      2445620    12.171486    2452194.4 -9.777068e-11   -6574.4062            0    1361.0937 -6.5572589e+08    469335.68 
+       5    2434860.1    2434845.9    14.215419    2433638.8 -1.0663825e-10    1207.1541            0    1589.6595   -359380.29    548150.31 
+       6    2444984.1    2444969.8    14.215428      2451100 5.1841198e-11   -6130.1373            0    1589.6605 -5.6327282e+08    548150.63 
+       7    2436128.7    2436110.9    17.793789    2434903.7 2.0190782e-10     1207.154            0    1989.8158   -221406.77    686133.18 
+       8    2444786.5    2444768.7    17.793798    2450583.8 -1.1027623e-10   -5815.0651            0    1989.8169 -5.0227031e+08    686133.54 
+       9    2437198.9    2437175.9    22.942086    2435968.8 2.2600943e-10    1207.1538            0    2565.5315   -22903.736    884652.88 
+      10    2444787.1    2444764.2    22.942097    2450333.1 -3.1832315e-11   -5568.9214            0    2565.5327 -4.5741803e+08     884653.3 
+Loop time of 0.00158453 on 1 procs for 10 steps with 4 atoms
+
+Performance: 0.545 ns/day, 44.015 hours/ns, 6311.020 timesteps/s
+85.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00088882 | 0.00088882 | 0.00088882 |   0.0 | 56.09
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00031352 | 0.00031352 | 0.00031352 |   0.0 | 19.79
+Output  | 0.00036216 | 0.00036216 | 0.00036216 |   0.0 | 22.86
+Modify  | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 |   0.0 |  0.38
+Other   |            | 1.407e-05  |            |       |  0.89
+
+Nlocal:    4 ave 4 max 4 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    596 ave 596 max 596 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    966 ave 966 max 966 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 966
+Ave neighs/atom = 241.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00
diff --git a/examples/USER/awpmd/log.27Nov18.h_molecule.g++.4 b/examples/USER/awpmd/log.27Nov18.h_molecule.g++.4
new file mode 100644
index 0000000000..39531640e1
--- /dev/null
+++ b/examples/USER/awpmd/log.27Nov18.h_molecule.g++.4
@@ -0,0 +1,100 @@
+LAMMPS (27 Nov 2018)
+OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
+  using 1 OpenMP thread(s) per MPI task
+variable	sname index h_molecule
+
+units 		real
+newton		on
+boundary        p p p
+processors      1 * *
+
+
+atom_style	wavepacket
+
+read_data  	data.${sname}
+read_data  	data.h_molecule
+  orthogonal box = (-0.529177 -0.529177 -0.529177) to (0.529177 0.529177 0.529177)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  4 atoms
+
+#neighbor        2.0 nsq
+
+pair_style      awpmd/cut -1. hartree ermscale 0.99 free flex_press
+pair_coeff 	    * *
+
+
+
+timestep        0.001
+
+fix             1 all nve/awpmd
+
+comm_modify	vel yes
+
+compute         energies all pair awpmd/cut
+variable        eke equal c_energies[1]
+variable        epauli equal c_energies[2]
+variable        estatics equal c_energies[3]
+variable        errestrain equal c_energies[4]
+
+compute         peratom all stress/atom NULL
+compute         p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
+variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
+
+thermo          1
+thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press
+
+run 		10
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.52918
+  ghost atom cutoff = 2.52918
+  binsize = 1.26459, bins = 1 1 1
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair awpmd/cut, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:933)
+Per MPI rank memory allocation (min/avg/max) = 5.172 | 5.234 | 5.422 Mbytes
+Step TotEng PotEng KinEng v_eke v_epauli v_estatics v_errestrain Temp Press v_press 
+       0    30358.159    30358.159            0     39537.73 -1.5916157e-12   -9179.5713            0            0 1.3475994e+09           -0 
+       1    30360.982    30360.981 0.0009272222    39540.638 -1.1368684e-12   -9179.6571            0   0.10368794 1.3476263e+09    35.753932 
+       2    67459.392    67459.388 0.0037086548     80559.71 6.5938366e-12   -13100.322            0   0.41472561 2.8534514e+09     143.0067 
+       3    3732209.2    3732209.2 0.0041861902    3822452.2 -3.1604941e-11   -90242.984            0   0.46812669 1.4561246e+11    161.42059 
+       4    2482974.7    2482961.9    12.860712    2489531.2 -2.2896529e-10   -6569.2968            0    1438.1675 -6.5458119e+08    495912.44 
+       5    2472238.2    2472223.2    14.933049    2471015.7 -1.6120794e-10    1207.5188            0    1669.9095   -324992.65     575822.3 
+       6    2482233.1    2482218.1    14.933057    2488321.7 -2.0691004e-11   -6103.5677            0    1669.9104 -5.5786438e+08    575822.62 
+       7    2473498.5    2473479.8     18.61401    2472272.3 1.459739e-10    1207.5167            0    2081.5382   -183348.11    717761.12 
+       8    2481621.3    2481602.6    18.614019    2487299.1 7.0258466e-11   -5696.4589            0    2081.5393 -4.7962801e+08    717761.48 
+       9    2474506.2    2474482.2    24.021181    2473274.7 2.1395863e-10     1207.508            0    2686.2029    24318.554    926263.07 
+      10    2480376.3    2480352.2    24.021192      2485505 -8.5719876e-11   -5152.7478            0    2686.2041 -3.8355089e+08    926263.48 
+Loop time of 0.00267726 on 4 procs for 10 steps with 4 atoms
+
+Performance: 0.323 ns/day, 74.368 hours/ns, 3735.160 timesteps/s
+91.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.00011826 | 0.00027376 | 0.00073862 |   0.0 | 10.23
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.00080514 | 0.0011864  | 0.001574   |   0.9 | 44.31
+Output  | 0.00094914 | 0.0011944  | 0.0017326  |   0.9 | 44.61
+Modify  | 3.3379e-06 | 4.4703e-06 | 6.1989e-06 |   0.0 |  0.17
+Other   |            | 1.824e-05  |            |       |  0.68
+
+Nlocal:    1 ave 4 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+Nghost:    599 ave 600 max 596 min
+Histogram: 1 0 0 0 0 0 0 0 0 3
+Neighs:    241.5 ave 966 max 0 min
+Histogram: 3 0 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 966
+Ave neighs/atom = 241.5
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:00

From 685a8bfc627952e463876b3fdde2613825ae6243 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 04:32:46 -0500
Subject: [PATCH 249/273] update or add logs for USER-AWPMD, USER-BOCS, and
 USER-CGDNA

---
 examples/USER/awpmd/in.h_atom                 |    3 +-
 examples/USER/awpmd/in.h_molecule             |    3 +-
 ...hanol.g++.1 => log.27Nov18.methanol.g++.1} |   71 +-
 ...hanol.g++.4 => log.27Nov18.methanol.g++.4} |   81 +-
 .../duplex1/{input.duplex1 => in.duplex1}     |    2 +-
 .../oxDNA/duplex1/log.24Mar17.duplex1.g++.1   | 1161 ----------------
 .../oxDNA/duplex1/log.24Mar17.duplex1.g++.4   | 1161 ----------------
 .../oxDNA/duplex1/log.27Nov18.duplex1.g++.1   |  172 +++
 .../oxDNA/duplex1/log.27Nov18.duplex1.g++.4   |  172 +++
 .../duplex2/{input.duplex2 => in.duplex2}     |    2 +-
 .../oxDNA/duplex2/log.24Mar17.duplex2.g++.1   | 1161 ----------------
 .../oxDNA/duplex2/log.24Mar17.duplex2.g++.4   | 1161 ----------------
 .../oxDNA/duplex2/log.27Nov18.duplex2.g++.1   |  172 +++
 .../oxDNA/duplex2/log.27Nov18.duplex2.g++.4   |  172 +++
 .../duplex1/{input.duplex1 => in.duplex1}     |    2 +-
 .../oxDNA2/duplex1/log.24Mar17.duplex1.g++.1  | 1167 -----------------
 .../oxDNA2/duplex1/log.24Mar17.duplex1.g++.4  | 1167 -----------------
 .../oxDNA2/duplex1/log.27Nov18.duplex1.g++.1  |  178 +++
 .../oxDNA2/duplex1/log.27Nov18.duplex1.g++.4  |  178 +++
 .../duplex2/{input.duplex2 => in.duplex2}     |    2 +-
 .../oxDNA2/duplex2/log.24Mar17.duplex2.g++.1  | 1167 -----------------
 .../oxDNA2/duplex2/log.24Mar17.duplex2.g++.4  | 1167 -----------------
 .../oxDNA2/duplex2/log.27Nov18.duplex2.g++.1  |  178 +++
 .../oxDNA2/duplex2/log.27Nov18.duplex2.g++.4  |  178 +++
 24 files changed, 1481 insertions(+), 9397 deletions(-)
 rename examples/USER/bocs/{log.20Apr18.methanol.g++.1 => log.27Nov18.methanol.g++.1} (60%)
 rename examples/USER/bocs/{log.20Apr18.methanol.g++.4 => log.27Nov18.methanol.g++.4} (57%)
 rename examples/USER/cgdna/examples/oxDNA/duplex1/{input.duplex1 => in.duplex1} (99%)
 delete mode 100644 examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
 delete mode 100644 examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
 create mode 100644 examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.1
 create mode 100644 examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.4
 rename examples/USER/cgdna/examples/oxDNA/duplex2/{input.duplex2 => in.duplex2} (99%)
 delete mode 100644 examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
 delete mode 100644 examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
 create mode 100644 examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.1
 create mode 100644 examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.4
 rename examples/USER/cgdna/examples/oxDNA2/duplex1/{input.duplex1 => in.duplex1} (99%)
 delete mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
 delete mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
 create mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.1
 create mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.4
 rename examples/USER/cgdna/examples/oxDNA2/duplex2/{input.duplex2 => in.duplex2} (99%)
 delete mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
 delete mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
 create mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.1
 create mode 100644 examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.4

diff --git a/examples/USER/awpmd/in.h_atom b/examples/USER/awpmd/in.h_atom
index 6eb78ba4c2..60b7a07da4 100644
--- a/examples/USER/awpmd/in.h_atom
+++ b/examples/USER/awpmd/in.h_atom
@@ -1,5 +1,4 @@
 variable	sname index h_atom
-log		${sname}.spe.log
 
 units 		real
 newton		on
@@ -37,4 +36,4 @@ variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
 thermo          1
 thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press 
 
-run 		0
+run 		10
diff --git a/examples/USER/awpmd/in.h_molecule b/examples/USER/awpmd/in.h_molecule
index 78df85d185..2f02aa7038 100644
--- a/examples/USER/awpmd/in.h_molecule
+++ b/examples/USER/awpmd/in.h_molecule
@@ -1,5 +1,4 @@
 variable	sname index h_molecule
-log		${sname}.spe.log
 
 units 		real
 newton		on
@@ -37,4 +36,4 @@ variable        press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
 thermo          1
 thermo_style    custom step etotal pe ke v_eke v_epauli v_estatics v_errestrain temp press v_press 
 
-run 		0
+run 		10
diff --git a/examples/USER/bocs/log.20Apr18.methanol.g++.1 b/examples/USER/bocs/log.27Nov18.methanol.g++.1
similarity index 60%
rename from examples/USER/bocs/log.20Apr18.methanol.g++.1
rename to examples/USER/bocs/log.27Nov18.methanol.g++.1
index a94bd959c8..21bbc0c823 100644
--- a/examples/USER/bocs/log.20Apr18.methanol.g++.1
+++ b/examples/USER/bocs/log.27Nov18.methanol.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 dimension	3
@@ -21,7 +20,7 @@ pair_style	table spline 15000
 
 pair_coeff	1 1 lammps_nb_MET-MET.table nb_METMET 12.0
 WARNING: 78 of 2500 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 neigh_modify	delay 0 every 1 check yes one 10000
 neighbor	12.0 bin
@@ -90,54 +89,54 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 4.691 | 4.691 | 4.691 Mbytes
 Step Temp PotEng TotEng Press Volume 
        0          300    1061.5961    1926.3291      107.006    66250.679 
-     500    314.54728    1034.1091    1940.7738    194.42689    65660.282 
-    1000    301.41603    1030.7027    1899.5173   -91.966709    66262.543 
-    1500     298.8308    1014.8276    1876.1905   -80.178606    67053.605 
-    2000    294.78476    1046.8207     1896.521    50.592942    66316.735 
-    2500    301.18564    1033.9214    1902.0719     40.48255    66607.667 
-    3000    301.06632    1022.0381    1889.8447    47.582344    66341.947 
-    3500    297.98361    989.80983    1848.7307   -204.69879    67462.078 
-    4000    299.03493    1034.6571    1896.6083    89.188888    66457.385 
-    4500    306.03351     985.4121    1867.5363   -51.102407    67519.446 
-    5000     305.6903    1013.8613    1894.9963   -141.13704    67240.467 
-    5500    292.23444    1029.5558     1871.905    20.764579    66683.876 
-    6000    287.87735    1017.7325    1847.5226   -35.288049    66630.031 
-    6500    305.26461    960.08118    1839.9891   -352.42596    67612.317 
-    7000    300.34449    1055.0664    1920.7923     22.04027     66187.27 
-    7500    305.48612    1038.6651    1919.2115    17.807254    66324.168 
-    8000    316.03232    1034.6809    1945.6262    27.482857    66502.198 
-    8500    294.28636    1038.8213     1887.085   -72.840559    66851.661 
-    9000    316.69029    1065.7481    1978.5899    245.61677    65678.385 
-    9500    297.46127    1034.5547      1891.97     54.23428    66892.627 
-   10000    301.24799    1036.5432    1904.8735    7.7134029    66150.506 
-Loop time of 34.426 on 1 procs for 10000 steps with 968 atoms
+     500    314.70267    1036.3305    1943.4431    205.83301     65603.85 
+    1000    304.99804      1034.15    1913.2896   -79.521176     66268.87 
+    1500     305.2621     996.9303     1876.831    -97.93992    67090.442 
+    2000    311.29317    1083.9171    1981.2021    119.28085    65589.674 
+    2500    305.51905      1051.59    1932.2314   -34.076658    66487.327 
+    3000    291.76224     1053.524    1894.5121    45.522865    65879.535 
+    3500    297.65795    1017.1028     1875.085    -79.41965     67185.19 
+    4000    285.98779    1042.3622    1866.7058    88.549172    66357.051 
+    4500       295.35    1071.4505    1922.7801    -16.75965    65378.949 
+    5000    293.20958    1009.9943    1855.1543   -270.58058     67555.38 
+    5500    292.40422    1085.3901    1928.2287    161.88502    65677.644 
+    6000    318.79663    1012.4832    1931.3964   -65.692451     67458.05 
+    6500    308.03807    1046.1413    1934.0436    249.70237    66052.045 
+    7000    289.33716    1037.9657    1871.9636    47.662734    66782.578 
+    7500     297.3092     1032.356    1889.3329   -24.049617     66129.95 
+    8000    298.27827     1044.118    1903.8882    -26.61809    66720.381 
+    8500    299.52706    1026.7068    1890.0766   -128.14995    67695.559 
+    9000    304.67694    1018.2095    1896.4236   -61.360724      65942.4 
+    9500    293.81117    1019.2221    1866.1162   -47.726496    66843.848 
+   10000     309.9256    1043.5321     1936.875   -103.81403     66222.21 
+Loop time of 42.5056 on 1 procs for 10000 steps with 968 atoms
 
-Performance: 25.097 ns/day, 0.956 hours/ns, 290.478 timesteps/s
+Performance: 20.327 ns/day, 1.181 hours/ns, 235.263 timesteps/s
 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 33.324     | 33.324     | 33.324     |   0.0 | 96.80
-Neigh   | 0.12198    | 0.12198    | 0.12198    |   0.0 |  0.35
-Comm    | 0.42865    | 0.42865    | 0.42865    |   0.0 |  1.25
-Output  | 0.00059938 | 0.00059938 | 0.00059938 |   0.0 |  0.00
-Modify  | 0.42553    | 0.42553    | 0.42553    |   0.0 |  1.24
-Other   |            | 0.1252     |            |       |  0.36
+Pair    | 40.972     | 40.972     | 40.972     |   0.0 | 96.39
+Neigh   | 0.18576    | 0.18576    | 0.18576    |   0.0 |  0.44
+Comm    | 0.71338    | 0.71338    | 0.71338    |   0.0 |  1.68
+Output  | 0.00050306 | 0.00050306 | 0.00050306 |   0.0 |  0.00
+Modify  | 0.52926    | 0.52926    | 0.52926    |   0.0 |  1.25
+Other   |            | 0.1042     |            |       |  0.25
 
 Nlocal:    968 ave 968 max 968 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    9112 ave 9112 max 9112 min
+Nghost:    9215 ave 9215 max 9215 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    404392 ave 404392 max 404392 min
+Neighs:    411837 ave 411837 max 411837 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 404392
-Ave neighs/atom = 417.76
+Total # of neighbors = 411837
+Ave neighs/atom = 425.451
 Neighbor list builds = 13
 Dangerous builds = 0
 
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:34
+Total wall time: 0:00:42
diff --git a/examples/USER/bocs/log.20Apr18.methanol.g++.4 b/examples/USER/bocs/log.27Nov18.methanol.g++.4
similarity index 57%
rename from examples/USER/bocs/log.20Apr18.methanol.g++.4
rename to examples/USER/bocs/log.27Nov18.methanol.g++.4
index cf5891f97c..7dcf61d32c 100644
--- a/examples/USER/bocs/log.20Apr18.methanol.g++.4
+++ b/examples/USER/bocs/log.27Nov18.methanol.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Apr 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 units		real
 dimension	3
@@ -21,7 +20,7 @@ pair_style	table spline 15000
 
 pair_coeff	1 1 lammps_nb_MET-MET.table nb_METMET 12.0
 WARNING: 78 of 2500 force values in table are inconsistent with -dE/dr.
-  Should only be flagged at inflection points (../pair_table.cpp:481)
+  Should only be flagged at inflection points (src/pair_table.cpp:481)
 
 neigh_modify	delay 0 every 1 check yes one 10000
 neighbor	12.0 bin
@@ -90,54 +89,54 @@ Neighbor list info ...
 Per MPI rank memory allocation (min/avg/max) = 3.37 | 3.37 | 3.371 Mbytes
 Step Temp PotEng TotEng Press Volume 
        0          300    1061.5961    1926.3291      107.006    66250.679 
-     500    314.54728    1034.1091    1940.7738    194.42689    65660.282 
-    1000    301.41603    1030.7027    1899.5173   -91.966709    66262.543 
-    1500     298.8308    1014.8276    1876.1905   -80.178606    67053.605 
-    2000    294.78476    1046.8207     1896.521    50.592942    66316.735 
-    2500    301.18564    1033.9214    1902.0719    40.482557    66607.667 
-    3000    301.06631    1022.0381    1889.8447    47.582403    66341.947 
-    3500    297.98353    989.81011    1848.7308   -204.69823    67462.076 
-    4000    299.03465    1034.6603    1896.6108    89.196235    66457.338 
-    4500    306.04532    985.37017    1867.5285   -51.094929    67519.735 
-    5000    304.72903    1014.9543    1893.3184   -127.04402    67238.517 
-    5500    292.52622    1025.6599    1868.8502   -19.753932    66716.551 
-    6000    296.82719    1031.5184    1887.1059   -1.2609328    66368.611 
-    6500    298.63312    1018.4299    1879.2229    -24.75835    66524.898 
-    7000    303.25389    1005.9283    1880.0404   -96.273504    67349.674 
-    7500    292.45089    1068.2863    1911.2595    103.23295     65778.08 
-    8000    301.22765    1040.6294    1908.9011  -0.83635353    66831.038 
-    8500    300.19765    1047.5856    1912.8883   -31.582343    66316.305 
-    9000     295.1108    1023.8234    1874.4635   -88.165532    67192.344 
-    9500     302.1087    1003.6348    1874.4459   -18.707065    66369.361 
-   10000     296.3083     1004.126    1858.2178   -28.293045    66862.576 
-Loop time of 28.8053 on 4 procs for 10000 steps with 968 atoms
+     500    314.70267    1036.3305    1943.4431    205.83301     65603.85 
+    1000    304.99804      1034.15    1913.2896   -79.521176     66268.87 
+    1500     305.2621     996.9303     1876.831    -97.93992    67090.442 
+    2000    311.29317    1083.9171    1981.2021    119.28085    65589.674 
+    2500    305.51905      1051.59    1932.2314   -34.076657    66487.327 
+    3000    291.76224     1053.524    1894.5121    45.522919    65879.535 
+    3500    297.65792    1017.1041    1875.0862   -79.411904    67185.183 
+    4000    285.99141     1042.379     1866.733    88.735986    66356.756 
+    4500    295.34218    1071.2977    1922.6048   -17.479073    65381.597 
+    5000       292.47    1012.3769     1855.405   -255.07433    67527.215 
+    5500    294.04431    1080.4547    1928.0208     192.6588    65811.742 
+    6000    300.45893    986.16669    1852.2225    -167.3405    67858.175 
+    6500    305.59738    1022.5276    1903.3947   -116.41298    66612.704 
+    7000    312.11968    1032.7392    1932.4065    152.17956    66016.299 
+    7500    306.80585    1032.1157    1916.4662     51.07705    66875.727 
+    8000    292.30957    1048.9003    1891.4661    61.280503    65894.103 
+    8500    297.79592    1013.4061     1871.786   -133.01136    66842.574 
+    9000    290.36753    1043.7732    1880.7412    65.208248     66010.86 
+    9500    288.92211    1077.8835    1910.6851    46.291982    65674.639 
+   10000    311.51608    1015.3567    1913.2842   -146.49492    66882.692 
+Loop time of 13.9823 on 4 procs for 10000 steps with 968 atoms
 
-Performance: 29.994 ns/day, 0.800 hours/ns, 347.159 timesteps/s
-95.2% CPU use with 4 MPI tasks x 1 OpenMP threads
+Performance: 61.792 ns/day, 0.388 hours/ns, 715.190 timesteps/s
+98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 19.929     | 21.765     | 23.391     |  27.8 | 75.56
-Neigh   | 0.067397   | 0.071231   | 0.077313   |   1.5 |  0.25
-Comm    | 3.9226     | 5.5183     | 7.3214     |  53.7 | 19.16
-Output  | 0.00069928 | 0.0016099  | 0.0043275  |   3.9 |  0.01
-Modify  | 1.0874     | 1.1376     | 1.1888     |   4.2 |  3.95
-Other   |            | 0.3112     |            |       |  1.08
+Pair    | 10.131     | 11.235     | 12.333     |  23.2 | 80.35
+Neigh   | 0.044854   | 0.046303   | 0.047541   |   0.5 |  0.33
+Comm    | 1.1939     | 2.2964     | 3.4087     |  51.7 | 16.42
+Output  | 0.0004735  | 0.0032033  | 0.01137    |   8.3 |  0.02
+Modify  | 0.30542    | 0.31846    | 0.32508    |   1.4 |  2.28
+Other   |            | 0.08323    |            |       |  0.60
 
-Nlocal:    242 ave 244 max 239 min
+Nlocal:    242 ave 248 max 232 min
 Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    5718.5 ave 5736 max 5702 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Neighs:    100703 ave 108064 max 93454 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    5845.75 ave 5877 max 5808 min
+Histogram: 1 0 0 0 1 0 0 1 0 1
+Neighs:    104313 ave 113860 max 95507 min
+Histogram: 1 1 0 0 0 0 0 1 0 1
 
-Total # of neighbors = 402813
-Ave neighs/atom = 416.129
-Neighbor list builds = 14
+Total # of neighbors = 417252
+Ave neighs/atom = 431.045
+Neighbor list builds = 13
 Dangerous builds = 0
 
 
 Please see the log.cite file for references relevant to this simulation
 
-Total wall time: 0:00:28
+Total wall time: 0:00:14
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1 b/examples/USER/cgdna/examples/oxDNA/duplex1/in.duplex1
similarity index 99%
rename from examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1
rename to examples/USER/cgdna/examples/oxDNA/duplex1/in.duplex1
index af0f965336..6485312731 100644
--- a/examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1
+++ b/examples/USER/cgdna/examples/oxDNA/duplex1/in.duplex1
@@ -72,6 +72,6 @@ fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${e
 #dump_modify out sort id
 #dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
 
-run 1000000
+run 10000
 
 #write_restart config.${number}.*
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1 b/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
deleted file mode 100644
index 3afed6b6ce..0000000000
--- a/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
+++ /dev/null
@@ -1,1161 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 1
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex1
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  10 atoms
-  reading velocities ...
-  10 velocities
-  10 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  8 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  2 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-set atom * mass 3.1575
-  10 settings made for mass
-
-group all type 1 4
-10 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna/fene
-bond_coeff * 2.0 0.25 0.7525
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
-pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
-
-# NVE ensemble
-fix 1 all nve/dot
-#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.92828
-  ghost atom cutoff = 1.92828
-  binsize = 0.964142, bins = 42 42 42
-  5 neighbor lists, perpetual/occasional/extra = 5 0 0
-  (1) pair oxdna/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 2.859 | 2.859 | 2.859 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.4711818 0.0069384985   -1.4642433 -6.2745089e-05 
-1000  ekin = 0.00113448721737003 |  erot = 0.00413455947734281 | epot = -14.6477022915193 | etot = -14.6424332448246
-2000  ekin = 0.00449927223902336 |  erot = 0.0164446434455805 | epot = -14.6633771605337 | etot = -14.6424332448491
-3000  ekin = 0.00997964450841065 |  erot = 0.0366523356056461 | epot = -14.6890652250033 | etot = -14.6424332448892
-4000  ekin = 0.0173888111295073 |  erot = 0.0643039804300224 | epot = -14.7241260365031 | etot = -14.6424332449436
-5000  ekin = 0.0264744514136619 |  erot = 0.0987844033142069 | epot = -14.7676920997383 | etot = -14.6424332450104
-6000  ekin = 0.0369277948556079 |  erot = 0.139336571052566 | epot = -14.8186976109956 | etot = -14.6424332450875
-7000  ekin = 0.04839505571915 |  erot = 0.185086295692081 | epot = -14.8759145965832 | etot = -14.642433245172
-8000  ekin = 0.0604909336920643 |  erot = 0.235071307523532 | epot = -14.9379954864767 | etot = -14.6424332452611
-9000  ekin = 0.0728137406440561 |  erot = 0.288273694501538 | epot = -15.003520680497 | etot = -14.6424332453514
-10000  ekin = 0.0849615563085878 |  erot = 0.343654369293473 | epot = -15.0710491710418 | etot = -14.6424332454398
-11000  ekin = 0.0965486715045649 |  erot = 0.400187932108223 | epot = -15.1391698491357 | etot = -14.6424332455229
-12000  ekin = 0.10722146628289 |  erot = 0.456896095459165 | epot = -15.20655080734 | etot = -14.642433245598
-13000  ekin = 0.116672809719548 |  erot = 0.512877765427643 | epot = -15.2719838208099 | etot = -14.6424332456627
-14000  ekin = 0.12465407373104 |  erot = 0.567333962045116 | epot = -15.3344212814913 | etot = -14.6424332457151
-15000  ekin = 0.13098393968427 |  erot = 0.619586028256667 | epot = -15.3930032136954 | etot = -14.6424332457544
-16000  ekin = 0.135553354544872 |  erot = 0.669086028489761 | epot = -15.447072628815 | etot = -14.6424332457804
-17000  ekin = 0.138326263958247 |  erot = 0.715418858085449 | epot = -15.4961783678372 | etot = -14.6424332457935
-18000  ekin = 0.139336096664052 |  erot = 0.758296324627745 | epot = -15.5400656670872 | etot = -14.6424332457954
-19000  ekin = 0.138678360045177 |  erot = 0.797544234275864 | epot = -15.5786558401088 | etot = -14.6424332457878
-20000  ekin = 0.136500074655373 |  erot = 0.83308420441103 | epot = -15.6120175248394 | etot = -14.642433245773
-21000  ekin = 0.132987065285671 |  erot = 0.864912408452581 | epot = -15.6403327194916 | etot = -14.6424332457533
-22000  ekin = 0.128350288213556 |  erot = 0.893077649557994 | epot = -15.6638611835027 | etot = -14.6424332457311
-23000  ekin = 0.122812385135508 |  erot = 0.917661024683964 | epot = -15.6829066555277 | etot = -14.6424332457083
-24000  ekin = 0.116595521408284 |  erot = 0.938759014332096 | epot = -15.6977877814267 | etot = -14.6424332456863
-25000  ekin = 0.109911323474816 |  erot = 0.956471207347236 | epot = -15.7088157764882 | etot = -14.6424332456662
-26000  ekin = 0.102953426207644 |  erot = 0.970893163953198 | epot = -15.7162798358091 | etot = -14.6424332456483
-27000  ekin = 0.0958928250746637 |  erot = 0.982114250194049 | epot = -15.7204403209013 | etot = -14.6424332456326
-28000  ekin = 0.0888759410950343 |  erot = 0.990219731539835 | epot = -15.7215289182535 | etot = -14.6424332456186
-29000  ekin = 0.0820250748773376 |  erot = 0.995296041202909 | epot = -15.719754361686 | etot = -14.6424332456058
-30000  ekin = 0.0754407616839748 |  erot = 0.997437949320991 | epot = -15.7153119565981 | etot = -14.6424332455932
-31000  ekin = 0.0692054432610605 |  erot = 0.996756332762285 | epot = -15.7083950216035 | etot = -14.6424332455802
-32000  ekin = 0.0633878377978472 |  erot = 0.993385345349211 | epot = -15.699206428713 | etot = -14.6424332455659
-33000  ekin = 0.0580474070871663 |  erot = 0.987487973309961 | epot = -15.6879686259471 | etot = -14.64243324555
-34000  ekin = 0.0532383791888181 |  erot = 0.979259192921736 | epot = -15.6749308176426 | etot = -14.642433245532
-35000  ekin = 0.0490128758307997 |  erot = 0.968926197407215 | epot = -15.66037231875 | etot = -14.642433245512
-36000  ekin = 0.0454228081410747 |  erot = 0.95674540962595 | epot = -15.6446014632576 | etot = -14.6424332454906
-37000  ekin = 0.0425203357176436 |  erot = 0.942996238000708 | epot = -15.6279498191869 | etot = -14.6424332454685
-38000  ekin = 0.0403568280949567 |  erot = 0.92797176661665 | epot = -15.6107618401582 | etot = -14.6424332454466
-39000  ekin = 0.0389804214212708 |  erot = 0.911966804110001 | epot = -15.5933804709572 | etot = -14.642433245426
-40000  ekin = 0.0384324238856422 |  erot = 0.8952639595629 | epot = -15.5761296288567 | etot = -14.6424332454081
-41000  ekin = 0.0387429860408521 |  erot = 0.878118672838247 | epot = -15.5592949042733 | etot = -14.6424332453942
-42000  ekin = 0.0399266053637504 |  erot = 0.860744395135471 | epot = -15.5431042458848 | etot = -14.6424332453856
-43000  ekin = 0.0419781561011205 |  erot = 0.843299365355946 | epot = -15.52771076684 | etot = -14.6424332453829
-44000  ekin = 0.0448701894086706 |  erot = 0.825876603312506 | epot = -15.5131800381079 | etot = -14.6424332453867
-45000  ekin = 0.0485521857411509 |  erot = 0.808498758184836 | epot = -15.4994841893228 | etot = -14.6424332453969
-46000  ekin = 0.0529522094031963 |  erot = 0.791119212186772 | epot = -15.4865046670025 | etot = -14.6424332454125
-47000  ekin = 0.0579809824236739 |  erot = 0.773630265882115 | epot = -15.4740444937379 | etot = -14.6424332454321
-48000  ekin = 0.063537784649307 |  erot = 0.755878310836066 | epot = -15.4618493409392 | etot = -14.6424332454538
-49000  ekin = 0.0695169124457283 |  erot = 0.737684732482629 | epot = -15.4496348904038 | etot = -14.6424332454754
-50000  ekin = 0.0758129058454745 |  erot = 0.718870126218063 | epot = -15.4371162775588 | etot = -14.6424332454952
-51000  ekin = 0.082322663864191 |  erot = 0.69927859951883 | epot = -15.4240345088949 | etot = -14.6424332455119
-52000  ekin = 0.0889431481334984 |  erot = 0.67879880709845 | epot = -15.4101752007568 | etot = -14.6424332455248
-53000  ekin = 0.0955646689255781 |  erot = 0.657379086769954 | epot = -15.3953770012299 | etot = -14.6424332455344
-54000  ekin = 0.102061477509349 |  erot = 0.635035489168609 | epot = -15.3795302122192 | etot = -14.6424332455412
-55000  ekin = 0.108282960174 |  erot = 0.611853171347129 | epot = -15.3625693770671 | etot = -14.6424332455459
-56000  ekin = 0.114049426281782 |  erot = 0.58798294592476 | epot = -15.3444656177551 | etot = -14.6424332455485
-57000  ekin = 0.119155806186856 |  erot = 0.563635255923989 | epot = -15.3252243076595 | etot = -14.6424332455486
-58000  ekin = 0.123384552305436 |  erot = 0.539073355224011 | epot = -15.3048911530747 | etot = -14.6424332455453
-59000  ekin = 0.126526300954942 |  erot = 0.514606324860975 | epot = -15.2835658713528 | etot = -14.6424332455369
-60000  ekin = 0.128404399836505 |  erot = 0.490581338842491 | epot = -15.2614189842015 | etot = -14.6424332455225
-61000  ekin = 0.128898142362338 |  erot = 0.46737389240369 | epot = -15.2387052802676 | etot = -14.6424332455016
-62000  ekin = 0.127959880290304 |  erot = 0.445374820089083 | epot = -15.2157679458544 | etot = -14.642433245475
-63000  ekin = 0.125622870624957 |  erot = 0.424973765390021 | epot = -15.1930298814589 | etot = -14.6424332454439
-64000  ekin = 0.121999044843205 |  erot = 0.406539918574829 | epot = -15.1709722088285 | etot = -14.6424332454105
-65000  ekin = 0.117268056619305 |  erot = 0.390401831022814 | epot = -15.1501031330194 | etot = -14.6424332453773
-66000  ekin = 0.111660385257246 |  erot = 0.376828594080988 | epot = -15.1309222246848 | etot = -14.6424332453465
-67000  ekin = 0.105437746905138 |  erot = 0.366014539812675 | epot = -15.1138855320384 | etot = -14.6424332453205
-68000  ekin = 0.0988737375607886 |  erot = 0.3580690141562 | epot = -15.0993759970177 | etot = -14.6424332453007
-69000  ekin = 0.0922368286502271 |  erot = 0.353011948772473 | epot = -15.0876820227105 | etot = -14.6424332452878
-70000  ekin = 0.085776901527448 |  erot = 0.350775174164851 | epot = -15.0789853209745 | etot = -14.6424332452822
-71000  ekin = 0.0797156921642142 |  erot = 0.351208844244805 | epot = -15.0733577816926 | etot = -14.6424332452835
-72000  ekin = 0.0742409440406418 |  erot = 0.354092037745935 | epot = -15.0707662270776 | etot = -14.6424332452911
-73000  ekin = 0.0695037498701448 |  erot = 0.359146526959505 | epot = -15.0710835221334 | etot = -14.6424332453038
-74000  ekin = 0.0656184497423043 |  erot = 0.366052769876549 | epot = -15.0741044649392 | etot = -14.6424332453204
-75000  ekin = 0.0626644690389266 |  erot = 0.374467290031506 | epot = -15.07956500441 | etot = -14.6424332453396
-76000  ekin = 0.0606895535086054 |  erot = 0.384040683400738 | epot = -15.0871634822693 | etot = -14.64243324536
-77000  ekin = 0.0597139401235012 |  erot = 0.394435495890075 | epot = -15.0965826813934 | etot = -14.6424332453798
-78000  ekin = 0.059735062986913 |  erot = 0.405343151479082 | epot = -15.1075114598642 | etot = -14.6424332453982
-79000  ekin = 0.0607324264355555 |  erot = 0.416499017639937 | epot = -15.1196646894892 | etot = -14.6424332454137
-80000  ekin = 0.06267229049498 |  erot = 0.427694630236126 | epot = -15.1328001661568 | etot = -14.6424332454257
-81000  ekin = 0.0655118235328765 |  erot = 0.438786127846728 | epot = -15.1467311968131 | etot = -14.6424332454335
-82000  ekin = 0.0692024020835893 |  erot = 0.449698113828473 | epot = -15.1613337613493 | etot = -14.6424332454372
-83000  ekin = 0.0736917936906618 |  erot = 0.460422490738957 | epot = -15.1765475298665 | etot = -14.6424332454369
-84000  ekin = 0.0789250526546722 |  erot = 0.471012272293582 | epot = -15.1923705703818 | etot = -14.6424332454336
-85000  ekin = 0.0848440878750035 |  erot = 0.481570908649162 | epot = -15.2088482419522 | etot = -14.642433245428
-86000  ekin = 0.0913860133254624 |  erot = 0.492238169205216 | epot = -15.2260574279521 | etot = -14.6424332454214
-87000  ekin = 0.0984805441200046 |  erot = 0.503174014616525 | epot = -15.2440878041518 | etot = -14.6424332454153
-88000  ekin = 0.106046830304297 |  erot = 0.514542076496056 | epot = -15.263022152211 | etot = -14.6424332454106
-89000  ekin = 0.113990204127984 |  erot = 0.526494309539207 | epot = -15.2829177590758 | etot = -14.6424332454087
-90000  ekin = 0.122199339151894 |  erot = 0.539158097285698 | epot = -15.3037906818477 | etot = -14.6424332454101
-91000  ekin = 0.130544275971403 |  erot = 0.552626637865723 | epot = -15.3256041592524 | etot = -14.6424332454152
-92000  ekin = 0.138875666148815 |  erot = 0.566952900962156 | epot = -15.3482618125355 | etot = -14.6424332454245
-93000  ekin = 0.147025440614642 |  erot = 0.582146933737432 | epot = -15.3716056197897 | etot = -14.6424332454376
-94000  ekin = 0.154808946847822 |  erot = 0.598175891801207 | epot = -15.3954180841032 | etot = -14.6424332454542
-95000  ekin = 0.162028449602152 |  erot = 0.614965942453837 | epot = -15.4194276375299 | etot = -14.6424332454739
-96000  ekin = 0.168477779667818 |  erot = 0.632405154082029 | epot = -15.4433161792459 | etot = -14.642433245496
-97000  ekin = 0.17394786302672 |  erot = 0.650346631628325 | epot = -15.4667277401752 | etot = -14.6424332455201
-98000  ekin = 0.178232875004242 |  erot = 0.668611435745948 | epot = -15.4892775562957 | etot = -14.6424332455455
-99000  ekin = 0.181136831926353 |  erot = 0.686991165056211 | epot = -15.5105612425543 | etot = -14.6424332455718
-100000  ekin = 0.182480533643598 |  erot = 0.705250413407778 | epot = -15.5301641926495 | etot = -14.6424332455981
-101000  ekin = 0.182108871451935 |  erot = 0.723129571003179 | epot = -15.547671688079 | etot = -14.6424332456239
-102000  ekin = 0.179898581170268 |  erot = 0.740348571090314 | epot = -15.5626803979088 | etot = -14.6424332456482
-103000  ekin = 0.175766517608084 |  erot = 0.756612167825837 | epot = -15.5748119311039 | etot = -14.64243324567
-104000  ekin = 0.169678431535445 |  erot = 0.771617166851602 | epot = -15.5837288440751 | etot = -14.6424332456881
-105000  ekin = 0.161658036036865 |  erot = 0.785061742962005 | epot = -15.5891530247 | etot = -14.6424332457012
-106000  ekin = 0.151795867650478 |  erot = 0.796656613424597 | epot = -15.5908857267829 | etot = -14.6424332457078
-107000  ekin = 0.140257112952727 |  erot = 0.806137449197231 | epot = -15.5888278078568 | etot = -14.6424332457068
-108000  ekin = 0.127287240201241 |  erot = 0.813277564481104 | epot = -15.5829980503796 | etot = -14.6424332456973
-109000  ekin = 0.113214025490917 |  erot = 0.817899691734432 | epot = -15.573546962904 | etot = -14.6424332456787
-110000  ekin = 0.0984444823805213 |  erot = 0.819885578053921 | epot = -15.5607633060856 | etot = -14.6424332456512
-111000  ekin = 0.0834553769364569 |  erot = 0.819182262545785 | epot = -15.545070885098 | etot = -14.6424332456157
-112000  ekin = 0.0687764915871027 |  erot = 0.815804215094415 | epot = -15.5270139522555 | etot = -14.642433245574
-113000  ekin = 0.0549665904028903 |  erot = 0.809830999844441 | epot = -15.5072308357759 | etot = -14.6424332455285
-114000  ekin = 0.0425830583120619 |  erot = 0.801400700350953 | epot = -15.4864170041452 | etot = -14.6424332454821
-115000  ekin = 0.032147280213263 |  erot = 0.790699910049051 | epot = -15.4652804357003 | etot = -14.642433245438
-116000  ekin = 0.024108778034577 |  erot = 0.777951546674724 | epot = -15.4444935701085 | etot = -14.6424332453992
-117000  ekin = 0.0188117102728931 |  erot = 0.763402004774069 | epot = -15.4246469604154 | etot = -14.6424332453684
-118000  ekin = 0.0164673894159043 |  erot = 0.747309167856945 | epot = -15.4062098026203 | etot = -14.6424332453474
-119000  ekin = 0.0171359296532898 |  erot = 0.729932564575393 | epot = -15.3895017395657 | etot = -14.642433245337
-120000  ekin = 0.0207190822430497 |  erot = 0.711526526250247 | epot = -15.3746788538305 | etot = -14.6424332453372
-121000  ekin = 0.0269649552319816 |  erot = 0.692336677373422 | epot = -15.3617348779522 | etot = -14.6424332453468
-122000  ekin = 0.0354839220297736 |  erot = 0.672599570214091 | epot = -15.3505167376079 | etot = -14.642433245364
-123000  ekin = 0.0457738626451366 |  erot = 0.652544850165416 | epot = -15.3407519581971 | etot = -14.6424332453865
-124000  ekin = 0.0572521324296466 |  erot = 0.632399068066114 | epot = -15.3320844459074 | etot = -14.6424332454117
-125000  ekin = 0.0692913736002564 |  erot = 0.612390156186006 | epot = -15.324114775223 | etot = -14.6424332454368
-126000  ekin = 0.0812564128172846 |  erot = 0.592751635109578 | epot = -15.3164412933862 | etot = -14.6424332454593
-127000  ekin = 0.0925398817823717 |  erot = 0.573725774407888 | epot = -15.3086989016675 | etot = -14.6424332454772
-128000  ekin = 0.102594692018529 |  erot = 0.55556513894369 | epot = -15.3005930764509 | etot = -14.6424332454887
-129000  ekin = 0.110961953873462 |  erot = 0.538532171478003 | epot = -15.291927370844 | etot = -14.6424332454925
-130000  ekin = 0.117293279472125 |  erot = 0.52289666445339 | epot = -15.2826231894136 | etot = -14.642433245488
-131000  ekin = 0.121366644774014 |  erot = 0.508931150171021 | epot = -15.2727310404203 | etot = -14.6424332454752
-132000  ekin = 0.123095155538848 |  erot = 0.49690439090507 | epot = -15.2624327918984 | etot = -14.6424332454545
-133000  ekin = 0.122528239670491 |  erot = 0.487073282996463 | epot = -15.2520347680938 | etot = -14.6424332454268
-134000  ekin = 0.119845042600695 |  erot = 0.47967360116923 | epot = -15.2419518891638 | etot = -14.6424332453939
-135000  ekin = 0.115340171966309 |  erot = 0.474910093714588 | epot = -15.2326835110385 | etot = -14.6424332453576
-136000  ekin = 0.10940241928465 |  erot = 0.472946484072521 | epot = -15.2247821486777 | etot = -14.6424332453205
-137000  ekin = 0.102487634021818 |  erot = 0.473895929917005 | epot = -15.2188168092237 | etot = -14.6424332452849
-138000  ekin = 0.0950874634047233 |  erot = 0.477812435582745 | epot = -15.2153331442409 | etot = -14.6424332452534
-139000  ekin = 0.0876961121512815 |  erot = 0.484683617748011 | epot = -15.2148129751279 | etot = -14.6424332452286
-140000  ekin = 0.0807775418431626 |  erot = 0.494425108537478 | epot = -15.2176358955931 | etot = -14.6424332452125
-141000  ekin = 0.0747355681577817 |  erot = 0.50687677080795 | epot = -15.2240455841725 | etot = -14.6424332452068
-142000  ekin = 0.0698891098450116 |  erot = 0.521800821238808 | epot = -15.2341231762965 | etot = -14.6424332452127
-143000  ekin = 0.0664544171866063 |  erot = 0.538881922424094 | epot = -15.2477695848413 | etot = -14.6424332452306
-144000  ekin = 0.0645355104692083 |  erot = 0.557729316020225 | epot = -15.2646980717496 | etot = -14.6424332452602
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-574000  ekin = 0.165021239079052 |  erot = 0.827918058207678 | epot = -15.6353725427317 | etot = -14.6424332454449
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-744000  ekin = 0.225100508722262 |  erot = 0.557126762307569 | epot = -15.4246605168834 | etot = -14.6424332458535
-745000  ekin = 0.233469424486088 |  erot = 0.559003260237168 | epot = -15.4349059305748 | etot = -14.6424332458516
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-750000  ekin = 0.215574369391573 |  erot = 0.540486233484455 | epot = -15.3984938482957 | etot = -14.6424332454197
-751000  ekin = 0.205824583426189 |  erot = 0.534535356763915 | epot = -15.382793185509 | etot = -14.6424332453189
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-753000  ekin = 0.18786647578713 |  erot = 0.524881252730246 | epot = -15.3551809736993 | etot = -14.6424332451819
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-757000  ekin = 0.17369319027005 |  erot = 0.518265706176924 | epot = -15.3343921417126 | etot = -14.6424332452657
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-849000  ekin = 0.253039966843155 |  erot = 0.224511555531671 | epot = -15.1199847675026 | etot = -14.6424332451278
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-862000  ekin = 0.25575879717988 |  erot = 0.504799761302853 | epot = -15.4029918039674 | etot = -14.6424332454846
-863000  ekin = 0.248003564343274 |  erot = 0.51792153281644 | epot = -15.4083583425854 | etot = -14.6424332454256
-864000  ekin = 0.239677655585274 |  erot = 0.530065823507129 | epot = -15.4121767244547 | etot = -14.6424332453623
-865000  ekin = 0.231320889444316 |  erot = 0.541610953537655 | epot = -15.4153650882814 | etot = -14.6424332452994
-866000  ekin = 0.223481813673762 |  erot = 0.552927233334676 | epot = -15.4188422922498 | etot = -14.6424332452414
-867000  ekin = 0.216679174488042 |  erot = 0.564346499434233 | epot = -15.4234589191143 | etot = -14.642433245192
-868000  ekin = 0.211369750013041 |  erot = 0.576136138939756 | epot = -15.4299391341068 | etot = -14.642433245154
-869000  ekin = 0.207923502302012 |  erot = 0.588478941151288 | epot = -15.4388356885826 | etot = -14.6424332451293
-870000  ekin = 0.206606152993218 |  erot = 0.601459626889061 | epot = -15.4504990250012 | etot = -14.6424332451189
-871000  ekin = 0.207568796750693 |  erot = 0.615058451103092 | epot = -15.4650604929769 | etot = -14.6424332451232
-872000  ekin = 0.210843969893697 |  erot = 0.629151875755849 | epot = -15.4824290907908 | etot = -14.6424332451412
-873000  ekin = 0.216347593110921 |  erot = 0.643519970828816 | epot = -15.5023008091116 | etot = -14.6424332451719
-874000  ekin = 0.223886305135079 |  erot = 0.657859909724887 | epot = -15.5241794600731 | etot = -14.6424332452131
-875000  ekin = 0.233169807545165 |  erot = 0.671804662204345 | epot = -15.5474077150121 | etot = -14.6424332452626
-876000  ekin = 0.243827877956283 |  erot = 0.684945735792735 | epot = -15.5712068590662 | etot = -14.6424332453172
-877000  ekin = 0.255431632539533 |  erot = 0.69685856734687 | epot = -15.59472344526 | etot = -14.6424332453736
-878000  ekin = 0.267518408507977 |  erot = 0.707128927380794 | epot = -15.6170805813173 | etot = -14.6424332454285
-879000  ekin = 0.279619300255103 |  erot = 0.715378495713086 | epot = -15.6374310414467 | etot = -14.6424332454785
-880000  ekin = 0.291287955018077 |  erot = 0.721287639191124 | epot = -15.6550088397298 | etot = -14.6424332455206
-881000  ekin = 0.302128778463813 |  erot = 0.724613422802814 | epot = -15.6691754468188 | etot = -14.6424332455522
-882000  ekin = 0.311822304069663 |  erot = 0.725201068169202 | epot = -15.6794566178107 | etot = -14.6424332455718
-883000  ekin = 0.320145243790182 |  erot = 0.722987481096826 | epot = -15.6855659704656 | etot = -14.6424332455786
-884000  ekin = 0.326982762202934 |  erot = 0.717996120152177 | epot = -15.6874121279285 | etot = -14.6424332455734
-885000  ekin = 0.332330882217903 |  erot = 0.710323349665429 | epot = -15.6850874774411 | etot = -14.6424332455577
-886000  ekin = 0.3362876733376 |  erot = 0.700117442969925 | epot = -15.6788383618422 | etot = -14.6424332455347
-887000  ekin = 0.339032964159152 |  erot = 0.687552454430956 | epot = -15.669018664098 | etot = -14.6424332455079
-888000  ekin = 0.340797654552513 |  erot = 0.672800100939676 | epot = -15.6560310009738 | etot = -14.6424332454816
-889000  ekin = 0.34182510616745 |  erot = 0.656003407096659 | epot = -15.6402617587242 | etot = -14.6424332454601
-890000  ekin = 0.342328347583626 |  erot = 0.637256013160498 | epot = -15.6220176061908 | etot = -14.6424332454466
-891000  ekin = 0.342447730500156 |  erot = 0.616590618565209 | epot = -15.6014715945095 | etot = -14.6424332454441
-892000  ekin = 0.342214057419173 |  erot = 0.593979026501716 | epot = -15.5786263293744 | etot = -14.6424332454535
-893000  ekin = 0.341522004916655 |  erot = 0.569344767729282 | epot = -15.5533000181202 | etot = -14.6424332454743
-894000  ekin = 0.340117934122973 |  erot = 0.542587519912699 | epot = -15.5251386995399 | etot = -14.6424332455043
-895000  ekin = 0.337605044786591 |  erot = 0.513616778977829 | epot = -15.4936550693041 | etot = -14.6424332455397
-896000  ekin = 0.333467462875004 |  erot = 0.482390775172149 | epot = -15.4582914836226 | etot = -14.6424332455754
-897000  ekin = 0.327113397523287 |  erot = 0.448955709001752 | epot = -15.4185023521305 | etot = -14.6424332456055
-898000  ekin = 0.317936017621248 |  erot = 0.413480165458506 | epot = -15.3738494287033 | etot = -14.6424332456235
-899000  ekin = 0.305389123795995 |  erot = 0.376280077469328 | epot = -15.3241024468887 | etot = -14.6424332456234
-900000  ekin = 0.289072881395205 |  erot = 0.33783075231933 | epot = -15.2693368793137 | etot = -14.6424332455992
-901000  ekin = 0.268822686259722 |  erot = 0.298764046957525 | epot = -15.210019978764 | etot = -14.6424332455467
-902000  ekin = 0.244791653969059 |  erot = 0.259850521118117 | epot = -15.1470754205508 | etot = -14.6424332454636
-903000  ekin = 0.217514571462647 |  erot = 0.221968047210559 | epot = -15.0819158640231 | etot = -14.6424332453499
-904000  ekin = 0.187939204411547 |  erot = 0.186059692012671 | epot = -15.0164321416336 | etot = -14.6424332452094
-905000  ekin = 0.157410847731421 |  erot = 0.153084564883885 | epot = -14.9529286576649 | etot = -14.6424332450496
-906000  ekin = 0.127599356271486 |  erot = 0.123965703545322 | epot = -14.8939983046986 | etot = -14.6424332448818
-907000  ekin = 0.100365589130874 |  erot = 0.0995389863896986 | epot = -14.8423378202417 | etot = -14.6424332447211
-908000  ekin = 0.0775759855947723 |  erot = 0.0805066337401136 | epot = -14.8005158639184 | etot = -14.6424332445836
-909000  ekin = 0.0608876950035596 |  erot = 0.0673982354566904 | epot = -14.7707191749448 | etot = -14.6424332444846
-910000  ekin = 0.0515382922990323 |  erot = 0.0605415547705503 | epot = -14.754513091506 | etot = -14.6424332444364
-911000  ekin = 0.0501789452912214 |  erot = 0.0600446989619074 | epot = -14.7526568886984 | etot = -14.6424332444452
-912000  ekin = 0.0567846925756438 |  erot = 0.0657906450220636 | epot = -14.7650085821077 | etot = -14.64243324451
-913000  ekin = 0.0706603747975919 |  erot = 0.0774445361854764 | epot = -14.7905381556062 | etot = -14.6424332446231
-914000  ekin = 0.0905398584143928 |  erot = 0.09447356942817 | epot = -14.8274466726137 | etot = -14.6424332447712
-915000  ekin = 0.114756144633922 |  erot = 0.116178630204486 | epot = -14.8733680197766 | etot = -14.6424332449382
-916000  ekin = 0.1414470434077 |  erot = 0.141736093135148 | epot = -14.9256163816507 | etot = -14.6424332451079
-917000  ekin = 0.168758535424857 |  erot = 0.170247440483861 | epot = -14.9814392211747 | etot = -14.642433245266
-918000  ekin = 0.195014913443985 |  erot = 0.200793639362916 | epot = -15.0382417982087 | etot = -14.6424332454018
-919000  ekin = 0.218837422087163 |  erot = 0.232490666329869 | epot = -15.0937613339254 | etot = -14.6424332455083
-920000  ekin = 0.239206641026251 |  erot = 0.264542267085451 | epot = -15.1461821536942 | etot = -14.6424332455825
-921000  ekin = 0.255474577150147 |  erot = 0.296286050795695 | epot = -15.1941938735699 | etot = -14.6424332456241
-922000  ekin = 0.267338631216215 |  erot = 0.3272293631989 | epot = -15.2370012400505 | etot = -14.6424332456354
-923000  ekin = 0.274791412213643 |  erot = 0.357072039931594 | epot = -15.2742966977653 | etot = -14.6424332456201
-924000  ekin = 0.278059017514867 |  erot = 0.385714059427163 | epot = -15.3062063225251 | etot = -14.642433245583
-925000  ekin = 0.277537405166003 |  erot = 0.413247220090432 | epot = -15.3332178707861 | etot = -14.6424332455297
-926000  ekin = 0.273733135235186 |  erot = 0.439931173656859 | epot = -15.3560975543577 | etot = -14.6424332454656
-927000  ekin = 0.2672118596377 |  erot = 0.466155363878069 | epot = -15.3758004689124 | etot = -14.6424332453966
-928000  ekin = 0.258555847531663 |  erot = 0.492389553498773 | epot = -15.3933786463588 | etot = -14.6424332453284
-929000  ekin = 0.24833056788698 |  erot = 0.519126582978183 | epot = -15.4098903961313 | etot = -14.6424332452661
-930000  ekin = 0.237059747160854 |  erot = 0.546821711628368 | epot = -15.4263147040038 | etot = -14.6424332452146
-931000  ekin = 0.225208144800208 |  erot = 0.575833282920124 | epot = -15.443474672898 | etot = -14.6424332451776
-932000  ekin = 0.213171319360021 |  erot = 0.606369490848263 | epot = -15.4619740553664 | etot = -14.6424332451581
-933000  ekin = 0.201271722990002 |  erot = 0.638445690375275 | epot = -15.4821506585228 | etot = -14.6424332451576
-934000  ekin = 0.1897604601043 |  erot = 0.671856006695392 | epot = -15.5040497119758 | etot = -14.6424332451761
-935000  ekin = 0.178823941832683 |  erot = 0.706161996583481 | epot = -15.5274191836287 | etot = -14.6424332452125
-936000  ekin = 0.168594479109542 |  erot = 0.740699865833205 | epot = -15.5517275902069 | etot = -14.6424332452642
-937000  ekin = 0.159163635629853 |  erot = 0.774606336201985 | epot = -15.5762032171592 | etot = -14.6424332453274
-938000  ekin = 0.150596971910365 |  erot = 0.806861786792148 | epot = -15.5998920040998 | etot = -14.6424332453973
-939000  ekin = 0.142948711628503 |  erot = 0.836347883522741 | epot = -15.6217298406201 | etot = -14.6424332454689
-940000  ekin = 0.136274889167954 |  erot = 0.861915676025228 | epot = -15.6406238107298 | etot = -14.6424332455366
-941000  ekin = 0.130643703196503 |  erot = 0.882459199117352 | epot = -15.6555361479093 | etot = -14.6424332455954
-942000  ekin = 0.126142088159133 |  erot = 0.896989065169588 | epot = -15.6655643989696 | etot = -14.6424332456409
-943000  ekin = 0.122877886109422 |  erot = 0.904700444356994 | epot = -15.6700115761358 | etot = -14.6424332456694
-944000  ekin = 0.120977407412092 |  erot = 0.905030230235766 | epot = -15.6684408833268 | etot = -14.6424332456789
-945000  ekin = 0.120578563691415 |  erot = 0.897699054745272 | epot = -15.6607108641053 | etot = -14.6424332456687
-946000  ekin = 0.121820103594848 |  erot = 0.882735070928782 | epot = -15.6469884201628 | etot = -14.6424332456392
-947000  ekin = 0.12482776113095 |  erot = 0.860477935597256 | epot = -15.6277389423208 | etot = -14.6424332455926
-948000  ekin = 0.129698334170892 |  erot = 0.831563037039252 | epot = -15.6036946167425 | etot = -14.6424332455323
-949000  ekin = 0.136482857560577 |  erot = 0.79688755472377 | epot = -15.575803657747 | etot = -14.6424332454626
-950000  ekin = 0.145170138933631 |  erot = 0.757561255989922 | epot = -15.5451646403118 | etot = -14.6424332453883
-951000  ekin = 0.155672002997439 |  erot = 0.714845916095212 | epot = -15.5129511644071 | etot = -14.6424332453145
-952000  ekin = 0.167811650838207 |  erot = 0.670087833251298 | epot = -15.4803327293357 | etot = -14.6424332452462
-953000  ekin = 0.181316579472716 |  erot = 0.624648095212403 | epot = -15.448397919873 | etot = -14.6424332451879
-954000  ekin = 0.195817500701975 |  erot = 0.579835080695394 | epot = -15.4180858265403 | etot = -14.642433245143
-955000  ekin = 0.210854606876723 |  erot = 0.536843219767467 | epot = -15.3901310717581 | etot = -14.6424332451139
-956000  ekin = 0.225892299836499 |  erot = 0.496701376789209 | epot = -15.3650269217274 | etot = -14.6424332451017
-957000  ekin = 0.240343066496853 |  erot = 0.460233438090621 | epot = -15.3430097496933 | etot = -14.6424332451058
-958000  ekin = 0.253600493836736 |  erot = 0.42803284988996 | epot = -15.3240665888511 | etot = -14.6424332451244
-959000  ekin = 0.26508043374485 |  erot = 0.400452005454048 | epot = -15.3079656843528 | etot = -14.6424332451539
-960000  ekin = 0.274268068126471 |  erot = 0.377606549444118 | epot = -15.2943078627606 | etot = -14.6424332451901
-961000  ekin = 0.280767177999 |  erot = 0.359393861243669 | epot = -15.2825942844703 | etot = -14.6424332452277
-962000  ekin = 0.284346484058602 |  erot = 0.345524198810441 | epot = -15.2723039281306 | etot = -14.6424332452616
-963000  ekin = 0.284976816085034 |  erot = 0.335562232323024 | epot = -15.2629722936952 | etot = -14.6424332452871
-964000  ekin = 0.282852494243522 |  erot = 0.32897598649096 | epot = -15.2542617260352 | etot = -14.6424332453007
-965000  ekin = 0.278391086611738 |  erot = 0.325189577593378 | epot = -15.2460139095058 | etot = -14.6424332453007
-966000  ekin = 0.272207924676691 |  erot = 0.323635640146036 | epot = -15.2382768101097 | etot = -14.642433245287
-967000  ekin = 0.265065367869027 |  erot = 0.323803079983457 | epot = -15.2313016931143 | etot = -14.6424332452618
-968000  ekin = 0.257801293713719 |  erot = 0.325275872287662 | epot = -15.2255104112302 | etot = -14.6424332452289
-969000  ekin = 0.251245661475449 |  erot = 0.327759142574007 | epot = -15.2214380492423 | etot = -14.6424332451928
-970000  ekin = 0.246137008995739 |  erot = 0.331089781179757 | epot = -15.2196600353342 | etot = -14.6424332451587
-971000  ekin = 0.243051319619966 |  erot = 0.33523032566459 | epot = -15.2207148904156 | etot = -14.642433245131
-972000  ekin = 0.242353409643608 |  erot = 0.340246678804723 | epot = -15.2250333335617 | etot = -14.6424332451134
-973000  ekin = 0.244176338168007 |  erot = 0.346272190711145 | epot = -15.2328817739873 | etot = -14.6424332451082
-974000  ekin = 0.248428661663755 |  erot = 0.353462430362483 | epot = -15.2443243371428 | etot = -14.6424332451165
-975000  ekin = 0.254824314808551 |  erot = 0.361946299431228 | epot = -15.2592038593783 | etot = -14.6424332451385
-976000  ekin = 0.262926848825407 |  erot = 0.371779749930384 | epot = -15.2771398439293 | etot = -14.6424332451735
-977000  ekin = 0.272199235334814 |  erot = 0.382908123264365 | epot = -15.297540603819 | etot = -14.6424332452198
-978000  ekin = 0.282052066854459 |  erot = 0.395142048097357 | epot = -15.3196273602271 | etot = -14.6424332452753
-979000  ekin = 0.291885751915387 |  erot = 0.408150081470895 | epot = -15.3424690787234 | etot = -14.6424332453371
-980000  ekin = 0.30112508378997 |  erot = 0.421469125221684 | epot = -15.3650274544136 | etot = -14.642433245402
-981000  ekin = 0.309246535916074 |  erot = 0.434531423654951 | epot = -15.3862112050371 | etot = -14.642433245466
-982000  ekin = 0.315799497488349 |  erot = 0.44670496561477 | epot = -15.4049377086282 | etot = -14.6424332455251
-983000  ekin = 0.320422573217601 |  erot = 0.457342632741541 | epot = -15.4201984515344 | etot = -14.6424332455753
-984000  ekin = 0.322855465254285 |  erot = 0.465834622596771 | epot = -15.4311233334638 | etot = -14.6424332456128
-985000  ekin = 0.32294630247049 |  erot = 0.471658590971291 | epot = -15.4370381390766 | etot = -14.6424332456348
-986000  ekin = 0.320653917800856 |  erot = 0.474422556587777 | epot = -15.4375097200284 | etot = -14.6424332456398
-987000  ekin = 0.316044627357359 |  erot = 0.47389675551299 | epot = -15.4323746284975 | etot = -14.6424332456271
-988000  ekin = 0.309283477264266 |  erot = 0.470032116942702 | epot = -15.4217488398045 | etot = -14.6424332455975
-989000  ekin = 0.300620522165247 |  erot = 0.462964620619614 | epot = -15.4060183883377 | etot = -14.6424332455528
-990000  ekin = 0.290373280687973 |  erot = 0.453006262992725 | epot = -15.3858127891764 | etot = -14.6424332454957
-991000  ekin = 0.278906915703279 |  erot = 0.440624526217148 | epot = -15.3619646873498 | etot = -14.6424332454294
-992000  ekin = 0.266613826413674 |  erot = 0.42641300688918 | epot = -15.3354600786602 | etot = -14.6424332453573
-993000  ekin = 0.253894212446015 |  erot = 0.411056197522459 | epot = -15.3073836552517 | etot = -14.6424332452832
-994000  ekin = 0.241138837000525 |  erot = 0.395291372386185 | epot = -15.2788634545968 | etot = -14.6424332452101
-995000  ekin = 0.228714768908315 |  erot = 0.37987020785268 | epot = -15.2510182219022 | etot = -14.6424332451412
-996000  ekin = 0.216954417472588 |  erot = 0.365522282704471 | epot = -15.224909945256 | etot = -14.6424332450789
-997000  ekin = 0.206147766458975 |  erot = 0.352922066135133 | epot = -15.2015030776194 | etot = -14.6424332450253
-998000  ekin = 0.196537413161466 |  erot = 0.342660495987147 | epot = -15.1816311541304 | etot = -14.6424332449818
-999000  ekin = 0.188315843917223 |  erot = 0.335221830000783 | epot = -15.1659709188674 | etot = -14.6424332449494
-1000000  ekin = 0.181624323072292 |  erot = 0.330966139643599 | epot = -15.155023707645 | etot = -14.6424332449291
- 1000000  0.013453654   -1.5270261  0.011523695   -1.4973399 -0.00017938261 
-Loop time of 20.6222 on 1 procs for 1000000 steps with 10 atoms
-
-Performance: 41896.597 tau/day, 48491.432 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 16.511     | 16.511     | 16.511     |   0.0 | 80.07
-Bond    | 0.67362    | 0.67362    | 0.67362    |   0.0 |  3.27
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.28264    | 0.28264    | 0.28264    |   0.0 |  1.37
-Output  | 6.9141e-06 | 6.9141e-06 | 6.9141e-06 |   0.0 |  0.00
-Modify  | 2.735      | 2.735      | 2.735      |   0.0 | 13.26
-Other   |            | 0.4197     |            |       |  2.04
-
-Nlocal:    10 ave 10 max 10 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    43 ave 43 max 43 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 43
-Ave neighs/atom = 4.3
-Ave special neighs/atom = 3.6
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:20
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4 b/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
deleted file mode 100644
index ba8d099913..0000000000
--- a/examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
+++ /dev/null
@@ -1,1161 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 1
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex1
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  10 atoms
-  reading velocities ...
-  10 velocities
-  10 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  8 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  2 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-set atom * mass 3.1575
-  10 settings made for mass
-
-group all type 1 4
-10 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna/fene
-bond_coeff * 2.0 0.25 0.7525
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
-pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
-
-# NVE ensemble
-fix 1 all nve/dot
-#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.92828
-  ghost atom cutoff = 1.92828
-  binsize = 0.964142, bins = 42 42 42
-  5 neighbor lists, perpetual/occasional/extra = 5 0 0
-  (1) pair oxdna/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 7.341 | 7.523 | 7.705 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.4711818 0.0069384985   -1.4642433 -6.2745089e-05 
-1000  ekin = 0.00113448721737009 |  erot = 0.0041345594773427 | epot = -14.6477022915193 | etot = -14.6424332448246
-2000  ekin = 0.00449927223902292 |  erot = 0.0164446434455803 | epot = -14.6633771605337 | etot = -14.6424332448491
-3000  ekin = 0.00997964450840756 |  erot = 0.0366523356056466 | epot = -14.6890652250033 | etot = -14.6424332448892
-4000  ekin = 0.017388811129498 |  erot = 0.0643039804300251 | epot = -14.7241260365031 | etot = -14.6424332449436
-5000  ekin = 0.0264744514136422 |  erot = 0.0987844033142134 | epot = -14.7676920997383 | etot = -14.6424332450104
-6000  ekin = 0.0369277948555727 |  erot = 0.13933657105258 | epot = -14.8186976109956 | etot = -14.6424332450875
-7000  ekin = 0.0483950557190949 |  erot = 0.18508629569211 | epot = -14.8759145965832 | etot = -14.642433245172
-8000  ekin = 0.0604909336919856 |  erot = 0.235071307523581 | epot = -14.9379954864767 | etot = -14.6424332452611
-9000  ekin = 0.0728137406439518 |  erot = 0.288273694501614 | epot = -15.003520680497 | etot = -14.6424332453514
-10000  ekin = 0.0849615563084574 |  erot = 0.343654369293588 | epot = -15.0710491710418 | etot = -14.6424332454398
-11000  ekin = 0.0965486715044103 |  erot = 0.400187932108392 | epot = -15.1391698491357 | etot = -14.6424332455229
-12000  ekin = 0.107221466282716 |  erot = 0.456896095459393 | epot = -15.2065508073401 | etot = -14.642433245598
-13000  ekin = 0.116672809719361 |  erot = 0.512877765427946 | epot = -15.27198382081 | etot = -14.6424332456627
-14000  ekin = 0.124654073730849 |  erot = 0.567333962045503 | epot = -15.3344212814915 | etot = -14.6424332457151
-15000  ekin = 0.130983939684084 |  erot = 0.619586028257146 | epot = -15.3930032136957 | etot = -14.6424332457544
-16000  ekin = 0.135553354544703 |  erot = 0.66908602849033 | epot = -15.4470726288154 | etot = -14.6424332457804
-17000  ekin = 0.138326263958104 |  erot = 0.715418858086103 | epot = -15.4961783678378 | etot = -14.6424332457936
-18000  ekin = 0.139336096663942 |  erot = 0.758296324628468 | epot = -15.5400656670878 | etot = -14.6424332457954
-19000  ekin = 0.138678360045107 |  erot = 0.797544234276629 | epot = -15.5786558401095 | etot = -14.6424332457878
-20000  ekin = 0.136500074655344 |  erot = 0.83308420441182 | epot = -15.6120175248401 | etot = -14.642433245773
-21000  ekin = 0.13298706528568 |  erot = 0.864912408453368 | epot = -15.6403327194924 | etot = -14.6424332457533
-22000  ekin = 0.128350288213599 |  erot = 0.893077649558725 | epot = -15.6638611835035 | etot = -14.6424332457311
-23000  ekin = 0.122812385135574 |  erot = 0.917661024684598 | epot = -15.6829066555285 | etot = -14.6424332457083
-24000  ekin = 0.116595521408358 |  erot = 0.938759014332585 | epot = -15.6977877814273 | etot = -14.6424332456863
-25000  ekin = 0.109911323474882 |  erot = 0.95647120734756 | epot = -15.7088157764886 | etot = -14.6424332456662
-26000  ekin = 0.102953426207684 |  erot = 0.970893163953299 | epot = -15.7162798358093 | etot = -14.6424332456483
-27000  ekin = 0.0958928250746602 |  erot = 0.982114250193902 | epot = -15.7204403209011 | etot = -14.6424332456326
-28000  ekin = 0.08887594109497 |  erot = 0.990219731539409 | epot = -15.721528918253 | etot = -14.6424332456186
-29000  ekin = 0.0820250748771992 |  erot = 0.995296041202176 | epot = -15.7197543616852 | etot = -14.6424332456058
-30000  ekin = 0.0754407616837525 |  erot = 0.997437949319921 | epot = -15.7153119565969 | etot = -14.6424332455933
-31000  ekin = 0.0692054432607511 |  erot = 0.996756332760935 | epot = -15.708395021602 | etot = -14.6424332455803
-32000  ekin = 0.0633878377974532 |  erot = 0.993385345347625 | epot = -15.6992064287111 | etot = -14.6424332455661
-33000  ekin = 0.0580474070866977 |  erot = 0.987487973308193 | epot = -15.6879686259451 | etot = -14.6424332455502
-34000  ekin = 0.0532383791882916 |  erot = 0.979259192919847 | epot = -15.6749308176403 | etot = -14.6424332455322
-35000  ekin = 0.0490128758302373 |  erot = 0.96892619740531 | epot = -15.6603723187477 | etot = -14.6424332455122
-36000  ekin = 0.0454228081405034 |  erot = 0.956745409624112 | epot = -15.6446014632554 | etot = -14.6424332454908
-37000  ekin = 0.0425203357170931 |  erot = 0.942996237999014 | epot = -15.6279498191848 | etot = -14.6424332454687
-38000  ekin = 0.0403568280944582 |  erot = 0.927971766615185 | epot = -15.6107618401563 | etot = -14.6424332454467
-39000  ekin = 0.0389804214208553 |  erot = 0.911966804108842 | epot = -15.5933804709559 | etot = -14.6424332454262
-40000  ekin = 0.0384324238853386 |  erot = 0.89526395956212 | epot = -15.5761296288558 | etot = -14.6424332454083
-41000  ekin = 0.0387429860406854 |  erot = 0.878118672837898 | epot = -15.559294904273 | etot = -14.6424332453944
-42000  ekin = 0.0399266053637397 |  erot = 0.860744395135588 | epot = -15.543104245885 | etot = -14.6424332453857
-43000  ekin = 0.041978156101278 |  erot = 0.84329936535652 | epot = -15.5277107668409 | etot = -14.6424332453831
-44000  ekin = 0.044870189409001 |  erot = 0.825876603313516 | epot = -15.5131800381094 | etot = -14.6424332453868
-45000  ekin = 0.0485521857416513 |  erot = 0.808498758186241 | epot = -15.4994841893249 | etot = -14.642433245397
-46000  ekin = 0.0529522094038552 |  erot = 0.791119212188506 | epot = -15.486504667005 | etot = -14.6424332454127
-47000  ekin = 0.0579809824244721 |  erot = 0.773630265884098 | epot = -15.4740444937409 | etot = -14.6424332454323
-48000  ekin = 0.0635377846502182 |  erot = 0.755878310838203 | epot = -15.4618493409424 | etot = -14.6424332454539
-49000  ekin = 0.0695169124467202 |  erot = 0.737684732484798 | epot = -15.4496348904071 | etot = -14.6424332454756
-50000  ekin = 0.0758129058465097 |  erot = 0.718870126220151 | epot = -15.437116277562 | etot = -14.6424332454953
-51000  ekin = 0.0823226638652294 |  erot = 0.699278599520714 | epot = -15.424034508898 | etot = -14.642433245512
-52000  ekin = 0.0889431481344998 |  erot = 0.67879880710002 | epot = -15.4101752007595 | etot = -14.642433245525
-53000  ekin = 0.0955646689265025 |  erot = 0.657379086771117 | epot = -15.3953770012321 | etot = -14.6424332455345
-54000  ekin = 0.10206147751016 |  erot = 0.635035489169276 | epot = -15.3795302122208 | etot = -14.6424332455414
-55000  ekin = 0.108282960174665 |  erot = 0.611853171347244 | epot = -15.362569377068 | etot = -14.6424332455461
-56000  ekin = 0.114049426282277 |  erot = 0.587982945924297 | epot = -15.3444656177552 | etot = -14.6424332455486
-57000  ekin = 0.119155806187163 |  erot = 0.563635255922951 | epot = -15.3252243076589 | etot = -14.6424332455488
-58000  ekin = 0.123384552305545 |  erot = 0.539073355222428 | epot = -15.3048911530734 | etot = -14.6424332455454
-59000  ekin = 0.126526300954853 |  erot = 0.514606324858911 | epot = -15.2835658713509 | etot = -14.6424332455371
-60000  ekin = 0.128404399836229 |  erot = 0.490581338840044 | epot = -15.261418984199 | etot = -14.6424332455227
-61000  ekin = 0.128898142361897 |  erot = 0.467373892400972 | epot = -15.2387052802646 | etot = -14.6424332455018
-62000  ekin = 0.127959880289726 |  erot = 0.445374820086222 | epot = -15.2157679458511 | etot = -14.6424332454752
-63000  ekin = 0.125622870624277 |  erot = 0.424973765387148 | epot = -15.1930298814554 | etot = -14.642433245444
-64000  ekin = 0.121999044842466 |  erot = 0.406539918572074 | epot = -15.1709722088251 | etot = -14.6424332454105
-65000  ekin = 0.117268056618551 |  erot = 0.390401831020312 | epot = -15.1501031330161 | etot = -14.6424332453772
-66000  ekin = 0.11166038525652 |  erot = 0.376828594078856 | epot = -15.1309222246818 | etot = -14.6424332453464
-67000  ekin = 0.105437746904482 |  erot = 0.366014539811009 | epot = -15.1138855320359 | etot = -14.6424332453204
-68000  ekin = 0.0988737375602389 |  erot = 0.358069014155077 | epot = -15.0993759970158 | etot = -14.6424332453005
-69000  ekin = 0.0922368286498126 |  erot = 0.353011948771943 | epot = -15.0876820227093 | etot = -14.6424332452876
-70000  ekin = 0.0857769015271899 |  erot = 0.350775174164931 | epot = -15.078985320974 | etot = -14.6424332452819
-71000  ekin = 0.0797156921641249 |  erot = 0.351208844245481 | epot = -15.0733577816927 | etot = -14.6424332452831
-72000  ekin = 0.0742409440407228 |  erot = 0.354092037747166 | epot = -15.0707662270784 | etot = -14.6424332452906
-73000  ekin = 0.069503749870388 |  erot = 0.359146526961232 | epot = -15.0710835221349 | etot = -14.6424332453033
-74000  ekin = 0.065618449742691 |  erot = 0.366052769878692 | epot = -15.0741044649412 | etot = -14.6424332453199
-75000  ekin = 0.0626644690394284 |  erot = 0.374467290033975 | epot = -15.0795650044124 | etot = -14.642433245339
-76000  ekin = 0.0606895535091863 |  erot = 0.384040683403432 | epot = -15.087163482272 | etot = -14.6424332453594
-77000  ekin = 0.0597139401241188 |  erot = 0.394435495892894 | epot = -15.0965826813962 | etot = -14.6424332453792
-78000  ekin = 0.0597350629875199 |  erot = 0.405343151481916 | epot = -15.107511459867 | etot = -14.6424332453975
-79000  ekin = 0.0607324264361021 |  erot = 0.4164990176427 | epot = -15.1196646894919 | etot = -14.6424332454131
-80000  ekin = 0.0626722904954161 |  erot = 0.427694630238743 | epot = -15.1328001661592 | etot = -14.6424332454251
-81000  ekin = 0.0655118235331528 |  erot = 0.438786127849131 | epot = -15.1467311968152 | etot = -14.6424332454329
-82000  ekin = 0.0692024020836604 |  erot = 0.449698113830624 | epot = -15.1613337613509 | etot = -14.6424332454366
-83000  ekin = 0.0736917936904884 |  erot = 0.460422490740831 | epot = -15.1765475298676 | etot = -14.6424332454363
-84000  ekin = 0.0789250526542207 |  erot = 0.471012272295187 | epot = -15.1923705703823 | etot = -14.6424332454329
-85000  ekin = 0.0848440878742484 |  erot = 0.481570908650517 | epot = -15.2088482419521 | etot = -14.6424332454273
-86000  ekin = 0.0913860133243867 |  erot = 0.492238169206351 | epot = -15.2260574279515 | etot = -14.6424332454207
-87000  ekin = 0.0984805441186007 |  erot = 0.503174014617495 | epot = -15.2440878041506 | etot = -14.6424332454146
-88000  ekin = 0.106046830302566 |  erot = 0.514542076496893 | epot = -15.2630221522094 | etot = -14.6424332454099
-89000  ekin = 0.113990204125935 |  erot = 0.526494309539958 | epot = -15.2829177590739 | etot = -14.642433245408
-90000  ekin = 0.122199339149549 |  erot = 0.539158097286396 | epot = -15.3037906818453 | etot = -14.6424332454094
-91000  ekin = 0.130544275968789 |  erot = 0.552626637866402 | epot = -15.3256041592497 | etot = -14.6424332454146
-92000  ekin = 0.138875666145969 |  erot = 0.566952900962838 | epot = -15.3482618125326 | etot = -14.6424332454238
-93000  ekin = 0.14702544061161 |  erot = 0.582146933738122 | epot = -15.3716056197866 | etot = -14.6424332454369
-94000  ekin = 0.154808946844654 |  erot = 0.598175891801918 | epot = -15.3954180841001 | etot = -14.6424332454535
-95000  ekin = 0.162028449598908 |  erot = 0.614965942454569 | epot = -15.4194276375267 | etot = -14.6424332454732
-96000  ekin = 0.168477779664562 |  erot = 0.632405154082769 | epot = -15.4433161792427 | etot = -14.6424332454953
-97000  ekin = 0.173947863023519 |  erot = 0.650346631629065 | epot = -15.466727740172 | etot = -14.6424332455194
-98000  ekin = 0.178232875001165 |  erot = 0.668611435746703 | epot = -15.4892775562927 | etot = -14.6424332455449
-99000  ekin = 0.181136831923469 |  erot = 0.686991165056991 | epot = -15.5105612425515 | etot = -14.6424332455711
-100000  ekin = 0.182480533640974 |  erot = 0.705250413408614 | epot = -15.530164192647 | etot = -14.6424332455974
-101000  ekin = 0.182108871449632 |  erot = 0.723129571004103 | epot = -15.5476716880769 | etot = -14.6424332456232
-102000  ekin = 0.179898581168339 |  erot = 0.740348571091352 | epot = -15.5626803979071 | etot = -14.6424332456474
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-104000  ekin = 0.169678431534372 |  erot = 0.771617166852996 | epot = -15.5837288440748 | etot = -14.6424332456874
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-127000  ekin = 0.0925398817831139 |  erot = 0.573725774405781 | epot = -15.3086989016655 | etot = -14.6424332454766
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-680000  ekin = 0.134310862655746 |  erot = 0.462390968605226 | epot = -15.2391350767392 | etot = -14.6424332454783
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-717000  ekin = 0.216355400176841 |  erot = 0.621454592037002 | epot = -15.4802432376871 | etot = -14.6424332454732
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-821000  ekin = 0.1285883867301 |  erot = 0.496309093118099 | epot = -15.2673307247365 | etot = -14.6424332448883
-822000  ekin = 0.122284066136782 |  erot = 0.467617125516122 | epot = -15.2323344365175 | etot = -14.6424332448646
-823000  ekin = 0.119278020924313 |  erot = 0.442666228479138 | epot = -15.2043774942681 | etot = -14.6424332448646
-824000  ekin = 0.119546158603652 |  erot = 0.421490682739058 | epot = -15.1834700862299 | etot = -14.6424332448872
-825000  ekin = 0.122931110514523 |  erot = 0.40390434222418 | epot = -15.1692686976689 | etot = -14.6424332449302
-826000  ekin = 0.129150803764299 |  erot = 0.389525075000447 | epot = -15.1611091237554 | etot = -14.6424332449907
-827000  ekin = 0.137812176399144 |  erot = 0.377809252270954 | epot = -15.158054673735 | etot = -14.6424332450649
-828000  ekin = 0.14843033160834 |  erot = 0.368094906963214 | epot = -15.1589584837195 | etot = -14.6424332451479
-829000  ekin = 0.160453205761645 |  erot = 0.359651737512377 | epot = -15.1625381885086 | etot = -14.6424332452346
-830000  ekin = 0.173291382896719 |  erot = 0.351735589545628 | epot = -15.1674602177614 | etot = -14.6424332453191
-831000  ekin = 0.186352012962919 |  erot = 0.343644456330166 | epot = -15.1724297146887 | etot = -14.6424332453957
-832000  ekin = 0.199074924605406 |  erot = 0.334772487921297 | epot = -15.1762806579857 | etot = -14.642433245459
-833000  ekin = 0.210968084880445 |  erot = 0.324658115189039 | epot = -15.1780594455739 | etot = -14.6424332455044
-834000  ekin = 0.221638757256876 |  erot = 0.31302232344262 | epot = -15.1770943262284 | etot = -14.6424332455289
-835000  ekin = 0.230816330001854 |  erot = 0.299793483326917 | epot = -15.1730430588598 | etot = -14.642433245531
-836000  ekin = 0.238363132174117 |  erot = 0.285116039961078 | epot = -15.1659124176467 | etot = -14.6424332455115
-837000  ekin = 0.244270841530878 |  erot = 0.269341751259836 | epot = -15.1560458382641 | etot = -14.6424332454734
-838000  ekin = 0.248642320235611 |  erot = 0.253003904104012 | epot = -15.1440794697608 | etot = -14.6424332454211
-839000  ekin = 0.251661569327577 |  erot = 0.236776758987282 | epot = -15.1308715736755 | etot = -14.6424332453606
-840000  ekin = 0.253557306828159 |  erot = 0.221424057161585 | epot = -15.1174146092877 | etot = -14.6424332452979
-841000  ekin = 0.254567562696711 |  erot = 0.20774147574365 | epot = -15.1047422836789 | etot = -14.6424332452386
-842000  ekin = 0.254912814683647 |  erot = 0.196498262354328 | epot = -15.0938443222247 | etot = -14.6424332451867
-843000  ekin = 0.254783130765731 |  erot = 0.188382921787082 | epot = -15.0855992976979 | etot = -14.6424332451451
-844000  ekin = 0.254340789697796 |  erot = 0.183956927272106 | epot = -15.0807309620845 | etot = -14.6424332451146
-845000  ekin = 0.253734932891626 |  erot = 0.183619247980584 | epot = -15.0797874259675 | etot = -14.6424332450953
-846000  ekin = 0.253120504196072 |  erot = 0.187583282239813 | epot = -15.0831370315223 | etot = -14.6424332450865
-847000  ekin = 0.252671650088183 |  erot = 0.195866742639043 | epot = -15.0909716378151 | etot = -14.6424332450879
-848000  ekin = 0.252580915310197 |  erot = 0.208294222463049 | epot = -15.103308382873 | etot = -14.6424332450997
-849000  ekin = 0.253039966848168 |  erot = 0.224511555531714 | epot = -15.1199847675025 | etot = -14.6424332451226
-850000  ekin = 0.254204001798429 |  erot = 0.244010590097668 | epot = -15.1406478370534 | etot = -14.6424332451573
-851000  ekin = 0.256148339026697 |  erot = 0.266162563602488 | epot = -15.1647441478331 | etot = -14.6424332452039
-852000  ekin = 0.258829686440493 |  erot = 0.290257858698055 | epot = -15.1915207903997 | etot = -14.6424332452612
-853000  ekin = 0.262064657828486 |  erot = 0.315549558167563 | epot = -15.2200474613222 | etot = -14.6424332453261
-854000  ekin = 0.265534116122544 |  erot = 0.3412979477362 | epot = -15.2492653092528 | etot = -14.642433245394
-855000  ekin = 0.268815174653471 |  erot = 0.366813004430713 | epot = -15.2780614245432 | etot = -14.642433245459
-856000  ekin = 0.271435486954491 |  erot = 0.391492007901263 | epot = -15.3053607403707 | etot = -14.6424332455149
-857000  ekin = 0.272939108062895 |  erot = 0.414849750473244 | epot = -15.3302221040925 | etot = -14.6424332455563
-858000  ekin = 0.272951155039673 |  erot = 0.436539390687867 | epot = -15.3519237913068 | etot = -14.6424332455792
-859000  ekin = 0.271229880676363 |  erot = 0.456362750059196 | epot = -15.3700258763173 | etot = -14.6424332455817
-860000  ekin = 0.267698633833807 |  erot = 0.474269718460551 | epot = -15.3844015978586 | etot = -14.6424332455643
-861000  ekin = 0.262455001752809 |  erot = 0.490347316007701 | epot = -15.3952355632894 | etot = -14.6424332455289
-862000  ekin = 0.255758797176621 |  erot = 0.504799761298855 | epot = -15.4029918039549 | etot = -14.6424332454794
-863000  ekin = 0.24800356434136 |  erot = 0.517921532812456 | epot = -15.4083583425742 | etot = -14.6424332454204
-864000  ekin = 0.239677655584812 |  erot = 0.530065823503365 | epot = -15.4121767244452 | etot = -14.642433245357
-865000  ekin = 0.231320889445349 |  erot = 0.541610953534325 | epot = -15.4153650882738 | etot = -14.6424332452942
-866000  ekin = 0.223481813676273 |  erot = 0.552927233331992 | epot = -15.4188422922445 | etot = -14.6424332452362
-867000  ekin = 0.216679174491962 |  erot = 0.56434649943238 | epot = -15.4234589191111 | etot = -14.6424332451867
-868000  ekin = 0.211369750018252 |  erot = 0.576136138938899 | epot = -15.4299391341059 | etot = -14.6424332451488
-869000  ekin = 0.207923502308352 |  erot = 0.588478941151549 | epot = -15.438835688584 | etot = -14.6424332451241
-870000  ekin = 0.206606153000488 |  erot = 0.601459626890518 | epot = -15.4504990250047 | etot = -14.6424332451137
-871000  ekin = 0.207568796758665 |  erot = 0.615058451105769 | epot = -15.4650604929824 | etot = -14.6424332451179
-872000  ekin = 0.210843969902117 |  erot = 0.629151875759721 | epot = -15.4824290907979 | etot = -14.642433245136
-873000  ekin = 0.216347593119518 |  erot = 0.643519970833803 | epot = -15.50230080912 | etot = -14.6424332451667
-874000  ekin = 0.223886305143568 |  erot = 0.657859909730861 | epot = -15.5241794600824 | etot = -14.642433245208
-875000  ekin = 0.233169807553262 |  erot = 0.671804662211148 | epot = -15.5474077150218 | etot = -14.6424332452574
-876000  ekin = 0.243827877963711 |  erot = 0.684945735800201 | epot = -15.571206859076 | etot = -14.642433245312
-877000  ekin = 0.255431632546027 |  erot = 0.696858567354813 | epot = -15.5947234452694 | etot = -14.6424332453685
-878000  ekin = 0.267518408513302 |  erot = 0.707128927389039 | epot = -15.6170805813258 | etot = -14.6424332454235
-879000  ekin = 0.279619300259058 |  erot = 0.715378495721438 | epot = -15.637431041454 | etot = -14.6424332454735
-880000  ekin = 0.291287955020503 |  erot = 0.721287639199418 | epot = -15.6550088397355 | etot = -14.6424332455156
-881000  ekin = 0.302128778464605 |  erot = 0.724613422810924 | epot = -15.6691754468228 | etot = -14.6424332455472
-882000  ekin = 0.31182230406878 |  erot = 0.725201068177037 | epot = -15.6794566178127 | etot = -14.6424332455669
-883000  ekin = 0.320145243787645 |  erot = 0.722987481104317 | epot = -15.6855659704657 | etot = -14.6424332455737
-884000  ekin = 0.326982762198833 |  erot = 0.717996120159309 | epot = -15.6874121279266 | etot = -14.6424332455685
-885000  ekin = 0.332330882212394 |  erot = 0.710323349672191 | epot = -15.6850874774375 | etot = -14.6424332455529
-886000  ekin = 0.336287673330895 |  erot = 0.700117442976369 | epot = -15.6788383618372 | etot = -14.6424332455299
-887000  ekin = 0.339032964151514 |  erot = 0.687552454437141 | epot = -15.6690186640918 | etot = -14.6424332455032
-888000  ekin = 0.340797654544245 |  erot = 0.672800100945642 | epot = -15.6560310009668 | etot = -14.642433245477
-889000  ekin = 0.341825106158877 |  erot = 0.65600340710247 | epot = -15.6402617587168 | etot = -14.6424332454555
-890000  ekin = 0.342328347575086 |  erot = 0.637256013166159 | epot = -15.6220176061834 | etot = -14.6424332454421
-891000  ekin = 0.342447730491975 |  erot = 0.616590618570723 | epot = -15.6014715945023 | etot = -14.6424332454396
-892000  ekin = 0.342214057411655 |  erot = 0.593979026507039 | epot = -15.5786263293678 | etot = -14.6424332454491
-893000  ekin = 0.341522004910065 |  erot = 0.569344767734354 | epot = -15.5533000181144 | etot = -14.6424332454699
-894000  ekin = 0.340117934117532 |  erot = 0.542587519917411 | epot = -15.5251386995349 | etot = -14.6424332454999
-895000  ekin = 0.337605044782463 |  erot = 0.513616778982068 | epot = -15.4936550692998 | etot = -14.6424332455353
-896000  ekin = 0.333467462872296 |  erot = 0.482390775175794 | epot = -15.458291483619 | etot = -14.6424332455709
-897000  ekin = 0.327113397522047 |  erot = 0.448955709004676 | epot = -15.4185023521276 | etot = -14.6424332456009
-898000  ekin = 0.317936017621463 |  erot = 0.413480165460617 | epot = -15.3738494287011 | etot = -14.642433245619
-899000  ekin = 0.305389123797586 |  erot = 0.37628007747055 | epot = -15.3241024468869 | etot = -14.6424332456188
-900000  ekin = 0.289072881398034 |  erot = 0.337830752319645 | epot = -15.2693368793123 | etot = -14.6424332455946
-901000  ekin = 0.268822686263592 |  erot = 0.298764046956938 | epot = -15.2100199787627 | etot = -14.6424332455422
-902000  ekin = 0.24479165397371 |  erot = 0.259850521116705 | epot = -15.1470754205494 | etot = -14.642433245459
-903000  ekin = 0.217514571467766 |  erot = 0.221968047208425 | epot = -15.0819158640215 | etot = -14.6424332453453
-904000  ekin = 0.187939204416785 |  erot = 0.186059692009975 | epot = -15.0164321416314 | etot = -14.6424332452047
-905000  ekin = 0.157410847736408 |  erot = 0.153084564880817 | epot = -14.9529286576619 | etot = -14.6424332450446
-906000  ekin = 0.127599356275853 |  erot = 0.123965703542096 | epot = -14.8939983046948 | etot = -14.6424332448769
-907000  ekin = 0.100365589134282 |  erot = 0.0995389863865378 | epot = -14.8423378202369 | etot = -14.6424332447161
-908000  ekin = 0.077575985596938 |  erot = 0.0805066337372383 | epot = -14.8005158639127 | etot = -14.6424332445785
-909000  ekin = 0.0608876950042913 |  erot = 0.067398235454302 | epot = -14.770719174938 | etot = -14.6424332444794
-910000  ekin = 0.0515382922982553 |  erot = 0.0605415547688289 | epot = -14.7545130914983 | etot = -14.6424332444312
-911000  ekin = 0.0501789452889865 |  erot = 0.0600446989609947 | epot = -14.7526568886899 | etot = -14.64243324444
-912000  ekin = 0.0567846925721246 |  erot = 0.0657906450220629 | epot = -14.7650085820989 | etot = -14.6424332445047
-913000  ekin = 0.0706603747930615 |  erot = 0.0774445361864401 | epot = -14.7905381555972 | etot = -14.6424332446177
-914000  ekin = 0.0905398584091933 |  erot = 0.0944735694301048 | epot = -14.8274466726051 | etot = -14.6424332447658
-915000  ekin = 0.114756144628423 |  erot = 0.116178630207352 | epot = -14.8733680197685 | etot = -14.6424332449327
-916000  ekin = 0.141447043402261 |  erot = 0.141736093138861 | epot = -14.9256163816435 | etot = -14.6424332451024
-917000  ekin = 0.168758535419804 |  erot = 0.170247440488293 | epot = -14.9814392211687 | etot = -14.6424332452606
-918000  ekin = 0.195014913439577 |  erot = 0.200793639367908 | epot = -15.0382417982038 | etot = -14.6424332453963
-919000  ekin = 0.218837422083594 |  erot = 0.232490666335247 | epot = -15.0937613339217 | etot = -14.6424332455029
-920000  ekin = 0.239206641023645 |  erot = 0.264542267091037 | epot = -15.1461821536917 | etot = -14.642433245577
-921000  ekin = 0.255474577148561 |  erot = 0.296286050801315 | epot = -15.1941938735685 | etot = -14.6424332456186
-922000  ekin = 0.267338631215656 |  erot = 0.327229363204391 | epot = -15.2370012400499 | etot = -14.6424332456299
-923000  ekin = 0.274791412214081 |  erot = 0.357072039936817 | epot = -15.2742966977655 | etot = -14.6424332456146
-924000  ekin = 0.278059017516243 |  erot = 0.385714059432018 | epot = -15.3062063225258 | etot = -14.6424332455775
-925000  ekin = 0.277537405168241 |  erot = 0.41324722009486 | epot = -15.3332178707873 | etot = -14.6424332455242
-926000  ekin = 0.273733135238203 |  erot = 0.439931173660845 | epot = -15.3560975543592 | etot = -14.6424332454601
-927000  ekin = 0.267211859641411 |  erot = 0.46615536388163 | epot = -15.3758004689142 | etot = -14.6424332453911
-928000  ekin = 0.258555847535982 |  erot = 0.492389553501975 | epot = -15.3933786463608 | etot = -14.6424332453229
-929000  ekin = 0.248330567891816 |  erot = 0.519126582981108 | epot = -15.4098903961335 | etot = -14.6424332452606
-930000  ekin = 0.237059747166114 |  erot = 0.546821711631127 | epot = -15.4263147040064 | etot = -14.6424332452091
-931000  ekin = 0.225208144805798 |  erot = 0.57583328292282 | epot = -15.4434746729008 | etot = -14.6424332451722
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-934000  ekin = 0.189760460110219 |  erot = 0.671856006698404 | epot = -15.5040497119793 | etot = -14.6424332451707
-935000  ekin = 0.178823941838474 |  erot = 0.706161996586672 | epot = -15.5274191836322 | etot = -14.6424332452071
-936000  ekin = 0.168594479115077 |  erot = 0.740699865836542 | epot = -15.5517275902104 | etot = -14.6424332452587
-937000  ekin = 0.159163635635008 |  erot = 0.774606336205393 | epot = -15.5762032171623 | etot = -14.6424332453219
-938000  ekin = 0.150596971915019 |  erot = 0.806861786795504 | epot = -15.5998920041024 | etot = -14.6424332453919
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-940000  ekin = 0.136274889171307 |  erot = 0.861915676028113 | epot = -15.6406238107306 | etot = -14.6424332455312
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-942000  ekin = 0.126142088160929 |  erot = 0.896989065171445 | epot = -15.6655643989678 | etot = -14.6424332456355
-943000  ekin = 0.122877886110413 |  erot = 0.904700444358206 | epot = -15.6700115761326 | etot = -14.642433245664
-944000  ekin = 0.120977407412306 |  erot = 0.905030230236292 | epot = -15.6684408833221 | etot = -14.6424332456735
-945000  ekin = 0.120578563690912 |  erot = 0.897699054745102 | epot = -15.6607108640992 | etot = -14.6424332456632
-946000  ekin = 0.121820103593719 |  erot = 0.882735070927983 | epot = -15.6469884201554 | etot = -14.6424332456337
-947000  ekin = 0.124827761129314 |  erot = 0.860477935595928 | epot = -15.6277389423123 | etot = -14.6424332455871
-948000  ekin = 0.129698334168894 |  erot = 0.831563037037535 | epot = -15.6036946167333 | etot = -14.6424332455268
-949000  ekin = 0.136482857558376 |  erot = 0.796887554721867 | epot = -15.5758036577374 | etot = -14.6424332454571
-950000  ekin = 0.145170138931399 |  erot = 0.757561255988068 | epot = -15.5451646403023 | etot = -14.6424332453828
-951000  ekin = 0.155672002995351 |  erot = 0.714845916093614 | epot = -15.512951164398 | etot = -14.642433245309
-952000  ekin = 0.167811650836438 |  erot = 0.670087833250183 | epot = -15.4803327293273 | etot = -14.6424332452407
-953000  ekin = 0.181316579471426 |  erot = 0.624648095211963 | epot = -15.4483979198658 | etot = -14.6424332451824
-954000  ekin = 0.195817500701304 |  erot = 0.579835080695791 | epot = -15.4180858265346 | etot = -14.6424332451375
-955000  ekin = 0.210854606876787 |  erot = 0.536843219768805 | epot = -15.390131071754 | etot = -14.6424332451084
-956000  ekin = 0.225892299837379 |  erot = 0.496701376791544 | epot = -15.3650269217251 | etot = -14.6424332450962
-957000  ekin = 0.240343066498589 |  erot = 0.460233438093954 | epot = -15.3430097496929 | etot = -14.6424332451004
-958000  ekin = 0.25360049383932 |  erot = 0.428032849894234 | epot = -15.3240665888525 | etot = -14.6424332451189
-959000  ekin = 0.265080433748221 |  erot = 0.400452005459141 | epot = -15.3079656843558 | etot = -14.6424332451485
-960000  ekin = 0.274268068130506 |  erot = 0.37760654944986 | epot = -15.294307862765 | etot = -14.6424332451846
-961000  ekin = 0.280767178003527 |  erot = 0.359393861249854 | epot = -15.2825942844756 | etot = -14.6424332452222
-962000  ekin = 0.284346484063387 |  erot = 0.345524198816839 | epot = -15.2723039281363 | etot = -14.6424332452561
-963000  ekin = 0.284976816089799 |  erot = 0.335562232329375 | epot = -15.2629722937007 | etot = -14.6424332452816
-964000  ekin = 0.282852494247959 |  erot = 0.328975986497034 | epot = -15.2542617260401 | etot = -14.6424332452952
-965000  ekin = 0.278391086615529 |  erot = 0.325189577598941 | epot = -15.2460139095095 | etot = -14.6424332452951
-966000  ekin = 0.272207924679531 |  erot = 0.323635640150906 | epot = -15.2382768101118 | etot = -14.6424332452814
-967000  ekin = 0.265065367870656 |  erot = 0.323803079987486 | epot = -15.2313016931143 | etot = -14.6424332452561
-968000  ekin = 0.257801293713953 |  erot = 0.325275872290767 | epot = -15.2255104112278 | etot = -14.6424332452231
-969000  ekin = 0.251245661474204 |  erot = 0.327759142576171 | epot = -15.2214380492373 | etot = -14.642433245187
-970000  ekin = 0.246137008993053 |  erot = 0.331089781181015 | epot = -15.2196600353269 | etot = -14.6424332451528
-971000  ekin = 0.243051319616002 |  erot = 0.335230325665042 | epot = -15.2207148904062 | etot = -14.6424332451251
-972000  ekin = 0.242353409638639 |  erot = 0.340246678804514 | epot = -15.2250333335506 | etot = -14.6424332451075
-973000  ekin = 0.244176338162395 |  erot = 0.34627219071044 | epot = -15.2328817739751 | etot = -14.6424332451022
-974000  ekin = 0.248428661657912 |  erot = 0.353462430361481 | epot = -15.24432433713 | etot = -14.6424332451106
-975000  ekin = 0.254824314802904 |  erot = 0.361946299430119 | epot = -15.2592038593657 | etot = -14.6424332451327
-976000  ekin = 0.262926848820355 |  erot = 0.371779749929349 | epot = -15.2771398439173 | etot = -14.6424332451676
-977000  ekin = 0.272199235330701 |  erot = 0.38290812326356 | epot = -15.2975406038081 | etot = -14.6424332452139
-978000  ekin = 0.282052066851546 |  erot = 0.395142048096898 | epot = -15.3196273602178 | etot = -14.6424332452693
-979000  ekin = 0.291885751913825 |  erot = 0.408150081470842 | epot = -15.3424690787159 | etot = -14.6424332453312
-980000  ekin = 0.301125083789806 |  erot = 0.421469125222054 | epot = -15.365027454408 | etot = -14.6424332453961
-981000  ekin = 0.309246535917258 |  erot = 0.434531423655728 | epot = -15.3862112050331 | etot = -14.6424332454601
-982000  ekin = 0.315799497490744 |  erot = 0.446704965615888 | epot = -15.4049377086259 | etot = -14.6424332455192
-983000  ekin = 0.320422573221004 |  erot = 0.457342632742922 | epot = -15.4201984515333 | etot = -14.6424332455694
-984000  ekin = 0.322855465258447 |  erot = 0.465834622598312 | epot = -15.4311233334637 | etot = -14.6424332456069
-985000  ekin = 0.322946302475138 |  erot = 0.471658590972897 | epot = -15.437038139077 | etot = -14.642433245629
-986000  ekin = 0.320653917805709 |  erot = 0.474422556589351 | epot = -15.437509720029 | etot = -14.6424332456339
-987000  ekin = 0.316044627362148 |  erot = 0.47389675551445 | epot = -15.4323746284979 | etot = -14.6424332456213
-988000  ekin = 0.309283477268748 |  erot = 0.470032116944019 | epot = -15.4217488398044 | etot = -14.6424332455917
-989000  ekin = 0.30062052216921 |  erot = 0.462964620620772 | epot = -15.406018388337 | etot = -14.642433245547
-990000  ekin = 0.290373280691244 |  erot = 0.45300626299374 | epot = -15.3858127891748 | etot = -14.6424332454898
-991000  ekin = 0.278906915705727 |  erot = 0.440624526218079 | epot = -15.3619646873473 | etot = -14.6424332454235
-992000  ekin = 0.266613826415212 |  erot = 0.426413006890097 | epot = -15.3354600786568 | etot = -14.6424332453515
-993000  ekin = 0.253894212446597 |  erot = 0.411056197523472 | epot = -15.3073836552474 | etot = -14.6424332452773
-994000  ekin = 0.241138837000143 |  erot = 0.395291372387429 | epot = -15.2788634545919 | etot = -14.6424332452043
-995000  ekin = 0.228714768906998 |  erot = 0.379870207854295 | epot = -15.2510182218967 | etot = -14.6424332451354
-996000  ekin = 0.216954417470394 |  erot = 0.365522282706593 | epot = -15.2249099452501 | etot = -14.6424332450731
-997000  ekin = 0.20614776645599 |  erot = 0.35292206613789 | epot = -15.2015030776133 | etot = -14.6424332450194
-998000  ekin = 0.196537413157798 |  erot = 0.342660495990661 | epot = -15.1816311541244 | etot = -14.6424332449759
-999000  ekin = 0.188315843913 |  erot = 0.335221830005141 | epot = -15.1659709188617 | etot = -14.6424332449435
-1000000  ekin = 0.181624323067651 |  erot = 0.330966139648843 | epot = -15.1550237076396 | etot = -14.6424332449231
- 1000000  0.013453654   -1.5270261  0.011523695   -1.4973399 -0.00016850969 
-Loop time of 18.8945 on 4 procs for 1000000 steps with 10 atoms
-
-Performance: 45727.664 tau/day, 52925.537 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.58931    | 7.2806     | 13.001     | 192.7 | 38.53
-Bond    | 0.08158    | 0.3024     | 0.49236    |  29.7 |  1.60
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 1.6616     | 1.8619     | 2.1581     |  13.8 |  9.85
-Output  | 2.2173e-05 | 2.4319e-05 | 2.5034e-05 |   0.0 |  0.00
-Modify  | 0.20928    | 0.94821    | 1.6085     |  58.7 |  5.02
-Other   |            | 8.501      |            |       | 44.99
-
-Nlocal:    2.5 ave 5 max 0 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-Nghost:    7.5 ave 10 max 5 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-Neighs:    17.5 ave 33 max 0 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-
-Total # of neighbors = 70
-Ave neighs/atom = 7
-Ave special neighs/atom = 3.6
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:18
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.1 b/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.1
new file mode 100644
index 0000000000..abbd917f05
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.1
@@ -0,0 +1,172 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 1
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex1
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  reading velocities ...
+  10 velocities
+  10 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  8 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  2 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+set atom * mass 3.1575
+  10 settings made for mass
+
+group all type 1 4
+10 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna/fene
+bond_coeff * 2.0 0.25 0.7525
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
+pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
+
+# NVE ensemble
+fix 1 all nve/dot
+#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.92828
+  ghost atom cutoff = 1.92828
+  binsize = 0.964142, bins = 42 42 42
+  5 neighbor lists, perpetual/occasional/extra = 5 0 0
+  (1) pair oxdna/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 2.859 | 2.859 | 2.859 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.4711818 0.0069384985   -1.4642433 -6.2745089e-05 
+1000  ekin = 0.00113448721737003 |  erot = 0.00413455947734281 | epot = -14.6477022915193 | etot = -14.6424332448246
+2000  ekin = 0.00449927223902336 |  erot = 0.0164446434455805 | epot = -14.6633771605337 | etot = -14.6424332448491
+3000  ekin = 0.00997964450841065 |  erot = 0.0366523356056461 | epot = -14.6890652250033 | etot = -14.6424332448892
+4000  ekin = 0.0173888111295073 |  erot = 0.0643039804300221 | epot = -14.7241260365031 | etot = -14.6424332449436
+5000  ekin = 0.0264744514136619 |  erot = 0.0987844033142066 | epot = -14.7676920997383 | etot = -14.6424332450104
+6000  ekin = 0.0369277948556079 |  erot = 0.139336571052565 | epot = -14.8186976109956 | etot = -14.6424332450875
+7000  ekin = 0.04839505571915 |  erot = 0.18508629569208 | epot = -14.8759145965832 | etot = -14.642433245172
+8000  ekin = 0.0604909336920643 |  erot = 0.23507130752353 | epot = -14.9379954864767 | etot = -14.6424332452611
+9000  ekin = 0.0728137406440561 |  erot = 0.288273694501537 | epot = -15.003520680497 | etot = -14.6424332453514
+10000  ekin = 0.0849615563085879 |  erot = 0.343654369293472 | epot = -15.0710491710418 | etot = -14.6424332454398
+   10000 0.0062934486   -1.5138305 0.0067255788   -1.4986088 -9.9021593e-05 
+Loop time of 0.141929 on 1 procs for 10000 steps with 10 atoms
+
+Performance: 60875.649 tau/day, 70457.927 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.11467    | 0.11467    | 0.11467    |   0.0 | 80.79
+Bond    | 0.0050094  | 0.0050094  | 0.0050094  |   0.0 |  3.53
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0013616  | 0.0013616  | 0.0013616  |   0.0 |  0.96
+Output  | 4.0531e-06 | 4.0531e-06 | 4.0531e-06 |   0.0 |  0.00
+Modify  | 0.017901   | 0.017901   | 0.017901   |   0.0 | 12.61
+Other   |            | 0.002982   |            |       |  2.10
+
+Nlocal:    10 ave 10 max 10 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    43 ave 43 max 43 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 43
+Ave neighs/atom = 4.3
+Ave special neighs/atom = 3.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.4 b/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.4
new file mode 100644
index 0000000000..78712bf913
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA/duplex1/log.27Nov18.duplex1.g++.4
@@ -0,0 +1,172 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 1
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex1
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  10 atoms
+  reading velocities ...
+  10 velocities
+  10 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  8 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  2 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+set atom * mass 3.1575
+  10 settings made for mass
+
+group all type 1 4
+10 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna/fene
+bond_coeff * 2.0 0.25 0.7525
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
+pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
+
+# NVE ensemble
+fix 1 all nve/dot
+#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.92828
+  ghost atom cutoff = 1.92828
+  binsize = 0.964142, bins = 42 42 42
+  5 neighbor lists, perpetual/occasional/extra = 5 0 0
+  (1) pair oxdna/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.341 | 7.523 | 7.705 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.4711818 0.0069384985   -1.4642433 -6.2745089e-05 
+1000  ekin = 0.00113448721737009 |  erot = 0.0041345594773427 | epot = -14.6477022915193 | etot = -14.6424332448246
+2000  ekin = 0.00449927223902292 |  erot = 0.0164446434455803 | epot = -14.6633771605337 | etot = -14.6424332448491
+3000  ekin = 0.00997964450840756 |  erot = 0.0366523356056465 | epot = -14.6890652250033 | etot = -14.6424332448892
+4000  ekin = 0.017388811129498 |  erot = 0.0643039804300254 | epot = -14.7241260365031 | etot = -14.6424332449436
+5000  ekin = 0.0264744514136422 |  erot = 0.098784403314214 | epot = -14.7676920997383 | etot = -14.6424332450104
+6000  ekin = 0.0369277948555727 |  erot = 0.139336571052581 | epot = -14.8186976109956 | etot = -14.6424332450875
+7000  ekin = 0.0483950557190949 |  erot = 0.185086295692111 | epot = -14.8759145965832 | etot = -14.642433245172
+8000  ekin = 0.0604909336919856 |  erot = 0.235071307523583 | epot = -14.9379954864767 | etot = -14.6424332452611
+9000  ekin = 0.0728137406439517 |  erot = 0.288273694501617 | epot = -15.003520680497 | etot = -14.6424332453514
+10000  ekin = 0.0849615563084573 |  erot = 0.34365436929359 | epot = -15.0710491710418 | etot = -14.6424332454398
+   10000 0.0062934486   -1.5138305 0.0067255788   -1.4986088 -0.00010196899 
+Loop time of 0.134536 on 4 procs for 10000 steps with 10 atoms
+
+Performance: 64220.659 tau/day, 74329.466 timesteps/s
+97.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0030077  | 0.052212   | 0.093066   |  17.4 | 38.81
+Bond    | 0.00061846 | 0.00234    | 0.0039451  |   2.8 |  1.74
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.013431   | 0.014091   | 0.014596   |   0.4 | 10.47
+Output  | 5.0783e-05 | 5.1141e-05 | 5.1498e-05 |   0.0 |  0.04
+Modify  | 0.0011578  | 0.0059478  | 0.010331   |   4.8 |  4.42
+Other   |            | 0.05989    |            |       | 44.52
+
+Nlocal:    2.5 ave 5 max 0 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Nghost:    7.5 ave 10 max 5 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Neighs:    17.5 ave 33 max 0 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+
+Total # of neighbors = 70
+Ave neighs/atom = 7
+Ave special neighs/atom = 3.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2 b/examples/USER/cgdna/examples/oxDNA/duplex2/in.duplex2
similarity index 99%
rename from examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2
rename to examples/USER/cgdna/examples/oxDNA/duplex2/in.duplex2
index dd14c3ae11..a5a09af9f4 100644
--- a/examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2
+++ b/examples/USER/cgdna/examples/oxDNA/duplex2/in.duplex2
@@ -72,6 +72,6 @@ fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${e
 #dump_modify out sort id
 #dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
 
-run 1000000
+run 10000
 
 #write_restart config.${number}.*
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1 b/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
deleted file mode 100644
index f59e6bd016..0000000000
--- a/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
+++ /dev/null
@@ -1,1161 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 2
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex2
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  16 atoms
-  reading velocities ...
-  16 velocities
-  16 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  13 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  4 = max # of 1-4 neighbors
-  6 = max # of special neighbors
-
-set atom * mass 3.1575
-  16 settings made for mass
-
-group all type 1 4
-16 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna/fene
-bond_coeff * 2.0 0.25 0.7525
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
-pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
-
-# NVE ensemble
-#fix 1 all nve/dot
-fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.92828
-  ghost atom cutoff = 1.92828
-  binsize = 0.964142, bins = 42 42 42
-  5 neighbor lists, perpetual/occasional/extra = 5 0 0
-  (1) pair oxdna/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 2.861 | 2.861 | 2.861 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.5402493 0.0070469125   -1.5332024 -8.5641987e-05 
-1000  ekin = 1.54234964773389 |  erot = 1.71563526070267 | epot = -24.5477045187653 | etot = -21.2897196103287
-2000  ekin = 1.85988866919215 |  erot = 1.9424302796508 | epot = -24.4843044999595 | etot = -20.6819855511165
-3000  ekin = 2.68354339452998 |  erot = 2.14216528317607 | epot = -24.4019350693561 | etot = -19.57622639165
-4000  ekin = 2.04461800191989 |  erot = 1.49015219763161 | epot = -24.2959428773347 | etot = -20.7611726777832
-5000  ekin = 1.76794859210155 |  erot = 2.54289684465819 | epot = -24.2337587736863 | etot = -19.9229133369266
-6000  ekin = 3.1106424806079 |  erot = 2.04409805200893 | epot = -24.1585729744133 | etot = -19.0038324417964
-7000  ekin = 3.21360097519306 |  erot = 2.71941303605722 | epot = -24.0566262531609 | etot = -18.1236122419107
-8000  ekin = 2.82489935901743 |  erot = 2.66790555575695 | epot = -24.0194805097633 | etot = -18.526675594989
-9000  ekin = 2.69381302856378 |  erot = 2.59107820129446 | epot = -23.9216126050554 | etot = -18.6367213751972
-10000  ekin = 2.65765007662471 |  erot = 1.95562671446597 | epot = -23.7978334881241 | etot = -19.1845566970334
-11000  ekin = 2.33860420545645 |  erot = 2.067780391377 | epot = -23.6589739475584 | etot = -19.2525893507249
-12000  ekin = 2.71377849618258 |  erot = 2.08757199120023 | epot = -23.5483571834756 | etot = -18.7470066960928
-13000  ekin = 2.62930153930326 |  erot = 2.36926332727578 | epot = -23.4509629615768 | etot = -18.4523980949977
-14000  ekin = 3.08200416316113 |  erot = 2.52340746291244 | epot = -23.3378147651053 | etot = -17.7324031390317
-15000  ekin = 2.98008664779269 |  erot = 1.871644860882 | epot = -23.1940665570191 | etot = -18.3423350483444
-16000  ekin = 2.18422481774796 |  erot = 2.13029325858584 | epot = -23.0709946755646 | etot = -18.7564765992308
-17000  ekin = 1.86029951221073 |  erot = 2.30856215831156 | epot = -22.9148241979648 | etot = -18.7459625274425
-18000  ekin = 2.26757205264074 |  erot = 1.23282183419698 | epot = -22.7667657090377 | etot = -19.2663718222
-19000  ekin = 2.39717301992408 |  erot = 2.43814713185077 | epot = -22.6249045514987 | etot = -17.7895843997239
-20000  ekin = 2.4972090427325 |  erot = 2.14695469209109 | epot = -22.4687873897505 | etot = -17.824623654927
-21000  ekin = 2.97591775854817 |  erot = 2.40996811711195 | epot = -22.580475447988 | etot = -17.1945895723278
-22000  ekin = 3.04727168578733 |  erot = 1.83825256427932 | epot = -22.6695853833015 | etot = -17.7840611332348
-23000  ekin = 2.64835731773193 |  erot = 2.22162785501705 | epot = -22.6565689169972 | etot = -17.7865837442483
-24000  ekin = 2.64866576787001 |  erot = 2.80157082833922 | epot = -22.6222797420052 | etot = -17.172043145796
-25000  ekin = 2.29527970143855 |  erot = 2.22049811939069 | epot = -22.6228421013006 | etot = -18.1070642804714
-26000  ekin = 1.6242512251805 |  erot = 2.52390475262917 | epot = -22.6746055892862 | etot = -18.5264496114765
-27000  ekin = 1.74746467550781 |  erot = 3.7138606202505 | epot = -22.7150312690973 | etot = -17.253705973339
-28000  ekin = 2.26500128280479 |  erot = 2.34791343563183 | epot = -22.7926648585827 | etot = -18.179750140146
-29000  ekin = 2.04774074424512 |  erot = 1.86347261547111 | epot = -22.8081204933408 | etot = -18.8969071336246
-30000  ekin = 2.41140146125466 |  erot = 1.86296915421469 | epot = -22.7764612164305 | etot = -18.5020906009612
-31000  ekin = 2.76447800297261 |  erot = 2.7393253404681 | epot = -22.7808698156252 | etot = -17.2770664721845
-32000  ekin = 2.08103539953574 |  erot = 2.81216171106146 | epot = -22.8081908465747 | etot = -17.9149937359775
-33000  ekin = 2.08672340074227 |  erot = 3.65510023442519 | epot = -22.7575363468642 | etot = -17.0157127116967
-34000  ekin = 2.34180742039869 |  erot = 3.10027175201874 | epot = -22.6657421559553 | etot = -17.2236629835378
-35000  ekin = 2.32430602395272 |  erot = 2.01607522370048 | epot = -22.5813705492547 | etot = -18.2409893016015
-36000  ekin = 1.91917507775106 |  erot = 1.97289747304336 | epot = -22.481118994336 | etot = -18.5890464435416
-37000  ekin = 1.57560528527468 |  erot = 2.63029511887642 | epot = -22.4456699464305 | etot = -18.2397695422794
-38000  ekin = 2.20652731867584 |  erot = 2.89671984141264 | epot = -22.3965902387972 | etot = -17.2933430787087
-39000  ekin = 2.54765822667968 |  erot = 2.47352619735437 | epot = -22.3525131983352 | etot = -17.3313287743012
-40000  ekin = 2.24172560748699 |  erot = 1.87314319107769 | epot = -22.3791956830638 | etot = -18.2643268844991
-41000  ekin = 2.45176361826215 |  erot = 2.49992612251747 | epot = -22.4441192111887 | etot = -17.492429470409
-42000  ekin = 2.68254780786499 |  erot = 2.04382131696989 | epot = -22.4352265851614 | etot = -17.7088574603266
-43000  ekin = 2.39383336858508 |  erot = 1.66587291396325 | epot = -22.4337243898148 | etot = -18.3740181072664
-44000  ekin = 2.30758870966958 |  erot = 2.39381816537748 | epot = -22.4636201484766 | etot = -17.7622132734295
-45000  ekin = 1.84308929771583 |  erot = 2.25880380151546 | epot = -22.5697712917435 | etot = -18.4678781925122
-46000  ekin = 1.98608215049724 |  erot = 3.02136983211363 | epot = -22.5606085774834 | etot = -17.5531565948725
-47000  ekin = 1.31457586857024 |  erot = 1.99780932836913 | epot = -22.5522289127255 | etot = -19.2398437157862
-48000  ekin = 2.59855199680394 |  erot = 1.90772345027383 | epot = -22.5972680906756 | etot = -18.0909926435978
-49000  ekin = 2.32140483916261 |  erot = 2.72932938830521 | epot = -22.6070371995253 | etot = -17.5563029720575
-50000  ekin = 2.48248035385828 |  erot = 3.42713570109107 | epot = -22.5294064222472 | etot = -16.6197903672979
-51000  ekin = 2.73677705777971 |  erot = 1.43285265191038 | epot = -22.4272695862992 | etot = -18.2576398766091
-52000  ekin = 3.03746109762767 |  erot = 1.97878223690383 | epot = -22.4105817052324 | etot = -17.3943383707009
-53000  ekin = 2.4689045601064 |  erot = 4.26434186327668 | epot = -22.4059567857723 | etot = -15.6727103623892
-54000  ekin = 2.48025904071626 |  erot = 2.36957879662632 | epot = -22.4049729842648 | etot = -17.5551351469222
-55000  ekin = 2.28269445417385 |  erot = 1.92149293107792 | epot = -22.4643082993723 | etot = -18.2601209141205
-56000  ekin = 2.36225428889468 |  erot = 2.21818002425493 | epot = -22.5516502452859 | etot = -17.9712159321363
-57000  ekin = 2.5222034650231 |  erot = 2.87044520913643 | epot = -22.6517599833465 | etot = -17.259111309187
-58000  ekin = 2.50677816066749 |  erot = 2.80087142998998 | epot = -22.7046490897181 | etot = -17.3969994990606
-59000  ekin = 2.7442153349817 |  erot = 2.17375311266844 | epot = -22.7630968852437 | etot = -17.8451284375935
-60000  ekin = 3.28881699963202 |  erot = 1.98491245229834 | epot = -22.7493813857704 | etot = -17.47565193384
-61000  ekin = 2.42749732003947 |  erot = 1.80500042748845 | epot = -22.6954080097403 | etot = -18.4629102622124
-62000  ekin = 2.82051548232979 |  erot = 1.69220614985812 | epot = -22.5840860651657 | etot = -18.0713644329778
-63000  ekin = 3.66818847100113 |  erot = 1.91510536540651 | epot = -22.4235299160084 | etot = -16.8402360796008
-64000  ekin = 3.60192162647095 |  erot = 3.02302140162941 | epot = -22.4028966408394 | etot = -15.777953612739
-65000  ekin = 3.37797300912952 |  erot = 3.90646944425564 | epot = -22.3508227873685 | etot = -15.0663803339833
-66000  ekin = 2.90796062513305 |  erot = 2.46538835419998 | epot = -22.2656130116827 | etot = -16.8922640323497
-67000  ekin = 2.57641483706472 |  erot = 2.1063925708314 | epot = -22.1586423836372 | etot = -17.4758349757411
-68000  ekin = 2.5516902727465 |  erot = 2.46870040285813 | epot = -22.1454741588102 | etot = -17.1250834832056
-69000  ekin = 2.42897294997603 |  erot = 2.86774435615082 | epot = -22.1788582092806 | etot = -16.8821409031537
-70000  ekin = 3.08406596014674 |  erot = 2.51171720098584 | epot = -22.2680651617951 | etot = -16.6722820006626
-71000  ekin = 2.55052721315253 |  erot = 2.49486492124423 | epot = -22.3940848075589 | etot = -17.3486926731621
-72000  ekin = 1.77666138705941 |  erot = 2.52301579845699 | epot = -22.4956655989824 | etot = -18.195988413466
-73000  ekin = 1.86857924146303 |  erot = 2.33110810852355 | epot = -22.5401005215029 | etot = -18.3404131715163
-74000  ekin = 3.14875320805144 |  erot = 2.12002807961601 | epot = -22.5354282257998 | etot = -17.2666469381323
-75000  ekin = 2.60566180511119 |  erot = 2.16421143606062 | epot = -22.5109742574449 | etot = -17.7411010162731
-76000  ekin = 1.94500512300058 |  erot = 1.94681992806367 | epot = -22.5134561384461 | etot = -18.6216310873819
-77000  ekin = 2.09005510206219 |  erot = 2.13354294429721 | epot = -22.5157248384152 | etot = -18.2921267920558
-78000  ekin = 2.48381695181472 |  erot = 2.49598603867482 | epot = -22.449809286019 | etot = -17.4700062955295
-79000  ekin = 3.09582217320064 |  erot = 2.46630074007712 | epot = -22.3464652405845 | etot = -16.7843423273068
-80000  ekin = 2.51380629427529 |  erot = 1.89207626467031 | epot = -22.2775752521275 | etot = -17.8716926931819
-81000  ekin = 2.32322780911516 |  erot = 2.24954513249787 | epot = -22.2655235360186 | etot = -17.6927505944055
-82000  ekin = 1.54779729878415 |  erot = 2.01487148845307 | epot = -22.2126473128098 | etot = -18.6499785255726
-83000  ekin = 2.24267653112482 |  erot = 3.34721522119025 | epot = -22.2063282117648 | etot = -16.6164364594498
-84000  ekin = 2.86948852339533 |  erot = 2.11915315181827 | epot = -22.2055386975617 | etot = -17.2168970223481
-85000  ekin = 3.13802387827786 |  erot = 2.93900498543376 | epot = -22.2240733080824 | etot = -16.1470444443708
-86000  ekin = 3.46160079449538 |  erot = 2.80798287444336 | epot = -22.2732645073155 | etot = -16.0036808383767
-87000  ekin = 3.63139446909085 |  erot = 2.3166794204513 | epot = -22.2567856660101 | etot = -16.308711776468
-88000  ekin = 3.15348314879937 |  erot = 2.2785763709033 | epot = -22.2154422326699 | etot = -16.7833827129672
-89000  ekin = 3.30271147105659 |  erot = 1.80791256125564 | epot = -22.1564153597823 | etot = -17.04579132747
-90000  ekin = 2.42655906518194 |  erot = 2.24507038389518 | epot = -21.9481188512569 | etot = -17.2764894021798
-91000  ekin = 1.89051217909395 |  erot = 2.51049066719493 | epot = -21.7877769537306 | etot = -17.3867741074417
-92000  ekin = 2.07833668466679 |  erot = 2.218324246302 | epot = -21.6997103074282 | etot = -17.4030493764594
-93000  ekin = 1.94321435585196 |  erot = 2.99473985773914 | epot = -21.6748650469777 | etot = -16.7369108333866
-94000  ekin = 2.07878576812463 |  erot = 3.37631892101902 | epot = -21.7659932416399 | etot = -16.3108885524963
-95000  ekin = 2.10517721407769 |  erot = 2.08345895044788 | epot = -21.8951718799354 | etot = -17.7065357154098
-96000  ekin = 2.68821593238919 |  erot = 1.86988637992409 | epot = -21.9622848400866 | etot = -17.4041825277733
-97000  ekin = 1.95061152706206 |  erot = 2.81054215683073 | epot = -22.0229813258884 | etot = -17.2618276419957
-98000  ekin = 1.98463063611221 |  erot = 2.05732763357977 | epot = -22.0930102039112 | etot = -18.0510519342192
-99000  ekin = 2.51292852217217 |  erot = 3.54194472638845 | epot = -22.199088757298 | etot = -16.1442155087374
-100000  ekin = 1.8757570387949 |  erot = 2.3690785580876 | epot = -22.348409587438 | etot = -18.1035739905555
-101000  ekin = 1.66160772204006 |  erot = 3.59766032223856 | epot = -22.3604908173889 | etot = -17.1012227731103
-102000  ekin = 1.62075182718474 |  erot = 3.3442006848817 | epot = -22.3063629504087 | etot = -17.3414104383422
-103000  ekin = 2.00871148652538 |  erot = 2.33677124900284 | epot = -22.275557852692 | etot = -17.9300751171637
-104000  ekin = 2.04513709976292 |  erot = 2.74664593650967 | epot = -22.2818713634637 | etot = -17.4900883271911
-105000  ekin = 1.87027868596139 |  erot = 1.98922389218239 | epot = -22.223503909299 | etot = -18.3640013311552
-106000  ekin = 1.71540784443942 |  erot = 1.9177953110688 | epot = -22.2562839843324 | etot = -18.6230808288242
-107000  ekin = 2.61024905591622 |  erot = 1.57446439985464 | epot = -22.3171357124015 | etot = -18.1324222566306
-108000  ekin = 2.13751756724178 |  erot = 2.18822458113098 | epot = -22.2268794585969 | etot = -17.9011373102241
-109000  ekin = 2.24408198608307 |  erot = 2.11438299352724 | epot = -22.076564108576 | etot = -17.7180991289657
-110000  ekin = 1.66706562020821 |  erot = 2.50986066169373 | epot = -22.0833343008135 | etot = -17.9064080189116
-111000  ekin = 2.30463895640872 |  erot = 2.24982560856989 | epot = -22.0940837732696 | etot = -17.539619208291
-112000  ekin = 2.63019524472749 |  erot = 2.43696110420532 | epot = -22.0953344558745 | etot = -17.0281781069417
-113000  ekin = 2.42282638113981 |  erot = 3.06190927482913 | epot = -22.1061661458173 | etot = -16.6214304898484
-114000  ekin = 2.34214572325658 |  erot = 2.31899235523686 | epot = -22.0941430549288 | etot = -17.4330049764353
-115000  ekin = 1.70336449422736 |  erot = 3.10166879044198 | epot = -22.1252095896431 | etot = -17.3201763049738
-116000  ekin = 1.51705870113214 |  erot = 2.21425252709695 | epot = -22.1823772627204 | etot = -18.4510660344913
-117000  ekin = 1.70129809180508 |  erot = 2.34142425076372 | epot = -22.2067668262467 | etot = -18.1640444836779
-118000  ekin = 2.20482827236051 |  erot = 2.3179714809504 | epot = -22.1855414590757 | etot = -17.6627417057647
-119000  ekin = 2.54272629601484 |  erot = 2.46528921750297 | epot = -22.2113175246519 | etot = -17.2033020111341
-120000  ekin = 1.76640390552554 |  erot = 2.16116304616032 | epot = -22.1536331723646 | etot = -18.2260662206787
-121000  ekin = 2.81281157959688 |  erot = 2.31761005518346 | epot = -22.1492969323239 | etot = -17.0188752975435
-122000  ekin = 3.25156823587966 |  erot = 3.31679050874322 | epot = -22.2050361016166 | etot = -15.6366773569938
-123000  ekin = 2.87462309654081 |  erot = 3.25604816714397 | epot = -22.1785374359393 | etot = -16.0478661722546
-124000  ekin = 2.18213410260632 |  erot = 2.77182209342785 | epot = -22.0161464482698 | etot = -17.0621902522356
-125000  ekin = 1.85317252616068 |  erot = 1.36623599567638 | epot = -21.8721650279344 | etot = -18.6527565060973
-126000  ekin = 2.47747071965844 |  erot = 3.09909384826334 | epot = -21.8840309142636 | etot = -16.3074663463419
-127000  ekin = 2.42177426273027 |  erot = 2.35209644429656 | epot = -21.8861939604609 | etot = -17.1123232534341
-128000  ekin = 2.76000040231245 |  erot = 1.8231678837239 | epot = -21.8538456680958 | etot = -17.2706773820595
-129000  ekin = 2.78355536315491 |  erot = 2.88851981621501 | epot = -21.9251039267855 | etot = -16.2530287474156
-130000  ekin = 3.26834278926799 |  erot = 2.56228354573336 | epot = -22.0546105678549 | etot = -16.2239842328536
-131000  ekin = 2.64714688907849 |  erot = 2.51107513446137 | epot = -22.0961160192681 | etot = -16.9378939957282
-132000  ekin = 2.61847248883524 |  erot = 3.38899164334156 | epot = -22.1218916777659 | etot = -16.1144275455891
-133000  ekin = 2.03408861514006 |  erot = 2.87401070790187 | epot = -22.0785989417621 | etot = -17.1704996187202
-134000  ekin = 1.64140897264888 |  erot = 1.66986416585675 | epot = -22.0323643102285 | etot = -18.7210911717228
-135000  ekin = 2.46650096367446 |  erot = 2.111120611107 | epot = -21.9976572593399 | etot = -17.4200356845585
-136000  ekin = 2.32880805911731 |  erot = 3.05940125193231 | epot = -21.8983392007847 | etot = -16.5101298897351
-137000  ekin = 2.7601019905106 |  erot = 2.47443779429795 | epot = -21.752125264204 | etot = -16.5175854793954
-138000  ekin = 3.30162084678948 |  erot = 1.73084735415554 | epot = -21.7423849642075 | etot = -16.7099167632625
-139000  ekin = 2.76669064053124 |  erot = 1.72642745910431 | epot = -21.8898577306654 | etot = -17.3967396310298
-140000  ekin = 2.73595287215366 |  erot = 2.46891829250481 | epot = -21.9884857831833 | etot = -16.7836146185249
-141000  ekin = 2.79316289615844 |  erot = 2.46753088695597 | epot = -22.0064855648443 | etot = -16.7457917817299
-142000  ekin = 3.51694745558129 |  erot = 3.49862438784827 | epot = -21.9623193335451 | etot = -14.9467474901156
-143000  ekin = 2.58689934548697 |  erot = 2.04008576044027 | epot = -21.9563338194557 | etot = -17.3293487135285
-144000  ekin = 3.72611917000993 |  erot = 3.04855733322793 | epot = -21.9536376487796 | etot = -15.1789611455417
-145000  ekin = 3.61191106831147 |  erot = 2.71915407989904 | epot = -21.870542665333 | etot = -15.5394775171225
-146000  ekin = 3.85060594912677 |  erot = 2.47210219931339 | epot = -21.8285858153921 | etot = -15.505877666952
-147000  ekin = 3.26481933196161 |  erot = 2.06864347299802 | epot = -21.6752809049183 | etot = -16.3418180999587
-148000  ekin = 2.47977997895053 |  erot = 1.65169267241014 | epot = -21.4172781734276 | etot = -17.2858055220669
-149000  ekin = 2.70771685463074 |  erot = 2.28028425953227 | epot = -21.2324293178539 | etot = -16.2444282036909
-150000  ekin = 2.60726181496431 |  erot = 2.88955230103659 | epot = -21.126549406853 | etot = -15.6297352908521
-151000  ekin = 2.06865005733849 |  erot = 2.13537039813292 | epot = -21.0304193709383 | etot = -16.8263989154669
-152000  ekin = 2.41210154812787 |  erot = 2.60104053370075 | epot = -20.8967777045302 | etot = -15.8836356227016
-153000  ekin = 2.12406231442824 |  erot = 2.25444655142795 | epot = -20.9199278716094 | etot = -16.5414190057532
-154000  ekin = 2.34622678455546 |  erot = 2.58439374093403 | epot = -21.0040588663533 | etot = -16.0734383408638
-155000  ekin = 2.08240965570452 |  erot = 3.02621505767145 | epot = -21.0204738431416 | etot = -15.9118491297656
-156000  ekin = 2.04576145796301 |  erot = 3.17151405834467 | epot = -20.8558463949479 | etot = -15.6385708786402
-157000  ekin = 2.36459548410747 |  erot = 1.89207417055424 | epot = -20.8025485082277 | etot = -16.545878853566
-158000  ekin = 2.16996178916575 |  erot = 2.46547727482113 | epot = -20.8673070433024 | etot = -16.2318679793155
-159000  ekin = 2.86272730849306 |  erot = 2.27590841865057 | epot = -20.9710387207245 | etot = -15.8324029935809
-160000  ekin = 2.19288173853782 |  erot = 2.36312829884111 | epot = -21.0403123366075 | etot = -16.4843022992286
-161000  ekin = 2.14059248149909 |  erot = 2.4287283799048 | epot = -21.1333683100403 | etot = -16.5640474486365
-162000  ekin = 1.76077466564934 |  erot = 2.66561836368342 | epot = -21.1782130850259 | etot = -16.7518200556931
-163000  ekin = 2.23068698955417 |  erot = 2.02664945757243 | epot = -21.3281780197228 | etot = -17.0708415725963
-164000  ekin = 2.75358320318999 |  erot = 1.43717365990088 | epot = -21.4675480212853 | etot = -17.2767911581945
-165000  ekin = 2.65171600986478 |  erot = 2.29632253260765 | epot = -21.493178025826 | etot = -16.5451394833536
-166000  ekin = 3.27298673277591 |  erot = 2.41252396730596 | epot = -21.4477711984927 | etot = -15.7622604984108
-167000  ekin = 3.02574105268454 |  erot = 2.02770436019795 | epot = -21.5236773217566 | etot = -16.4702319088741
-168000  ekin = 3.14659813654158 |  erot = 1.8374607941321 | epot = -21.5547269116736 | etot = -16.5706679809999
-169000  ekin = 2.22493755697302 |  erot = 2.67175500860652 | epot = -21.4662206077311 | etot = -16.5695280421515
-170000  ekin = 2.41921977325643 |  erot = 2.49142716001801 | epot = -21.3123035293873 | etot = -16.4016565961128
-171000  ekin = 1.89798915040775 |  erot = 2.39492100285877 | epot = -21.2153991969519 | etot = -16.9224890436853
-172000  ekin = 2.86894215563086 |  erot = 3.22914449693158 | epot = -21.1827352206441 | etot = -15.0846485680816
-173000  ekin = 2.74888252418688 |  erot = 2.13556434483052 | epot = -21.2166792789418 | etot = -16.3322324099244
-174000  ekin = 2.45887587066864 |  erot = 2.23682521338056 | epot = -21.2633056658561 | etot = -16.5676045818069
-175000  ekin = 2.84703517745999 |  erot = 2.39381254916381 | epot = -21.2430876358358 | etot = -16.002239909212
-176000  ekin = 2.14025231000119 |  erot = 1.89894722702466 | epot = -21.3238321496633 | etot = -17.2846326126375
-177000  ekin = 2.5795061901144 |  erot = 2.75365074391219 | epot = -21.3022195274207 | etot = -15.9690625933941
-178000  ekin = 1.83122028490793 |  erot = 2.59468068841507 | epot = -21.2483113201278 | etot = -16.8224103468048
-179000  ekin = 2.50706581632049 |  erot = 2.3918046623687 | epot = -21.3152464598324 | etot = -16.4163759811432
-180000  ekin = 1.88211034410738 |  erot = 2.47063835849692 | epot = -21.4741119346399 | etot = -17.1213632320356
-181000  ekin = 1.74209654097779 |  erot = 3.05723824722444 | epot = -21.4808621715442 | etot = -16.681527383342
-182000  ekin = 1.55789914013104 |  erot = 2.05767448814763 | epot = -21.423526482018 | etot = -17.8079528537394
-183000  ekin = 2.00937540548925 |  erot = 2.80898978674436 | epot = -21.491360735728 | etot = -16.6729955434944
-184000  ekin = 2.69285960778353 |  erot = 2.42969439668747 | epot = -21.6024209898208 | etot = -16.4798669853498
-185000  ekin = 3.01326925127938 |  erot = 3.19083239326424 | epot = -21.6730258967931 | etot = -15.4689242522495
-186000  ekin = 3.2083067153638 |  erot = 2.42899016869201 | epot = -21.7143665695974 | etot = -16.0770696855416
-187000  ekin = 2.672906100919 |  erot = 3.41560404715603 | epot = -21.6726605039613 | etot = -15.5841503558862
-188000  ekin = 2.89349337388582 |  erot = 3.06258669113775 | epot = -21.6216664732832 | etot = -15.6655864082597
-189000  ekin = 2.65435973176118 |  erot = 1.82043381700644 | epot = -21.5604872976485 | etot = -17.0856937488809
-190000  ekin = 2.21855159698309 |  erot = 1.84826944038784 | epot = -21.5263477340278 | etot = -17.4595266966569
-191000  ekin = 2.26980616064111 |  erot = 2.05944589507645 | epot = -21.4543005141097 | etot = -17.1250484583921
-192000  ekin = 2.27219103053707 |  erot = 3.11210788791052 | epot = -21.4899273087562 | etot = -16.1056283903086
-193000  ekin = 1.95008147026928 |  erot = 1.89648921534019 | epot = -21.4843079374128 | etot = -17.6377372518033
-194000  ekin = 2.45477671526091 |  erot = 2.0272304242676 | epot = -21.3709228769337 | etot = -16.8889157374052
-195000  ekin = 3.09567411006595 |  erot = 2.10081767143638 | epot = -21.3012041149762 | etot = -16.1047123334739
-196000  ekin = 2.67423122149492 |  erot = 2.50738189755519 | epot = -21.2164124023053 | etot = -16.0347992832552
-197000  ekin = 2.50338730962556 |  erot = 2.07349764616723 | epot = -21.041867486922 | etot = -16.4649825311292
-198000  ekin = 2.66945928982616 |  erot = 1.79012921820209 | epot = -21.0169215356766 | etot = -16.5573330276483
-199000  ekin = 2.53947964790256 |  erot = 2.33176467953655 | epot = -21.0171165577067 | etot = -16.1458722302676
-200000  ekin = 2.90451062704866 |  erot = 1.42170066957004 | epot = -21.0113804229743 | etot = -16.6851691263556
-201000  ekin = 2.68927776239674 |  erot = 1.56650335894554 | epot = -21.0245916399581 | etot = -16.7688105186158
-202000  ekin = 2.2601329351618 |  erot = 2.25401443373177 | epot = -20.9769308007641 | etot = -16.4627834318706
-203000  ekin = 2.12073487355488 |  erot = 2.03553028991747 | epot = -20.919035946492 | etot = -16.7627707830197
-204000  ekin = 2.11829086582788 |  erot = 1.89731962488617 | epot = -20.9376264283538 | etot = -16.9220159376397
-205000  ekin = 1.30964171332167 |  erot = 2.12770406224885 | epot = -20.9991335630718 | etot = -17.5617877875013
-206000  ekin = 1.39940057572522 |  erot = 2.24496791209126 | epot = -20.963919219062 | etot = -17.3195507312455
-207000  ekin = 1.8871608804017 |  erot = 1.79849326266382 | epot = -21.0552898160204 | etot = -17.3696356729549
-208000  ekin = 1.81558541079753 |  erot = 3.24210836817276 | epot = -21.3060144768834 | etot = -16.2483206979131
-209000  ekin = 2.79588064252181 |  erot = 2.3467149173832 | epot = -21.4301997554495 | etot = -16.2876041955445
-210000  ekin = 3.17544887511567 |  erot = 3.12704516116654 | epot = -21.5100449360932 | etot = -15.2075508998109
-211000  ekin = 2.47442327377226 |  erot = 2.0990867711376 | epot = -21.6455723047062 | etot = -17.0720622597963
-212000  ekin = 2.36672302145397 |  erot = 1.93445871446419 | epot = -21.7283038297487 | etot = -17.4271220938306
-213000  ekin = 1.91045426241161 |  erot = 2.52535628540462 | epot = -21.8158508544504 | etot = -17.3800403066341
-214000  ekin = 1.99794025866061 |  erot = 2.49896939492127 | epot = -21.8606548137084 | etot = -17.3637451601266
-215000  ekin = 1.97741561009525 |  erot = 3.17667494473254 | epot = -21.8701701582032 | etot = -16.7160796033754
-216000  ekin = 1.88829990821377 |  erot = 1.87402623825167 | epot = -21.8343889393413 | etot = -18.0720627928759
-217000  ekin = 2.10000293878932 |  erot = 1.95052404495887 | epot = -21.8965404786646 | etot = -17.8460134949164
-218000  ekin = 2.34753598782339 |  erot = 1.69695019504401 | epot = -21.8560027679962 | etot = -17.8115165851288
-219000  ekin = 2.497223564463 |  erot = 2.20999914485705 | epot = -21.8797649478059 | etot = -17.1725422384859
-220000  ekin = 1.75274593087921 |  erot = 3.03992746556406 | epot = -21.8491595252171 | etot = -17.0564861287739
-221000  ekin = 1.78874686645809 |  erot = 2.79359542964647 | epot = -21.869798634642 | etot = -17.2874563385375
-222000  ekin = 2.63608430516661 |  erot = 2.86817933637385 | epot = -21.8351218383832 | etot = -16.3308581968427
-223000  ekin = 3.02706758581511 |  erot = 1.93888641555348 | epot = -21.8582453001765 | etot = -16.8922912988079
-224000  ekin = 2.71704451339112 |  erot = 2.42079327531441 | epot = -21.8188420875657 | etot = -16.6810042988601
-225000  ekin = 2.04245190508395 |  erot = 3.38216222891907 | epot = -21.8232190868647 | etot = -16.3986049528616
-226000  ekin = 2.37968015829255 |  erot = 2.38384696857065 | epot = -21.8913549487127 | etot = -17.1278278218495
-227000  ekin = 2.73883397024414 |  erot = 2.62491632372019 | epot = -21.9496900700867 | etot = -16.5859397761223
-228000  ekin = 2.06833362780412 |  erot = 2.25049628751225 | epot = -21.9946760345141 | etot = -17.6758461191977
-229000  ekin = 1.78618617304217 |  erot = 1.80509591500329 | epot = -22.0671964085329 | etot = -18.4759143204874
-230000  ekin = 2.76967283780387 |  erot = 2.22492545317995 | epot = -22.0913590121729 | etot = -17.0967607211891
-231000  ekin = 3.15653922952316 |  erot = 2.77099247609325 | epot = -22.0635255129442 | etot = -16.1359938073278
-232000  ekin = 1.86633326635991 |  erot = 1.70672288688982 | epot = -22.0959715052869 | etot = -18.5229153520371
-233000  ekin = 1.75856846080021 |  erot = 1.55694263125625 | epot = -22.0729289884755 | etot = -18.7574178964191
-234000  ekin = 2.32322575892498 |  erot = 2.05793864740336 | epot = -21.9849429433607 | etot = -17.6037785370324
-235000  ekin = 1.95327191686568 |  erot = 2.52519338885861 | epot = -21.9357201856672 | etot = -17.4572548799429
-236000  ekin = 2.25952484966859 |  erot = 1.90005304846995 | epot = -21.9422471368741 | etot = -17.7826692387355
-237000  ekin = 2.49082301609303 |  erot = 2.65327564887437 | epot = -22.0049130762794 | etot = -16.860814411312
-238000  ekin = 2.21076048871751 |  erot = 2.74154862479023 | epot = -22.0553236426831 | etot = -17.1030145291754
-239000  ekin = 2.71464884454142 |  erot = 2.48739530580561 | epot = -22.0661894571024 | etot = -16.8641453067554
-240000  ekin = 3.08961933821573 |  erot = 2.17857064931927 | epot = -21.9596599475175 | etot = -16.6914699599825
-241000  ekin = 3.04172562407922 |  erot = 2.64442433974962 | epot = -21.872950064824 | etot = -16.1868001009951
-242000  ekin = 2.21355627539455 |  erot = 2.33429157450905 | epot = -21.7850463200938 | etot = -17.2371984701902
-243000  ekin = 1.52065138183895 |  erot = 2.81375224845254 | epot = -21.724672004357 | etot = -17.3902683740655
-244000  ekin = 1.90352576583831 |  erot = 2.43821138840079 | epot = -21.6320468184555 | etot = -17.2903096642164
-245000  ekin = 1.96342069667742 |  erot = 2.61760141174562 | epot = -21.509789944958 | etot = -16.928767836535
-246000  ekin = 2.05478829283868 |  erot = 2.42643933263093 | epot = -21.4781109635143 | etot = -16.9968833380447
-247000  ekin = 1.54618395739204 |  erot = 2.28537401295509 | epot = -21.4411828355572 | etot = -17.6096248652101
-248000  ekin = 1.83924983769609 |  erot = 2.55904554412921 | epot = -21.4587985205918 | etot = -17.0605031387665
-249000  ekin = 1.78703007063825 |  erot = 2.03411349475431 | epot = -21.516607560139 | etot = -17.6954639947464
-250000  ekin = 1.69317901626952 |  erot = 3.382620023581 | epot = -21.5380480709889 | etot = -16.4622490311384
-251000  ekin = 2.13799462687096 |  erot = 3.25868442484789 | epot = -21.5254595658408 | etot = -16.1287805141219
-252000  ekin = 2.04357045453396 |  erot = 2.53079336098227 | epot = -21.5456931883614 | etot = -16.9713293728452
-253000  ekin = 1.63287738205387 |  erot = 3.20992823373492 | epot = -21.5622010587548 | etot = -16.719395442966
-254000  ekin = 2.31269246359595 |  erot = 3.10766702207071 | epot = -21.5505863172024 | etot = -16.1302268315358
-255000  ekin = 2.50767926641465 |  erot = 2.76631276495167 | epot = -21.5288449153183 | etot = -16.254852883952
-256000  ekin = 1.97163698305487 |  erot = 2.61682132599931 | epot = -21.5273539828767 | etot = -16.9388956738225
-257000  ekin = 2.21091422886157 |  erot = 3.2624387389365 | epot = -21.5385504601779 | etot = -16.0651974923798
-258000  ekin = 2.0351730783025 |  erot = 1.84693461512361 | epot = -21.6544556001779 | etot = -17.7723479067518
-259000  ekin = 2.85718947138204 |  erot = 2.78701165242275 | epot = -21.7587237542941 | etot = -16.1145226304893
-260000  ekin = 2.90387286634678 |  erot = 2.18817434737477 | epot = -21.8080383126913 | etot = -16.7159910989698
-261000  ekin = 2.76190440948559 |  erot = 2.33968169215532 | epot = -21.8592909726424 | etot = -16.7577048710015
-262000  ekin = 3.50919242681178 |  erot = 1.76925994550144 | epot = -21.8779228441577 | etot = -16.5994704718445
-263000  ekin = 3.07696270254058 |  erot = 2.41477320555763 | epot = -21.8078566004281 | etot = -16.3161206923299
-264000  ekin = 2.26633389925754 |  erot = 2.04161743361595 | epot = -21.8372928128571 | etot = -17.5293414799836
-265000  ekin = 1.95747124461577 |  erot = 2.5081300879884 | epot = -21.8490876266416 | etot = -17.3834862940375
-266000  ekin = 2.34517905801099 |  erot = 3.31486209922478 | epot = -21.8287737874741 | etot = -16.1687326302383
-267000  ekin = 1.74030193361906 |  erot = 2.23366459528059 | epot = -21.699850097441 | etot = -17.7258835685413
-268000  ekin = 2.04858677018814 |  erot = 3.28744422098426 | epot = -21.6459408923623 | etot = -16.3099099011899
-269000  ekin = 1.93146929709294 |  erot = 2.79280735598121 | epot = -21.549773802712 | etot = -16.8254971496378
-270000  ekin = 2.19788894271016 |  erot = 2.64563279687103 | epot = -21.4165389672397 | etot = -16.5730172276585
-271000  ekin = 2.21923220579694 |  erot = 3.10768708967444 | epot = -21.2197121954353 | etot = -15.8927928999639
-272000  ekin = 2.54992061853163 |  erot = 2.29721880581853 | epot = -21.0816515756819 | etot = -16.2345121513317
-273000  ekin = 1.914618407838 |  erot = 2.01420401968473 | epot = -21.0503637141725 | etot = -17.1215412866498
-274000  ekin = 1.89671513770876 |  erot = 2.24334386161735 | epot = -21.0967103438301 | etot = -16.9566513445039
-275000  ekin = 1.78930707116537 |  erot = 3.09754687865994 | epot = -21.1385700371941 | etot = -16.2517160873688
-276000  ekin = 3.37110328153971 |  erot = 2.41957324257529 | epot = -21.0908388312033 | etot = -15.3001623070883
-277000  ekin = 2.38921825148496 |  erot = 1.50604988822737 | epot = -21.034620883997 | etot = -17.1393527442847
-278000  ekin = 2.51997301930638 |  erot = 2.14026171776896 | epot = -21.0117379332914 | etot = -16.351503196216
-279000  ekin = 1.88315206280857 |  erot = 2.37342905263994 | epot = -20.9993757709145 | etot = -16.742794655466
-280000  ekin = 2.33534713190787 |  erot = 3.58626468287222 | epot = -20.8573252930133 | etot = -14.9357134782332
-281000  ekin = 1.75252641954511 |  erot = 1.7907930540809 | epot = -20.9036528826792 | etot = -17.3603334090531
-282000  ekin = 2.26373977259215 |  erot = 3.04032073608633 | epot = -20.8497513702237 | etot = -15.5456908615452
-283000  ekin = 2.1783387139443 |  erot = 2.20833158301333 | epot = -20.8002776734785 | etot = -16.4136073765209
-284000  ekin = 1.9148667268656 |  erot = 2.21521993135969 | epot = -20.8277491648056 | etot = -16.6976625065804
-285000  ekin = 3.15634443167765 |  erot = 1.80033231604849 | epot = -21.0046435881196 | etot = -16.0479668403934
-286000  ekin = 3.84877574957331 |  erot = 1.82969969667577 | epot = -21.1628555811447 | etot = -15.4843801348956
-287000  ekin = 3.60615742824732 |  erot = 2.91608688151215 | epot = -21.2126952882302 | etot = -14.6904509784708
-288000  ekin = 3.19613259393802 |  erot = 1.67736393077137 | epot = -21.1713552834963 | etot = -16.297858758787
-289000  ekin = 2.45584885114799 |  erot = 2.77781979747336 | epot = -21.1669115721543 | etot = -15.9332429235329
-290000  ekin = 2.74570408981357 |  erot = 2.40443247852242 | epot = -21.1874427766533 | etot = -16.0373062083173
-291000  ekin = 2.10295274468233 |  erot = 2.37092484671539 | epot = -21.2419107014544 | etot = -16.7680331100567
-292000  ekin = 2.36118713930732 |  erot = 2.05558127949017 | epot = -21.3137361602548 | etot = -16.8969677414573
-293000  ekin = 2.2786196308825 |  erot = 2.35874555054765 | epot = -21.4302415460533 | etot = -16.7928763646231
-294000  ekin = 2.93315982813019 |  erot = 2.90313008187785 | epot = -21.5210917917479 | etot = -15.6848018817399
-295000  ekin = 2.66360761710434 |  erot = 2.28100565751945 | epot = -21.6885021477336 | etot = -16.7438888731098
-296000  ekin = 2.18767827164471 |  erot = 2.90589885547353 | epot = -21.7355037190159 | etot = -16.6419265918977
-297000  ekin = 2.15987738107365 |  erot = 3.29819575592636 | epot = -21.7177655658756 | etot = -16.2596924288756
-298000  ekin = 2.92956976611296 |  erot = 2.36377210613469 | epot = -21.6748271071566 | etot = -16.3814852349089
-299000  ekin = 3.19167138064488 |  erot = 2.23480811780853 | epot = -21.8042612344918 | etot = -16.3777817360384
-300000  ekin = 3.3133572846982 |  erot = 1.38932157247169 | epot = -21.8799906137235 | etot = -17.1773117565536
-301000  ekin = 2.39061971962408 |  erot = 3.30110260608963 | epot = -21.8919200817915 | etot = -16.2001977560778
-302000  ekin = 2.954460706029 |  erot = 3.2304815881765 | epot = -21.8557645140423 | etot = -15.6708222198368
-303000  ekin = 2.44700205353933 |  erot = 2.60676303242282 | epot = -21.8414046718167 | etot = -16.7876395858546
-304000  ekin = 2.23578509140697 |  erot = 2.68770420047938 | epot = -21.7680601199659 | etot = -16.8445708280796
-305000  ekin = 2.35505207220215 |  erot = 2.3823003115585 | epot = -21.7344089784493 | etot = -16.9970565946887
-306000  ekin = 1.91790567526689 |  erot = 2.90107494003232 | epot = -21.7170004822351 | etot = -16.8980198669359
-307000  ekin = 2.48241777758708 |  erot = 2.0836708009946 | epot = -21.6510481218459 | etot = -17.0849595432642
-308000  ekin = 2.77531620706104 |  erot = 2.63103510715158 | epot = -21.6349123878086 | etot = -16.2285610735959
-309000  ekin = 2.30440955942791 |  erot = 2.1249829765834 | epot = -21.5927938975113 | etot = -17.1634013615
-310000  ekin = 2.50879527040005 |  erot = 3.21338829421535 | epot = -21.6043932917725 | etot = -15.8822097271571
-311000  ekin = 2.31939145866558 |  erot = 3.03649241514151 | epot = -21.6247503351754 | etot = -16.2688664613683
-312000  ekin = 1.78383134659847 |  erot = 3.26262247889992 | epot = -21.4948144284683 | etot = -16.4483606029699
-313000  ekin = 1.6465994694839 |  erot = 2.08133087588833 | epot = -21.4920309735611 | etot = -17.7641006281889
-314000  ekin = 2.2552391830868 |  erot = 2.55077633299239 | epot = -21.5103692936944 | etot = -16.7043537776152
-315000  ekin = 2.5352734391515 |  erot = 2.13089997124613 | epot = -21.5923709217299 | etot = -16.9261975113323
-316000  ekin = 1.99944427781285 |  erot = 1.80072924409704 | epot = -21.6039893771529 | etot = -17.803815855243
-317000  ekin = 2.11848744585804 |  erot = 2.01459693810075 | epot = -21.5948976630665 | etot = -17.4618132791077
-318000  ekin = 2.29013024301854 |  erot = 1.92405818620914 | epot = -21.5643695946921 | etot = -17.3501811654644
-319000  ekin = 1.97314693278018 |  erot = 1.67996578959134 | epot = -21.4554808400841 | etot = -17.8023681177126
-320000  ekin = 2.45681719546631 |  erot = 3.07835144499744 | epot = -21.3924125538101 | etot = -15.8572439133463
-321000  ekin = 1.85729238455498 |  erot = 2.67083565671245 | epot = -21.433818829251 | etot = -16.9056907879836
-322000  ekin = 1.96132292396412 |  erot = 3.36792274118279 | epot = -21.3663490830085 | etot = -16.0371034178616
-323000  ekin = 1.94437285233567 |  erot = 2.09558156605687 | epot = -21.4151250968679 | etot = -17.3751706784754
-324000  ekin = 2.229181524904 |  erot = 2.4674418745061 | epot = -21.532385908563 | etot = -16.8357625091529
-325000  ekin = 2.74582842770392 |  erot = 2.36717454305098 | epot = -21.6443544237971 | etot = -16.5313514530422
-326000  ekin = 1.91124551133375 |  erot = 1.93084217743114 | epot = -21.7077957426602 | etot = -17.8657080538953
-327000  ekin = 3.05627483509655 |  erot = 1.67325209460963 | epot = -21.7948818019128 | etot = -17.0653548722066
-328000  ekin = 2.73933273476856 |  erot = 1.92380912803777 | epot = -21.8364014823586 | etot = -17.1732596195523
-329000  ekin = 2.95907896099514 |  erot = 3.15654168356681 | epot = -21.898199971646 | etot = -15.7825793270841
-330000  ekin = 2.90795110595274 |  erot = 2.01765890034968 | epot = -21.9037795505258 | etot = -16.9781695442234
-331000  ekin = 2.27446048340228 |  erot = 2.03754878634056 | epot = -21.8760842049291 | etot = -17.5640749351863
-332000  ekin = 2.43262938612094 |  erot = 3.19219171897213 | epot = -21.9305186945662 | etot = -16.3056975894732
-333000  ekin = 2.47357651298171 |  erot = 2.70061045814697 | epot = -22.0416691323271 | etot = -16.8674821611985
-334000  ekin = 2.38171387374892 |  erot = 3.00424927873366 | epot = -22.0746318522988 | etot = -16.6886686998162
-335000  ekin = 2.10465470910016 |  erot = 3.57382014016833 | epot = -22.1175420615632 | etot = -16.4390672122947
-336000  ekin = 2.61374577374183 |  erot = 2.13386927281299 | epot = -22.08988251196 | etot = -17.3422674654052
-337000  ekin = 2.72124526751511 |  erot = 2.74800480481403 | epot = -22.0768537131621 | etot = -16.607603640833
-338000  ekin = 1.83524121485421 |  erot = 2.24338894827196 | epot = -22.1591955034455 | etot = -18.0805653403194
-339000  ekin = 1.54928432997334 |  erot = 2.49812246084905 | epot = -22.202239883467 | etot = -18.1548330926446
-340000  ekin = 1.44405714940632 |  erot = 4.0451327092417 | epot = -22.1149458734013 | etot = -16.6257560147533
-341000  ekin = 1.67447392575555 |  erot = 2.77749751745982 | epot = -22.0760831546714 | etot = -17.624111711456
-342000  ekin = 1.9825676117275 |  erot = 2.71655566521084 | epot = -22.1563522566984 | etot = -17.45722897976
-343000  ekin = 2.68213676683887 |  erot = 3.16686462846914 | epot = -22.2498477633288 | etot = -16.4008463680208
-344000  ekin = 1.77905771753907 |  erot = 2.19153667254074 | epot = -22.2907212723871 | etot = -18.3201268823073
-345000  ekin = 1.5460499615042 |  erot = 1.85960255696712 | epot = -22.3447003428977 | etot = -18.9390478244264
-346000  ekin = 1.71554664484034 |  erot = 1.79880968736714 | epot = -22.3117022609055 | etot = -18.797345928698
-347000  ekin = 1.38672912049481 |  erot = 2.61484473767931 | epot = -22.332503239512 | etot = -18.3309293813379
-348000  ekin = 2.15015924850684 |  erot = 2.86300326453563 | epot = -22.3337312775957 | etot = -17.3205687645532
-349000  ekin = 1.83066085453602 |  erot = 1.9844132649487 | epot = -22.3967822584585 | etot = -18.5817081389738
-350000  ekin = 1.83318738252649 |  erot = 2.56907029661254 | epot = -22.4577827539416 | etot = -18.0555250748026
-351000  ekin = 1.72790505260219 |  erot = 2.87456274671834 | epot = -22.5159555107051 | etot = -17.9134877113846
-352000  ekin = 2.80786740016944 |  erot = 2.08750448125769 | epot = -22.6549834386892 | etot = -17.7596115572621
-353000  ekin = 3.5492801472091 |  erot = 1.42584537334883 | epot = -22.6849212734238 | etot = -17.7097957528659
-354000  ekin = 3.49129244374804 |  erot = 2.25156548638802 | epot = -22.604182620693 | etot = -16.861324690557
-355000  ekin = 2.06248783371663 |  erot = 2.92733565233054 | epot = -22.5494488364627 | etot = -17.5596253504155
-356000  ekin = 2.13415426306312 |  erot = 3.32668319049641 | epot = -22.6122425286523 | etot = -17.1514050750927
-357000  ekin = 2.75897049849731 |  erot = 2.51843165594436 | epot = -22.6042888591885 | etot = -17.3268867047468
-358000  ekin = 2.51778220496547 |  erot = 2.28374144764325 | epot = -22.5654155469984 | etot = -17.7638918943897
-359000  ekin = 3.2037278512604 |  erot = 2.5552016027623 | epot = -22.6749569097326 | etot = -16.91602745571
-360000  ekin = 2.52669169359923 |  erot = 1.97563796824025 | epot = -22.7314557612254 | etot = -18.229126099386
-361000  ekin = 2.60424632123629 |  erot = 2.51068088850826 | epot = -22.7715023743751 | etot = -17.6565751646306
-362000  ekin = 2.43350156723209 |  erot = 3.84566788758402 | epot = -22.7352151098034 | etot = -16.4560456549873
-363000  ekin = 2.91069717970492 |  erot = 1.99710098714122 | epot = -22.6302259934474 | etot = -17.7224278266013
-364000  ekin = 2.2553832868325 |  erot = 1.87832387363455 | epot = -22.5083625296191 | etot = -18.374655369152
-365000  ekin = 2.04575884197224 |  erot = 2.797742068412 | epot = -22.332262738426 | etot = -17.4887618280417
-366000  ekin = 2.26894187965217 |  erot = 1.94379382552235 | epot = -22.2788727984906 | etot = -18.0661370933161
-367000  ekin = 2.82509630766737 |  erot = 2.50361468767084 | epot = -22.3209381619452 | etot = -16.992227166607
-368000  ekin = 2.81542036602322 |  erot = 2.18733627644489 | epot = -22.4297259451244 | etot = -17.4269693026563
-369000  ekin = 2.30426035796382 |  erot = 2.85653411706989 | epot = -22.4923286665588 | etot = -17.3315341915251
-370000  ekin = 2.67871033327547 |  erot = 2.11464921695177 | epot = -22.578069860797 | etot = -17.7847103105697
-371000  ekin = 2.19281044135007 |  erot = 3.60165960664287 | epot = -22.6424730832337 | etot = -16.8480030352407
-372000  ekin = 1.77481259468411 |  erot = 3.406547444381 | epot = -22.7147683829008 | etot = -17.5334083438357
-373000  ekin = 2.15551547517191 |  erot = 2.7877825236183 | epot = -22.7559497214321 | etot = -17.8126517226419
-374000  ekin = 2.71938368055486 |  erot = 3.58127823243842 | epot = -22.9084433694729 | etot = -16.6077814564796
-375000  ekin = 2.42759321485976 |  erot = 2.9742127178716 | epot = -22.9740378563778 | etot = -17.5722319236464
-376000  ekin = 3.39126830110572 |  erot = 3.24733797625004 | epot = -22.9874015798135 | etot = -16.3487953024578
-377000  ekin = 3.20966733323472 |  erot = 2.65934060364476 | epot = -22.9452111216365 | etot = -17.076203184757
-378000  ekin = 1.56095946168131 |  erot = 2.66159033944991 | epot = -22.9575870308253 | etot = -18.7350372296941
-379000  ekin = 1.9498568748538 |  erot = 2.54085216255828 | epot = -22.9834751642939 | etot = -18.4927661268818
-380000  ekin = 2.65820438237073 |  erot = 2.88045867212573 | epot = -22.9984703542083 | etot = -17.4598072997118
-381000  ekin = 2.97084599252829 |  erot = 2.18892549461574 | epot = -23.0341895570111 | etot = -17.8744180698671
-382000  ekin = 2.61355176942653 |  erot = 2.02938704043227 | epot = -23.00841197151 | etot = -18.3654731616512
-383000  ekin = 2.03830671072154 |  erot = 2.50516194855525 | epot = -23.0393965606452 | etot = -18.4959279013684
-384000  ekin = 2.1060608733416 |  erot = 2.2184025045895 | epot = -23.0602182522593 | etot = -18.7357548743282
-385000  ekin = 1.89114918519107 |  erot = 1.63701051320103 | epot = -23.0834434146806 | etot = -19.5552837162885
-386000  ekin = 1.55124380123707 |  erot = 1.36147797265396 | epot = -23.1300518396949 | etot = -20.2173300658039
-387000  ekin = 2.19627825752355 |  erot = 1.75751396098972 | epot = -23.1280875332419 | etot = -19.1742953147287
-388000  ekin = 1.96387084539616 |  erot = 1.95852585326804 | epot = -23.0327752892415 | etot = -19.1103785905773
-389000  ekin = 2.50801560941705 |  erot = 2.32519825784836 | epot = -23.0011464671235 | etot = -18.1679325998581
-390000  ekin = 2.03596866068489 |  erot = 1.88295618907177 | epot = -22.8810338311575 | etot = -18.9621089814009
-391000  ekin = 1.8098591016452 |  erot = 2.39622167162874 | epot = -22.81955664632 | etot = -18.613475873046
-392000  ekin = 2.17725370142733 |  erot = 2.87094426544089 | epot = -22.7839731045438 | etot = -17.7357751376756
-393000  ekin = 2.14224634181997 |  erot = 3.17242974303658 | epot = -22.8435025538357 | etot = -17.5288264689792
-394000  ekin = 1.97769550804367 |  erot = 2.16375300420729 | epot = -22.8342667825711 | etot = -18.6928182703201
-395000  ekin = 2.03687268736298 |  erot = 2.49567469731651 | epot = -22.8892034986303 | etot = -18.3566561139508
-396000  ekin = 2.16189109047463 |  erot = 1.95308746486161 | epot = -22.9781386034885 | etot = -18.8631600481523
-397000  ekin = 2.41744222422408 |  erot = 1.65310699287476 | epot = -23.0900453292844 | etot = -19.0194961121856
-398000  ekin = 3.58905654436294 |  erot = 2.51930256503331 | epot = -23.2070733343384 | etot = -17.0987142249422
-399000  ekin = 2.65051654249497 |  erot = 1.78138450529865 | epot = -23.3040478764215 | etot = -18.8721468286279
-400000  ekin = 2.49402752614129 |  erot = 2.10290777432183 | epot = -23.3608759462318 | etot = -18.7639406457687
-401000  ekin = 2.04176177605462 |  erot = 2.154995213856 | epot = -23.4039603394011 | etot = -19.2072033494905
-402000  ekin = 2.44505875861459 |  erot = 2.11318097973378 | epot = -23.3975262709888 | etot = -18.8392865326404
-403000  ekin = 2.54858079745147 |  erot = 2.81138206601919 | epot = -23.476064698677 | etot = -18.1161018352063
-404000  ekin = 2.21063952462117 |  erot = 2.64710865829565 | epot = -23.574696037266 | etot = -18.7169478543492
-405000  ekin = 2.47328118101332 |  erot = 2.40933750599425 | epot = -23.5927917139469 | etot = -18.7101730269393
-406000  ekin = 2.24891173527799 |  erot = 2.23777884116047 | epot = -23.6086191890417 | etot = -19.1219286126032
-407000  ekin = 2.0107940045037 |  erot = 2.78642832526904 | epot = -23.5246032469978 | etot = -18.727380917225
-408000  ekin = 2.59464051790823 |  erot = 2.59123578102097 | epot = -23.4198302602656 | etot = -18.2339539613364
-409000  ekin = 2.37170880608734 |  erot = 2.26136902851213 | epot = -23.317258193724 | etot = -18.6841803591245
-410000  ekin = 1.99754661347185 |  erot = 1.95523998485755 | epot = -23.2950402043273 | etot = -19.3422536059979
-411000  ekin = 1.8693657058423 |  erot = 2.63899492681176 | epot = -23.2490367633041 | etot = -18.74067613065
-412000  ekin = 1.98214047746227 |  erot = 2.68315820775202 | epot = -23.1987357483281 | etot = -18.5334370631139
-413000  ekin = 2.39078873487373 |  erot = 2.65589562872907 | epot = -23.1435198518627 | etot = -18.0968354882599
-414000  ekin = 2.40821090859775 |  erot = 1.75574324408225 | epot = -23.0725048141377 | etot = -18.9085506614577
-415000  ekin = 2.74601981183015 |  erot = 2.43675176686816 | epot = -23.1211711904486 | etot = -17.9383996117503
-416000  ekin = 2.08828454200993 |  erot = 2.76783506526218 | epot = -23.1383119239965 | etot = -18.2821923167244
-417000  ekin = 2.01455344430628 |  erot = 1.95306265456051 | epot = -23.1433633505287 | etot = -19.1757472516619
-418000  ekin = 2.42716528853985 |  erot = 2.57642821145486 | epot = -23.127531797131 | etot = -18.1239382971363
-419000  ekin = 3.04095103685797 |  erot = 2.58427576972734 | epot = -23.0602279332617 | etot = -17.4350011266764
-420000  ekin = 2.6360746280152 |  erot = 2.44478111019393 | epot = -22.982092315172 | etot = -17.9012365769629
-421000  ekin = 2.53019765722915 |  erot = 1.78389585255477 | epot = -22.9707435541329 | etot = -18.6566500443489
-422000  ekin = 2.72457425772367 |  erot = 1.67768634886349 | epot = -22.9542997027495 | etot = -18.5520390961623
-423000  ekin = 2.11402997037893 |  erot = 2.55034580375608 | epot = -22.8263851956497 | etot = -18.1620094215147
-424000  ekin = 1.8895880210325 |  erot = 2.31332431343561 | epot = -22.772666888172 | etot = -18.5697545537039
-425000  ekin = 2.3595116370971 |  erot = 1.95762380637298 | epot = -22.7752082759346 | etot = -18.4580728324645
-426000  ekin = 2.23706657164627 |  erot = 2.60016134755148 | epot = -22.7844114251539 | etot = -17.9471835059562
-427000  ekin = 1.88801598248841 |  erot = 2.12415782350886 | epot = -22.9416586386639 | etot = -18.9294848326666
-428000  ekin = 1.92849031333042 |  erot = 2.44097902588716 | epot = -23.0611368174399 | etot = -18.6916674782223
-429000  ekin = 1.70536802258415 |  erot = 2.14916257389792 | epot = -23.0556586745393 | etot = -19.2011280780572
-430000  ekin = 2.30226095973205 |  erot = 2.14689932813604 | epot = -23.0606502516208 | etot = -18.6114899637527
-431000  ekin = 2.45988288454318 |  erot = 2.42278380298657 | epot = -23.0729777223881 | etot = -18.1903110348583
-432000  ekin = 2.80869332724974 |  erot = 2.19954129490925 | epot = -23.0939746542044 | etot = -18.0857400320454
-433000  ekin = 2.21130556188282 |  erot = 1.62882156110628 | epot = -23.1534080352157 | etot = -19.3132809122266
-434000  ekin = 2.60574953870752 |  erot = 2.36088790768803 | epot = -23.1901717047879 | etot = -18.2235342583923
-435000  ekin = 2.30377529593091 |  erot = 2.53917715731259 | epot = -23.1716983948432 | etot = -18.3287459415997
-436000  ekin = 2.42707603554825 |  erot = 2.75234181061924 | epot = -23.2197996577197 | etot = -18.0403818115522
-437000  ekin = 1.65090540276074 |  erot = 3.25345231298367 | epot = -23.2216366145388 | etot = -18.3172788987944
-438000  ekin = 1.56145302974407 |  erot = 2.60950810563796 | epot = -23.1303770792279 | etot = -18.9594159438458
-439000  ekin = 2.30955439722234 |  erot = 1.94011743371103 | epot = -23.1353170794497 | etot = -18.8856452485163
-440000  ekin = 2.53037674867674 |  erot = 3.0652704286103 | epot = -23.196858945292 | etot = -17.601211768005
-441000  ekin = 2.80107707952534 |  erot = 2.53664155736544 | epot = -23.1712373428919 | etot = -17.8335187060011
-442000  ekin = 2.92536323090713 |  erot = 2.88384500930016 | epot = -23.1123001627208 | etot = -17.3030919225135
-443000  ekin = 1.96543935969482 |  erot = 1.753449631552 | epot = -23.0380529084378 | etot = -19.3191639171909
-444000  ekin = 2.00309477401363 |  erot = 2.23897509587738 | epot = -22.9472103119533 | etot = -18.7051404420623
-445000  ekin = 2.20302071819722 |  erot = 2.06928381371827 | epot = -22.7775434364172 | etot = -18.5052389045017
-446000  ekin = 2.43487889302299 |  erot = 2.37751556007799 | epot = -22.6838190597697 | etot = -17.8714246066687
-447000  ekin = 2.2620819636031 |  erot = 2.41400188145198 | epot = -22.7082516636546 | etot = -18.0321678185995
-448000  ekin = 2.16184472791984 |  erot = 1.93539407204278 | epot = -22.8144859493263 | etot = -18.7172471493637
-449000  ekin = 2.21107967973114 |  erot = 2.34659682978741 | epot = -22.9059503054159 | etot = -18.3482737958974
-450000  ekin = 2.7467774000444 |  erot = 1.97222921372039 | epot = -22.8607559267161 | etot = -18.1417493129513
-451000  ekin = 2.2050889378155 |  erot = 2.13042736119386 | epot = -22.8862608894796 | etot = -18.5507445904703
-452000  ekin = 2.52760608607095 |  erot = 2.340068156366 | epot = -22.9138111972133 | etot = -18.0461369547764
-453000  ekin = 2.23448825172916 |  erot = 1.77834418215733 | epot = -22.8879238301791 | etot = -18.8750913962927
-454000  ekin = 2.4343851915949 |  erot = 2.59700848533281 | epot = -22.8184361849036 | etot = -17.7870425079759
-455000  ekin = 2.04195793930991 |  erot = 2.7963904374768 | epot = -22.6032980500354 | etot = -17.7649496732487
-456000  ekin = 2.00799933710202 |  erot = 2.53653815407519 | epot = -22.4355596266522 | etot = -17.891022135475
-457000  ekin = 2.60426208759883 |  erot = 2.46609612876191 | epot = -22.3409120082078 | etot = -17.270553791847
-458000  ekin = 2.01368468059038 |  erot = 1.99613816245311 | epot = -22.2549400327206 | etot = -18.2451171896771
-459000  ekin = 1.73688781588865 |  erot = 2.48572034306893 | epot = -22.2282088298767 | etot = -18.0056006709191
-460000  ekin = 1.91682575775988 |  erot = 2.08308677023945 | epot = -22.2211874714416 | etot = -18.2212749434423
-461000  ekin = 1.54933673126938 |  erot = 1.29454502815254 | epot = -22.1945151049368 | etot = -19.3506333455149
-462000  ekin = 2.44160489340629 |  erot = 1.34721473707675 | epot = -22.2846713076971 | etot = -18.495851677214
-463000  ekin = 2.63165365707667 |  erot = 2.0814376012804 | epot = -22.4004513395625 | etot = -17.6873600812054
-464000  ekin = 2.67929276186416 |  erot = 3.7256379306109 | epot = -22.5200042545289 | etot = -16.1150735620538
-465000  ekin = 1.94880111369479 |  erot = 2.23148844819349 | epot = -22.685554296329 | etot = -18.5052647344407
-466000  ekin = 2.13853049638891 |  erot = 2.95056624305957 | epot = -22.7822881705531 | etot = -17.6931914311047
-467000  ekin = 2.46452767169615 |  erot = 2.1077848077008 | epot = -22.9485753844866 | etot = -18.3762629050897
-468000  ekin = 1.98589158006998 |  erot = 1.62816092182055 | epot = -23.0180008829524 | etot = -19.4039483810619
-469000  ekin = 2.498810820967 |  erot = 2.63615462725918 | epot = -23.0547833968841 | etot = -17.9198179486579
-470000  ekin = 2.91491361681313 |  erot = 3.19115611298995 | epot = -23.0448741101699 | etot = -16.9388043803669
-471000  ekin = 2.37554627514204 |  erot = 1.71739792236247 | epot = -22.9932329645513 | etot = -18.9002887670468
-472000  ekin = 2.18486807923518 |  erot = 2.00687069908098 | epot = -22.9563182572702 | etot = -18.764579478954
-473000  ekin = 2.36185345820899 |  erot = 2.86259041401025 | epot = -22.9161024426125 | etot = -17.6916585703933
-474000  ekin = 2.17077693495272 |  erot = 2.59376596740918 | epot = -22.7894018760353 | etot = -18.0248589736733
-475000  ekin = 2.37844153079293 |  erot = 2.01112751381906 | epot = -22.6793191497969 | etot = -18.2897501051849
-476000  ekin = 2.08763676439641 |  erot = 2.59647624455221 | epot = -22.6700039875052 | etot = -17.9858909785566
-477000  ekin = 2.52249432714936 |  erot = 3.55251934739865 | epot = -22.6424099194917 | etot = -16.5673962449437
-478000  ekin = 2.40424947791157 |  erot = 2.73239117258611 | epot = -22.544776325228 | etot = -17.4081356747303
-479000  ekin = 1.27637524434413 |  erot = 2.99749792697945 | epot = -22.4994949498981 | etot = -18.2256217785745
-480000  ekin = 1.81374950293817 |  erot = 2.14389317135941 | epot = -22.4678405170785 | etot = -18.5101978427809
-481000  ekin = 2.394967741862 |  erot = 3.1829944182452 | epot = -22.4930736763178 | etot = -16.9151115162106
-482000  ekin = 3.21051763720184 |  erot = 2.40962326270834 | epot = -22.4479376181304 | etot = -16.8277967182202
-483000  ekin = 3.06081116762377 |  erot = 2.49856996934407 | epot = -22.4288948733282 | etot = -16.8695137363604
-484000  ekin = 2.7452293328759 |  erot = 2.530126299931 | epot = -22.4837563329191 | etot = -17.2084007001122
-485000  ekin = 3.33103095180521 |  erot = 2.42091818181916 | epot = -22.4922555047182 | etot = -16.7403063710938
-486000  ekin = 1.99323479363108 |  erot = 1.76127718142275 | epot = -22.5432098594132 | etot = -18.7886978843593
-487000  ekin = 2.64825718911653 |  erot = 2.50204426232019 | epot = -22.6407366935242 | etot = -17.4904352420874
-488000  ekin = 1.7638589171947 |  erot = 2.642665551735 | epot = -22.6990728058786 | etot = -18.2925483369489
-489000  ekin = 2.10357630534276 |  erot = 2.95613916443127 | epot = -22.7877124402073 | etot = -17.7279969704332
-490000  ekin = 2.33515649128314 |  erot = 2.32995416999057 | epot = -22.7920703811403 | etot = -18.1269597198666
-491000  ekin = 2.48752587426647 |  erot = 2.58310949760555 | epot = -22.7834811495388 | etot = -17.7128457776668
-492000  ekin = 3.29820665204488 |  erot = 2.18682924183923 | epot = -22.7674519489923 | etot = -17.2824160551082
-493000  ekin = 3.40238156707505 |  erot = 2.35717041222451 | epot = -22.7149408840448 | etot = -16.9553889047453
-494000  ekin = 3.59348050162499 |  erot = 2.23182460532058 | epot = -22.7081682295491 | etot = -16.8828631226035
-495000  ekin = 2.52030309238562 |  erot = 2.16229430067424 | epot = -22.6973031832711 | etot = -18.0147057902113
-496000  ekin = 1.96100991422337 |  erot = 3.58581695215168 | epot = -22.7342002900883 | etot = -17.1873734237132
-497000  ekin = 2.2228647925968 |  erot = 2.49495319949133 | epot = -22.752706201593 | etot = -18.0348882095049
-498000  ekin = 1.71033952564695 |  erot = 2.41331591511584 | epot = -22.7131621100868 | etot = -18.589506669324
-499000  ekin = 2.41919864300729 |  erot = 2.82349519531823 | epot = -22.7304918052927 | etot = -17.4877979669671
-500000  ekin = 2.76271068346558 |  erot = 2.22796445937144 | epot = -22.810945568044 | etot = -17.820270425207
-501000  ekin = 2.97642553987186 |  erot = 1.97769778889399 | epot = -22.8306304048616 | etot = -17.8765070760957
-502000  ekin = 2.96175345860855 |  erot = 1.80859086419487 | epot = -22.8525538190094 | etot = -18.082209496206
-503000  ekin = 2.51126831088417 |  erot = 2.88572311841925 | epot = -22.8673362278446 | etot = -17.4703447985412
-504000  ekin = 2.84611165351303 |  erot = 2.67626783872457 | epot = -22.7848919576011 | etot = -17.2625124653635
-505000  ekin = 2.96124584448914 |  erot = 2.59100575301934 | epot = -22.8251284225259 | etot = -17.2728768250174
-506000  ekin = 2.19858217910528 |  erot = 1.97142936872075 | epot = -22.8530995461461 | etot = -18.6830879983201
-507000  ekin = 2.27398115142402 |  erot = 2.68837996151516 | epot = -22.8141163798141 | etot = -17.8517552668749
-508000  ekin = 2.64439339973837 |  erot = 2.0475646786945 | epot = -22.8146247157346 | etot = -18.1226666373017
-509000  ekin = 2.96023637315629 |  erot = 2.90549934754532 | epot = -22.8719625385966 | etot = -17.006226817895
-510000  ekin = 2.26067558634545 |  erot = 2.8086491851952 | epot = -22.9774448292236 | etot = -17.9081200576829
-511000  ekin = 2.88512738978599 |  erot = 2.15263877534436 | epot = -23.086672848248 | etot = -18.0489066831176
-512000  ekin = 2.17783748155516 |  erot = 2.31389139764187 | epot = -23.1520181882638 | etot = -18.6602893090668
-513000  ekin = 1.69717952556151 |  erot = 2.88265468656802 | epot = -23.1640284548406 | etot = -18.5841942427111
-514000  ekin = 1.72432024724117 |  erot = 2.32742209152174 | epot = -23.1602225830814 | etot = -19.1084802443185
-515000  ekin = 2.00525337522086 |  erot = 1.80102864435033 | epot = -23.1548763180746 | etot = -19.3485942985034
-516000  ekin = 3.04706172157038 |  erot = 1.54171785431327 | epot = -23.1202751246552 | etot = -18.5314955487716
-517000  ekin = 2.47323892251936 |  erot = 2.10799615007355 | epot = -23.0942246440307 | etot = -18.5129895714378
-518000  ekin = 2.03556879740597 |  erot = 2.51531294708502 | epot = -23.01998934344 | etot = -18.469107598949
-519000  ekin = 1.59255614728459 |  erot = 1.63520468579905 | epot = -22.9787913166931 | etot = -19.7510304836094
-520000  ekin = 2.17210761761845 |  erot = 1.89753667353918 | epot = -22.9877149955356 | etot = -18.918070704378
-521000  ekin = 1.98466680078867 |  erot = 2.09219045542651 | epot = -23.0348541858322 | etot = -18.9579969296171
-522000  ekin = 2.72098469914433 |  erot = 2.19565658619461 | epot = -23.1001210576502 | etot = -18.1834797723112
-523000  ekin = 2.26033454380754 |  erot = 1.67112114369623 | epot = -23.1475509854345 | etot = -19.2160952979307
-524000  ekin = 2.34603831546138 |  erot = 2.10546610119491 | epot = -23.1746761633772 | etot = -18.723171746721
-525000  ekin = 2.13671314300235 |  erot = 2.07172081705865 | epot = -23.241177743004 | etot = -19.032743782943
-526000  ekin = 2.50849953901566 |  erot = 2.27662230434506 | epot = -23.3179050583979 | etot = -18.5327832150372
-527000  ekin = 3.04322527932213 |  erot = 1.81280570832388 | epot = -23.3977373118239 | etot = -18.5417063241779
-528000  ekin = 2.572303182379 |  erot = 2.54386055260816 | epot = -23.4208428708383 | etot = -18.3046791358511
-529000  ekin = 2.39361269633634 |  erot = 1.91637577362226 | epot = -23.3966015599491 | etot = -19.0866130899905
-530000  ekin = 3.3562937907424 |  erot = 3.4168381587646 | epot = -23.2977853851851 | etot = -16.5246534356781
-531000  ekin = 2.52741741752381 |  erot = 2.34075342407641 | epot = -23.1721175623278 | etot = -18.3039467207276
-532000  ekin = 2.78397051305127 |  erot = 1.78575123294094 | epot = -23.2171711834401 | etot = -18.6474494374478
-533000  ekin = 2.27408274334043 |  erot = 2.01427501035042 | epot = -23.2885684059727 | etot = -19.0002106522818
-534000  ekin = 2.54998010491125 |  erot = 2.01645453645072 | epot = -23.340767920006 | etot = -18.7743332786441
-535000  ekin = 2.49595662250557 |  erot = 2.09586427439366 | epot = -23.3878755759449 | etot = -18.7960546790457
-536000  ekin = 2.47717157546008 |  erot = 1.92116873587363 | epot = -23.3847675210096 | etot = -18.9864272096758
-537000  ekin = 1.75235621440218 |  erot = 2.11852052216091 | epot = -23.4590860280326 | etot = -19.5882092914695
-538000  ekin = 2.19317209186627 |  erot = 2.75191518419657 | epot = -23.5517834707225 | etot = -18.6066961946597
-539000  ekin = 2.16135327665112 |  erot = 2.25935011393787 | epot = -23.5718250119029 | etot = -19.1511216213139
-540000  ekin = 2.35701554620646 |  erot = 1.6449529057333 | epot = -23.5490867129451 | etot = -19.5471182610053
-541000  ekin = 2.61451212811978 |  erot = 2.52550284426681 | epot = -23.5334576350385 | etot = -18.3934426626519
-542000  ekin = 2.78909215024063 |  erot = 2.09346850400965 | epot = -23.5754619290989 | etot = -18.6929012748486
-543000  ekin = 2.77024528778678 |  erot = 1.84116991183092 | epot = -23.4849560716084 | etot = -18.8735408719907
-544000  ekin = 2.15807529188369 |  erot = 1.50139575300257 | epot = -23.4530822422947 | etot = -19.7936111974084
-545000  ekin = 1.72860204886328 |  erot = 2.56468335549414 | epot = -23.4524953434144 | etot = -19.159209939057
-546000  ekin = 2.38494138419347 |  erot = 1.87772638427254 | epot = -23.4950389557032 | etot = -19.2323711872372
-547000  ekin = 2.44871634556834 |  erot = 2.44464466893214 | epot = -23.544915775382 | etot = -18.6515547608815
-548000  ekin = 2.36962922994878 |  erot = 2.40235228488721 | epot = -23.5548428056052 | etot = -18.7828612907692
-549000  ekin = 2.57958168249613 |  erot = 2.04930779813673 | epot = -23.5565149978684 | etot = -18.9276255172355
-550000  ekin = 1.9793136647427 |  erot = 1.85207468704396 | epot = -23.5614067919063 | etot = -19.7300184401196
-551000  ekin = 2.41217743270811 |  erot = 2.03489368862993 | epot = -23.5115216908382 | etot = -19.0644505695002
-552000  ekin = 2.6621149390197 |  erot = 1.41279265378133 | epot = -23.3450678435402 | etot = -19.2701602507392
-553000  ekin = 1.76359346131444 |  erot = 2.63019210822712 | epot = -23.1435570943958 | etot = -18.7497715248543
-554000  ekin = 2.29840754300073 |  erot = 2.34424452982824 | epot = -23.1114395278817 | etot = -18.4687874550528
-555000  ekin = 3.29672420152566 |  erot = 1.64146930698359 | epot = -23.0891292168918 | etot = -18.1509357083826
-556000  ekin = 2.92076699655596 |  erot = 2.59602967895818 | epot = -23.0268314200473 | etot = -17.5100347445331
-557000  ekin = 2.90322014804994 |  erot = 3.16052668894917 | epot = -23.0146480567182 | etot = -16.9509012197191
-558000  ekin = 2.78018761002223 |  erot = 2.59826947006757 | epot = -22.7877399275349 | etot = -17.4092828474451
-559000  ekin = 2.48661596771863 |  erot = 3.22596665511861 | epot = -22.8226574327834 | etot = -17.1100748099462
-560000  ekin = 2.34942852601698 |  erot = 2.32773162877397 | epot = -22.8255608134696 | etot = -18.1484006586787
-561000  ekin = 2.0520192544917 |  erot = 2.90306975046937 | epot = -22.848851605114 | etot = -17.8937626001529
-562000  ekin = 2.18821919117372 |  erot = 3.66499439159819 | epot = -22.7618817506902 | etot = -16.9086681679183
-563000  ekin = 3.11505518852414 |  erot = 2.28057725990562 | epot = -22.7914306402871 | etot = -17.3957981918573
-564000  ekin = 2.45343120006931 |  erot = 2.36321638506708 | epot = -22.75807077839 | etot = -17.9414231932536
-565000  ekin = 2.7783583550222 |  erot = 2.07073547186411 | epot = -22.7486053888412 | etot = -17.8995115619549
-566000  ekin = 2.43655641927934 |  erot = 2.19832280178868 | epot = -22.7227654505167 | etot = -18.0878862294486
-567000  ekin = 2.71233133108495 |  erot = 2.01281091173406 | epot = -22.8839744455115 | etot = -18.1588322026925
-568000  ekin = 3.12450796157709 |  erot = 1.93520150351058 | epot = -22.9625972279254 | etot = -17.9028877628378
-569000  ekin = 3.72714267701978 |  erot = 2.06562452789051 | epot = -22.9814174117752 | etot = -17.188650206865
-570000  ekin = 2.68808623045676 |  erot = 2.36042122391806 | epot = -22.9989590266921 | etot = -17.9504515723173
-571000  ekin = 1.97223467321357 |  erot = 2.85558181274649 | epot = -22.9369001315648 | etot = -18.1090836456048
-572000  ekin = 2.41820497321229 |  erot = 2.40910077907643 | epot = -22.934930836907 | etot = -18.1076250846183
-573000  ekin = 1.76702714285012 |  erot = 2.31739567602695 | epot = -22.9768902017483 | etot = -18.8924673828712
-574000  ekin = 2.0874025921411 |  erot = 2.59288012722137 | epot = -23.0518321557917 | etot = -18.3715494364293
-575000  ekin = 2.34020490338786 |  erot = 2.78500973557003 | epot = -23.106579446946 | etot = -17.9813648079881
-576000  ekin = 2.15506609467458 |  erot = 3.30452875380292 | epot = -23.1521162771299 | etot = -17.6925214286524
-577000  ekin = 2.45698150895878 |  erot = 2.31876672704205 | epot = -23.1781917242716 | etot = -18.4024434882707
-578000  ekin = 2.59353106592521 |  erot = 2.33790294336518 | epot = -23.2101395643707 | etot = -18.2787055550803
-579000  ekin = 2.58102015460711 |  erot = 1.71748063175119 | epot = -23.1865014452815 | etot = -18.8880006589232
-580000  ekin = 2.30361750578347 |  erot = 2.87410564379617 | epot = -23.2045008793077 | etot = -18.0267777297281
-581000  ekin = 2.45915247103344 |  erot = 2.59640238490727 | epot = -23.1882783600354 | etot = -18.1327235040947
-582000  ekin = 2.33801590725494 |  erot = 3.19256035650614 | epot = -23.2501410058056 | etot = -17.7195647420445
-583000  ekin = 1.95982078382855 |  erot = 2.8194405158621 | epot = -23.4085593869414 | etot = -18.6292980872508
-584000  ekin = 2.00358327245437 |  erot = 1.71267270263011 | epot = -23.4960310960901 | etot = -19.7797751210056
-585000  ekin = 2.28859150562676 |  erot = 2.06309046911261 | epot = -23.5306230166998 | etot = -19.1789410419605
-586000  ekin = 2.21858454582016 |  erot = 1.97776854350185 | epot = -23.4873397268817 | etot = -19.2909866375596
-587000  ekin = 3.70065233550663 |  erot = 1.82187748311298 | epot = -23.4652388428899 | etot = -17.9427090242703
-588000  ekin = 3.49447328534893 |  erot = 2.31981981591506 | epot = -23.3985567739262 | etot = -17.5842636726622
-589000  ekin = 2.66144502802388 |  erot = 3.02756546370717 | epot = -23.2783756079917 | etot = -17.5893651162607
-590000  ekin = 1.52141257336428 |  erot = 2.09874614600561 | epot = -23.1290158071881 | etot = -19.5088570878182
-591000  ekin = 1.82897193042273 |  erot = 1.75592223095376 | epot = -23.0622736076074 | etot = -19.4773794462309
-592000  ekin = 2.49491276892191 |  erot = 2.54829881978519 | epot = -23.054885494985 | etot = -18.0116739062779
-593000  ekin = 2.36845716276159 |  erot = 1.78503341410575 | epot = -23.0052643101941 | etot = -18.8517737333267
-594000  ekin = 2.07907010887474 |  erot = 2.14563658430187 | epot = -22.9611396232755 | etot = -18.7364329300989
-595000  ekin = 2.62736231723873 |  erot = 2.0397582574453 | epot = -22.9495489717352 | etot = -18.2824283970512
-596000  ekin = 2.58985967531624 |  erot = 2.12449830164849 | epot = -22.9908505579803 | etot = -18.2764925810155
-597000  ekin = 3.02540042664855 |  erot = 3.14256707367048 | epot = -22.9740991012936 | etot = -16.8061316009746
-598000  ekin = 3.44397104083287 |  erot = 2.86057908398566 | epot = -23.0035411551227 | etot = -16.6989910303042
-599000  ekin = 2.13932500926497 |  erot = 3.49187029024977 | epot = -22.9657391359988 | etot = -17.334543836484
-600000  ekin = 2.19758597945325 |  erot = 2.49610822362375 | epot = -22.9452235009931 | etot = -18.2515292979161
-601000  ekin = 2.80918982916751 |  erot = 2.81768433603376 | epot = -22.8970508934525 | etot = -17.2701767282513
-602000  ekin = 2.30031523379462 |  erot = 2.40907304500535 | epot = -22.8523950981498 | etot = -18.1430068193498
-603000  ekin = 1.9133550139642 |  erot = 1.99518053980754 | epot = -22.7884152302357 | etot = -18.879879676464
-604000  ekin = 2.59767150954919 |  erot = 3.14351403383689 | epot = -22.7430641975849 | etot = -17.0018786541988
-605000  ekin = 2.63203298717972 |  erot = 2.07906613894388 | epot = -22.7307949909782 | etot = -18.0196958648546
-606000  ekin = 2.94678399289781 |  erot = 2.03982213630798 | epot = -22.6555302524726 | etot = -17.6689241232668
-607000  ekin = 2.85272606479019 |  erot = 2.3669346725768 | epot = -22.6318548820143 | etot = -17.4121941446474
-608000  ekin = 3.6642968125636 |  erot = 2.46706737589233 | epot = -22.5724662590778 | etot = -16.4411020706218
-609000  ekin = 2.69343886620625 |  erot = 2.25873504143678 | epot = -22.6007364465804 | etot = -17.6485625389374
-610000  ekin = 2.99904616523658 |  erot = 2.13621966615343 | epot = -22.5973658485054 | etot = -17.4621000171154
-611000  ekin = 3.86832985948943 |  erot = 2.1209664457764 | epot = -22.5702925425382 | etot = -16.5809962372724
-612000  ekin = 2.88515301824618 |  erot = 2.45910554524355 | epot = -22.4848584522585 | etot = -17.1405998887688
-613000  ekin = 2.9367425327116 |  erot = 2.14436169371534 | epot = -22.465526703267 | etot = -17.38442247684
-614000  ekin = 2.79116462876301 |  erot = 2.024409539648 | epot = -22.5207406301148 | etot = -17.7051664617038
-615000  ekin = 2.29338048298908 |  erot = 2.38828872470981 | epot = -22.6082782403584 | etot = -17.9266090326595
-616000  ekin = 1.78195169789474 |  erot = 2.45334803626967 | epot = -22.6887534547644 | etot = -18.4534537206
-617000  ekin = 2.57505808534158 |  erot = 2.55345758187856 | epot = -22.7014638394959 | etot = -17.5729481722758
-618000  ekin = 2.29561379442387 |  erot = 2.68043259355499 | epot = -22.629958627306 | etot = -17.6539122393272
-619000  ekin = 1.94323313590202 |  erot = 2.00964911157701 | epot = -22.5681911047399 | etot = -18.6153088572609
-620000  ekin = 2.92263589097657 |  erot = 2.15657756066214 | epot = -22.6264664894927 | etot = -17.547253037854
-621000  ekin = 2.90437881656455 |  erot = 1.70649555848315 | epot = -22.6654194475729 | etot = -18.0545450725253
-622000  ekin = 2.03426149564846 |  erot = 2.51826459248401 | epot = -22.6086250578043 | etot = -18.0560989696718
-623000  ekin = 1.98348786592097 |  erot = 3.08484972830225 | epot = -22.6234743341759 | etot = -17.5551367399527
-624000  ekin = 2.08463083558978 |  erot = 2.64004606903046 | epot = -22.6266529328942 | etot = -17.901976028274
-625000  ekin = 2.52963490334089 |  erot = 2.37033264022622 | epot = -22.6750436783155 | etot = -17.7750761347484
-626000  ekin = 2.73147680333727 |  erot = 2.07051651598002 | epot = -22.7272383647964 | etot = -17.9252450454791
-627000  ekin = 2.23447399123207 |  erot = 2.35288557052271 | epot = -22.7136740507756 | etot = -18.1263144890208
-628000  ekin = 2.28933754695898 |  erot = 2.29676268895052 | epot = -22.6176528573237 | etot = -18.0315526214142
-629000  ekin = 2.5355466362136 |  erot = 1.9208254303353 | epot = -22.5693331526924 | etot = -18.1129610861435
-630000  ekin = 3.11700824717166 |  erot = 2.51611049765933 | epot = -22.5144695759915 | etot = -16.8813508311605
-631000  ekin = 2.38844807455605 |  erot = 3.31601650504462 | epot = -22.5190998334878 | etot = -16.8146352538871
-632000  ekin = 2.59939587493746 |  erot = 2.51496212358954 | epot = -22.4711049664696 | etot = -17.3567469679426
-633000  ekin = 2.45338619933597 |  erot = 1.89874016257143 | epot = -22.4394257686937 | etot = -18.0872994067863
-634000  ekin = 2.23819111967046 |  erot = 1.98305652730465 | epot = -22.3433365860708 | etot = -18.1220889390957
-635000  ekin = 2.22438000857701 |  erot = 1.95893208021228 | epot = -22.2877959440852 | etot = -18.1044838552959
-636000  ekin = 2.26938644192167 |  erot = 2.77816773779857 | epot = -22.304696935737 | etot = -17.2571427560168
-637000  ekin = 1.97799147515644 |  erot = 2.59610837639354 | epot = -22.3353238115757 | etot = -17.7612239600257
-638000  ekin = 2.54901279963355 |  erot = 3.14232301833368 | epot = -22.3113570318406 | etot = -16.6200212138734
-639000  ekin = 2.38194254982011 |  erot = 2.49468098011846 | epot = -22.2696251856513 | etot = -17.3930016557128
-640000  ekin = 2.07438054408915 |  erot = 2.20336226777045 | epot = -22.1673693230787 | etot = -17.8896265112191
-641000  ekin = 2.49150296422893 |  erot = 3.53882164550032 | epot = -22.0473233874349 | etot = -16.0169987777057
-642000  ekin = 3.37964058409635 |  erot = 2.18458831029804 | epot = -21.9324522713975 | etot = -16.3682233770031
-643000  ekin = 2.80862431007863 |  erot = 2.40815089193717 | epot = -21.8726014240441 | etot = -16.6558262220283
-644000  ekin = 2.952235016065 |  erot = 1.92776262379329 | epot = -21.8260574231829 | etot = -16.9460597833247
-645000  ekin = 4.10488984334312 |  erot = 1.89062109330211 | epot = -21.7981661301139 | etot = -15.8026551934687
-646000  ekin = 2.50234872105284 |  erot = 2.00205075040523 | epot = -21.7221642434957 | etot = -17.2177647720376
-647000  ekin = 2.52267281239589 |  erot = 2.19481558810103 | epot = -21.7438885460027 | etot = -17.0264001455058
-648000  ekin = 2.99344241657583 |  erot = 2.11139263207284 | epot = -21.7373240000025 | etot = -16.6324889513538
-649000  ekin = 2.55027365085817 |  erot = 3.20350991793737 | epot = -21.7192481424448 | etot = -15.9654645736493
-650000  ekin = 3.75163896052814 |  erot = 2.44189212282279 | epot = -21.6756681314986 | etot = -15.4821370481477
-651000  ekin = 3.29740056237165 |  erot = 2.36780448747273 | epot = -21.5372361691657 | etot = -15.8720311193214
-652000  ekin = 2.54645886055823 |  erot = 2.99097829596978 | epot = -21.4549655298412 | etot = -15.9175283733131
-653000  ekin = 2.88682688109756 |  erot = 2.53633970608343 | epot = -21.4696471597398 | etot = -16.0464805725588
-654000  ekin = 2.28614085804932 |  erot = 2.12026601708473 | epot = -21.5642684321318 | etot = -17.1578615569977
-655000  ekin = 2.20709609517086 |  erot = 2.10729950549552 | epot = -21.5349466292622 | etot = -17.2205510285958
-656000  ekin = 2.40310876229412 |  erot = 2.09663823500904 | epot = -21.5631924595208 | etot = -17.0634454622177
-657000  ekin = 2.78865513467509 |  erot = 2.19608839827217 | epot = -21.794507747247 | etot = -16.8097642142997
-658000  ekin = 3.10257138071619 |  erot = 2.59154293692776 | epot = -21.9667559942099 | etot = -16.272641676566
-659000  ekin = 2.88891106020275 |  erot = 3.47010878893494 | epot = -22.0542552611187 | etot = -15.695235411981
-660000  ekin = 2.90074521854052 |  erot = 1.62850743298557 | epot = -22.1003034196589 | etot = -17.5710507681328
-661000  ekin = 3.26666543815737 |  erot = 1.86223225384177 | epot = -22.202664217118 | etot = -17.0737665251188
-662000  ekin = 3.1558491019044 |  erot = 2.16868634291728 | epot = -22.3049478747804 | etot = -16.9804124299587
-663000  ekin = 1.94349853674084 |  erot = 2.45687952722593 | epot = -22.3908978754177 | etot = -17.990519811451
-664000  ekin = 1.45445820960401 |  erot = 1.37641815749116 | epot = -22.5088813854798 | etot = -19.6780050183846
-665000  ekin = 1.57568561901953 |  erot = 2.30379312359824 | epot = -22.5957949572926 | etot = -18.7163162146748
-666000  ekin = 2.46162449261636 |  erot = 1.76978614573264 | epot = -22.7431602236663 | etot = -18.5117495853173
-667000  ekin = 2.82410423268351 |  erot = 2.3383666365949 | epot = -22.9350563238978 | etot = -17.7725854546193
-668000  ekin = 2.73717686116191 |  erot = 3.18779777915034 | epot = -23.0188768131827 | etot = -17.0939021728704
-669000  ekin = 3.41035672635339 |  erot = 2.4547960177761 | epot = -23.0718232403885 | etot = -17.206670496259
-670000  ekin = 2.54649164859505 |  erot = 1.9952097916917 | epot = -23.0246775830826 | etot = -18.4829761427958
-671000  ekin = 2.3802025684166 |  erot = 3.00742736998539 | epot = -23.0023479116088 | etot = -17.6147179732068
-672000  ekin = 3.0126952152146 |  erot = 2.55297219144565 | epot = -22.9947723733501 | etot = -17.4291049666898
-673000  ekin = 3.39486270740071 |  erot = 2.38087002620332 | epot = -22.9033457919094 | etot = -17.1276130583054
-674000  ekin = 3.13698489626098 |  erot = 2.10609113054064 | epot = -22.8089270617647 | etot = -17.565851034963
-675000  ekin = 2.32294130821675 |  erot = 1.52858514820731 | epot = -22.6840603385672 | etot = -18.8325338821432
-676000  ekin = 2.43564726401376 |  erot = 2.26860623636409 | epot = -22.6133446272028 | etot = -17.9090911268249
-677000  ekin = 2.75162757613842 |  erot = 1.94219014743456 | epot = -22.7039380847023 | etot = -18.0101203611293
-678000  ekin = 2.86321973687601 |  erot = 1.66387788364136 | epot = -22.7223510604726 | etot = -18.1952534399552
-679000  ekin = 2.3507920877287 |  erot = 2.70386328048644 | epot = -22.7977445343494 | etot = -17.7430891661343
-680000  ekin = 2.48449675729004 |  erot = 2.90645575582477 | epot = -22.8559375688936 | etot = -17.4649850557788
-681000  ekin = 1.91581136662334 |  erot = 2.58179603882022 | epot = -22.7891325966099 | etot = -18.2915251911664
-682000  ekin = 2.10466427353706 |  erot = 2.69470735868805 | epot = -22.6959043279182 | etot = -17.896532695693
-683000  ekin = 2.34504535409022 |  erot = 2.1159203570079 | epot = -22.5718670441909 | etot = -18.1109013330928
-684000  ekin = 2.87198876498959 |  erot = 2.65732173958705 | epot = -22.4986977268025 | etot = -16.9693872222258
-685000  ekin = 3.03375238110976 |  erot = 2.18190577381517 | epot = -22.4634189289575 | etot = -17.2477607740326
-686000  ekin = 2.46248931777657 |  erot = 2.43025710170918 | epot = -22.4079029677658 | etot = -17.5151565482801
-687000  ekin = 2.74662486817896 |  erot = 1.79609152562409 | epot = -22.3360381567114 | etot = -17.7933217629083
-688000  ekin = 1.81703718003042 |  erot = 2.06511603415634 | epot = -22.3083758541197 | etot = -18.426222639933
-689000  ekin = 2.84202633430563 |  erot = 1.92033962884778 | epot = -22.3752571185822 | etot = -17.6128911554288
-690000  ekin = 2.07525448405017 |  erot = 2.46342632176817 | epot = -22.4633535431152 | etot = -17.9246727372969
-691000  ekin = 2.12558517800138 |  erot = 2.52961097164 | epot = -22.483426266766 | etot = -17.8282301171246
-692000  ekin = 2.86720433292881 |  erot = 2.65102150657025 | epot = -22.4003374064863 | etot = -16.8821115669872
-693000  ekin = 2.30143055084864 |  erot = 2.5229094638336 | epot = -22.2859681228791 | etot = -17.4616281081969
-694000  ekin = 2.88400701080874 |  erot = 2.34320802755438 | epot = -22.2063185842819 | etot = -16.9791035459188
-695000  ekin = 2.93184722112895 |  erot = 2.22933507376833 | epot = -22.2348177906806 | etot = -17.0736354957833
-696000  ekin = 2.63173546326796 |  erot = 2.34275369570834 | epot = -22.274597219839 | etot = -17.3001080608627
-697000  ekin = 1.87084079501972 |  erot = 1.78050094908736 | epot = -22.2730387150935 | etot = -18.6216969709864
-698000  ekin = 2.19791428580687 |  erot = 2.8288358175635 | epot = -22.2819378523404 | etot = -17.2551877489701
-699000  ekin = 2.34279295545267 |  erot = 2.07514436344563 | epot = -22.2061425261575 | etot = -17.7882052072592
-700000  ekin = 2.576803119019 |  erot = 2.32167543064962 | epot = -22.1658685747825 | etot = -17.2673900251139
-701000  ekin = 2.99438658075389 |  erot = 1.89982533986207 | epot = -22.2191193266439 | etot = -17.3249074060279
-702000  ekin = 2.68548464757459 |  erot = 2.65050744453206 | epot = -22.2547415922756 | etot = -16.918749500169
-703000  ekin = 2.01996957402024 |  erot = 2.04032822241736 | epot = -22.3253693056515 | etot = -18.2650715092139
-704000  ekin = 1.58871069317829 |  erot = 1.64014270467761 | epot = -22.3617232281452 | etot = -19.1328698302893
-705000  ekin = 2.3089415754982 |  erot = 1.90252913035993 | epot = -22.4307958564623 | etot = -18.2193251506042
-706000  ekin = 2.61729186445575 |  erot = 3.21879868039103 | epot = -22.5603358780911 | etot = -16.7242453332443
-707000  ekin = 2.60797107906866 |  erot = 2.31455039977394 | epot = -22.7102471053997 | etot = -17.7877256265571
-708000  ekin = 1.81633850341999 |  erot = 2.34822575669419 | epot = -22.841408787855 | etot = -18.6768445277408
-709000  ekin = 1.83541322105378 |  erot = 2.51792380003796 | epot = -23.0137235815795 | etot = -18.6603865604877
-710000  ekin = 2.21420583262459 |  erot = 1.92378721690472 | epot = -23.1433453130908 | etot = -19.0053522635615
-711000  ekin = 2.06744054454462 |  erot = 2.39811709353194 | epot = -23.1532717948854 | etot = -18.6877141568089
-712000  ekin = 2.17279472706345 |  erot = 1.75362175342097 | epot = -23.0479262273955 | etot = -19.121509746911
-713000  ekin = 2.87118830138473 |  erot = 1.54943993787556 | epot = -22.8430575230906 | etot = -18.4224292838303
-714000  ekin = 2.01079466743971 |  erot = 1.87510988392749 | epot = -22.9212969433222 | etot = -19.035392391955
-715000  ekin = 2.49921829589269 |  erot = 1.91934008289237 | epot = -22.9679126658062 | etot = -18.5493542870212
-716000  ekin = 2.94666510633352 |  erot = 2.18714442405523 | epot = -23.0339970974289 | etot = -17.9001875670402
-717000  ekin = 3.07404079722084 |  erot = 2.46628262765134 | epot = -23.1869721551174 | etot = -17.6466487302452
-718000  ekin = 3.47060078371108 |  erot = 2.28206620506098 | epot = -23.2524492340768 | etot = -17.4997822453048
-719000  ekin = 4.08343792096551 |  erot = 3.10429377075216 | epot = -23.2448292181926 | etot = -16.0570975264749
-720000  ekin = 2.52774819763971 |  erot = 1.92867508904585 | epot = -23.1435084559681 | etot = -18.6870851692826
-721000  ekin = 2.58294244811584 |  erot = 2.0383053178033 | epot = -23.0601633758883 | etot = -18.4389156099691
-722000  ekin = 1.94458885450861 |  erot = 2.32008660802526 | epot = -22.9811929404572 | etot = -18.7165174779233
-723000  ekin = 2.4199834057626 |  erot = 2.12369728979368 | epot = -23.0570939793876 | etot = -18.5134132838313
-724000  ekin = 1.90406371300862 |  erot = 1.97533505769877 | epot = -23.1267629042383 | etot = -19.2473641335309
-725000  ekin = 2.14287056473423 |  erot = 2.79289687450021 | epot = -23.1695632046138 | etot = -18.2337957653793
-726000  ekin = 2.26423317099721 |  erot = 2.55343019202652 | epot = -23.2432909083709 | etot = -18.4256275453472
-727000  ekin = 1.69816397656716 |  erot = 2.64011919415554 | epot = -23.2988376893209 | etot = -18.9605545185982
-728000  ekin = 2.23000862561934 |  erot = 3.5852147057867 | epot = -23.3528245832468 | etot = -17.5376012518407
-729000  ekin = 2.70076566380343 |  erot = 1.73367306410751 | epot = -23.3971276122796 | etot = -18.9626888843686
-730000  ekin = 2.54818673802759 |  erot = 2.77394958410254 | epot = -23.3988686964744 | etot = -18.0767323743443
-731000  ekin = 2.69782550956093 |  erot = 2.04855826523075 | epot = -23.4310969813891 | etot = -18.6847132065974
-732000  ekin = 2.79613002753751 |  erot = 1.87867430486714 | epot = -23.4885161441653 | etot = -18.8137118117607
-733000  ekin = 2.20346728125046 |  erot = 2.64365594749976 | epot = -23.5261309431819 | etot = -18.6790077144316
-734000  ekin = 1.69780111261444 |  erot = 2.30917909560789 | epot = -23.5188046470474 | etot = -19.5118244388251
-735000  ekin = 2.18402736165936 |  erot = 2.72051620230872 | epot = -23.4712689506937 | etot = -18.5667253867257
-736000  ekin = 2.26138696009405 |  erot = 1.17083930058802 | epot = -23.4348107178754 | etot = -20.0025844571933
-737000  ekin = 2.22219419044796 |  erot = 3.14114682990359 | epot = -23.3869288757725 | etot = -18.0235878554209
-738000  ekin = 1.75464981631085 |  erot = 2.28485941478059 | epot = -23.2709893028052 | etot = -19.2314800717138
-739000  ekin = 1.41806378584362 |  erot = 2.1671403411282 | epot = -23.2213775300888 | etot = -19.636173403117
-740000  ekin = 1.90901017596351 |  erot = 2.27102763422489 | epot = -23.1829198366046 | etot = -19.0028820264162
-741000  ekin = 1.9930994487751 |  erot = 2.73523269523397 | epot = -23.1169670577823 | etot = -18.3886349137733
-742000  ekin = 1.99876411117685 |  erot = 1.89882876917752 | epot = -23.030082580085 | etot = -19.1324896997307
-743000  ekin = 1.96472814667687 |  erot = 2.79504722629176 | epot = -22.8990488521609 | etot = -18.1392734791923
-744000  ekin = 2.02442646092311 |  erot = 2.35044838626025 | epot = -22.8186526150799 | etot = -18.4437777678966
-745000  ekin = 1.65344231988822 |  erot = 1.87919095141019 | epot = -22.7624827109091 | etot = -19.2298494396107
-746000  ekin = 2.1034668185472 |  erot = 2.03078530569664 | epot = -22.743454277698 | etot = -18.6092021534541
-747000  ekin = 3.06690414848489 |  erot = 1.67540297869492 | epot = -22.7625979159322 | etot = -18.0202907887524
-748000  ekin = 3.06965414483401 |  erot = 1.86014593098646 | epot = -22.8118567150739 | etot = -17.8820566392534
-749000  ekin = 2.53718696167216 |  erot = 2.02710579059033 | epot = -22.8431046011969 | etot = -18.2788118489344
-750000  ekin = 2.756573548081 |  erot = 2.34953156046293 | epot = -22.9548205390759 | etot = -17.8487154305319
-751000  ekin = 2.52290020835147 |  erot = 2.34873763599979 | epot = -23.0238691402084 | etot = -18.1522312958572
-752000  ekin = 2.47222247869325 |  erot = 1.68679846444685 | epot = -22.9958559112491 | etot = -18.836834968109
-753000  ekin = 2.48263277172423 |  erot = 1.54669382815741 | epot = -23.0858212396418 | etot = -19.0564946397602
-754000  ekin = 2.54806257410878 |  erot = 2.26636466676166 | epot = -23.1896472696843 | etot = -18.3752200288138
-755000  ekin = 1.53168409517921 |  erot = 2.22665478278013 | epot = -23.2059118234918 | etot = -19.4475729455324
-756000  ekin = 2.10751715527953 |  erot = 2.40525774326678 | epot = -23.114150245375 | etot = -18.6013753468287
-757000  ekin = 2.93395895491028 |  erot = 2.05821177584912 | epot = -23.0783355599275 | etot = -18.0861648291681
-758000  ekin = 2.38307945406233 |  erot = 2.50598165375059 | epot = -22.9691152621287 | etot = -18.0800541543158
-759000  ekin = 2.60292884338835 |  erot = 2.36916677072546 | epot = -22.7987274767845 | etot = -17.8266318626707
-760000  ekin = 3.2284318196987 |  erot = 2.73822716520639 | epot = -22.6756147646272 | etot = -16.7089557797221
-761000  ekin = 3.41868727786494 |  erot = 1.68975765213406 | epot = -22.5638952547581 | etot = -17.4554503247591
-762000  ekin = 3.43033946346107 |  erot = 2.5283975140253 | epot = -22.3549032489322 | etot = -16.3961662714458
-763000  ekin = 2.65773094814485 |  erot = 1.8397513397556 | epot = -22.234833339183 | etot = -17.7373510512825
-764000  ekin = 2.3815484472129 |  erot = 2.70684992442146 | epot = -22.0890752688231 | etot = -17.0006768971887
-765000  ekin = 2.23212803588897 |  erot = 1.94868597739427 | epot = -21.9918715237933 | etot = -17.81105751051
-766000  ekin = 2.49097891886065 |  erot = 1.96764603993155 | epot = -21.8443436680801 | etot = -17.3857187092879
-767000  ekin = 2.34579214976749 |  erot = 2.64636009163515 | epot = -21.7634962034012 | etot = -16.7713439619986
-768000  ekin = 1.87671147825105 |  erot = 2.05549869178485 | epot = -21.7324638416527 | etot = -17.8002536716168
-769000  ekin = 3.05058687860238 |  erot = 2.66104171022372 | epot = -21.6679219598699 | etot = -15.9562933710438
-770000  ekin = 2.44115683640632 |  erot = 1.9755493247975 | epot = -21.644882066475 | etot = -17.2281759052712
-771000  ekin = 2.23687464004429 |  erot = 2.5504097070879 | epot = -21.5811924169691 | etot = -16.793908069837
-772000  ekin = 2.76529680592008 |  erot = 1.97873499811186 | epot = -21.6543448952384 | etot = -16.9103130912064
-773000  ekin = 2.14632888240094 |  erot = 2.41330587525516 | epot = -21.7728828090227 | etot = -17.2132480513667
-774000  ekin = 2.19848545803079 |  erot = 1.9765131024719 | epot = -21.8398858604883 | etot = -17.6648872999856
-775000  ekin = 2.52300137989083 |  erot = 2.80935365273516 | epot = -22.0219985274259 | etot = -16.6896434947999
-776000  ekin = 3.15842485269273 |  erot = 2.47066157093646 | epot = -22.183029096161 | etot = -16.5539426725318
-777000  ekin = 1.91784338934576 |  erot = 1.76045300517084 | epot = -22.2259652888115 | etot = -18.5476688942949
-778000  ekin = 2.93738066043323 |  erot = 2.2945784249029 | epot = -22.2339481852393 | etot = -17.0019890999032
-779000  ekin = 3.09847206114319 |  erot = 2.0455771700605 | epot = -22.240438366259 | etot = -17.0963891350553
-780000  ekin = 2.86127568397807 |  erot = 3.12055135138657 | epot = -22.1865692766137 | etot = -16.2047422412491
-781000  ekin = 2.36069914420785 |  erot = 3.53186431088488 | epot = -22.1210563364352 | etot = -16.2284928813425
-782000  ekin = 2.31592690319261 |  erot = 2.85730598644035 | epot = -22.0302855151548 | etot = -16.8570526255218
-783000  ekin = 1.86647729944746 |  erot = 3.03450246093096 | epot = -21.8860143679489 | etot = -16.9850346075705
-784000  ekin = 2.04055627573201 |  erot = 2.26047908607292 | epot = -21.7534271639393 | etot = -17.4523918021343
-785000  ekin = 2.02248469828703 |  erot = 2.13950421850547 | epot = -21.6318967501918 | etot = -17.4699078333993
-786000  ekin = 2.34211746551601 |  erot = 2.34838133643264 | epot = -21.5890308210084 | etot = -16.8985320190598
-787000  ekin = 2.74971447554938 |  erot = 2.24123553296042 | epot = -21.5192132515563 | etot = -16.5282632430465
-788000  ekin = 2.14142056672039 |  erot = 2.27008574684963 | epot = -21.4982362621713 | etot = -17.0867299486013
-789000  ekin = 1.98580913341303 |  erot = 2.00702444041792 | epot = -21.5235331659838 | etot = -17.5306995921528
-790000  ekin = 1.68578263083924 |  erot = 1.43485602862152 | epot = -21.64400815936 | etot = -18.5233694998993
-791000  ekin = 2.13583938840528 |  erot = 2.53730095458942 | epot = -21.7916440698418 | etot = -17.1185037268471
-792000  ekin = 1.71937483898028 |  erot = 2.1956380421601 | epot = -21.8794946709408 | etot = -17.9644817898004
-793000  ekin = 3.15868943755338 |  erot = 1.94575875708421 | epot = -22.0398145404618 | etot = -16.9353663458242
-794000  ekin = 2.45478602538953 |  erot = 3.00825554959564 | epot = -22.0843165283013 | etot = -16.6212749533161
-795000  ekin = 2.87760320917193 |  erot = 3.06920266633565 | epot = -22.1595628991904 | etot = -16.2127570236828
-796000  ekin = 2.29816690595058 |  erot = 1.61510864654314 | epot = -22.1869705548184 | etot = -18.2736950023247
-797000  ekin = 2.1901525606721 |  erot = 3.65734446008351 | epot = -22.1432608090644 | etot = -16.2957637883088
-798000  ekin = 2.12018787925578 |  erot = 2.92822258455554 | epot = -22.1311312789224 | etot = -17.0827208151111
-799000  ekin = 2.49416140154829 |  erot = 2.73328283280217 | epot = -22.0825726051882 | etot = -16.8551283708377
-800000  ekin = 2.18932007838552 |  erot = 2.97640731559392 | epot = -21.9793621521909 | etot = -16.8136347582115
-801000  ekin = 2.58827112124839 |  erot = 2.7440442483726 | epot = -21.9108490336924 | etot = -16.5785336640714
-802000  ekin = 3.07870342348167 |  erot = 2.87961505564285 | epot = -21.822560433681 | etot = -15.8642419545565
-803000  ekin = 2.2398624368064 |  erot = 2.50525058807594 | epot = -21.72759408181 | etot = -16.9824810569277
-804000  ekin = 2.91885860068427 |  erot = 1.57889040451429 | epot = -21.6896376725624 | etot = -17.1918886673638
-805000  ekin = 2.68277363980194 |  erot = 3.0552786891574 | epot = -21.6710764398127 | etot = -15.9330241108533
-806000  ekin = 2.77769607049014 |  erot = 2.18887276909081 | epot = -21.6314833902336 | etot = -16.6649145506527
-807000  ekin = 2.12673239079668 |  erot = 2.86003407600807 | epot = -21.7295924017744 | etot = -16.7428259349697
-808000  ekin = 1.89599614774678 |  erot = 2.29237053227661 | epot = -21.7511361510417 | etot = -17.5627694710183
-809000  ekin = 1.96405066221971 |  erot = 1.92110393348367 | epot = -21.7075506883706 | etot = -17.8223960926672
-810000  ekin = 2.01518137594275 |  erot = 2.60119247286596 | epot = -21.6788385874729 | etot = -17.0624647386642
-811000  ekin = 2.31084800889289 |  erot = 1.75270367309064 | epot = -21.6837819033718 | etot = -17.6202302213883
-812000  ekin = 2.57701031002089 |  erot = 2.34932304073588 | epot = -21.7246716033188 | etot = -16.798338252562
-813000  ekin = 2.87706904926076 |  erot = 2.35686610624156 | epot = -21.8375922236049 | etot = -16.6036570681026
-814000  ekin = 2.89908405023865 |  erot = 2.31423299883227 | epot = -21.8379261473901 | etot = -16.6246090983192
-815000  ekin = 2.54050064212256 |  erot = 2.82732568868832 | epot = -21.6068952707049 | etot = -16.239068939894
-816000  ekin = 2.17040404256386 |  erot = 2.53711088209171 | epot = -21.5560322071982 | etot = -16.8485172825427
-817000  ekin = 1.7842696071831 |  erot = 2.67810959410575 | epot = -21.8738878035325 | etot = -17.4115086022436
-818000  ekin = 2.29659398017837 |  erot = 2.63718862373661 | epot = -22.164277271391 | etot = -17.230494667476
-819000  ekin = 2.15801167884061 |  erot = 2.62095572928876 | epot = -22.1816109590115 | etot = -17.4026435508821
-820000  ekin = 1.94384548213955 |  erot = 2.28597987799276 | epot = -22.0986187375021 | etot = -17.8687933773698
-821000  ekin = 2.10513194007576 |  erot = 2.3869817556922 | epot = -22.1146754444784 | etot = -17.6225617487105
-822000  ekin = 2.2481971678644 |  erot = 2.15258805680876 | epot = -22.0539472940485 | etot = -17.6531620693753
-823000  ekin = 2.26584952085582 |  erot = 2.60619852526611 | epot = -22.0924201800579 | etot = -17.2203721339359
-824000  ekin = 1.65187935478514 |  erot = 1.48703119037229 | epot = -22.1682955997985 | etot = -19.0293850546411
-825000  ekin = 1.60213094818649 |  erot = 1.98592524368393 | epot = -22.1687104063708 | etot = -18.5806542145004
-826000  ekin = 1.97430720107255 |  erot = 2.19175014677162 | epot = -22.1061881978654 | etot = -17.9401308500212
-827000  ekin = 2.1793755983405 |  erot = 2.44975419075935 | epot = -21.9704586607304 | etot = -17.3413288716305
-828000  ekin = 1.90399088418587 |  erot = 2.72532994798818 | epot = -21.9585923270582 | etot = -17.3292714948841
-829000  ekin = 2.06478103068884 |  erot = 2.96583035402589 | epot = -21.9849402038681 | etot = -16.9543288191534
-830000  ekin = 1.98920675238979 |  erot = 2.15331250444998 | epot = -22.0339146439702 | etot = -17.8913953871304
-831000  ekin = 2.33567462674689 |  erot = 2.36888807413497 | epot = -22.1271573756461 | etot = -17.4225946747642
-832000  ekin = 2.01194709991921 |  erot = 1.94769143293624 | epot = -22.2038482709588 | etot = -18.2442097381033
-833000  ekin = 2.26025933495882 |  erot = 2.16012558191462 | epot = -22.2882501045414 | etot = -17.867865187668
-834000  ekin = 2.11529426445865 |  erot = 1.52405523315359 | epot = -22.3075608649825 | etot = -18.6682113673703
-835000  ekin = 2.89920750905511 |  erot = 2.7380108175103 | epot = -22.3942491248321 | etot = -16.7570307982667
-836000  ekin = 3.33069528982658 |  erot = 2.42771267807862 | epot = -22.4321737300743 | etot = -16.6737657621691
-837000  ekin = 2.74831774333782 |  erot = 2.31991750378627 | epot = -22.4290234552872 | etot = -17.3607882081631
-838000  ekin = 3.13714871682188 |  erot = 3.21601751721778 | epot = -22.464238390645 | etot = -16.1110721566054
-839000  ekin = 2.73358272751807 |  erot = 2.60144488190506 | epot = -22.4062682687367 | etot = -17.0712406593136
-840000  ekin = 2.96121930874636 |  erot = 1.42725942278117 | epot = -22.3293755621293 | etot = -17.9408968306018
-841000  ekin = 2.95134811170866 |  erot = 2.67666861874609 | epot = -22.2936348151224 | etot = -16.6656180846676
-842000  ekin = 2.15783928636402 |  erot = 2.30287195796691 | epot = -22.2978011147172 | etot = -17.8370898703863
-843000  ekin = 2.84565152669617 |  erot = 2.05108014775139 | epot = -22.3162908719778 | etot = -17.4195591975303
-844000  ekin = 2.99645803669157 |  erot = 1.50433298006521 | epot = -22.3768320579304 | etot = -17.8760410411736
-845000  ekin = 3.20248025697125 |  erot = 2.27246140825564 | epot = -22.3985708422076 | etot = -16.9236291769807
-846000  ekin = 3.35773945734322 |  erot = 2.54074745551552 | epot = -22.4144833015876 | etot = -16.5159963887288
-847000  ekin = 2.17779203733109 |  erot = 2.7381758118846 | epot = -22.3524825149514 | etot = -17.4365146657357
-848000  ekin = 2.51627348417144 |  erot = 2.81170686694718 | epot = -22.2066307862469 | etot = -16.8786504351283
-849000  ekin = 1.99679455190557 |  erot = 2.5685584677309 | epot = -22.0763062134929 | etot = -17.5109531938564
-850000  ekin = 2.05799123916877 |  erot = 1.80888056240785 | epot = -22.0665032506705 | etot = -18.1996314490939
-851000  ekin = 2.08889793767921 |  erot = 1.86172181790291 | epot = -22.0629711763889 | etot = -18.1123514208068
-852000  ekin = 1.68990805178902 |  erot = 1.42763535981882 | epot = -22.002100112701 | etot = -18.8845567010931
-853000  ekin = 1.99310886654811 |  erot = 3.05226969048294 | epot = -22.0306903552277 | etot = -16.9853117981967
-854000  ekin = 2.98378700534986 |  erot = 2.23102745240542 | epot = -22.1115820238811 | etot = -16.8967675661258
-855000  ekin = 2.17087415585277 |  erot = 2.83781472268791 | epot = -22.111510639597 | etot = -17.1028217610564
-856000  ekin = 2.42228475387308 |  erot = 1.53328604594476 | epot = -22.0841888628208 | etot = -18.128618063003
-857000  ekin = 2.50431566526893 |  erot = 2.80498769176513 | epot = -21.9881235267533 | etot = -16.6788201697193
-858000  ekin = 2.17333686672378 |  erot = 2.8259111550717 | epot = -21.9093201368614 | etot = -16.9100721150659
-859000  ekin = 2.29930070497242 |  erot = 2.32417368939059 | epot = -21.8849849636103 | etot = -17.2615105692473
-860000  ekin = 1.99153024057672 |  erot = 1.9467463860015 | epot = -21.8998709373216 | etot = -17.9615943107434
-861000  ekin = 2.69177523559624 |  erot = 2.23997750036371 | epot = -21.8915522194994 | etot = -16.9597994835394
-862000  ekin = 2.86117050047985 |  erot = 2.41530060322761 | epot = -21.876687883023 | etot = -16.6002167793155
-863000  ekin = 2.59841547044276 |  erot = 3.35017050085432 | epot = -21.8162649771436 | etot = -15.8676790058466
-864000  ekin = 2.92496272611018 |  erot = 2.30350236144452 | epot = -21.7820358973268 | etot = -16.5535708097721
-865000  ekin = 1.94718216128952 |  erot = 2.16572180916633 | epot = -21.7000823492195 | etot = -17.5871783787636
-866000  ekin = 1.9900612787169 |  erot = 1.65011901234952 | epot = -21.6190182409267 | etot = -17.9788379498603
-867000  ekin = 1.76250718110787 |  erot = 3.37958608370307 | epot = -21.5401486584561 | etot = -16.3980553936451
-868000  ekin = 1.845623450314 |  erot = 2.78812196028613 | epot = -21.5771917352235 | etot = -16.9434463246233
-869000  ekin = 2.39300849969204 |  erot = 2.38301618173174 | epot = -21.6710790825578 | etot = -16.895054401134
-870000  ekin = 1.91899243212541 |  erot = 3.22222440717391 | epot = -21.6734733803871 | etot = -16.5322565410878
-871000  ekin = 3.10255827845531 |  erot = 2.95454268850897 | epot = -21.5913249106744 | etot = -15.5342239437101
-872000  ekin = 2.94582883077842 |  erot = 1.38261935263093 | epot = -21.4597055547832 | etot = -17.1312573713739
-873000  ekin = 2.72830997927423 |  erot = 2.23223699637276 | epot = -21.3657566950046 | etot = -16.4052097193576
-874000  ekin = 2.41464704842014 |  erot = 2.10351476791497 | epot = -21.2635161734954 | etot = -16.7453543571603
-875000  ekin = 2.99468455803481 |  erot = 2.72761242382523 | epot = -21.248888128938 | etot = -15.526591147078
-876000  ekin = 2.13382009818493 |  erot = 2.23152059294678 | epot = -21.2388603913311 | etot = -16.8735197001994
-877000  ekin = 1.839391763993 |  erot = 1.60727997722602 | epot = -21.2015948102408 | etot = -17.7549230690217
-878000  ekin = 2.01267175782178 |  erot = 2.73109796378376 | epot = -21.2125253160263 | etot = -16.4687555944207
-879000  ekin = 1.42911941081343 |  erot = 2.17371661448624 | epot = -21.1345316334464 | etot = -17.5316956081467
-880000  ekin = 2.10605339224632 |  erot = 2.58847517789128 | epot = -21.0787246891645 | etot = -16.3841961190269
-881000  ekin = 1.54924791070118 |  erot = 2.00685139154178 | epot = -21.1356465207066 | etot = -17.5795472184636
-882000  ekin = 2.199643157135 |  erot = 2.65509097106009 | epot = -21.2389026935677 | etot = -16.3841685653726
-883000  ekin = 2.20850404171077 |  erot = 2.22833605977577 | epot = -21.3067394383395 | etot = -16.8698993368529
-884000  ekin = 2.76978562647275 |  erot = 2.10395845939753 | epot = -21.3429618615584 | etot = -16.4692177756882
-885000  ekin = 1.93339807672781 |  erot = 1.77156241344965 | epot = -21.3858074096933 | etot = -17.6808469195158
-886000  ekin = 2.00408769971894 |  erot = 3.10736267931433 | epot = -21.3935346347812 | etot = -16.2820842557479
-887000  ekin = 1.96987943750801 |  erot = 2.82035886899742 | epot = -21.3967073105592 | etot = -16.6064690040538
-888000  ekin = 1.91464371566412 |  erot = 2.33371232948869 | epot = -21.4767119016419 | etot = -17.2283558564891
-889000  ekin = 1.88227414130201 |  erot = 2.45915914930409 | epot = -21.5790392436829 | etot = -17.2376059530768
-890000  ekin = 1.84515176532447 |  erot = 2.24992378831496 | epot = -21.6747594004542 | etot = -17.5796838468148
-891000  ekin = 2.6016566869706 |  erot = 2.34500453305756 | epot = -21.8016735536793 | etot = -16.8550123336512
-892000  ekin = 2.71287751886859 |  erot = 2.69544224573132 | epot = -21.9063749565584 | etot = -16.4980551919585
-893000  ekin = 2.17862714611329 |  erot = 2.98452123742221 | epot = -21.9155556335136 | etot = -16.7524072499781
-894000  ekin = 2.52079948361477 |  erot = 2.46355933674926 | epot = -21.9151100794549 | etot = -16.9307512590909
-895000  ekin = 2.53566097944338 |  erot = 2.45130454442939 | epot = -21.9477860878339 | etot = -16.9608205639611
-896000  ekin = 1.84455393639213 |  erot = 2.77499090684944 | epot = -21.9167554809878 | etot = -17.2972106377462
-897000  ekin = 2.38519326880694 |  erot = 2.019802873173 | epot = -21.8644918203992 | etot = -17.4594956784193
-898000  ekin = 2.14354914407572 |  erot = 1.89196669459414 | epot = -21.7953104274974 | etot = -17.7597945888275
-899000  ekin = 2.65485657727374 |  erot = 2.32374560038191 | epot = -21.6964754705568 | etot = -16.7178732929011
-900000  ekin = 2.1437154528087 |  erot = 2.28119066740276 | epot = -21.6934954112434 | etot = -17.2685892910319
-901000  ekin = 1.9396581494688 |  erot = 1.81495571440908 | epot = -21.7369092433376 | etot = -17.9822953794597
-902000  ekin = 2.60993957981555 |  erot = 2.50321386623392 | epot = -21.6842517568354 | etot = -16.5710983107859
-903000  ekin = 1.87484955546756 |  erot = 2.17008893987963 | epot = -21.6383913984978 | etot = -17.5934529031506
-904000  ekin = 1.87454064845764 |  erot = 2.32484081519397 | epot = -21.5866637125315 | etot = -17.3872822488799
-905000  ekin = 2.31407473814843 |  erot = 2.15094868542393 | epot = -21.5154415841816 | etot = -17.0504181606092
-906000  ekin = 2.49583383758853 |  erot = 2.25091096848465 | epot = -21.5170853902294 | etot = -16.7703405841562
-907000  ekin = 4.19798796104343 |  erot = 2.50305323228071 | epot = -21.5976736513859 | etot = -14.8966324580617
-908000  ekin = 3.26730891548756 |  erot = 2.11222217905481 | epot = -21.7526644402475 | etot = -16.3731333457052
-909000  ekin = 2.64106561110374 |  erot = 1.92197432194202 | epot = -21.8748043207924 | etot = -17.3117643877466
-910000  ekin = 2.61805562731904 |  erot = 2.90737422678698 | epot = -21.9709470207745 | etot = -16.4455171666685
-911000  ekin = 2.62012718860141 |  erot = 4.35318528241845 | epot = -22.0282478750366 | etot = -15.0549354040167
-912000  ekin = 3.07628909273119 |  erot = 3.69371809788395 | epot = -22.0511180009901 | etot = -15.2811108103749
-913000  ekin = 2.82956898268832 |  erot = 2.17078429141201 | epot = -22.0149543706266 | etot = -17.0146010965263
-914000  ekin = 2.16386655780066 |  erot = 1.22303673036132 | epot = -21.9243495493208 | etot = -18.5374462611588
-915000  ekin = 1.59447095066509 |  erot = 2.95966391292003 | epot = -21.8264580452026 | etot = -17.2723231816175
-916000  ekin = 2.58365539107524 |  erot = 3.75147270955028 | epot = -21.8922962938607 | etot = -15.5571681932352
-917000  ekin = 3.01643029206973 |  erot = 2.88035639021002 | epot = -21.9150526568514 | etot = -16.0182659745717
-918000  ekin = 2.89929776900147 |  erot = 2.64137394041291 | epot = -21.9078998623094 | etot = -16.367228152895
-919000  ekin = 3.20476671865013 |  erot = 2.76036957969153 | epot = -21.8878055443404 | etot = -15.9226692459987
-920000  ekin = 2.28949350558684 |  erot = 2.38558870046817 | epot = -21.8659406759967 | etot = -17.1908584699417
-921000  ekin = 2.39158312157106 |  erot = 2.44959700788171 | epot = -21.8638974869224 | etot = -17.0227173574696
-922000  ekin = 2.30678787768013 |  erot = 2.42145678067296 | epot = -21.8218369909645 | etot = -17.0935923326114
-923000  ekin = 2.49697778842282 |  erot = 2.66565493744118 | epot = -21.8078634464732 | etot = -16.6452307206092
-924000  ekin = 1.55676047489502 |  erot = 2.97115254541009 | epot = -21.7829722234117 | etot = -17.2550592031066
-925000  ekin = 1.86603413909288 |  erot = 1.96274861601778 | epot = -21.7288604040748 | etot = -17.9000776489642
-926000  ekin = 1.36993364395821 |  erot = 2.11749584641399 | epot = -21.7083442855147 | etot = -18.2209147951426
-927000  ekin = 2.55718977538496 |  erot = 2.08109095048878 | epot = -21.7242353526192 | etot = -17.0859546267455
-928000  ekin = 2.0974272910786 |  erot = 2.73922911267238 | epot = -21.7673808868818 | etot = -16.9307244831309
-929000  ekin = 1.85550591174835 |  erot = 1.84990976935039 | epot = -21.8639426090856 | etot = -18.1585269279869
-930000  ekin = 1.99594723517184 |  erot = 2.09151231016389 | epot = -21.8461015073052 | etot = -17.7586419619695
-931000  ekin = 2.45331651079282 |  erot = 1.86703658018612 | epot = -21.7382799817761 | etot = -17.4179268907972
-932000  ekin = 2.76909250526758 |  erot = 2.34990175754267 | epot = -21.7639792890093 | etot = -16.6449850261991
-933000  ekin = 3.0474736633548 |  erot = 2.52740756503517 | epot = -21.6783727845496 | etot = -16.1034915561596
-934000  ekin = 2.93463275640818 |  erot = 2.48893095891024 | epot = -21.5784996926913 | etot = -16.1549359773729
-935000  ekin = 2.77799347567549 |  erot = 2.13929358412251 | epot = -21.5334239467005 | etot = -16.6161368869025
-936000  ekin = 2.96529953690397 |  erot = 2.07095365726712 | epot = -21.5249249864243 | etot = -16.4886717922532
-937000  ekin = 3.04850537701749 |  erot = 2.32432162998049 | epot = -21.4386642161072 | etot = -16.0658372091092
-938000  ekin = 2.99262628505359 |  erot = 2.35224559307842 | epot = -21.3457080466207 | etot = -16.0008361684887
-939000  ekin = 2.61238181353702 |  erot = 2.2678035683729 | epot = -21.3079422537804 | etot = -16.4277568718705
-940000  ekin = 2.65930112044941 |  erot = 2.75497479722395 | epot = -21.2170493356503 | etot = -15.8027734179769
-941000  ekin = 2.27574261339217 |  erot = 2.61419196501686 | epot = -21.1297657597672 | etot = -16.2398311813582
-942000  ekin = 1.89172011891054 |  erot = 2.82029488513786 | epot = -21.0410099256113 | etot = -16.3289949215629
-943000  ekin = 2.47643464476757 |  erot = 2.34737109151874 | epot = -21.0466687727979 | etot = -16.2228630365116
-944000  ekin = 2.13883995897326 |  erot = 1.92577316206135 | epot = -21.0114219746513 | etot = -16.9468088536167
-945000  ekin = 2.57768697869113 |  erot = 2.21470136124071 | epot = -21.0634624131724 | etot = -16.2710740732406
-946000  ekin = 2.36420709243626 |  erot = 2.89647330776423 | epot = -21.088814693033 | etot = -15.8281342928325
-947000  ekin = 2.07104171538468 |  erot = 1.86575631327233 | epot = -21.1004860950451 | etot = -17.1636880663881
-948000  ekin = 1.85532958802996 |  erot = 1.36952834086551 | epot = -21.1364231315615 | etot = -17.911565202666
-949000  ekin = 1.76206591178366 |  erot = 2.3173732855863 | epot = -21.1463744779337 | etot = -17.0669352805637
-950000  ekin = 1.72021033353108 |  erot = 2.24191394295309 | epot = -21.1376324866855 | etot = -17.1755082102013
-951000  ekin = 1.96140007830504 |  erot = 2.32248863487758 | epot = -21.1955927656813 | etot = -16.9117040524986
-952000  ekin = 2.93256201500607 |  erot = 2.74550490827502 | epot = -21.234781024541 | etot = -15.5567141012599
-953000  ekin = 2.95031285986316 |  erot = 2.39822873263992 | epot = -21.252609183133 | etot = -15.9040675906299
-954000  ekin = 3.09579074538113 |  erot = 1.98159252445734 | epot = -21.1641538136741 | etot = -16.0867705438357
-955000  ekin = 3.59360323486037 |  erot = 2.06789679071824 | epot = -21.0522880782497 | etot = -15.3907880526711
-956000  ekin = 2.97416074498495 |  erot = 3.66953591785754 | epot = -20.9097603766373 | etot = -14.2660637137948
-957000  ekin = 3.03140562067951 |  erot = 2.6607808376071 | epot = -20.741905867784 | etot = -15.0497194094974
-958000  ekin = 2.68913434704071 |  erot = 2.94057112873837 | epot = -20.5488384129042 | etot = -14.9191329371251
-959000  ekin = 1.93264217407773 |  erot = 2.45198406257091 | epot = -20.468781161493 | etot = -16.0841549248444
-960000  ekin = 1.49632279167951 |  erot = 3.13346348599985 | epot = -20.4844974178568 | etot = -15.8547111401775
-961000  ekin = 1.96353429663481 |  erot = 2.07553358516997 | epot = -20.4805590123498 | etot = -16.441491130545
-962000  ekin = 2.02830196392006 |  erot = 1.88908496389356 | epot = -20.5374211599972 | etot = -16.6200342321836
-963000  ekin = 1.80829526034561 |  erot = 2.46258345726266 | epot = -20.5841835730968 | etot = -16.3133048554885
-964000  ekin = 2.79449124937198 |  erot = 2.42527551362847 | epot = -20.6238805444481 | etot = -15.4041137814477
-965000  ekin = 2.53493670506137 |  erot = 2.27804362684502 | epot = -20.6549300812152 | etot = -15.8419497493088
-966000  ekin = 2.0920817650402 |  erot = 2.27478990703181 | epot = -20.7044739042411 | etot = -16.3376022321691
-967000  ekin = 1.55562260797661 |  erot = 3.55543363172461 | epot = -20.739375276301 | etot = -15.6283190365998
-968000  ekin = 1.93439891222236 |  erot = 2.37295903815892 | epot = -20.7189229543386 | etot = -16.4115650039573
-969000  ekin = 2.16199728898304 |  erot = 2.4601205252494 | epot = -20.6747113173024 | etot = -16.05259350307
-970000  ekin = 1.84926216722517 |  erot = 2.96951777569265 | epot = -20.601159998151 | etot = -15.7823800552332
-971000  ekin = 1.93656411083027 |  erot = 3.08724923997924 | epot = -20.5835250734813 | etot = -15.5597117226718
-972000  ekin = 1.90452783927712 |  erot = 2.58230766783159 | epot = -20.578290598021 | etot = -16.0914550909123
-973000  ekin = 2.1922712122506 |  erot = 2.92686386394504 | epot = -20.586817370265 | etot = -15.4676822940694
-974000  ekin = 2.53094641465528 |  erot = 2.69271305556799 | epot = -20.5382547781502 | etot = -15.314595307927
-975000  ekin = 3.41187201669924 |  erot = 2.32917219553093 | epot = -20.5109803919918 | etot = -14.7699361797616
-976000  ekin = 2.88156114272554 |  erot = 3.10474521611249 | epot = -20.5158119249461 | etot = -14.5295055661081
-977000  ekin = 2.73962881168093 |  erot = 2.50884169958543 | epot = -20.4964590298 | etot = -15.2479885185336
-978000  ekin = 1.79682802545478 |  erot = 2.06924041504343 | epot = -20.4730821934977 | etot = -16.6070137529995
-979000  ekin = 1.86521389998383 |  erot = 2.22151626929011 | epot = -20.4069392895634 | etot = -16.3202091202895
-980000  ekin = 1.92383169177415 |  erot = 1.56425965548878 | epot = -20.3533353734709 | etot = -16.8652440262079
-981000  ekin = 1.5511019928294 |  erot = 2.05381225133937 | epot = -20.3970890782077 | etot = -16.7921748340389
-982000  ekin = 1.85559395816059 |  erot = 1.96991369841494 | epot = -20.499354149896 | etot = -16.6738464933205
-983000  ekin = 2.75061857015335 |  erot = 1.7944840218308 | epot = -20.5241519929379 | etot = -15.9790494009537
-984000  ekin = 3.65069712553538 |  erot = 2.64237329124735 | epot = -20.6374699142713 | etot = -14.3443994974885
-985000  ekin = 2.95637321931061 |  erot = 2.18846412126771 | epot = -20.8122975273334 | etot = -15.6674601867551
-986000  ekin = 2.87072902054599 |  erot = 2.18810434250117 | epot = -20.9390290724606 | etot = -15.8801957094134
-987000  ekin = 3.37463328642758 |  erot = 2.53713666674669 | epot = -21.0098323012659 | etot = -15.0980623480916
-988000  ekin = 3.45107854450337 |  erot = 3.23625536313168 | epot = -21.0554260480417 | etot = -14.3680921404067
-989000  ekin = 2.83591404363755 |  erot = 2.20564156324815 | epot = -21.19499265416 | etot = -16.1534370472743
-990000  ekin = 2.79864389348437 |  erot = 1.8317842666354 | epot = -21.1880268304373 | etot = -16.5575986703175
-991000  ekin = 3.14781925181036 |  erot = 3.20782471808907 | epot = -21.1115234865128 | etot = -14.7558795166134
-992000  ekin = 3.30033725309946 |  erot = 2.62749912694386 | epot = -21.0030296251663 | etot = -15.0751932451229
-993000  ekin = 3.07374297249948 |  erot = 2.22697230616357 | epot = -20.9385586572609 | etot = -15.6378433785979
-994000  ekin = 3.21461776403449 |  erot = 2.80599707993708 | epot = -20.8790524582442 | etot = -14.8584376142727
-995000  ekin = 3.25071478747346 |  erot = 1.73415439498321 | epot = -20.8037804714003 | etot = -15.8189112889436
-996000  ekin = 3.07999632962569 |  erot = 3.18107550500821 | epot = -20.7805295335828 | etot = -14.5194576989489
-997000  ekin = 2.97118118001025 |  erot = 3.14046656474895 | epot = -20.7334885248756 | etot = -14.6218407801164
-998000  ekin = 3.09169861594907 |  erot = 1.99060706981745 | epot = -20.6553134096535 | etot = -15.573007723887
-999000  ekin = 2.0749813057658 |  erot = 2.75045972766915 | epot = -20.6160915262949 | etot = -15.79065049286
-1000000  ekin = 2.07851119592056 |  erot = 2.11869313853033 | epot = -20.4539417072874 | etot = -16.2567373728365
- 1000000  0.092378275   -1.3359709  0.057599499   -1.1484644 -5.0252938e-05 
-Loop time of 41.7341 on 1 procs for 1000000 steps with 16 atoms
-
-Performance: 20702.495 tau/day, 23961.221 timesteps/s
-99.7% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 29.954     | 29.954     | 29.954     |   0.0 | 71.77
-Bond    | 1.0147     | 1.0147     | 1.0147     |   0.0 |  2.43
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.32043    | 0.32043    | 0.32043    |   0.0 |  0.77
-Output  | 6.9141e-06 | 6.9141e-06 | 6.9141e-06 |   0.0 |  0.00
-Modify  | 10.025     | 10.025     | 10.025     |   0.0 | 24.02
-Other   |            | 0.4203     |            |       |  1.01
-
-Nlocal:    16 ave 16 max 16 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    88 ave 88 max 88 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 88
-Ave neighs/atom = 5.5
-Ave special neighs/atom = 3.75
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:41
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4 b/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
deleted file mode 100644
index 54ec267735..0000000000
--- a/examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
+++ /dev/null
@@ -1,1161 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 2
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex2
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  16 atoms
-  reading velocities ...
-  16 velocities
-  16 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  13 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  4 = max # of 1-4 neighbors
-  6 = max # of special neighbors
-
-set atom * mass 3.1575
-  16 settings made for mass
-
-group all type 1 4
-16 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna/fene
-bond_coeff * 2.0 0.25 0.7525
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
-pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
-
-# NVE ensemble
-#fix 1 all nve/dot
-fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.92828
-  ghost atom cutoff = 1.92828
-  binsize = 0.964142, bins = 42 42 42
-  5 neighbor lists, perpetual/occasional/extra = 5 0 0
-  (1) pair oxdna/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 7.466 | 7.648 | 7.83 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.5402493 0.0070469125   -1.5332024 -8.5641987e-05 
-1000  ekin = 1.34565986428024 |  erot = 2.31051421234078 | epot = -24.5061991591502 | etot = -20.8500250825292
-2000  ekin = 2.15911766687235 |  erot = 2.16031365874706 | epot = -24.4723177103698 | etot = -20.1528863847504
-3000  ekin = 3.26561948796015 |  erot = 2.75651822936605 | epot = -24.412573068346 | etot = -18.3904353510198
-4000  ekin = 1.92438809241066 |  erot = 2.12016940074985 | epot = -24.3496233970111 | etot = -20.3050659038505
-5000  ekin = 1.35986357015476 |  erot = 1.99413493074226 | epot = -24.2789445616949 | etot = -20.9249460607979
-6000  ekin = 2.19432475124593 |  erot = 1.74281260409078 | epot = -24.2128064295788 | etot = -20.2756690742421
-7000  ekin = 2.65619274477635 |  erot = 1.74094257048458 | epot = -24.1673462333493 | etot = -19.7702109180883
-8000  ekin = 2.51333548501169 |  erot = 2.34649854571052 | epot = -24.0812769481836 | etot = -19.2214429174614
-9000  ekin = 2.24506493169711 |  erot = 2.0652555461504 | epot = -23.9906736063989 | etot = -19.6803531285514
-10000  ekin = 2.36632635249862 |  erot = 1.79592471761529 | epot = -23.9002627850602 | etot = -19.7380117149463
-11000  ekin = 2.03296432220126 |  erot = 1.687070009478 | epot = -23.8527188138995 | etot = -20.1326844822202
-12000  ekin = 2.65352743446956 |  erot = 2.50226345616878 | epot = -23.8480805937578 | etot = -18.6922897031194
-13000  ekin = 1.89067421214403 |  erot = 2.35043092595414 | epot = -23.7714712440931 | etot = -19.5303661059949
-14000  ekin = 1.90680463918722 |  erot = 2.127459870274 | epot = -23.7545354032947 | etot = -19.7202708938335
-15000  ekin = 2.40428667481004 |  erot = 2.06172433796653 | epot = -23.6726347642127 | etot = -19.2066237514361
-16000  ekin = 2.7510166356243 |  erot = 1.18896277635345 | epot = -23.5745121257654 | etot = -19.6345327137876
-17000  ekin = 2.44090826892662 |  erot = 2.38166706806442 | epot = -23.5888433865641 | etot = -18.766268049573
-18000  ekin = 2.16977970545217 |  erot = 2.46915729098831 | epot = -23.6023194416344 | etot = -18.9633824451939
-19000  ekin = 2.19378610033861 |  erot = 2.45183819484608 | epot = -23.5449084745393 | etot = -18.8992841793546
-20000  ekin = 2.07734013817241 |  erot = 1.81448496219961 | epot = -23.5782673056894 | etot = -19.6864422053173
-21000  ekin = 2.27781532351243 |  erot = 2.76369118136087 | epot = -23.5986545956161 | etot = -18.5571480907428
-22000  ekin = 2.69375785791379 |  erot = 1.86436952967315 | epot = -23.5521083325077 | etot = -18.9939809449208
-23000  ekin = 1.99952884103097 |  erot = 2.28032953163858 | epot = -23.4448504933921 | etot = -19.1649921207226
-24000  ekin = 2.19993258930349 |  erot = 2.97916455146846 | epot = -23.365299008021 | etot = -18.1862018672491
-25000  ekin = 2.28089469652686 |  erot = 2.97627567077201 | epot = -23.2873526827526 | etot = -18.0301823154537
-26000  ekin = 1.99390998801618 |  erot = 2.79250495479073 | epot = -23.1859723519608 | etot = -18.3995574091539
-27000  ekin = 2.00992865272585 |  erot = 2.66533768693446 | epot = -23.0781687640813 | etot = -18.402902424421
-28000  ekin = 2.00322172723407 |  erot = 2.36418499091004 | epot = -23.0032647032354 | etot = -18.6358579850913
-29000  ekin = 2.52361436071784 |  erot = 2.06140753694879 | epot = -22.9685706338047 | etot = -18.383548736138
-30000  ekin = 1.94969919616482 |  erot = 2.13601590002587 | epot = -22.8657664932105 | etot = -18.7800513970198
-31000  ekin = 1.81286761012387 |  erot = 2.31717861791922 | epot = -22.8372197907213 | etot = -18.7071735626782
-32000  ekin = 1.88389491638451 |  erot = 2.00512246825909 | epot = -22.9321024454487 | etot = -19.0430850608051
-33000  ekin = 1.78524470387102 |  erot = 1.83154598239148 | epot = -22.9538943248059 | etot = -19.3371036385434
-34000  ekin = 2.28023843988047 |  erot = 3.11357086039976 | epot = -23.0617618407572 | etot = -17.6679525404769
-35000  ekin = 2.88795920533174 |  erot = 1.81662227096288 | epot = -23.1342233361349 | etot = -18.4296418598403
-36000  ekin = 2.40018487148211 |  erot = 2.59182059399979 | epot = -23.2153198761915 | etot = -18.2233144107096
-37000  ekin = 2.22699211630433 |  erot = 1.73889017332476 | epot = -23.2291614908027 | etot = -19.2632792011736
-38000  ekin = 2.13593461964592 |  erot = 3.07590136326317 | epot = -23.1607724763685 | etot = -17.9489364934594
-39000  ekin = 2.08839393640823 |  erot = 2.80471150509565 | epot = -23.1352878747759 | etot = -18.242182433272
-40000  ekin = 2.94982054413846 |  erot = 2.19484102372242 | epot = -23.1842229043853 | etot = -18.0395613365244
-41000  ekin = 2.47855373480178 |  erot = 3.46795094832273 | epot = -23.1698888629099 | etot = -17.2233841797854
-42000  ekin = 2.57225931171306 |  erot = 3.11160980977123 | epot = -23.0914425999525 | etot = -17.4075734784682
-43000  ekin = 2.16695829201326 |  erot = 2.67063324875933 | epot = -22.9841690345739 | etot = -18.1465774938013
-44000  ekin = 2.3251045436594 |  erot = 3.31069456451417 | epot = -22.9099977707014 | etot = -17.2741986625278
-45000  ekin = 1.8593572517472 |  erot = 3.48256913429863 | epot = -22.7853293556222 | etot = -17.4434029695763
-46000  ekin = 2.59906260222482 |  erot = 2.2320785378511 | epot = -22.67184319375 | etot = -17.8407020536741
-47000  ekin = 1.9041935097682 |  erot = 3.39352467596442 | epot = -22.5624536061979 | etot = -17.2647354204653
-48000  ekin = 2.46191536162938 |  erot = 2.50024189038396 | epot = -22.5888330081063 | etot = -17.626675756093
-49000  ekin = 3.18008619674965 |  erot = 2.18329398142911 | epot = -22.6110647388653 | etot = -17.2476845606865
-50000  ekin = 2.92380640638808 |  erot = 1.5483538313346 | epot = -22.6682279672282 | etot = -18.1960677295055
-51000  ekin = 2.86729503225236 |  erot = 2.67529217516738 | epot = -22.6748886664557 | etot = -17.132301459036
-52000  ekin = 2.30283827457731 |  erot = 1.82645474029553 | epot = -22.6607030819086 | etot = -18.5314100670358
-53000  ekin = 3.18697616339313 |  erot = 1.67211265049679 | epot = -22.7158951183044 | etot = -17.8568063044145
-54000  ekin = 2.63274995193146 |  erot = 1.96664130685844 | epot = -22.7877787224364 | etot = -18.1883874636465
-55000  ekin = 3.18311630681888 |  erot = 2.85127254864952 | epot = -22.8390589862477 | etot = -16.8046701307793
-56000  ekin = 2.55275960671527 |  erot = 3.05720384772627 | epot = -22.8187750450683 | etot = -17.2088115906267
-57000  ekin = 2.43682051944963 |  erot = 3.45782031837861 | epot = -22.7770565571277 | etot = -16.8824157192995
-58000  ekin = 1.93888380963701 |  erot = 2.51321017005842 | epot = -22.7135987564736 | etot = -18.2615047767781
-59000  ekin = 2.5584899615086 |  erot = 3.52166542523796 | epot = -22.6623202639297 | etot = -16.5821648771831
-60000  ekin = 2.80661395039301 |  erot = 2.89055248290059 | epot = -22.5801959967487 | etot = -16.8830295634551
-61000  ekin = 2.68598657973729 |  erot = 2.54741083070049 | epot = -22.4806361765055 | etot = -17.2472387660677
-62000  ekin = 2.74493324548126 |  erot = 2.23648307303268 | epot = -22.4129547813458 | etot = -17.4315384628319
-63000  ekin = 2.65627195091608 |  erot = 2.46107949280746 | epot = -22.3986334001314 | etot = -17.2812819564079
-64000  ekin = 2.12379240032878 |  erot = 2.79203441675508 | epot = -22.3495990435982 | etot = -17.4337722265143
-65000  ekin = 1.86782238979936 |  erot = 2.70277079938775 | epot = -22.3710220966341 | etot = -17.800428907447
-66000  ekin = 2.74983103317414 |  erot = 1.93532287297328 | epot = -22.3642892005435 | etot = -17.6791352943961
-67000  ekin = 2.51092055125345 |  erot = 2.46618624666164 | epot = -22.3997780561407 | etot = -17.4226712582257
-68000  ekin = 2.95469759114172 |  erot = 1.97026833535316 | epot = -22.465077041847 | etot = -17.5401111153521
-69000  ekin = 2.60179538487173 |  erot = 2.27022574694886 | epot = -22.4013876082186 | etot = -17.529366476398
-70000  ekin = 2.38624525335423 |  erot = 2.82124637267728 | epot = -22.3329612644329 | etot = -17.1254696384013
-71000  ekin = 2.62641919853461 |  erot = 2.89332429923839 | epot = -22.3324946257813 | etot = -16.8127511280083
-72000  ekin = 2.93199679301318 |  erot = 2.83600213853038 | epot = -22.4418753486332 | etot = -16.6738764170897
-73000  ekin = 2.20521324648382 |  erot = 3.0506384171445 | epot = -22.5078076718832 | etot = -17.2519560082549
-74000  ekin = 2.16594519672766 |  erot = 2.82993872672918 | epot = -22.5187768617569 | etot = -17.5228929383001
-75000  ekin = 1.52753824412461 |  erot = 1.91758574309003 | epot = -22.6434864113427 | etot = -19.198362424128
-76000  ekin = 1.89477517532868 |  erot = 2.83145375092217 | epot = -22.7507099037207 | etot = -18.0244809774699
-77000  ekin = 2.84722966394523 |  erot = 3.20523918524771 | epot = -22.8263123696514 | etot = -16.7738435204585
-78000  ekin = 2.44900478430451 |  erot = 2.80964787966682 | epot = -22.8119237303111 | etot = -17.5532710663397
-79000  ekin = 2.16549328835506 |  erot = 1.67531288307153 | epot = -22.8278994273521 | etot = -18.9870932559255
-80000  ekin = 2.38929173610466 |  erot = 2.58355997375491 | epot = -22.7453472674483 | etot = -17.7724955575887
-81000  ekin = 2.74182188148999 |  erot = 1.92580771183151 | epot = -22.6872721828913 | etot = -18.0196425895698
-82000  ekin = 1.90254633515813 |  erot = 1.70958501101745 | epot = -22.5904815431895 | etot = -18.9783501970139
-83000  ekin = 1.63862423461032 |  erot = 1.87668722448406 | epot = -22.5030898166236 | etot = -18.9877783575292
-84000  ekin = 1.65768128899531 |  erot = 2.10186039233844 | epot = -22.4199436013011 | etot = -18.6604019199674
-85000  ekin = 2.40787065796921 |  erot = 2.04965431830703 | epot = -22.3401854879212 | etot = -17.882660511645
-86000  ekin = 2.51073542405177 |  erot = 1.79768841940749 | epot = -22.3948638623201 | etot = -18.0864400188608
-87000  ekin = 2.13729284484532 |  erot = 1.97886338867606 | epot = -22.4457225556767 | etot = -18.3295663221553
-88000  ekin = 1.7511616822056 |  erot = 2.36434608342924 | epot = -22.4232555875236 | etot = -18.3077478218887
-89000  ekin = 1.85498863251071 |  erot = 3.29466014836527 | epot = -22.4615925106509 | etot = -17.3119437297749
-90000  ekin = 2.22730928223451 |  erot = 2.36761183779185 | epot = -22.5498488806969 | etot = -17.9549277606706
-91000  ekin = 2.40026068010467 |  erot = 3.1312454261103 | epot = -22.5445138059197 | etot = -17.0130076997047
-92000  ekin = 2.69184894487886 |  erot = 3.01111638487596 | epot = -22.5488335054242 | etot = -16.8458681756693
-93000  ekin = 3.04452081584098 |  erot = 3.0289315825034 | epot = -22.4857514998612 | etot = -16.4122991015169
-94000  ekin = 3.21054020599498 |  erot = 1.87554208928457 | epot = -22.58235617796 | etot = -17.4962738826805
-95000  ekin = 3.49164555041805 |  erot = 2.89107259754101 | epot = -22.651746211573 | etot = -16.2690280636139
-96000  ekin = 2.8961145983777 |  erot = 2.38403691628048 | epot = -22.6376886129393 | etot = -17.3575370982811
-97000  ekin = 1.94001816357315 |  erot = 2.09603205774619 | epot = -22.6212143095229 | etot = -18.5851640882036
-98000  ekin = 2.21812472183551 |  erot = 3.66512951907029 | epot = -22.5400207863669 | etot = -16.6567665454611
-99000  ekin = 1.96304801418099 |  erot = 2.78092002528644 | epot = -22.4500077741119 | etot = -17.7060397346444
-100000  ekin = 1.78146596589238 |  erot = 2.66087063973067 | epot = -22.3806285021859 | etot = -17.9382918965629
-101000  ekin = 2.13576431486591 |  erot = 2.39189697670582 | epot = -22.3671198416411 | etot = -17.8394585500694
-102000  ekin = 1.54265458925823 |  erot = 2.31301627489861 | epot = -22.3596033820568 | etot = -18.5039325179
-103000  ekin = 1.6493299781162 |  erot = 2.82700146777614 | epot = -22.4044472055819 | etot = -17.9281157596895
-104000  ekin = 1.88425130865015 |  erot = 3.36695629589132 | epot = -22.4614117565727 | etot = -17.2102041520312
-105000  ekin = 2.0873628063424 |  erot = 1.99902589912497 | epot = -22.4857870795246 | etot = -18.3993983740572
-106000  ekin = 2.85192200005481 |  erot = 1.96124421177818 | epot = -22.4885148263279 | etot = -17.6753486144949
-107000  ekin = 2.27699301124082 |  erot = 1.54572940373457 | epot = -22.4328687856414 | etot = -18.610146370666
-108000  ekin = 2.43341212242248 |  erot = 1.7101452395327 | epot = -22.4750159709763 | etot = -18.3314586090212
-109000  ekin = 2.3240302459673 |  erot = 2.92730273400661 | epot = -22.4544447404649 | etot = -17.203111760491
-110000  ekin = 2.75939007795593 |  erot = 2.3726124845783 | epot = -22.4066316113363 | etot = -17.2746290488021
-111000  ekin = 2.30202775259985 |  erot = 2.09098171366697 | epot = -22.340628179725 | etot = -17.9476187134581
-112000  ekin = 2.89672803093986 |  erot = 1.84536318388285 | epot = -22.189229344937 | etot = -17.4471381301143
-113000  ekin = 2.802868120203 |  erot = 1.68317583122193 | epot = -22.1739192926257 | etot = -17.6878753412008
-114000  ekin = 3.41134331362353 |  erot = 2.66279011393036 | epot = -22.2993892060878 | etot = -16.2252557785339
-115000  ekin = 3.04096848543598 |  erot = 1.72164164793761 | epot = -22.3101669297006 | etot = -17.547556796327
-116000  ekin = 3.18249263106367 |  erot = 3.21872780579631 | epot = -22.3766120310369 | etot = -15.975391594177
-117000  ekin = 3.04033644338918 |  erot = 2.4163277414929 | epot = -22.3406101341932 | etot = -16.8839459493111
-118000  ekin = 3.2297663279461 |  erot = 1.46870208555873 | epot = -22.262910646297 | etot = -17.5644422327922
-119000  ekin = 2.35815331598994 |  erot = 3.07464675916892 | epot = -22.21629705762 | etot = -16.7834969824611
-120000  ekin = 1.93901604028919 |  erot = 2.21087803685818 | epot = -22.1596747789505 | etot = -18.0097807018031
-121000  ekin = 1.94791988346889 |  erot = 3.06697908719322 | epot = -22.1473490758084 | etot = -17.1324501051462
-122000  ekin = 1.69642311218451 |  erot = 1.71065948591522 | epot = -22.235021693017 | etot = -18.8279390949172
-123000  ekin = 1.74537927001903 |  erot = 2.31042772730644 | epot = -22.3250546948603 | etot = -18.2692476975348
-124000  ekin = 2.74229806685692 |  erot = 1.94346011848795 | epot = -22.3376426377462 | etot = -17.6518844524013
-125000  ekin = 2.77628031613761 |  erot = 1.95737420539167 | epot = -22.3561899601979 | etot = -17.6225354386686
-126000  ekin = 2.05898577806786 |  erot = 1.47493157618749 | epot = -22.3918669376121 | etot = -18.8579495833568
-127000  ekin = 1.88620727578863 |  erot = 1.58698481884328 | epot = -22.3753405588623 | etot = -18.9021484642304
-128000  ekin = 1.65027256647601 |  erot = 1.87589048163674 | epot = -22.3576574967822 | etot = -18.8314944486694
-129000  ekin = 2.51771860981078 |  erot = 2.38745668871875 | epot = -22.3622404512641 | etot = -17.4570651527346
-130000  ekin = 1.60778116741171 |  erot = 2.81983062254802 | epot = -22.3043401463426 | etot = -17.8767283563829
-131000  ekin = 2.27966529707091 |  erot = 2.29465997580789 | epot = -22.1860056729234 | etot = -17.6116804000446
-132000  ekin = 2.94605151024306 |  erot = 2.34727265039698 | epot = -22.1004107829512 | etot = -16.8070866223112
-133000  ekin = 2.00184520718143 |  erot = 2.13597622566089 | epot = -22.0860804435183 | etot = -17.948259010676
-134000  ekin = 1.54536260297594 |  erot = 2.86019181856985 | epot = -22.0324797134652 | etot = -17.6269252919194
-135000  ekin = 1.7899169229158 |  erot = 2.40585579784188 | epot = -22.0564792277569 | etot = -17.8607065069992
-136000  ekin = 1.63315069688348 |  erot = 2.13968964990471 | epot = -22.0645410751455 | etot = -18.2917007283573
-137000  ekin = 2.36475220491125 |  erot = 1.93075105476848 | epot = -22.101884847306 | etot = -17.8063815876262
-138000  ekin = 2.9554682114977 |  erot = 1.58329215843879 | epot = -22.158920719349 | etot = -17.6201603494125
-139000  ekin = 3.18559985564368 |  erot = 2.24978247982886 | epot = -22.2766713145625 | etot = -16.84128897909
-140000  ekin = 2.25331500051846 |  erot = 3.04264261269698 | epot = -22.4413209794807 | etot = -17.1453633662653
-141000  ekin = 1.8939664036255 |  erot = 3.12730191483887 | epot = -22.6943708703895 | etot = -17.6731025519251
-142000  ekin = 2.48698722341786 |  erot = 2.50204475841097 | epot = -22.8022645411412 | etot = -17.8132325593124
-143000  ekin = 2.39031114354901 |  erot = 2.72027514737474 | epot = -22.7789363640121 | etot = -17.6683500730884
-144000  ekin = 1.93009742932803 |  erot = 2.68112648713777 | epot = -22.6600942975092 | etot = -18.0488703810434
-145000  ekin = 1.81543048110687 |  erot = 1.73927524532866 | epot = -22.6290694904769 | etot = -19.0743637640413
-146000  ekin = 2.4125202126428 |  erot = 2.0856902293417 | epot = -22.560764077018 | etot = -18.0625536350335
-147000  ekin = 1.44642974398304 |  erot = 1.86921415702345 | epot = -22.4437745695725 | etot = -19.128130668566
-148000  ekin = 1.94224767107089 |  erot = 2.57935525538892 | epot = -22.4110987100046 | etot = -17.8894957835448
-149000  ekin = 2.03195649040454 |  erot = 3.31786202502786 | epot = -22.312227106758 | etot = -16.9624085913256
-150000  ekin = 2.47792894576431 |  erot = 2.68612874200302 | epot = -22.1392843642772 | etot = -16.9752266765099
-151000  ekin = 2.75692645092955 |  erot = 1.88122565848133 | epot = -21.9329416416722 | etot = -17.2947895322613
-152000  ekin = 2.7753834344323 |  erot = 1.78115734250796 | epot = -21.745072490984 | etot = -17.1885317140438
-153000  ekin = 3.09316888168833 |  erot = 1.80744228044955 | epot = -21.6451473427313 | etot = -16.7445361805934
-154000  ekin = 2.31433640945477 |  erot = 2.19304386678896 | epot = -21.5946356595636 | etot = -17.0872553833199
-155000  ekin = 1.94169881401553 |  erot = 2.67959698479411 | epot = -21.6941053409436 | etot = -17.0728095421339
-156000  ekin = 2.69151609119638 |  erot = 2.25048211983205 | epot = -21.7610571974251 | etot = -16.8190589863966
-157000  ekin = 3.89507004263776 |  erot = 2.74501587672577 | epot = -21.8157728797742 | etot = -15.1756869604107
-158000  ekin = 2.88173407476086 |  erot = 2.69702262693026 | epot = -21.8854957137509 | etot = -16.3067390120597
-159000  ekin = 3.15173323195919 |  erot = 2.61743473710129 | epot = -21.8245251626835 | etot = -16.055357193623
-160000  ekin = 2.54983562435716 |  erot = 3.26037467643908 | epot = -21.8527884226329 | etot = -16.0425781218366
-161000  ekin = 2.47569624391789 |  erot = 2.44418416527208 | epot = -21.7973550812186 | etot = -16.8774746720287
-162000  ekin = 2.9422872213738 |  erot = 2.59784970938383 | epot = -21.7813251561028 | etot = -16.2411882253452
-163000  ekin = 3.25812805712343 |  erot = 2.2523933100784 | epot = -21.820089307521 | etot = -16.3095679403192
-164000  ekin = 3.52786799143084 |  erot = 2.22392713421413 | epot = -21.7646946348872 | etot = -16.0128995092422
-165000  ekin = 2.47839548873417 |  erot = 2.58744140761171 | epot = -21.679095294504 | etot = -16.6132583981582
-166000  ekin = 2.14435847552791 |  erot = 3.04732688845808 | epot = -21.6219995979976 | etot = -16.4303142340116
-167000  ekin = 2.77664659649902 |  erot = 2.89037999868329 | epot = -21.5339928834654 | etot = -15.8669662882831
-168000  ekin = 1.74464407802389 |  erot = 2.78052653338967 | epot = -21.4288999288374 | etot = -16.9037293174239
-169000  ekin = 1.80689129093329 |  erot = 2.46391033708927 | epot = -21.4128285618694 | etot = -17.1420269338468
-170000  ekin = 1.6949814594151 |  erot = 2.88911238881154 | epot = -21.4319269866203 | etot = -16.8478331383937
-171000  ekin = 2.15326316196645 |  erot = 1.61346547801869 | epot = -21.2861470779283 | etot = -17.5194184379432
-172000  ekin = 1.67904916339532 |  erot = 2.36509147316375 | epot = -21.1250864759441 | etot = -17.080945839385
-173000  ekin = 2.05349972960735 |  erot = 2.1886466510775 | epot = -21.0744450592631 | etot = -16.8322986785782
-174000  ekin = 2.49402795941962 |  erot = 3.10392317000879 | epot = -20.9332609664624 | etot = -15.335309837034
-175000  ekin = 2.60611029063986 |  erot = 2.90993176119182 | epot = -20.8533230180668 | etot = -15.3372809662352
-176000  ekin = 2.14535974511637 |  erot = 2.67710511021539 | epot = -20.8508037764829 | etot = -16.0283389211511
-177000  ekin = 2.82654664242577 |  erot = 2.80647819657321 | epot = -20.9303681620826 | etot = -15.2973433230836
-178000  ekin = 3.17006270723388 |  erot = 1.88204403688962 | epot = -21.0665744865168 | etot = -16.0144677423933
-179000  ekin = 2.33834827123178 |  erot = 2.84870047825869 | epot = -21.1082901606943 | etot = -15.9212414112039
-180000  ekin = 2.39362550925045 |  erot = 2.94575326168227 | epot = -21.1089731290028 | etot = -15.7695943580701
-181000  ekin = 2.78703231260152 |  erot = 3.29998898392537 | epot = -21.0761138110654 | etot = -14.9890925145385
-182000  ekin = 3.02338391239199 |  erot = 2.32533107462881 | epot = -21.0444377426861 | etot = -15.6957227556653
-183000  ekin = 2.44126401356994 |  erot = 2.19853056632819 | epot = -20.8846280234405 | etot = -16.2448334435424
-184000  ekin = 2.56448211253962 |  erot = 2.77267067014066 | epot = -20.6657911214549 | etot = -15.3286383387746
-185000  ekin = 2.16427057092672 |  erot = 1.95880146934286 | epot = -20.5647658775173 | etot = -16.4416938372477
-186000  ekin = 2.06536030915311 |  erot = 3.14593463137772 | epot = -20.4537584304771 | etot = -15.2424634899463
-187000  ekin = 2.43846121057803 |  erot = 1.93593042270703 | epot = -20.4775765627296 | etot = -16.1031849294445
-188000  ekin = 2.28827356508696 |  erot = 2.89699235589217 | epot = -20.6028880527163 | etot = -15.4176221317372
-189000  ekin = 1.67206333515898 |  erot = 3.05807378739729 | epot = -20.6184572736204 | etot = -15.8883201510642
-190000  ekin = 1.96995062226968 |  erot = 2.94301967439401 | epot = -20.6150380630742 | etot = -15.7020677664105
-191000  ekin = 2.31558303301195 |  erot = 2.65062200614568 | epot = -20.5845049099943 | etot = -15.6182998708367
-192000  ekin = 3.58105122568799 |  erot = 2.89866835149675 | epot = -20.555036456006 | etot = -14.0753168788213
-193000  ekin = 2.69738971383614 |  erot = 3.08390984677749 | epot = -20.5718609412494 | etot = -14.7905613806358
-194000  ekin = 2.65963556416735 |  erot = 2.28486501061268 | epot = -20.4488832942326 | etot = -15.5043827194526
-195000  ekin = 1.85289053427901 |  erot = 2.65318671222087 | epot = -20.3816844231208 | etot = -15.8756071766209
-196000  ekin = 2.28257181147918 |  erot = 2.31175601065462 | epot = -20.4051132325268 | etot = -15.810785410393
-197000  ekin = 2.49770460330585 |  erot = 2.55587879440511 | epot = -20.4716020539923 | etot = -15.4180186562814
-198000  ekin = 2.01700960777427 |  erot = 1.51922008609382 | epot = -20.4907970823156 | etot = -16.9545673884475
-199000  ekin = 1.50027537520987 |  erot = 2.19604462463446 | epot = -20.5138434458212 | etot = -16.8175234459769
-200000  ekin = 1.64850512926723 |  erot = 2.4596633548257 | epot = -20.4934420686449 | etot = -16.385273584552
-201000  ekin = 2.62997533994907 |  erot = 2.61637339049483 | epot = -20.5569645618355 | etot = -15.3106158313916
-202000  ekin = 2.3089517547524 |  erot = 2.5565329388766 | epot = -20.6262537118088 | etot = -15.7607690181798
-203000  ekin = 1.64768887888551 |  erot = 2.11556417528285 | epot = -20.6617888215465 | etot = -16.8985357673782
-204000  ekin = 2.01924097320136 |  erot = 1.97748949636931 | epot = -20.7002685556682 | etot = -16.7035380860975
-205000  ekin = 2.97656554045711 |  erot = 3.25408007971553 | epot = -20.9425038008424 | etot = -14.7118581806698
-206000  ekin = 2.56613069661945 |  erot = 2.21624244224461 | epot = -21.0621833598182 | etot = -16.2798102209542
-207000  ekin = 3.44850636848559 |  erot = 2.48816050856267 | epot = -21.2038849430867 | etot = -15.2672180660384
-208000  ekin = 2.54208934028226 |  erot = 2.22605232144502 | epot = -21.3476404533667 | etot = -16.5794987916394
-209000  ekin = 3.84151461096732 |  erot = 2.16534559513903 | epot = -21.4932373455843 | etot = -15.486377139478
-210000  ekin = 3.06873591712904 |  erot = 2.24760815652574 | epot = -21.6427793540355 | etot = -16.3264352803807
-211000  ekin = 1.64176280869923 |  erot = 2.17721976802011 | epot = -21.8130439048272 | etot = -17.9940613281078
-212000  ekin = 2.5985934050661 |  erot = 2.41520703335869 | epot = -21.9964648294563 | etot = -16.9826643910315
-213000  ekin = 2.51136104390039 |  erot = 1.99503544560738 | epot = -22.161492842604 | etot = -17.6550963530962
-214000  ekin = 2.77089845962619 |  erot = 3.17247228684199 | epot = -22.208715104286 | etot = -16.2653443578179
-215000  ekin = 2.53408528186206 |  erot = 1.84963848601798 | epot = -22.1148567901871 | etot = -17.7311330223071
-216000  ekin = 2.52671619876928 |  erot = 2.77873014449688 | epot = -22.1370884570131 | etot = -16.8316421137469
-217000  ekin = 2.50171921508545 |  erot = 1.89238935467003 | epot = -22.226079201001 | etot = -17.8319706312455
-218000  ekin = 2.43936294263937 |  erot = 2.41974828067303 | epot = -22.2447049583244 | etot = -17.385593735012
-219000  ekin = 2.30221269367205 |  erot = 2.65120674162376 | epot = -22.2807164841742 | etot = -17.3272970488784
-220000  ekin = 1.70065256620687 |  erot = 2.34758543213915 | epot = -22.2809933538228 | etot = -18.2327553554768
-221000  ekin = 2.09298237125575 |  erot = 2.47886481595909 | epot = -22.267957001012 | etot = -17.6961098137972
-222000  ekin = 1.58469709510937 |  erot = 2.14490786301286 | epot = -22.1867412404881 | etot = -18.4571362823659
-223000  ekin = 1.83926923346352 |  erot = 1.89456034969536 | epot = -22.131893392038 | etot = -18.3980638088791
-224000  ekin = 2.59583657132575 |  erot = 2.93869915115497 | epot = -22.1425986650605 | etot = -16.6080629425798
-225000  ekin = 3.29351563254165 |  erot = 2.8433953581414 | epot = -22.12757310355 | etot = -15.9906621128669
-226000  ekin = 3.03135339447922 |  erot = 2.08293143143602 | epot = -22.15283624886 | etot = -17.0385514229448
-227000  ekin = 2.50176282992082 |  erot = 3.15084128846395 | epot = -22.2250438959744 | etot = -16.5724397775897
-228000  ekin = 2.32013498351673 |  erot = 2.67554406359438 | epot = -22.3177515383563 | etot = -17.3220724912452
-229000  ekin = 2.89545450975319 |  erot = 2.90735055857068 | epot = -22.4361496683348 | etot = -16.6333446000109
-230000  ekin = 2.28321229485933 |  erot = 3.48420465632866 | epot = -22.548785995051 | etot = -16.781369043863
-231000  ekin = 2.0778632375453 |  erot = 3.10673973696435 | epot = -22.5896609633152 | etot = -17.4050579888055
-232000  ekin = 2.1202374109541 |  erot = 1.98747810033066 | epot = -22.5738924334392 | etot = -18.4661769221544
-233000  ekin = 2.33571877855589 |  erot = 2.83585090202738 | epot = -22.5402065195541 | etot = -17.3686368389708
-234000  ekin = 2.10578223747154 |  erot = 2.07381218733636 | epot = -22.5507693150833 | etot = -18.3711748902754
-235000  ekin = 2.44321041214394 |  erot = 2.80846352304319 | epot = -22.5606929563186 | etot = -17.3090190211315
-236000  ekin = 2.93630791731799 |  erot = 3.0631591853173 | epot = -22.4860653874721 | etot = -16.4865982848369
-237000  ekin = 3.21264879506079 |  erot = 3.268665084783 | epot = -22.3683553437861 | etot = -15.8870414639424
-238000  ekin = 2.46595539123277 |  erot = 2.32502019506661 | epot = -22.3144456769666 | etot = -17.5234700906672
-239000  ekin = 2.10325864915823 |  erot = 2.47631139904043 | epot = -22.3011392921811 | etot = -17.7215692439824
-240000  ekin = 1.77270999777839 |  erot = 2.60141429112665 | epot = -22.2344206081543 | etot = -17.8602963192493
-241000  ekin = 1.94952922244078 |  erot = 1.39715216866764 | epot = -22.2207225048761 | etot = -18.8740411137677
-242000  ekin = 3.05687991591411 |  erot = 2.00862394928707 | epot = -22.2213200390944 | etot = -17.1558161738932
-243000  ekin = 2.86735711945299 |  erot = 1.79948118674679 | epot = -22.2697610280427 | etot = -17.6029227218429
-244000  ekin = 2.00525854269389 |  erot = 2.36445341214555 | epot = -22.2726788994494 | etot = -17.90296694461
-245000  ekin = 2.28011102404837 |  erot = 2.78700520532799 | epot = -22.2995433574618 | etot = -17.2324271280854
-246000  ekin = 2.06819738789813 |  erot = 2.24624952782285 | epot = -22.2551680110138 | etot = -17.9407210952928
-247000  ekin = 1.69964711256213 |  erot = 3.22260619239828 | epot = -22.1916408256116 | etot = -17.2693875206512
-248000  ekin = 1.92997585194759 |  erot = 3.61155944514372 | epot = -22.0096484177853 | etot = -16.468113120694
-249000  ekin = 2.16278530892653 |  erot = 3.27771891456707 | epot = -21.8856058980727 | etot = -16.4451016745791
-250000  ekin = 2.32204054211024 |  erot = 2.46317574116846 | epot = -21.8028762710591 | etot = -17.0176599877804
-251000  ekin = 1.23768964067254 |  erot = 2.241505337621 | epot = -21.7630657074039 | etot = -18.2838707291104
-252000  ekin = 1.79818833522214 |  erot = 2.12556386664126 | epot = -21.7586349357284 | etot = -17.8348827338651
-253000  ekin = 2.12809689846393 |  erot = 2.59685639208402 | epot = -21.7226495687758 | etot = -16.9976962782278
-254000  ekin = 2.46813261968532 |  erot = 2.0039181266287 | epot = -21.7113918037362 | etot = -17.2393410574222
-255000  ekin = 2.3156672908729 |  erot = 2.03619058028115 | epot = -21.7265453183256 | etot = -17.3746874471716
-256000  ekin = 2.87223929491326 |  erot = 2.61790933826623 | epot = -21.659332511914 | etot = -16.1691838787345
-257000  ekin = 2.85756762932927 |  erot = 2.081746739162 | epot = -21.6161821054731 | etot = -16.6768677369818
-258000  ekin = 2.06111021157734 |  erot = 2.32748664972428 | epot = -21.5132485706726 | etot = -17.124651709371
-259000  ekin = 2.23305784057759 |  erot = 2.88843859953734 | epot = -21.5040039667854 | etot = -16.3825075266705
-260000  ekin = 2.49862397932476 |  erot = 2.38336885848388 | epot = -21.488210637319 | etot = -16.6062177995103
-261000  ekin = 2.09280296934734 |  erot = 2.39632540029207 | epot = -21.4325331777953 | etot = -16.9434048081559
-262000  ekin = 2.33576913564289 |  erot = 2.67273419354396 | epot = -21.3832241450035 | etot = -16.3747208158166
-263000  ekin = 2.20536189489354 |  erot = 2.71530627040564 | epot = -21.4329409070981 | etot = -16.5122727417989
-264000  ekin = 2.2858247573423 |  erot = 2.76839346219664 | epot = -21.3931084431599 | etot = -16.338890223621
-265000  ekin = 1.70928536820409 |  erot = 1.79395423442894 | epot = -21.2682341921474 | etot = -17.7649945895143
-266000  ekin = 2.48721735474525 |  erot = 2.08745460533224 | epot = -21.1746995817337 | etot = -16.6000276216562
-267000  ekin = 2.69283567987774 |  erot = 2.10301910407212 | epot = -21.1705161290062 | etot = -16.3746613450563
-268000  ekin = 3.00000233743719 |  erot = 2.80954585635721 | epot = -21.164752112651 | etot = -15.3552039188566
-269000  ekin = 3.50713810468527 |  erot = 2.35763817348001 | epot = -21.1537110688984 | etot = -15.2889347907331
-270000  ekin = 3.50686942248863 |  erot = 1.86462765875889 | epot = -21.1925508822801 | etot = -15.8210538010326
-271000  ekin = 3.57026082273992 |  erot = 2.08172467795386 | epot = -21.2775817182941 | etot = -15.6255962176003
-272000  ekin = 2.4484752533773 |  erot = 3.08466485039761 | epot = -21.3619851902072 | etot = -15.8288450864323
-273000  ekin = 2.39748176307242 |  erot = 3.13355050446718 | epot = -21.4386234252579 | etot = -15.9075911577183
-274000  ekin = 2.48208144431864 |  erot = 2.00552494041966 | epot = -21.4476232953882 | etot = -16.9600169106499
-275000  ekin = 2.48721081149369 |  erot = 3.05413598233601 | epot = -21.4713984309063 | etot = -15.9300516370766
-276000  ekin = 2.82709589676966 |  erot = 2.88384306577856 | epot = -21.4434590118161 | etot = -15.7325200492679
-277000  ekin = 2.23479555963312 |  erot = 2.20310851955638 | epot = -21.3883073251199 | etot = -16.9504032459304
-278000  ekin = 2.81418916407429 |  erot = 3.24537052192614 | epot = -21.3155364074003 | etot = -15.2559767213999
-279000  ekin = 2.57366525203698 |  erot = 1.81705578305927 | epot = -21.2862101233851 | etot = -16.8954890882888
-280000  ekin = 2.41063464320149 |  erot = 1.76282693004731 | epot = -21.254962528096 | etot = -17.0815009548472
-281000  ekin = 2.58126226070486 |  erot = 2.29258221702166 | epot = -21.306394928225 | etot = -16.4325504504985
-282000  ekin = 3.02016903398222 |  erot = 2.43094523890342 | epot = -21.4340900724633 | etot = -15.9829757995777
-283000  ekin = 2.59269149790331 |  erot = 2.11330689541034 | epot = -21.6296517079942 | etot = -16.9236533146805
-284000  ekin = 2.51704243107537 |  erot = 3.13156683036761 | epot = -21.7452694753527 | etot = -16.0966602139097
-285000  ekin = 2.4236537221525 |  erot = 1.77228258125504 | epot = -21.8557019037769 | etot = -17.6597656003694
-286000  ekin = 1.9446719552166 |  erot = 2.0366097411672 | epot = -21.901435736722 | etot = -17.9201540403382
-287000  ekin = 2.56319670376172 |  erot = 2.60867050510164 | epot = -21.90675099349 | etot = -16.7348837846266
-288000  ekin = 2.19574207425737 |  erot = 1.69805542160022 | epot = -21.8143855675961 | etot = -17.9205880717385
-289000  ekin = 2.35326278833026 |  erot = 1.65840109676147 | epot = -21.6976038565284 | etot = -17.6859399714367
-290000  ekin = 2.35194561775049 |  erot = 1.99444238353746 | epot = -21.6551012116075 | etot = -17.3087132103195
-291000  ekin = 1.48585281531715 |  erot = 2.66475825861553 | epot = -21.56036793472 | etot = -17.4097568607873
-292000  ekin = 2.10739944756451 |  erot = 2.42809824662637 | epot = -21.4451596117638 | etot = -16.9096619175729
-293000  ekin = 2.11618090223715 |  erot = 1.86694554151197 | epot = -21.3593625692767 | etot = -17.3762361255276
-294000  ekin = 2.06078090566331 |  erot = 2.13941873359477 | epot = -21.232623310094 | etot = -17.032423670836
-295000  ekin = 2.11467178034793 |  erot = 2.32673436675181 | epot = -21.1123588667461 | etot = -16.6709527196463
-296000  ekin = 1.53087058859332 |  erot = 2.94008409149155 | epot = -21.2112197533847 | etot = -16.7402650732999
-297000  ekin = 2.52732986791198 |  erot = 2.18380855337859 | epot = -21.1955190508786 | etot = -16.484380629588
-298000  ekin = 1.89033945823198 |  erot = 2.02521913176 | epot = -21.2593750718295 | etot = -17.3438164818375
-299000  ekin = 1.87142873048437 |  erot = 1.66404563221549 | epot = -21.2919162310488 | etot = -17.7564418683489
-300000  ekin = 2.23872615546787 |  erot = 1.50807257618897 | epot = -21.3339204593826 | etot = -17.5871217277257
-301000  ekin = 1.99965506724557 |  erot = 2.00145094516844 | epot = -21.4707589194324 | etot = -17.4696529070184
-302000  ekin = 1.76370349732521 |  erot = 2.23787708901489 | epot = -21.5675275978257 | etot = -17.5659470114856
-303000  ekin = 2.69610887251788 |  erot = 1.69957221429741 | epot = -21.5563765448092 | etot = -17.1606954579939
-304000  ekin = 2.55447143501921 |  erot = 2.0206081309035 | epot = -21.5692327321341 | etot = -16.9941531662114
-305000  ekin = 2.38230604232717 |  erot = 2.31489374428113 | epot = -21.5335950166329 | etot = -16.8363952300246
-306000  ekin = 2.07785475765118 |  erot = 2.4523066068597 | epot = -21.4550895345846 | etot = -16.9249281700737
-307000  ekin = 3.17130424567277 |  erot = 3.29574614566805 | epot = -21.4151535289882 | etot = -14.9481031376474
-308000  ekin = 3.40959217051674 |  erot = 2.68389483402973 | epot = -21.4778643688409 | etot = -15.3843773642944
-309000  ekin = 2.36068264180092 |  erot = 2.91715332823342 | epot = -21.5794336507741 | etot = -16.3015976807397
-310000  ekin = 2.4995235722922 |  erot = 2.36028950896138 | epot = -21.5982142524176 | etot = -16.738401171164
-311000  ekin = 2.53288726180906 |  erot = 2.29596940545853 | epot = -21.6418553661546 | etot = -16.8129986988871
-312000  ekin = 2.05123272208704 |  erot = 2.92023923411837 | epot = -21.7377547517075 | etot = -16.7662827955021
-313000  ekin = 1.80834719374888 |  erot = 2.29357283142129 | epot = -21.7993116362532 | etot = -17.697391611083
-314000  ekin = 2.30684015099018 |  erot = 2.20859462712274 | epot = -21.8029398081388 | etot = -17.2875050300258
-315000  ekin = 1.86413924486173 |  erot = 2.14748794238474 | epot = -21.8550418960799 | etot = -17.8434147088334
-316000  ekin = 2.20558056533517 |  erot = 3.03447287931583 | epot = -21.8868412075708 | etot = -16.6467877629198
-317000  ekin = 2.4782093112548 |  erot = 3.56870099099488 | epot = -21.9902146748518 | etot = -15.9433043726021
-318000  ekin = 2.3658234380168 |  erot = 3.01887804681554 | epot = -22.1178732891163 | etot = -16.7331718042839
-319000  ekin = 2.40464629760757 |  erot = 3.15910789488742 | epot = -22.2289401281564 | etot = -16.6651859356614
-320000  ekin = 1.80206494109346 |  erot = 2.83527990295434 | epot = -22.3120263401861 | etot = -17.6746814961383
-321000  ekin = 2.91146951948762 |  erot = 2.25772268449839 | epot = -22.3029455835946 | etot = -17.1337533796086
-322000  ekin = 2.8226351296685 |  erot = 2.67950826833978 | epot = -22.3041650189947 | etot = -16.8020216209864
-323000  ekin = 2.067323568424 |  erot = 2.31975284775299 | epot = -22.3338840353559 | etot = -17.9468076191789
-324000  ekin = 2.6012747278288 |  erot = 2.58351861537748 | epot = -22.3215168526944 | etot = -17.1367235094881
-325000  ekin = 3.45560055552843 |  erot = 2.50162515355503 | epot = -22.1825527777624 | etot = -16.225327068679
-326000  ekin = 3.51422890604519 |  erot = 2.84426061018009 | epot = -22.0201095272525 | etot = -15.6616200110272
-327000  ekin = 2.63551490316293 |  erot = 2.20570805472231 | epot = -21.9384479867006 | etot = -17.0972250288154
-328000  ekin = 1.8043914440792 |  erot = 2.37599512200968 | epot = -21.8619803976419 | etot = -17.681593831553
-329000  ekin = 2.15766181563134 |  erot = 2.45286496267963 | epot = -21.8518523862112 | etot = -17.2413256079002
-330000  ekin = 1.8483425992464 |  erot = 2.03367429366602 | epot = -21.7684095252419 | etot = -17.8863926323295
-331000  ekin = 2.3531484336258 |  erot = 1.80165819621477 | epot = -21.7197009414848 | etot = -17.5648943116443
-332000  ekin = 1.67855936307207 |  erot = 2.53341219651313 | epot = -21.7336434355881 | etot = -17.5216718760029
-333000  ekin = 1.60376334688456 |  erot = 2.14058675025446 | epot = -21.835637958395 | etot = -18.091287861256
-334000  ekin = 2.26551990081779 |  erot = 2.62486254825419 | epot = -21.879497107847 | etot = -16.989114658775
-335000  ekin = 2.91208137486082 |  erot = 3.1105287045201 | epot = -21.9161692767172 | etot = -15.8935591973362
-336000  ekin = 2.73132973682385 |  erot = 2.56213100489406 | epot = -21.8312488568505 | etot = -16.5377881151326
-337000  ekin = 3.15411918141902 |  erot = 3.87512819831196 | epot = -21.9061152574783 | etot = -14.8768678777473
-338000  ekin = 2.33141760424507 |  erot = 2.1321194508968 | epot = -21.9137461112381 | etot = -17.4502090560962
-339000  ekin = 1.71915361945719 |  erot = 2.31270220754043 | epot = -21.904207477372 | etot = -17.8723516503744
-340000  ekin = 1.62199393011805 |  erot = 3.16990972384469 | epot = -21.8898233676232 | etot = -17.0979197136605
-341000  ekin = 1.71588704296646 |  erot = 3.17642860992461 | epot = -21.834555812815 | etot = -16.9422401599239
-342000  ekin = 1.82178091247658 |  erot = 2.58875985611026 | epot = -21.7161502950573 | etot = -17.3056095264705
-343000  ekin = 3.08559255942693 |  erot = 2.94813449265469 | epot = -21.7030445300997 | etot = -15.6693174780181
-344000  ekin = 2.95985387154985 |  erot = 3.11547515850353 | epot = -21.6815483295521 | etot = -15.6062192994987
-345000  ekin = 2.33428072266865 |  erot = 2.88044431283022 | epot = -21.6567075042344 | etot = -16.4419824687355
-346000  ekin = 2.02077664062698 |  erot = 3.45936833964703 | epot = -21.5877268821218 | etot = -16.1075819018478
-347000  ekin = 2.34924784800441 |  erot = 1.93056350805623 | epot = -21.4896151766055 | etot = -17.2098038205449
-348000  ekin = 2.79839267202794 |  erot = 2.79408776517964 | epot = -21.4682057474678 | etot = -15.8757253102603
-349000  ekin = 2.33820470114614 |  erot = 3.1296631867051 | epot = -21.5603039389199 | etot = -16.0924360510686
-350000  ekin = 2.22383234890832 |  erot = 2.38886870388012 | epot = -21.5375784703118 | etot = -16.9248774175233
-351000  ekin = 2.33329735253339 |  erot = 2.84447430695178 | epot = -21.5078106306152 | etot = -16.3300389711301
-352000  ekin = 2.74923373919408 |  erot = 2.76796181793624 | epot = -21.5537134920816 | etot = -16.0365179349513
-353000  ekin = 1.76111836153717 |  erot = 2.12255592617519 | epot = -21.5037017999956 | etot = -17.6200275122832
-354000  ekin = 2.29967358188085 |  erot = 2.37615363620184 | epot = -21.5592579778191 | etot = -16.8834307597364
-355000  ekin = 2.32956787601564 |  erot = 2.41406261152026 | epot = -21.5311925684017 | etot = -16.7875620808658
-356000  ekin = 2.99536507165417 |  erot = 3.01337867890171 | epot = -21.4612138261641 | etot = -15.4524700756082
-357000  ekin = 1.79487551861703 |  erot = 2.14781775756833 | epot = -21.4425100027869 | etot = -17.4998167266016
-358000  ekin = 2.06856992699964 |  erot = 1.9158505155371 | epot = -21.4597512525558 | etot = -17.475330810019
-359000  ekin = 2.03457633089973 |  erot = 2.13725650388115 | epot = -21.434584367242 | etot = -17.2627515324611
-360000  ekin = 2.64289898809605 |  erot = 2.45722294398597 | epot = -21.3798303659973 | etot = -16.2797084339153
-361000  ekin = 2.44681633772951 |  erot = 2.40323525392196 | epot = -21.4535746870958 | etot = -16.6035230954443
-362000  ekin = 2.27284400709389 |  erot = 2.04866562998476 | epot = -21.4444048899962 | etot = -17.1228952529175
-363000  ekin = 3.23945885057605 |  erot = 1.79247859381386 | epot = -21.4992698914106 | etot = -16.4673324470207
-364000  ekin = 3.01124200487831 |  erot = 2.1649586732171 | epot = -21.5330648567406 | etot = -16.3568641786452
-365000  ekin = 2.51472285580868 |  erot = 2.29864111879033 | epot = -21.6252096459669 | etot = -16.8118456713679
-366000  ekin = 2.59356655410023 |  erot = 2.21031948632572 | epot = -21.6397726115724 | etot = -16.8358865711464
-367000  ekin = 2.23422490605625 |  erot = 1.85375489374335 | epot = -21.7036464131407 | etot = -17.6156666133411
-368000  ekin = 2.47747707853681 |  erot = 2.36511710555107 | epot = -21.7442459693683 | etot = -16.9016517852804
-369000  ekin = 2.03854183495619 |  erot = 2.80790943599038 | epot = -21.829546112742 | etot = -16.9830948417954
-370000  ekin = 2.08495509326204 |  erot = 2.15717784784085 | epot = -21.8579547558589 | etot = -17.615821814756
-371000  ekin = 2.1649158804987 |  erot = 2.10731342711638 | epot = -21.750730287247 | etot = -17.4785009796319
-372000  ekin = 1.83416420958724 |  erot = 1.90082367490456 | epot = -21.678422472552 | etot = -17.9434345880602
-373000  ekin = 1.97176482573297 |  erot = 1.77796007890949 | epot = -21.6393712386779 | etot = -17.8896463340354
-374000  ekin = 2.89940710658304 |  erot = 1.91194262525379 | epot = -21.5337545453636 | etot = -16.7224048135268
-375000  ekin = 2.32339676163341 |  erot = 1.92362318361283 | epot = -21.4217091025191 | etot = -17.1746891572729
-376000  ekin = 2.59047552311153 |  erot = 2.32394149083979 | epot = -21.4139727856535 | etot = -16.4995557717022
-377000  ekin = 2.24598863840517 |  erot = 1.65770205797294 | epot = -21.3405339068233 | etot = -17.4368432104452
-378000  ekin = 2.38351514056703 |  erot = 2.54156262207209 | epot = -21.312238058745 | etot = -16.3871602961058
-379000  ekin = 2.08457212928957 |  erot = 2.11819645676888 | epot = -21.2663127721438 | etot = -17.0635441860853
-380000  ekin = 2.62168026009058 |  erot = 2.36576073073355 | epot = -21.2469701231192 | etot = -16.2595291322951
-381000  ekin = 2.42554871977308 |  erot = 2.21588725182519 | epot = -21.2594018196932 | etot = -16.6179658480949
-382000  ekin = 2.04454090532124 |  erot = 3.35199327879852 | epot = -21.3507561156205 | etot = -15.9542219315007
-383000  ekin = 2.57756769789844 |  erot = 1.58356833947094 | epot = -21.4206473136968 | etot = -17.2595112763274
-384000  ekin = 2.32411392435713 |  erot = 2.07034159075994 | epot = -21.4254017003271 | etot = -17.0309461852101
-385000  ekin = 1.93815279071873 |  erot = 3.2997037447625 | epot = -21.4993838182002 | etot = -16.261527282719
-386000  ekin = 2.10645704249443 |  erot = 2.94380940917573 | epot = -21.5050572923383 | etot = -16.4547908406682
-387000  ekin = 2.28625118399722 |  erot = 2.404880226949 | epot = -21.4350466670763 | etot = -16.7439152561301
-388000  ekin = 2.84183807689895 |  erot = 2.72440789072403 | epot = -21.4487672968481 | etot = -15.8825213292251
-389000  ekin = 3.39750799106374 |  erot = 3.08194517695387 | epot = -21.6559630447604 | etot = -15.1765098767428
-390000  ekin = 2.82211920760116 |  erot = 2.04880343622588 | epot = -21.7229608878359 | etot = -16.8520382440089
-391000  ekin = 2.25113345866117 |  erot = 2.45876014532078 | epot = -21.7793475672489 | etot = -17.0694539632669
-392000  ekin = 2.67779739921769 |  erot = 2.75278604715789 | epot = -21.9200377033299 | etot = -16.4894542569543
-393000  ekin = 2.07336639249413 |  erot = 1.66102921524043 | epot = -22.0500496423094 | etot = -18.3156540345749
-394000  ekin = 2.1138614951422 |  erot = 2.40654905841557 | epot = -22.0647062581753 | etot = -17.5442957046175
-395000  ekin = 2.46967791557608 |  erot = 2.46187607744979 | epot = -22.0113006362932 | etot = -17.0797466432673
-396000  ekin = 3.17858061422169 |  erot = 1.60030928107609 | epot = -21.9570022338793 | etot = -17.1781123385815
-397000  ekin = 2.37483507726777 |  erot = 2.17387816921976 | epot = -21.8769234701935 | etot = -17.328210223706
-398000  ekin = 2.29815779154462 |  erot = 2.20148627030488 | epot = -21.829364101453 | etot = -17.3297200396035
-399000  ekin = 2.66620669497936 |  erot = 2.78316441348842 | epot = -21.7420307764658 | etot = -16.292659667998
-400000  ekin = 1.8196142363994 |  erot = 2.77573291920479 | epot = -21.7225828560708 | etot = -17.1272357004667
-401000  ekin = 2.39347596566752 |  erot = 3.11237720134101 | epot = -21.7632198127752 | etot = -16.2573666457667
-402000  ekin = 4.0137909252526 |  erot = 3.58756310879364 | epot = -21.6952307126457 | etot = -14.0938766785994
-403000  ekin = 3.6423872335827 |  erot = 3.44210139074533 | epot = -21.6932224157204 | etot = -14.6087337913923
-404000  ekin = 2.52116102522202 |  erot = 2.99286839639892 | epot = -21.7395466120139 | etot = -16.225517190393
-405000  ekin = 2.80514548558626 |  erot = 3.0980722844015 | epot = -21.8096811205532 | etot = -15.9064633505654
-406000  ekin = 2.32696376764903 |  erot = 2.03572639782902 | epot = -21.9111381639249 | etot = -17.5484479984469
-407000  ekin = 2.33504128016395 |  erot = 1.91320949168965 | epot = -21.9359478399848 | etot = -17.6876970681312
-408000  ekin = 1.90942025822265 |  erot = 2.20375631379573 | epot = -21.9849314014528 | etot = -17.8717548294345
-409000  ekin = 1.98818542800297 |  erot = 1.95540808206523 | epot = -22.0378349759701 | etot = -18.0942414659019
-410000  ekin = 1.59823476401333 |  erot = 1.9127296785249 | epot = -22.0830507565097 | etot = -18.5720863139715
-411000  ekin = 1.87320182179615 |  erot = 2.46575148951075 | epot = -22.1911106440468 | etot = -17.8521573327399
-412000  ekin = 2.51909186028136 |  erot = 2.65534868642724 | epot = -22.2816800676061 | etot = -17.1072395208975
-413000  ekin = 2.80929435327117 |  erot = 3.19888285052217 | epot = -22.1907679968742 | etot = -16.1825907930808
-414000  ekin = 2.79014519733558 |  erot = 2.72515195410934 | epot = -22.144863024243 | etot = -16.6295658727981
-415000  ekin = 2.46789019087319 |  erot = 2.24891720770209 | epot = -22.1977268949426 | etot = -17.4809194963673
-416000  ekin = 3.30766536008866 |  erot = 1.55878918639506 | epot = -22.169487821356 | etot = -17.3030332748722
-417000  ekin = 3.95074944679108 |  erot = 2.44780201516575 | epot = -22.1018895242095 | etot = -15.7033380622527
-418000  ekin = 2.77340936693415 |  erot = 2.68993840817535 | epot = -21.9773275627671 | etot = -16.5139797876576
-419000  ekin = 2.38275203991916 |  erot = 2.97769109273477 | epot = -21.9010102007429 | etot = -16.540567068089
-420000  ekin = 1.80397709765343 |  erot = 1.82715488758969 | epot = -21.8849019003166 | etot = -18.2537699150735
-421000  ekin = 1.35294173647285 |  erot = 1.77463275951321 | epot = -21.8324727162455 | etot = -18.7048982202595
-422000  ekin = 1.39101035408781 |  erot = 2.74626781088313 | epot = -21.8922044238521 | etot = -17.7549262588812
-423000  ekin = 1.58313118355036 |  erot = 3.07988587276089 | epot = -21.9303489156376 | etot = -17.2673318593264
-424000  ekin = 2.38308976422852 |  erot = 2.0290563283423 | epot = -22.0003513420112 | etot = -17.5882052494404
-425000  ekin = 2.32292982636641 |  erot = 2.54472792699356 | epot = -22.0461884305753 | etot = -17.1785306772154
-426000  ekin = 2.07274921207621 |  erot = 3.12068562025982 | epot = -21.9899604929779 | etot = -16.7965256606419
-427000  ekin = 2.16499158921497 |  erot = 2.43609860560846 | epot = -21.883756502818 | etot = -17.2826663079946
-428000  ekin = 1.81001230881453 |  erot = 1.65184910311941 | epot = -21.8651168729134 | etot = -18.4032554609795
-429000  ekin = 1.67080799563552 |  erot = 2.5582900403394 | epot = -21.8232038220611 | etot = -17.5941057860861
-430000  ekin = 2.68658781224626 |  erot = 2.85919253371561 | epot = -21.8545360487503 | etot = -16.3087557027885
-431000  ekin = 2.77334901985547 |  erot = 1.57746917070685 | epot = -21.8360353910944 | etot = -17.485217200532
-432000  ekin = 2.50244674166433 |  erot = 1.60779258881598 | epot = -21.7381087453319 | etot = -17.6278694148516
-433000  ekin = 1.85649371322471 |  erot = 2.49173358917941 | epot = -21.7919912827364 | etot = -17.4437639803323
-434000  ekin = 2.89302367450633 |  erot = 2.79890045602689 | epot = -21.923157505168 | etot = -16.2312333746348
-435000  ekin = 3.67647442700573 |  erot = 1.38588132381276 | epot = -22.1019777057281 | etot = -17.0396219549096
-436000  ekin = 3.05510329104704 |  erot = 2.00142902882894 | epot = -22.1034257027066 | etot = -17.0468933828306
-437000  ekin = 3.2334117289381 |  erot = 1.78346855436479 | epot = -22.113702088725 | etot = -17.0968218054222
-438000  ekin = 2.86378458795302 |  erot = 1.84588842157478 | epot = -22.072414124752 | etot = -17.3627411152242
-439000  ekin = 2.41407153953135 |  erot = 2.70066632790347 | epot = -22.0535011599236 | etot = -16.9387632924888
-440000  ekin = 2.22110309163133 |  erot = 3.01674685818989 | epot = -22.0773629228072 | etot = -16.8395129729859
-441000  ekin = 2.8952003347941 |  erot = 2.87911130379515 | epot = -22.209849236351 | etot = -16.4355375977618
-442000  ekin = 2.05598301233623 |  erot = 1.73562369066665 | epot = -22.2689079268812 | etot = -18.4773012238783
-443000  ekin = 1.86650631344267 |  erot = 2.0081617804031 | epot = -22.3072964279924 | etot = -18.4326283341466
-444000  ekin = 2.06088560705618 |  erot = 2.15265011198711 | epot = -22.3186686701218 | etot = -18.1051329510785
-445000  ekin = 2.10029110633058 |  erot = 2.28003314051319 | epot = -22.3739249314238 | etot = -17.99360068458
-446000  ekin = 2.42121462246176 |  erot = 2.85365097104761 | epot = -22.4030820729313 | etot = -17.1282164794219
-447000  ekin = 2.19905370994783 |  erot = 2.98216231903377 | epot = -22.4760062523441 | etot = -17.2947902233625
-448000  ekin = 2.35344530580997 |  erot = 2.94496431571714 | epot = -22.4927466941726 | etot = -17.1943370726455
-449000  ekin = 2.39032460069844 |  erot = 2.92889137252359 | epot = -22.5027878081879 | etot = -17.1835718349658
-450000  ekin = 1.87543018481826 |  erot = 1.69603328668916 | epot = -22.4562462785528 | etot = -18.8847828070454
-451000  ekin = 2.01850498861612 |  erot = 1.92812989993405 | epot = -22.4817672986218 | etot = -18.5351324100716
-452000  ekin = 1.36652609658347 |  erot = 1.87105620810406 | epot = -22.4501755877893 | etot = -19.2125932831018
-453000  ekin = 2.0599225820261 |  erot = 2.56027964608565 | epot = -22.2765869721545 | etot = -17.6563847440428
-454000  ekin = 1.47421749728914 |  erot = 2.19120144206327 | epot = -22.1381671023588 | etot = -18.4727481630064
-455000  ekin = 1.65550022307771 |  erot = 2.72165814308169 | epot = -21.9904394751434 | etot = -17.613281108984
-456000  ekin = 2.34827062603187 |  erot = 2.00722438151076 | epot = -21.9105114729145 | etot = -17.5550164653719
-457000  ekin = 2.01338249991754 |  erot = 2.37170378033694 | epot = -21.8819790372449 | etot = -17.4968927569905
-458000  ekin = 1.72815421955305 |  erot = 2.26329746701053 | epot = -21.9116044050661 | etot = -17.9201527185025
-459000  ekin = 2.48347398227003 |  erot = 2.3237619692994 | epot = -21.9949404038569 | etot = -17.1877044522874
-460000  ekin = 2.18770854699575 |  erot = 2.0008166291832 | epot = -21.9585322440376 | etot = -17.7700070678586
-461000  ekin = 2.27716435663744 |  erot = 2.90195656269069 | epot = -21.887768217766 | etot = -16.7086472984378
-462000  ekin = 2.61244889701714 |  erot = 1.79757533309513 | epot = -21.9143949779913 | etot = -17.504370747879
-463000  ekin = 2.55684814656524 |  erot = 3.31200610027657 | epot = -21.8497749242034 | etot = -15.9809206773616
-464000  ekin = 2.15312235839157 |  erot = 2.38947690136821 | epot = -21.7825241097984 | etot = -17.2399248500386
-465000  ekin = 2.5257577253008 |  erot = 3.61331808321477 | epot = -21.70727052519 | etot = -15.5681947166744
-466000  ekin = 1.97943618964772 |  erot = 2.8868852833762 | epot = -21.7222514097775 | etot = -16.8559299367535
-467000  ekin = 1.62882257493983 |  erot = 2.60892282315519 | epot = -21.8080861041928 | etot = -17.5703407060978
-468000  ekin = 1.09823854644375 |  erot = 3.35073251937297 | epot = -21.852381101233 | etot = -17.4034100354163
-469000  ekin = 1.70229597385131 |  erot = 2.75889840726388 | epot = -21.8665756757502 | etot = -17.4053812946351
-470000  ekin = 1.85844768422772 |  erot = 2.87065462176252 | epot = -21.9036130079377 | etot = -17.1745107019474
-471000  ekin = 2.74399539924327 |  erot = 2.3494335495508 | epot = -21.954398971724 | etot = -16.8609700229299
-472000  ekin = 2.7182617922689 |  erot = 2.13581917182001 | epot = -22.0449294707038 | etot = -17.1908485066149
-473000  ekin = 2.29380642077303 |  erot = 2.07595163501545 | epot = -22.0706135180041 | etot = -17.7008554622156
-474000  ekin = 2.22690782122655 |  erot = 2.16470599013947 | epot = -22.0704871162387 | etot = -17.6788733048726
-475000  ekin = 2.49786795333289 |  erot = 2.09510196885222 | epot = -22.0509742163569 | etot = -17.4580042941718
-476000  ekin = 2.20264299239668 |  erot = 1.76757923556401 | epot = -21.9427521555982 | etot = -17.9725299276376
-477000  ekin = 2.45872237399503 |  erot = 2.38426997478538 | epot = -21.9051474088983 | etot = -17.0621550601179
-478000  ekin = 1.8990596403089 |  erot = 2.04864356713722 | epot = -21.9114508304737 | etot = -17.9637476230276
-479000  ekin = 2.27133902137491 |  erot = 3.08755197682257 | epot = -21.8872829373266 | etot = -16.5283919391291
-480000  ekin = 1.67015605151468 |  erot = 2.76560365045836 | epot = -21.8968158425889 | etot = -17.4610561406159
-481000  ekin = 1.81882995680353 |  erot = 2.94136105971067 | epot = -21.8571304925408 | etot = -17.0969394760266
-482000  ekin = 2.15305069632652 |  erot = 2.07327897823919 | epot = -21.8152992914386 | etot = -17.5889696168728
-483000  ekin = 1.50004535981758 |  erot = 1.99364343935403 | epot = -21.7843644990947 | etot = -18.2906756999231
-484000  ekin = 1.85234844255529 |  erot = 2.34000231202781 | epot = -21.8614293841666 | etot = -17.6690786295835
-485000  ekin = 1.64682178328831 |  erot = 2.50437862576679 | epot = -21.8969405008956 | etot = -17.7457400918405
-486000  ekin = 1.86104257115938 |  erot = 2.15995925522772 | epot = -21.8879397421696 | etot = -17.8669379157825
-487000  ekin = 2.34639026339217 |  erot = 3.11622773972822 | epot = -21.9707194220383 | etot = -16.5081014189179
-488000  ekin = 2.27484994031488 |  erot = 3.28147617368226 | epot = -21.9426475486812 | etot = -16.3863214346841
-489000  ekin = 2.38811933287365 |  erot = 2.56070014238266 | epot = -21.860086116809 | etot = -16.9112666415526
-490000  ekin = 2.12976254880773 |  erot = 3.54525746010285 | epot = -21.7617637919249 | etot = -16.0867437830143
-491000  ekin = 2.20850764560417 |  erot = 2.48919239454316 | epot = -21.6468680069132 | etot = -16.9491679667659
-492000  ekin = 2.43957739853024 |  erot = 2.76323186690379 | epot = -21.6230951653169 | etot = -16.4202858998828
-493000  ekin = 1.79391622496105 |  erot = 2.29052518470038 | epot = -21.6945975278841 | etot = -17.6101561182227
-494000  ekin = 2.11542949642227 |  erot = 3.0131386587248 | epot = -21.763700447204 | etot = -16.6351322920569
-495000  ekin = 2.1568591957283 |  erot = 2.49005677705244 | epot = -21.8783556810054 | etot = -17.2314397082246
-496000  ekin = 2.06037552826019 |  erot = 2.60698629104701 | epot = -21.9276220332962 | etot = -17.260260213989
-497000  ekin = 2.52228141248763 |  erot = 1.71013019276801 | epot = -21.8769629373864 | etot = -17.6445513321308
-498000  ekin = 2.1539450080541 |  erot = 1.78777085700021 | epot = -21.8243748366057 | etot = -17.8826589715514
-499000  ekin = 3.01296343053107 |  erot = 1.73934813146709 | epot = -21.839263268044 | etot = -17.0869517060458
-500000  ekin = 2.76642119718551 |  erot = 2.50182215373005 | epot = -21.830671988603 | etot = -16.5624286376875
-501000  ekin = 2.69367571720338 |  erot = 2.99042817784737 | epot = -21.7039103667138 | etot = -16.0198064716631
-502000  ekin = 1.91666556639458 |  erot = 3.89815239299715 | epot = -21.5845300715443 | etot = -15.7697121121526
-503000  ekin = 1.80513448090425 |  erot = 2.94463129244924 | epot = -21.408846856306 | etot = -16.6590810829525
-504000  ekin = 1.70082883689617 |  erot = 3.04312463877849 | epot = -21.3315058298564 | etot = -16.5875523541817
-505000  ekin = 2.75953000022913 |  erot = 2.14635942194521 | epot = -21.3525103549444 | etot = -16.4466209327701
-506000  ekin = 2.29728093923375 |  erot = 2.04403144683578 | epot = -21.3794572010067 | etot = -17.0381448149372
-507000  ekin = 3.17636857959624 |  erot = 2.42164349794528 | epot = -21.4731108320935 | etot = -15.875098754552
-508000  ekin = 2.53590109429522 |  erot = 2.52790695399207 | epot = -21.6300410847597 | etot = -16.5662330364724
-509000  ekin = 2.12748393236721 |  erot = 2.83071060777934 | epot = -21.7781347526393 | etot = -16.8199402124928
-510000  ekin = 2.16138023827908 |  erot = 1.44739524871433 | epot = -21.8661383228762 | etot = -18.2573628358828
-511000  ekin = 2.5432337386743 |  erot = 2.77108674378181 | epot = -21.9670096484362 | etot = -16.6526891659801
-512000  ekin = 2.32820226144234 |  erot = 2.80424931634042 | epot = -22.0177071813426 | etot = -16.8852556035598
-513000  ekin = 2.47700215188742 |  erot = 2.17127792631491 | epot = -22.0110285387344 | etot = -17.362748460532
-514000  ekin = 2.76651136580705 |  erot = 2.55680467976048 | epot = -22.0909970005814 | etot = -16.7676809550139
-515000  ekin = 2.52023319653878 |  erot = 1.82499891391155 | epot = -22.1712715169566 | etot = -17.8260394065063
-516000  ekin = 2.81741012640847 |  erot = 2.22255273815334 | epot = -22.2621950124767 | etot = -17.2222321479149
-517000  ekin = 2.03287831599843 |  erot = 2.04932227860396 | epot = -22.2794486174447 | etot = -18.1972480228424
-518000  ekin = 2.18753527424292 |  erot = 2.76011341951325 | epot = -22.2667176836094 | etot = -17.3190689898532
-519000  ekin = 2.23127004412532 |  erot = 2.23036422155451 | epot = -22.3641437250362 | etot = -17.9025094593563
-520000  ekin = 1.88835704965194 |  erot = 2.20137678015022 | epot = -22.4547788180202 | etot = -18.365044988218
-521000  ekin = 2.57911594310158 |  erot = 1.87216207270883 | epot = -22.6071563154982 | etot = -18.1558782996878
-522000  ekin = 3.47551915105823 |  erot = 1.7762374523623 | epot = -22.6852629490162 | etot = -17.4335063455957
-523000  ekin = 2.84545293485784 |  erot = 2.47507537559666 | epot = -22.727728352182 | etot = -17.4072000417275
-524000  ekin = 2.40278895519472 |  erot = 2.37529684497555 | epot = -22.6643160930412 | etot = -17.8862302928709
-525000  ekin = 1.5950703357501 |  erot = 2.61508341973267 | epot = -22.5633164974796 | etot = -18.3531627419969
-526000  ekin = 1.67007684014044 |  erot = 1.59545284095806 | epot = -22.5113199784161 | etot = -19.2457902973176
-527000  ekin = 2.19667533945248 |  erot = 1.93330231246751 | epot = -22.4181345854018 | etot = -18.2881569334818
-528000  ekin = 2.6386695788743 |  erot = 2.84200507572114 | epot = -22.4271496272375 | etot = -16.9464749726421
-529000  ekin = 2.71685924097596 |  erot = 3.01195511036349 | epot = -22.4607209136928 | etot = -16.7319065623534
-530000  ekin = 2.59646038482582 |  erot = 2.13176928192349 | epot = -22.3209630404852 | etot = -17.5927333737359
-531000  ekin = 2.96818211550215 |  erot = 2.3583690601903 | epot = -22.2240561584029 | etot = -16.8975049827104
-532000  ekin = 2.54400448114086 |  erot = 2.3226642368829 | epot = -22.2383323718679 | etot = -17.3716636538441
-533000  ekin = 2.47235456553947 |  erot = 2.96337386592411 | epot = -22.2434312615742 | etot = -16.8077028301106
-534000  ekin = 2.104894788263 |  erot = 2.0389464069744 | epot = -22.2624131617689 | etot = -18.1185719665315
-535000  ekin = 3.76811893478762 |  erot = 2.64694643296528 | epot = -22.2342741399369 | etot = -15.819208772184
-536000  ekin = 2.78932048770647 |  erot = 1.95046774407585 | epot = -22.1710588414063 | etot = -17.4312706096239
-537000  ekin = 2.84547413963847 |  erot = 2.6235440651257 | epot = -22.0792539675812 | etot = -16.6102357628171
-538000  ekin = 2.67615418297319 |  erot = 2.08962546790894 | epot = -21.9560559397442 | etot = -17.1902762888621
-539000  ekin = 2.73041224389434 |  erot = 2.35761678189143 | epot = -22.0360310245606 | etot = -16.9480019987748
-540000  ekin = 2.45513520817503 |  erot = 2.49807124796168 | epot = -22.1997448500024 | etot = -17.2465383938656
-541000  ekin = 3.48268229748521 |  erot = 2.77797330372247 | epot = -22.2939060084685 | etot = -16.0332504072608
-542000  ekin = 2.48960436886327 |  erot = 2.87332479229811 | epot = -22.3004887690915 | etot = -16.9375596079301
-543000  ekin = 2.34699181381528 |  erot = 2.86167842257192 | epot = -22.3027783678197 | etot = -17.0941081314325
-544000  ekin = 2.22918134297117 |  erot = 1.46827924617161 | epot = -22.2757921511235 | etot = -18.5783315619807
-545000  ekin = 2.45393652663684 |  erot = 2.14178562937396 | epot = -22.2696521197313 | etot = -17.6739299637205
-546000  ekin = 1.98434977645848 |  erot = 2.2414409311316 | epot = -22.232171992891 | etot = -18.0063812853009
-547000  ekin = 2.5623035019647 |  erot = 1.89574625912019 | epot = -22.2013923967025 | etot = -17.7433426356176
-548000  ekin = 1.72907614338158 |  erot = 1.64127030305736 | epot = -22.1897325934373 | etot = -18.8193861469984
-549000  ekin = 1.95696682165778 |  erot = 2.6453998894305 | epot = -22.3281210018679 | etot = -17.7257542907796
-550000  ekin = 1.80672944936439 |  erot = 1.58554489058936 | epot = -22.4379557312283 | etot = -19.0456813912745
-551000  ekin = 2.19785864069662 |  erot = 2.26344341600384 | epot = -22.4944444264338 | etot = -18.0331423697333
-552000  ekin = 2.07444252867401 |  erot = 2.49246441473271 | epot = -22.5313734934249 | etot = -17.9644665500182
-553000  ekin = 2.94841939583914 |  erot = 2.12309786300738 | epot = -22.5870982488507 | etot = -17.5155809900042
-554000  ekin = 2.86687820100223 |  erot = 1.94287298381727 | epot = -22.755332978123 | etot = -17.9455817933035
-555000  ekin = 2.43102414091851 |  erot = 2.28708167460998 | epot = -22.8409516497234 | etot = -18.1228458341949
-556000  ekin = 2.31020008885682 |  erot = 2.55815314755914 | epot = -22.8777743355339 | etot = -18.0094210991179
-557000  ekin = 2.81359485404958 |  erot = 1.42586137655668 | epot = -22.93912738 | etot = -18.6996711493937
-558000  ekin = 2.79709708533549 |  erot = 1.99545051650403 | epot = -22.9823826800611 | etot = -18.1898350782216
-559000  ekin = 3.34842854089642 |  erot = 2.30939572175804 | epot = -23.0558646505447 | etot = -17.3980403878903
-560000  ekin = 3.12583165184862 |  erot = 2.33613566970362 | epot = -23.0537007225862 | etot = -17.591733401034
-561000  ekin = 2.91276096736789 |  erot = 2.07459481236914 | epot = -22.9822607654341 | etot = -17.994904985697
-562000  ekin = 3.33017095598493 |  erot = 2.52215992853225 | epot = -22.8889363116258 | etot = -17.0366054271086
-563000  ekin = 2.70200701416854 |  erot = 1.64770113379201 | epot = -22.8712722594835 | etot = -18.521564111523
-564000  ekin = 2.82953631474814 |  erot = 2.52900560163794 | epot = -22.8387855460795 | etot = -17.4802436296934
-565000  ekin = 2.6799988891771 |  erot = 2.05091800967452 | epot = -22.7937507048715 | etot = -18.0628338060199
-566000  ekin = 2.32986557500305 |  erot = 2.16379904557211 | epot = -22.8028233873669 | etot = -18.3091587667918
-567000  ekin = 1.92319601586312 |  erot = 2.83258522428556 | epot = -22.7588270107034 | etot = -18.0030457705547
-568000  ekin = 2.1767237164987 |  erot = 2.23391201707385 | epot = -22.7857243432792 | etot = -18.3750886097067
-569000  ekin = 2.44197408396629 |  erot = 2.65159536305571 | epot = -22.7197314796375 | etot = -17.6261620326155
-570000  ekin = 2.4317740620905 |  erot = 1.89764945519459 | epot = -22.6963472615905 | etot = -18.3669237443054
-571000  ekin = 2.86160521289846 |  erot = 2.96804382024775 | epot = -22.6961835038032 | etot = -16.866534470657
-572000  ekin = 1.92662919536386 |  erot = 3.79135909534691 | epot = -22.6587081618988 | etot = -16.9407198711881
-573000  ekin = 2.40137439242945 |  erot = 2.29982613356341 | epot = -22.6365074046859 | etot = -17.9353068786931
-574000  ekin = 1.68882589350908 |  erot = 2.32097404492489 | epot = -22.6783832960446 | etot = -18.6685833576106
-575000  ekin = 1.85490665091732 |  erot = 1.85640808911424 | epot = -22.7444448136904 | etot = -19.0331300736589
-576000  ekin = 3.24775679594035 |  erot = 2.95569268214308 | epot = -22.6991990620438 | etot = -16.4957495839604
-577000  ekin = 2.89423151645282 |  erot = 2.87486712706735 | epot = -22.6284365608021 | etot = -16.8593379172819
-578000  ekin = 2.40460916677569 |  erot = 2.78216711024699 | epot = -22.4348874817266 | etot = -17.2481112047039
-579000  ekin = 2.40580528046575 |  erot = 1.99557814482531 | epot = -22.2889136736671 | etot = -17.887530248376
-580000  ekin = 2.69817090358905 |  erot = 1.94741864170503 | epot = -22.1754486864787 | etot = -17.5298591411846
-581000  ekin = 2.06309668646281 |  erot = 2.97621367011722 | epot = -22.0670098600828 | etot = -17.0276995035028
-582000  ekin = 2.33869527454826 |  erot = 3.07898324506954 | epot = -21.9478320300714 | etot = -16.5301535104536
-583000  ekin = 2.23428959741492 |  erot = 2.6847669308886 | epot = -21.837983720672 | etot = -16.9189271923685
-584000  ekin = 2.94321016295283 |  erot = 2.59995039730547 | epot = -21.7517635625832 | etot = -16.2086030023249
-585000  ekin = 2.36063475490837 |  erot = 2.49112677628936 | epot = -21.7173359488816 | etot = -16.8655744176839
-586000  ekin = 3.56583702163526 |  erot = 2.02487858259688 | epot = -21.7707868137139 | etot = -16.1800712094817
-587000  ekin = 3.53727585853246 |  erot = 1.97258932652023 | epot = -21.7665121756112 | etot = -16.2566469905585
-588000  ekin = 2.82339556293759 |  erot = 1.59340504807045 | epot = -21.7545319340973 | etot = -17.3377313230892
-589000  ekin = 2.31627310139819 |  erot = 2.20582604523296 | epot = -21.8199173705564 | etot = -17.2978182239252
-590000  ekin = 2.57616671531331 |  erot = 1.72768273328209 | epot = -21.8427138199643 | etot = -17.5388643713689
-591000  ekin = 1.91473306171853 |  erot = 3.80604384238378 | epot = -21.9351393124188 | etot = -16.2143624083165
-592000  ekin = 2.11222958764659 |  erot = 2.84208333850203 | epot = -21.9639458839076 | etot = -17.009632957759
-593000  ekin = 1.66462149590471 |  erot = 2.46217253451013 | epot = -21.9921445323972 | etot = -17.8653505019823
-594000  ekin = 1.86314045588477 |  erot = 2.37275936142266 | epot = -22.1149191228505 | etot = -17.8790193055431
-595000  ekin = 1.6397125755004 |  erot = 2.1497024679856 | epot = -22.2960530768755 | etot = -18.5066380333895
-596000  ekin = 1.86247376576131 |  erot = 1.56938095427868 | epot = -22.4014957466218 | etot = -18.9696410265818
-597000  ekin = 2.21073901406701 |  erot = 2.3087175693751 | epot = -22.4599242604733 | etot = -17.9404676770312
-598000  ekin = 1.8660134932493 |  erot = 3.0231172739981 | epot = -22.5165298316334 | etot = -17.627399064386
-599000  ekin = 2.86271635930755 |  erot = 2.19928854437227 | epot = -22.536599708025 | etot = -17.4745948043452
-600000  ekin = 2.65062163067179 |  erot = 2.14533898812783 | epot = -22.4620537969304 | etot = -17.6660931781308
-601000  ekin = 2.97018864875202 |  erot = 3.19824090103877 | epot = -22.3271949752462 | etot = -16.1587654254554
-602000  ekin = 2.93416893709002 |  erot = 2.68627449040959 | epot = -22.2245183728174 | etot = -16.6040749453178
-603000  ekin = 2.5987545006459 |  erot = 2.71301833029982 | epot = -22.1705323477201 | etot = -16.8587595167744
-604000  ekin = 1.79059859762798 |  erot = 2.11515305424794 | epot = -22.1931056020218 | etot = -18.2873539501458
-605000  ekin = 1.82914051863723 |  erot = 2.27656979248767 | epot = -22.2183915784731 | etot = -18.1126812673482
-606000  ekin = 2.33864125390346 |  erot = 2.20416493777799 | epot = -22.1617656383863 | etot = -17.6189594467049
-607000  ekin = 2.72666217259877 |  erot = 2.97710334336214 | epot = -22.1572786906588 | etot = -16.4535131746979
-608000  ekin = 2.45226937954678 |  erot = 2.41232790919958 | epot = -22.1263051367365 | etot = -17.2617078479901
-609000  ekin = 1.91032127854288 |  erot = 2.62712516529569 | epot = -22.0127581830193 | etot = -17.4753117391808
-610000  ekin = 3.01319055031108 |  erot = 2.17098104720966 | epot = -21.9304996298691 | etot = -16.7463280323483
-611000  ekin = 2.44410994437292 |  erot = 2.75159061185423 | epot = -21.9258193850469 | etot = -16.7301188288197
-612000  ekin = 2.50271115837173 |  erot = 2.1681764069217 | epot = -21.9676183236646 | etot = -17.2967307583711
-613000  ekin = 3.01842230632867 |  erot = 2.12784419676568 | epot = -22.0277467117808 | etot = -16.8814802086865
-614000  ekin = 2.25331711369829 |  erot = 2.99334048390158 | epot = -22.0701464667308 | etot = -16.8234888691309
-615000  ekin = 1.66376443031995 |  erot = 2.63613776051568 | epot = -21.9985978951917 | etot = -17.6986957043561
-616000  ekin = 1.89454248699047 |  erot = 2.8731835516953 | epot = -22.0041678369047 | etot = -17.2364417982189
-617000  ekin = 2.14789714287838 |  erot = 2.51249074123956 | epot = -22.0251474680605 | etot = -17.3647595839426
-618000  ekin = 3.11174934178843 |  erot = 2.74374306269143 | epot = -21.980284295602 | etot = -16.1247918911222
-619000  ekin = 3.41036213968179 |  erot = 2.1061679415973 | epot = -21.9557959924962 | etot = -16.4392659112171
-620000  ekin = 4.28430989238204 |  erot = 2.19572475327592 | epot = -21.9033881020935 | etot = -15.4233534564355
-621000  ekin = 3.095687767491 |  erot = 2.55794040804606 | epot = -21.8286763731364 | etot = -16.1750481975993
-622000  ekin = 2.76030419206698 |  erot = 2.60754397958252 | epot = -21.7459002641758 | etot = -16.3780520925263
-623000  ekin = 2.87269212022169 |  erot = 2.9040131195019 | epot = -21.5853226709315 | etot = -15.8086174312079
-624000  ekin = 2.01889500087931 |  erot = 3.41825755609796 | epot = -21.4095311686243 | etot = -15.972378611647
-625000  ekin = 2.87966631754696 |  erot = 2.69115421564282 | epot = -21.2859406043045 | etot = -15.7151200711148
-626000  ekin = 2.56087279949319 |  erot = 2.15801254335176 | epot = -21.2329175358056 | etot = -16.5140321929606
-627000  ekin = 2.30197939613517 |  erot = 2.40176668957967 | epot = -21.2932794652839 | etot = -16.589533379569
-628000  ekin = 2.23988628353727 |  erot = 2.75332535542197 | epot = -21.4558642198861 | etot = -16.4626525809268
-629000  ekin = 2.20891060851903 |  erot = 1.97036896055006 | epot = -21.6109313731644 | etot = -17.4316518040953
-630000  ekin = 2.48711004105953 |  erot = 2.14055508379567 | epot = -21.6286281269545 | etot = -17.0009630020993
-631000  ekin = 2.05035510102044 |  erot = 1.7851913104256 | epot = -21.633635046353 | etot = -17.798088634907
-632000  ekin = 1.65439924450982 |  erot = 3.28310987077495 | epot = -21.6999899301469 | etot = -16.7624808148621
-633000  ekin = 2.3465798853121 |  erot = 2.34109631044867 | epot = -21.8317647703271 | etot = -17.1440885745664
-634000  ekin = 2.31570267703931 |  erot = 2.47129317382499 | epot = -21.8814211467029 | etot = -17.0944252958386
-635000  ekin = 1.99068848818427 |  erot = 3.35493927676214 | epot = -21.9111632351734 | etot = -16.565535470227
-636000  ekin = 2.50156763858618 |  erot = 2.48847742334417 | epot = -21.8752689055208 | etot = -16.8852238435905
-637000  ekin = 2.76558055064046 |  erot = 2.80410341825292 | epot = -21.7874464522771 | etot = -16.2177624833838
-638000  ekin = 2.45488734924466 |  erot = 2.81516363335623 | epot = -21.8973623385979 | etot = -16.627311355997
-639000  ekin = 1.89221088715375 |  erot = 2.13319565970053 | epot = -21.932098303477 | etot = -17.9066917566227
-640000  ekin = 2.12173400886946 |  erot = 3.32302167857402 | epot = -21.8808288554835 | etot = -16.4360731680401
-641000  ekin = 2.09554541112561 |  erot = 2.23098450754964 | epot = -21.9203390995502 | etot = -17.5938091808749
-642000  ekin = 2.28696138506763 |  erot = 2.67378976619349 | epot = -21.9723604262128 | etot = -17.0116092749516
-643000  ekin = 2.74450005384909 |  erot = 2.20403941809546 | epot = -21.9235240791533 | etot = -16.9749846072088
-644000  ekin = 2.87909523138454 |  erot = 3.40688779630213 | epot = -21.9417833997401 | etot = -15.6558003720534
-645000  ekin = 2.38284095628021 |  erot = 2.10846397463902 | epot = -21.8306349073152 | etot = -17.3393299763959
-646000  ekin = 2.68568471833194 |  erot = 1.8085210536706 | epot = -21.6853054888873 | etot = -17.1910997168848
-647000  ekin = 2.44462012552757 |  erot = 2.00446720103469 | epot = -21.497463529291 | etot = -17.0483762027288
-648000  ekin = 2.2215075315945 |  erot = 1.69679185313771 | epot = -21.5947311257684 | etot = -17.6764317410362
-649000  ekin = 2.55943952639506 |  erot = 1.77203724563613 | epot = -22.016770390185 | etot = -17.6852936181538
-650000  ekin = 2.7234725572106 |  erot = 2.20418229003753 | epot = -22.1594214535889 | etot = -17.2317666063407
-651000  ekin = 2.25383373914402 |  erot = 3.26326768595797 | epot = -22.2274805933885 | etot = -16.7103791682865
-652000  ekin = 2.35810253390822 |  erot = 2.29591208392315 | epot = -22.233219519731 | etot = -17.5792049018997
-653000  ekin = 2.06421004499471 |  erot = 2.14171845474572 | epot = -22.2265612208312 | etot = -18.0206327210908
-654000  ekin = 2.30460304373657 |  erot = 1.85567946278893 | epot = -22.2521914868227 | etot = -18.0919089802972
-655000  ekin = 2.1118882401511 |  erot = 1.79072614414006 | epot = -22.2262193909715 | etot = -18.3236050066803
-656000  ekin = 2.44561836830366 |  erot = 2.32567811025773 | epot = -22.1872376286341 | etot = -17.4159411500727
-657000  ekin = 2.45751083141107 |  erot = 2.86439216413735 | epot = -22.1805503246548 | etot = -16.8586473291064
-658000  ekin = 2.49955432693123 |  erot = 2.85472680235228 | epot = -22.1390040132353 | etot = -16.7847228839518
-659000  ekin = 3.37980090980362 |  erot = 2.77552992994232 | epot = -21.9898923341708 | etot = -15.8345614944249
-660000  ekin = 2.69414626219179 |  erot = 1.99094454704573 | epot = -21.839770569098 | etot = -17.1546797598605
-661000  ekin = 2.21049176877593 |  erot = 2.52393650500607 | epot = -21.6857326790216 | etot = -16.9513044052396
-662000  ekin = 2.06962867519899 |  erot = 2.53976085175021 | epot = -21.6239147287107 | etot = -17.0145252017615
-663000  ekin = 2.27770295544224 |  erot = 2.30124717941156 | epot = -21.5870186127932 | etot = -17.0080684779394
-664000  ekin = 2.39061717453215 |  erot = 1.87616423363737 | epot = -21.4930500427881 | etot = -17.2262686346186
-665000  ekin = 2.6692440512318 |  erot = 2.29240983153228 | epot = -21.4402310096657 | etot = -16.4785771269016
-666000  ekin = 1.66318176263893 |  erot = 2.30827907651665 | epot = -21.3477804932103 | etot = -17.3763196540547
-667000  ekin = 1.65573830146343 |  erot = 2.82613611933529 | epot = -21.2651811028886 | etot = -16.7833066820899
-668000  ekin = 2.50126196238916 |  erot = 3.29062396521938 | epot = -21.1310768281354 | etot = -15.3391909005268
-669000  ekin = 1.61008562219097 |  erot = 2.65727107854379 | epot = -21.0513800034041 | etot = -16.7840233026694
-670000  ekin = 2.21851826153845 |  erot = 2.60770568109394 | epot = -20.9727942140714 | etot = -16.146570271439
-671000  ekin = 2.25905318343359 |  erot = 2.1596549557503 | epot = -20.920836534986 | etot = -16.5021283958021
-672000  ekin = 1.93426342346647 |  erot = 1.6536504766844 | epot = -20.8333028169839 | etot = -17.245388916833
-673000  ekin = 1.880896686753 |  erot = 2.07483128120026 | epot = -20.79952620348 | etot = -16.8437982355267
-674000  ekin = 2.067834680573 |  erot = 2.16234064938725 | epot = -20.8176950919606 | etot = -16.5875197620003
-675000  ekin = 2.03952283590142 |  erot = 2.48129689359269 | epot = -20.8297865902612 | etot = -16.3089668607671
-676000  ekin = 2.44687523374789 |  erot = 2.7793299573525 | epot = -20.8513819036484 | etot = -15.625176712548
-677000  ekin = 2.18851088067448 |  erot = 2.6192892566419 | epot = -20.8589021998564 | etot = -16.0511020625401
-678000  ekin = 2.13451298865477 |  erot = 2.78742961560772 | epot = -20.7380850837789 | etot = -15.8161424795164
-679000  ekin = 2.15556981522704 |  erot = 2.17593910434841 | epot = -20.629255081746 | etot = -16.2977461621705
-680000  ekin = 2.0771745141444 |  erot = 2.6843689719881 | epot = -20.6512705044544 | etot = -15.8897270183219
-681000  ekin = 2.16836766753576 |  erot = 1.82666294843077 | epot = -20.7392652191905 | etot = -16.744234603224
-682000  ekin = 3.01810965188602 |  erot = 2.39774897550359 | epot = -20.7185667085479 | etot = -15.3027080811583
-683000  ekin = 2.84169666492798 |  erot = 2.09885122074905 | epot = -20.7261705834807 | etot = -15.7856226978037
-684000  ekin = 1.9625035286937 |  erot = 2.99543980855399 | epot = -20.769704567373 | etot = -15.8117612301253
-685000  ekin = 1.50086016290167 |  erot = 2.0447864872958 | epot = -20.778895252848 | etot = -17.2332486026506
-686000  ekin = 2.3009298353038 |  erot = 2.55442118756325 | epot = -20.7673358731011 | etot = -15.911984850234
-687000  ekin = 1.86053862979302 |  erot = 2.84846934037481 | epot = -20.7009117540897 | etot = -15.9919037839219
-688000  ekin = 2.56859020075851 |  erot = 2.23263295871677 | epot = -20.6563366249256 | etot = -15.8551134654503
-689000  ekin = 2.74930141700633 |  erot = 2.68327386026118 | epot = -20.8092642099637 | etot = -15.3766889326962
-690000  ekin = 2.674773108413 |  erot = 2.52397256899153 | epot = -21.073030341665 | etot = -15.8742846642604
-691000  ekin = 2.28465281003007 |  erot = 2.52273866559282 | epot = -21.2401157605126 | etot = -16.4327242848898
-692000  ekin = 2.42087744380445 |  erot = 3.24812320332688 | epot = -21.2665776826931 | etot = -15.5975770355618
-693000  ekin = 2.37642605279042 |  erot = 2.99546830568891 | epot = -21.3330277418611 | etot = -15.9611333833818
-694000  ekin = 2.69750178365982 |  erot = 2.53085866970818 | epot = -21.521485598392 | etot = -16.293125145024
-695000  ekin = 2.49230316198816 |  erot = 1.1810586448532 | epot = -21.6959912399269 | etot = -18.0226294330855
-696000  ekin = 1.86075498586632 |  erot = 1.46501529683134 | epot = -21.6808441671222 | etot = -18.3550738844245
-697000  ekin = 2.40460770445907 |  erot = 2.10461647488794 | epot = -21.7143559347048 | etot = -17.2051317553578
-698000  ekin = 2.32098148261584 |  erot = 1.91506962097516 | epot = -21.7787361369849 | etot = -17.5426850333939
-699000  ekin = 2.44943497732061 |  erot = 2.56143482106644 | epot = -21.7638026578475 | etot = -16.7529328594605
-700000  ekin = 2.13119890669415 |  erot = 2.28802336161954 | epot = -21.6714710604343 | etot = -17.2522487921206
-701000  ekin = 2.15013169314239 |  erot = 2.18565847708909 | epot = -21.5488216255628 | etot = -17.2130314553313
-702000  ekin = 1.57482438035702 |  erot = 1.99931097090509 | epot = -21.5047640382371 | etot = -17.930628686975
-703000  ekin = 2.08829522236785 |  erot = 2.17557396869524 | epot = -21.5242713758433 | etot = -17.2604021847802
-704000  ekin = 2.82144699483838 |  erot = 1.94479401958833 | epot = -21.5462466947694 | etot = -16.7800056803427
-705000  ekin = 2.8101978674582 |  erot = 2.16662483548887 | epot = -21.497690476826 | etot = -16.520867773879
-706000  ekin = 1.97639068263159 |  erot = 2.31468002405234 | epot = -21.494117475981 | etot = -17.2030467692971
-707000  ekin = 1.90740387464487 |  erot = 2.04436544372039 | epot = -21.5505486138141 | etot = -17.5987792954489
-708000  ekin = 2.4927128838246 |  erot = 2.15829540621564 | epot = -21.5728746117359 | etot = -16.9218663216956
-709000  ekin = 2.89296518644075 |  erot = 2.58120965850486 | epot = -21.6152997801577 | etot = -16.1411249352121
-710000  ekin = 2.18515172086139 |  erot = 2.27924743097099 | epot = -21.5865916502443 | etot = -17.122192498412
-711000  ekin = 2.31589231212299 |  erot = 1.40143925977899 | epot = -21.6089597508521 | etot = -17.8916281789502
-712000  ekin = 2.55835611026778 |  erot = 2.27281573655802 | epot = -21.7227687229586 | etot = -16.8915968761328
-713000  ekin = 1.95615391137192 |  erot = 2.31806852238961 | epot = -21.8059432402922 | etot = -17.5317208065307
-714000  ekin = 2.5623858309981 |  erot = 2.10850361056242 | epot = -21.8681675013087 | etot = -17.1972780597482
-715000  ekin = 2.42321114653449 |  erot = 3.74023135295617 | epot = -21.8498336266088 | etot = -15.6863911271181
-716000  ekin = 2.83316600532177 |  erot = 2.84850242081136 | epot = -21.7640231598545 | etot = -16.0823547337214
-717000  ekin = 3.45113934412558 |  erot = 3.20598462177205 | epot = -21.667790662391 | etot = -15.0106666964934
-718000  ekin = 3.10736232683018 |  erot = 3.94031338601796 | epot = -21.5629179727886 | etot = -14.5152422599405
-719000  ekin = 2.38564322644682 |  erot = 2.9508981175584 | epot = -21.5481188237003 | etot = -16.2115774796951
-720000  ekin = 2.22543420991222 |  erot = 3.14305432696275 | epot = -21.5381615962024 | etot = -16.1696730593275
-721000  ekin = 1.71709109813907 |  erot = 2.23939430363992 | epot = -21.4645851946692 | etot = -17.5080997928902
-722000  ekin = 1.93213958129581 |  erot = 2.8157321827673 | epot = -21.4896847080113 | etot = -16.7418129439482
-723000  ekin = 2.38145345346889 |  erot = 2.55666957995949 | epot = -21.4374887927968 | etot = -16.4993657593684
-724000  ekin = 1.74740284448188 |  erot = 2.4555617568904 | epot = -21.4125175551609 | etot = -17.2095529537886
-725000  ekin = 2.29233638352031 |  erot = 2.95267014777738 | epot = -21.4751392844086 | etot = -16.2301327531109
-726000  ekin = 1.63503646092183 |  erot = 2.30649262262119 | epot = -21.5156851039583 | etot = -17.5741560204153
-727000  ekin = 2.46705454176009 |  erot = 3.19802987014478 | epot = -21.5382715508197 | etot = -15.8731871389148
-728000  ekin = 2.21709576272191 |  erot = 2.16616227421246 | epot = -21.5244744557247 | etot = -17.1412164187904
-729000  ekin = 1.89396537247993 |  erot = 1.66596987620967 | epot = -21.5644109232526 | etot = -18.004475674563
-730000  ekin = 1.78155182892059 |  erot = 2.15399661961712 | epot = -21.5594738957829 | etot = -17.6239254472452
-731000  ekin = 2.16713092512296 |  erot = 2.96875570154116 | epot = -21.4952326145864 | etot = -16.3593459879223
-732000  ekin = 2.40927355189018 |  erot = 2.27189990077001 | epot = -21.3831563581627 | etot = -16.7019829055025
-733000  ekin = 3.04824198143783 |  erot = 2.57289903054808 | epot = -21.429005165309 | etot = -15.8078641533231
-734000  ekin = 2.36703883022854 |  erot = 2.04468815017471 | epot = -21.4926214065431 | etot = -17.0808944261399
-735000  ekin = 2.13292788677937 |  erot = 1.55097035487251 | epot = -21.5455592190822 | etot = -17.8616609774303
-736000  ekin = 2.13562110082197 |  erot = 3.45795834862289 | epot = -21.6515763333194 | etot = -16.0579968838745
-737000  ekin = 1.73550703692746 |  erot = 3.58781244645388 | epot = -21.6785680654269 | etot = -16.3552485820456
-738000  ekin = 2.0113668076702 |  erot = 2.50533140705366 | epot = -21.7068415263434 | etot = -17.1901433116195
-739000  ekin = 1.85122466968334 |  erot = 2.19323904324287 | epot = -21.7211705032462 | etot = -17.67670679032
-740000  ekin = 2.84677298867338 |  erot = 2.79086338446698 | epot = -21.7460997683893 | etot = -16.1084633952489
-741000  ekin = 2.47281769013275 |  erot = 2.90867674862124 | epot = -21.8038806031311 | etot = -16.4223861643772
-742000  ekin = 2.74212748781965 |  erot = 3.26601844940295 | epot = -21.9417105639309 | etot = -15.9335646267083
-743000  ekin = 2.23337436613033 |  erot = 3.20752099935253 | epot = -22.076993886109 | etot = -16.6360985206262
-744000  ekin = 2.0100758296396 |  erot = 3.79208398827072 | epot = -22.1581491314472 | etot = -16.3559893135369
-745000  ekin = 3.14168435406401 |  erot = 2.32756039064277 | epot = -22.1552791709709 | etot = -16.6860344262641
-746000  ekin = 2.96147960587595 |  erot = 2.64919778641528 | epot = -22.131657657659 | etot = -16.5209802653677
-747000  ekin = 2.31713973406908 |  erot = 2.05388385027238 | epot = -22.1362115743711 | etot = -17.7651879900297
-748000  ekin = 2.36228107661837 |  erot = 2.41530550223615 | epot = -22.1703943251346 | etot = -17.3928077462801
-749000  ekin = 2.07006713072585 |  erot = 2.7743291960411 | epot = -22.1708421357977 | etot = -17.3264458090308
-750000  ekin = 1.65834656870048 |  erot = 2.38415657369845 | epot = -22.2465520170919 | etot = -18.2040488746929
-751000  ekin = 1.79302728344389 |  erot = 2.82710216006101 | epot = -22.3488339479635 | etot = -17.7287045044586
-752000  ekin = 1.35555517803007 |  erot = 1.46019783589211 | epot = -22.4342877547318 | etot = -19.6185347408096
-753000  ekin = 1.88586262445723 |  erot = 2.44014879801272 | epot = -22.3837690917336 | etot = -18.0577576692636
-754000  ekin = 1.74745498380874 |  erot = 2.736120118542 | epot = -22.2852965474798 | etot = -17.8017214451291
-755000  ekin = 2.39590781949903 |  erot = 2.41019902787153 | epot = -22.2066358684386 | etot = -17.400529021068
-756000  ekin = 1.83745653598818 |  erot = 2.79024351605604 | epot = -22.133592240187 | etot = -17.5058921881428
-757000  ekin = 1.97281200687049 |  erot = 2.57792722235946 | epot = -22.0604464398181 | etot = -17.5097072105881
-758000  ekin = 1.18945619136922 |  erot = 2.72372183682492 | epot = -21.9899494795137 | etot = -18.0767714513196
-759000  ekin = 2.16230453116658 |  erot = 1.39722896511083 | epot = -22.0003304659983 | etot = -18.4407969697208
-760000  ekin = 2.57253050230034 |  erot = 2.33269711137818 | epot = -22.0357457302398 | etot = -17.1305181165613
-761000  ekin = 2.08545216810509 |  erot = 2.24940559703296 | epot = -22.1132097744113 | etot = -17.7783520092732
-762000  ekin = 2.13509249172209 |  erot = 1.66078369856518 | epot = -22.1380840935026 | etot = -18.3422079032154
-763000  ekin = 2.42851727622128 |  erot = 3.36016749294484 | epot = -22.2079173436287 | etot = -16.4192325744626
-764000  ekin = 2.84703530894743 |  erot = 2.79172375883347 | epot = -22.2143624032421 | etot = -16.5756033354612
-765000  ekin = 1.81325658345262 |  erot = 2.77448180912352 | epot = -22.1194010453623 | etot = -17.5316626527862
-766000  ekin = 2.64831101430988 |  erot = 2.3138164970859 | epot = -21.9919179324216 | etot = -17.0297904210258
-767000  ekin = 2.58949745571041 |  erot = 2.86718473216886 | epot = -21.9087370669525 | etot = -16.4520548790732
-768000  ekin = 1.86313167956692 |  erot = 2.78552244417216 | epot = -21.9381577980074 | etot = -17.2895036742684
-769000  ekin = 2.40162376419982 |  erot = 2.31402374045873 | epot = -22.0373843590673 | etot = -17.3217368544087
-770000  ekin = 2.49146487205158 |  erot = 3.23101926076329 | epot = -22.1439576198693 | etot = -16.4214734870544
-771000  ekin = 2.33226337742861 |  erot = 2.27787220200642 | epot = -22.1812213688413 | etot = -17.5710857894063
-772000  ekin = 2.28990016215835 |  erot = 2.99389364569331 | epot = -22.2765115340955 | etot = -16.9927177262439
-773000  ekin = 2.23002457595115 |  erot = 1.82240115552768 | epot = -22.3379686916384 | etot = -18.2855429601596
-774000  ekin = 2.82350297312971 |  erot = 2.21054815770296 | epot = -22.331524297742 | etot = -17.2974731669094
-775000  ekin = 1.82305982105504 |  erot = 1.8710033654222 | epot = -22.2729891281483 | etot = -18.578925941671
-776000  ekin = 1.39169167990076 |  erot = 3.16027505319298 | epot = -22.2459295451277 | etot = -17.6939628120339
-777000  ekin = 1.6265637770548 |  erot = 2.80881827044757 | epot = -22.1611617112313 | etot = -17.7257796637289
-778000  ekin = 1.49436478903863 |  erot = 2.2416123685623 | epot = -22.1732646444852 | etot = -18.4372874868843
-779000  ekin = 1.88107404119767 |  erot = 1.90732846459753 | epot = -22.2125828989308 | etot = -18.4241803931357
-780000  ekin = 1.70209634464212 |  erot = 2.3051529921035 | epot = -22.2800747799124 | etot = -18.2728254431668
-781000  ekin = 2.12615575710869 |  erot = 2.56065358398066 | epot = -22.3657963731658 | etot = -17.6789870320765
-782000  ekin = 2.60319344794517 |  erot = 1.95716880667361 | epot = -22.2788895886639 | etot = -17.7185273340451
-783000  ekin = 2.19489638548848 |  erot = 2.90033506167529 | epot = -22.2004563501245 | etot = -17.1052249029607
-784000  ekin = 2.84914111009348 |  erot = 2.24051018422877 | epot = -22.2093010900996 | etot = -17.1196497957773
-785000  ekin = 3.14240765153577 |  erot = 2.92860772919916 | epot = -22.2500274240077 | etot = -16.1790120432728
-786000  ekin = 2.83372300736035 |  erot = 3.44593690351847 | epot = -22.2923595270367 | etot = -16.0126996161579
-787000  ekin = 2.41074903520556 |  erot = 3.01381650302091 | epot = -22.2329745868673 | etot = -16.8084090486408
-788000  ekin = 1.99557665602945 |  erot = 2.01600225895996 | epot = -22.1996915458458 | etot = -18.1881126308564
-789000  ekin = 2.46258971641133 |  erot = 2.27406771625315 | epot = -22.1314921413931 | etot = -17.3948347087286
-790000  ekin = 3.5794195002921 |  erot = 2.8244086481244 | epot = -22.0691321886934 | etot = -15.6653040402769
-791000  ekin = 3.1240271028451 |  erot = 2.42401718962738 | epot = -22.0808685046086 | etot = -16.5328242121361
-792000  ekin = 3.95429056548242 |  erot = 1.97241939137158 | epot = -22.0156932891881 | etot = -16.0889833323341
-793000  ekin = 2.26828416500901 |  erot = 2.58677202552918 | epot = -21.9219598803777 | etot = -17.0669036898395
-794000  ekin = 2.16106559150924 |  erot = 2.44310931274124 | epot = -21.7619518452423 | etot = -17.1577769409918
-795000  ekin = 1.62519700428841 |  erot = 2.41826691867446 | epot = -21.6012749849542 | etot = -17.5578110619913
-796000  ekin = 2.18377144801669 |  erot = 2.13093440679002 | epot = -21.4820337714693 | etot = -17.1673279166625
-797000  ekin = 1.81427862345353 |  erot = 1.99534051513422 | epot = -21.4739195915569 | etot = -17.6643004529692
-798000  ekin = 2.22012195132989 |  erot = 2.51363796316555 | epot = -21.5008270155092 | etot = -16.7670671010137
-799000  ekin = 1.88984581553595 |  erot = 2.87047971528298 | epot = -21.4708608053325 | etot = -16.7105352745135
-800000  ekin = 2.14235800297794 |  erot = 2.35196377273804 | epot = -21.3792596865245 | etot = -16.8849379108085
-801000  ekin = 1.84302686949433 |  erot = 1.65480855802627 | epot = -21.2211741734437 | etot = -17.7233387459231
-802000  ekin = 2.20305615004888 |  erot = 2.22355768328245 | epot = -21.1073599995259 | etot = -16.6807461661946
-803000  ekin = 2.64836814873033 |  erot = 1.9076187180486 | epot = -21.075204188547 | etot = -16.5192173217681
-804000  ekin = 2.34495845479318 |  erot = 2.89112045330491 | epot = -21.0176734836814 | etot = -15.7815945755833
-805000  ekin = 1.79915640284781 |  erot = 2.71685844764876 | epot = -20.8858433761952 | etot = -16.3698285256986
-806000  ekin = 1.74992507845556 |  erot = 2.08517047523251 | epot = -20.8503301901418 | etot = -17.0152346364538
-807000  ekin = 1.57172452594495 |  erot = 1.70422569898767 | epot = -20.9092333967052 | etot = -17.6332831717726
-808000  ekin = 2.08106901002531 |  erot = 2.40367065218828 | epot = -20.985869179598 | etot = -16.5011295173844
-809000  ekin = 2.61736488835992 |  erot = 1.51251405170843 | epot = -20.9790910298502 | etot = -16.8492120897818
-810000  ekin = 3.07344763503492 |  erot = 2.65428122600395 | epot = -20.8962978903169 | etot = -15.1685690292781
-811000  ekin = 3.02889983101699 |  erot = 3.61686315729186 | epot = -20.9396616028789 | etot = -14.2938986145701
-812000  ekin = 2.13832655324419 |  erot = 2.7919099294265 | epot = -21.0260005012596 | etot = -16.0957640185889
-813000  ekin = 2.19077235410927 |  erot = 3.16158040032407 | epot = -21.2169108164963 | etot = -15.864558062063
-814000  ekin = 1.70775111413747 |  erot = 2.98436840501864 | epot = -21.308951189013 | etot = -16.6168316698569
-815000  ekin = 2.14630779714624 |  erot = 2.27335416843264 | epot = -21.3099230783926 | etot = -16.8902611128138
-816000  ekin = 2.70331501775258 |  erot = 1.53093796189124 | epot = -21.3384418834225 | etot = -17.1041889037787
-817000  ekin = 2.55738086811903 |  erot = 2.58558173150041 | epot = -21.4691891608916 | etot = -16.3262265612721
-818000  ekin = 2.27829786328906 |  erot = 2.26089725682101 | epot = -21.5162183667694 | etot = -16.9770232466593
-819000  ekin = 2.10478260130361 |  erot = 3.02380855832961 | epot = -21.5292309310152 | etot = -16.400639771382
-820000  ekin = 2.50608188233135 |  erot = 2.71783485224718 | epot = -21.5036816055507 | etot = -16.2797648709722
-821000  ekin = 2.62609848062628 |  erot = 2.55164634943843 | epot = -21.478766185164 | etot = -16.3010213550993
-822000  ekin = 3.63941681915299 |  erot = 2.20246894917129 | epot = -21.4688230156577 | etot = -15.6269372473334
-823000  ekin = 3.58953515450024 |  erot = 2.7355620654562 | epot = -21.4650227341942 | etot = -15.1399255142378
-824000  ekin = 4.11304720722591 |  erot = 3.29174595135481 | epot = -21.4062011377905 | etot = -14.0014079792098
-825000  ekin = 2.90620097853795 |  erot = 3.46409084826254 | epot = -21.2436944546109 | etot = -14.8734026278104
-826000  ekin = 1.72188438195169 |  erot = 1.97028277378149 | epot = -21.0473904580338 | etot = -17.3552233023006
-827000  ekin = 1.9124069409458 |  erot = 2.55760488338655 | epot = -20.9206700763424 | etot = -16.4506582520101
-828000  ekin = 2.38145056979363 |  erot = 2.55544957149183 | epot = -20.8204865756543 | etot = -15.8835864343688
-829000  ekin = 2.24733826946604 |  erot = 1.78474837345229 | epot = -20.7084449579388 | etot = -16.6763583150204
-830000  ekin = 2.52795893691035 |  erot = 2.34146724282711 | epot = -20.5883731027638 | etot = -15.7189469230264
-831000  ekin = 2.68310001004752 |  erot = 2.07407005901145 | epot = -20.4364451382899 | etot = -15.6792750692309
-832000  ekin = 2.6732342426401 |  erot = 2.02167788192501 | epot = -20.3691783993746 | etot = -15.6742662748095
-833000  ekin = 2.55071664949192 |  erot = 2.59972899624767 | epot = -20.3036213925319 | etot = -15.1531757467923
-834000  ekin = 2.87089088359562 |  erot = 2.32463192225235 | epot = -20.2984653371648 | etot = -15.1029425313169
-835000  ekin = 2.77558903596269 |  erot = 2.73757154391999 | epot = -20.4022293845421 | etot = -14.8890688046595
-836000  ekin = 2.57713146919653 |  erot = 2.85322310545496 | epot = -20.5403137141641 | etot = -15.1099591395126
-837000  ekin = 1.78075406754283 |  erot = 1.97503243561097 | epot = -20.5889142070484 | etot = -16.8331277038946
-838000  ekin = 1.98032617531702 |  erot = 2.79829467073936 | epot = -20.6049667376349 | etot = -15.8263458915785
-839000  ekin = 2.0003179521848 |  erot = 2.70198331564818 | epot = -20.5921495833285 | etot = -15.8898483154955
-840000  ekin = 1.70031236242703 |  erot = 2.9568568949057 | epot = -20.6678372916037 | etot = -16.010668034271
-841000  ekin = 2.77705100359315 |  erot = 2.84742847205068 | epot = -20.7929304121764 | etot = -15.1684509365325
-842000  ekin = 2.54393458307436 |  erot = 2.87172695192626 | epot = -20.8173418291016 | etot = -15.401680294101
-843000  ekin = 2.00273625390939 |  erot = 2.63437491598433 | epot = -20.8053999188197 | etot = -16.1682887489259
-844000  ekin = 1.5290074956935 |  erot = 1.92882434140973 | epot = -20.8427655387949 | etot = -17.3849337016917
-845000  ekin = 2.27176799938834 |  erot = 2.30843636540598 | epot = -20.9384881501645 | etot = -16.3582837853702
-846000  ekin = 2.06718804989496 |  erot = 2.3310866232498 | epot = -21.008503215967 | etot = -16.6102285428222
-847000  ekin = 2.457310325364 |  erot = 2.64112097293886 | epot = -20.9624761048838 | etot = -15.8640448065809
-848000  ekin = 2.13894899278458 |  erot = 1.46487099434191 | epot = -20.9909626022983 | etot = -17.3871426151718
-849000  ekin = 2.0007946308419 |  erot = 2.48568109050424 | epot = -20.9995492646628 | etot = -16.5130735433167
-850000  ekin = 2.54186297995285 |  erot = 2.66929613872207 | epot = -20.9906717645297 | etot = -15.7795126458548
-851000  ekin = 2.16443404123471 |  erot = 2.92830981454153 | epot = -20.9932718794596 | etot = -15.9005280236834
-852000  ekin = 2.48255398040851 |  erot = 2.46238001266592 | epot = -21.0187491181079 | etot = -16.0738151250335
-853000  ekin = 2.4154146701692 |  erot = 2.97520224443386 | epot = -20.9598722543997 | etot = -15.5692553397966
-854000  ekin = 2.35150751079563 |  erot = 2.85453387569364 | epot = -20.8693696367608 | etot = -15.6633282502715
-855000  ekin = 2.36749640703667 |  erot = 2.0675340835823 | epot = -20.8980197782033 | etot = -16.4629892875844
-856000  ekin = 2.52164598863741 |  erot = 2.75265020302047 | epot = -20.800830948998 | etot = -15.5265347573401
-857000  ekin = 2.55862872070476 |  erot = 3.03030828592916 | epot = -20.6910887919773 | etot = -15.1021517853433
-858000  ekin = 3.12628251408762 |  erot = 2.14554604261068 | epot = -20.6394579492303 | etot = -15.367629392532
-859000  ekin = 2.91259413572113 |  erot = 2.23773675238285 | epot = -20.6611486479508 | etot = -15.5108177598468
-860000  ekin = 2.88318377110753 |  erot = 1.51972062646445 | epot = -20.6828066069552 | etot = -16.2799022093833
-861000  ekin = 2.33529167415754 |  erot = 2.85116617791257 | epot = -20.6796212139896 | etot = -15.4931633619195
-862000  ekin = 3.06091745354044 |  erot = 1.86960550588564 | epot = -20.7257485328209 | etot = -15.7952255733949
-863000  ekin = 2.88295223464283 |  erot = 1.77743902656173 | epot = -20.8340328987095 | etot = -16.1736416375049
-864000  ekin = 2.95602292127633 |  erot = 2.6505641071531 | epot = -21.016295456145 | etot = -15.4097084277156
-865000  ekin = 3.3172549369506 |  erot = 2.24347319046511 | epot = -21.1441095096619 | etot = -15.5833813822461
-866000  ekin = 2.8446879555804 |  erot = 3.16802464112882 | epot = -21.2275167371632 | etot = -15.214804140454
-867000  ekin = 2.74149808612436 |  erot = 3.09628634794252 | epot = -21.2140642048229 | etot = -15.376279770756
-868000  ekin = 2.1914148486481 |  erot = 2.23765996064102 | epot = -21.1661691183494 | etot = -16.7370943090603
-869000  ekin = 2.92726848075923 |  erot = 2.49663936074753 | epot = -21.1109612585256 | etot = -15.6870534170188
-870000  ekin = 2.47986538741065 |  erot = 2.11907230969517 | epot = -21.0900293946685 | etot = -16.4910916975627
-871000  ekin = 2.18342640526418 |  erot = 2.37474045896628 | epot = -20.9804914418025 | etot = -16.422324577572
-872000  ekin = 1.52873571215979 |  erot = 2.08908078804674 | epot = -20.9343176993392 | etot = -17.3165011991327
-873000  ekin = 1.39281578471524 |  erot = 2.29034780878959 | epot = -21.0007866828842 | etot = -17.3176230893794
-874000  ekin = 1.40786554880768 |  erot = 2.77007970032351 | epot = -21.1600842742429 | etot = -16.9821390251117
-875000  ekin = 1.18320018517441 |  erot = 2.73058842883514 | epot = -21.2959059488291 | etot = -17.3821173348196
-876000  ekin = 1.8300189393038 |  erot = 2.99586941144888 | epot = -21.3298635968753 | etot = -16.5039752461226
-877000  ekin = 2.38032906471077 |  erot = 2.03722695211229 | epot = -21.4152790752831 | etot = -16.99772305846
-878000  ekin = 2.1293851684127 |  erot = 1.75666654131943 | epot = -21.412657760354 | etot = -17.5266060506219
-879000  ekin = 2.23837299177367 |  erot = 2.71307243504656 | epot = -21.4006541150457 | etot = -16.4492086882254
-880000  ekin = 2.68032631557358 |  erot = 2.78439945590095 | epot = -21.4462782448912 | etot = -15.9815524734167
-881000  ekin = 2.86810525851389 |  erot = 2.35959915589951 | epot = -21.4314549447334 | etot = -16.20375053032
-882000  ekin = 2.33172283615115 |  erot = 2.17176020371466 | epot = -21.369535469283 | etot = -16.8660524294172
-883000  ekin = 2.36331150998289 |  erot = 1.97634374053965 | epot = -21.1748990104138 | etot = -16.8352437598913
-884000  ekin = 2.53782271833829 |  erot = 2.25243670168425 | epot = -21.0795767771653 | etot = -16.2893173571428
-885000  ekin = 2.86057103069745 |  erot = 2.27462544190305 | epot = -21.0782171958267 | etot = -15.9430207232262
-886000  ekin = 3.17034195996096 |  erot = 1.7483264672941 | epot = -21.1280719510454 | etot = -16.2094035237903
-887000  ekin = 2.66023408534638 |  erot = 2.49426802108019 | epot = -21.1909579488463 | etot = -16.0364558424197
-888000  ekin = 2.14156056158802 |  erot = 2.8306592029555 | epot = -21.2749898508176 | etot = -16.3027700862741
-889000  ekin = 2.13776380125426 |  erot = 2.19994227158625 | epot = -21.1902576201104 | etot = -16.8525515472699
-890000  ekin = 1.76446650263826 |  erot = 2.97354753014622 | epot = -21.2518724314555 | etot = -16.513858398671
-891000  ekin = 1.64433607192947 |  erot = 2.28044235221045 | epot = -21.3759471910581 | etot = -17.4511687669181
-892000  ekin = 1.97381907006141 |  erot = 2.35969977765341 | epot = -21.5200869372681 | etot = -17.1865680895533
-893000  ekin = 1.77998159671209 |  erot = 1.83959134574388 | epot = -21.5960425863495 | etot = -17.9764696438936
-894000  ekin = 2.8098996128374 |  erot = 2.80337844303783 | epot = -21.6896955865519 | etot = -16.0764175306767
-895000  ekin = 2.03570642281182 |  erot = 2.73641442629082 | epot = -21.7763280754101 | etot = -17.0042072263074
-896000  ekin = 1.6670401968188 |  erot = 2.55842313387757 | epot = -21.9079691828366 | etot = -17.6825058521403
-897000  ekin = 1.79364820755772 |  erot = 2.35937074837064 | epot = -22.0466195733302 | etot = -17.8936006174019
-898000  ekin = 1.84103348909591 |  erot = 2.41596980112089 | epot = -22.0792153246985 | etot = -17.8222120344817
-899000  ekin = 1.6644807831865 |  erot = 3.06295573986189 | epot = -22.0050930291629 | etot = -17.2776565061145
-900000  ekin = 2.15301263014261 |  erot = 2.62503812958041 | epot = -21.9769631774149 | etot = -17.1989124176919
-901000  ekin = 2.43323525076021 |  erot = 2.69661561775584 | epot = -22.0455467285607 | etot = -16.9156958600446
-902000  ekin = 2.57983518470479 |  erot = 2.40634661051269 | epot = -22.0504126836938 | etot = -17.0642308884763
-903000  ekin = 2.38804084084236 |  erot = 2.40369143268286 | epot = -22.0548572254258 | etot = -17.2631249519006
-904000  ekin = 1.99756799382411 |  erot = 3.1573673373966 | epot = -22.0783783499621 | etot = -16.9234430187413
-905000  ekin = 2.2804213599578 |  erot = 2.20746001153528 | epot = -22.092475444409 | etot = -17.6045940729159
-906000  ekin = 2.49914497220395 |  erot = 1.67106173041059 | epot = -22.0649292741971 | etot = -17.8947225715826
-907000  ekin = 2.3417075346135 |  erot = 2.1683018981558 | epot = -21.9182395193391 | etot = -17.4082300865698
-908000  ekin = 2.83101675354561 |  erot = 2.39226452568031 | epot = -21.9393923471479 | etot = -16.716111067922
-909000  ekin = 3.13519044247879 |  erot = 2.07053636961478 | epot = -22.044039894957 | etot = -16.8383130828635
-910000  ekin = 2.91492350277448 |  erot = 3.54269221448407 | epot = -22.1774209001616 | etot = -15.7198051829031
-911000  ekin = 1.86299522014884 |  erot = 2.75425299355672 | epot = -22.2318842654016 | etot = -17.6146360516961
-912000  ekin = 2.64270620869814 |  erot = 1.86916034984858 | epot = -22.2816929482531 | etot = -17.7698263897064
-913000  ekin = 2.45835259040075 |  erot = 2.03343540339215 | epot = -22.4051980318983 | etot = -17.9134100381055
-914000  ekin = 2.01630257583653 |  erot = 3.01931541129967 | epot = -22.505580829989 | etot = -17.4699628428528
-915000  ekin = 2.73550820750708 |  erot = 2.14051989379168 | epot = -22.5067223019055 | etot = -17.6306942006067
-916000  ekin = 2.38833694849903 |  erot = 3.26236542376324 | epot = -22.5299732656691 | etot = -16.8792708934069
-917000  ekin = 2.21211072529667 |  erot = 2.24425221182158 | epot = -22.5175498112378 | etot = -18.0611868741196
-918000  ekin = 2.11721632678553 |  erot = 2.05681940825278 | epot = -22.4485798442659 | etot = -18.2745441092276
-919000  ekin = 2.66065401645241 |  erot = 2.41853759346264 | epot = -22.4819256778217 | etot = -17.4027340679067
-920000  ekin = 3.26471044916533 |  erot = 2.75531911342506 | epot = -22.5858600689149 | etot = -16.5658305063245
-921000  ekin = 2.72028388628927 |  erot = 1.96960596371279 | epot = -22.6394402751861 | etot = -17.949550425184
-922000  ekin = 1.43428549123067 |  erot = 1.52428475569852 | epot = -22.6914991306333 | etot = -19.7329288837041
-923000  ekin = 1.67603986848274 |  erot = 1.86522020655462 | epot = -22.7510571233686 | etot = -19.2097970483313
-924000  ekin = 2.15000311118185 |  erot = 1.53327070095754 | epot = -22.7223413241931 | etot = -19.0390675120537
-925000  ekin = 2.27769316315994 |  erot = 1.3558291477729 | epot = -22.6317669747038 | etot = -18.998244663771
-926000  ekin = 2.00370753803371 |  erot = 2.07123237010034 | epot = -22.5811533157097 | etot = -18.5062134075757
-927000  ekin = 2.51631428248841 |  erot = 1.98711239136865 | epot = -22.6957752134475 | etot = -18.1923485395904
-928000  ekin = 2.57502157703452 |  erot = 2.51449316644153 | epot = -22.8486668477059 | etot = -17.7591521042298
-929000  ekin = 2.66015175923782 |  erot = 1.82991995656988 | epot = -22.8894816710892 | etot = -18.3994099552814
-930000  ekin = 2.41758548277495 |  erot = 2.009770197394 | epot = -22.9023129289068 | etot = -18.4749572487379
-931000  ekin = 3.01936517399358 |  erot = 2.11115283295647 | epot = -22.8598478032753 | etot = -17.7293297963252
-932000  ekin = 2.34904883629148 |  erot = 1.87134929534041 | epot = -22.900230384769 | etot = -18.6798322531371
-933000  ekin = 2.16775611540092 |  erot = 2.83796264813669 | epot = -22.9075292968865 | etot = -17.9018105333489
-934000  ekin = 2.17428610858913 |  erot = 2.11891276299499 | epot = -22.9275911153102 | etot = -18.6343922437261
-935000  ekin = 2.35380058127247 |  erot = 2.22719757040086 | epot = -22.9178791070039 | etot = -18.3368809553306
-936000  ekin = 2.29398857252167 |  erot = 2.52122883801967 | epot = -23.0254587453496 | etot = -18.2102413348083
-937000  ekin = 2.32405492839276 |  erot = 2.82571975062453 | epot = -23.1134869099967 | etot = -17.9637122309794
-938000  ekin = 2.46190818228192 |  erot = 1.99586541720566 | epot = -23.1690855883854 | etot = -18.7113119888978
-939000  ekin = 2.99494633358444 |  erot = 2.11200579979091 | epot = -23.1621265982256 | etot = -18.0551744648502
-940000  ekin = 3.76773061527755 |  erot = 2.67954167018356 | epot = -23.1020260319689 | etot = -16.6547537465078
-941000  ekin = 3.15108874053801 |  erot = 2.26610050109568 | epot = -23.0042404655517 | etot = -17.587051223918
-942000  ekin = 3.50311245643908 |  erot = 1.8837360214302 | epot = -22.9671180112669 | etot = -17.5802695333976
-943000  ekin = 3.82043792465856 |  erot = 2.71285823250348 | epot = -22.9404059827705 | etot = -16.4071098256085
-944000  ekin = 2.68278476017665 |  erot = 2.75585489458161 | epot = -22.9190580774811 | etot = -17.4804184227228
-945000  ekin = 2.55880828345199 |  erot = 2.02741981318914 | epot = -22.8232630911495 | etot = -18.2370349945083
-946000  ekin = 2.47548691870273 |  erot = 1.6686405936174 | epot = -22.6586979544826 | etot = -18.5145704421625
-947000  ekin = 2.41867478100658 |  erot = 1.99274780926994 | epot = -22.5542133657001 | etot = -18.1427907754236
-948000  ekin = 3.54970439277899 |  erot = 2.57756240201337 | epot = -22.4104376157297 | etot = -16.2831708209373
-949000  ekin = 2.98589976166071 |  erot = 2.44208964275301 | epot = -22.1971411230011 | etot = -16.7691517185874
-950000  ekin = 1.82147308870196 |  erot = 3.05083899379336 | epot = -22.0435130221228 | etot = -17.1712009396274
-951000  ekin = 2.20031505253436 |  erot = 2.38004890424643 | epot = -22.0174402075992 | etot = -17.4370762508184
-952000  ekin = 2.14165422682636 |  erot = 1.67045420750586 | epot = -21.9875031647928 | etot = -18.1753947304605
-953000  ekin = 2.2983346942831 |  erot = 1.97349532600852 | epot = -21.9532851584682 | etot = -17.6814551381766
-954000  ekin = 1.48835290094507 |  erot = 3.3569245199183 | epot = -21.8812774176255 | etot = -17.0359999967622
-955000  ekin = 1.87513794155827 |  erot = 2.65898918540886 | epot = -21.7919528937349 | etot = -17.2578257667678
-956000  ekin = 1.6947359470094 |  erot = 2.15427252360417 | epot = -21.7268035908356 | etot = -17.877795120222
-957000  ekin = 1.75579814865835 |  erot = 1.63901039608816 | epot = -21.7007270322021 | etot = -18.3059184874556
-958000  ekin = 1.59869777656518 |  erot = 2.20104985114387 | epot = -21.7023937250484 | etot = -17.9026460973393
-959000  ekin = 2.58438881562723 |  erot = 2.4897790743314 | epot = -21.7153511733982 | etot = -16.6411832834396
-960000  ekin = 2.53916903929275 |  erot = 2.05995138561217 | epot = -21.7134163297426 | etot = -17.1142959048376
-961000  ekin = 2.28282707786747 |  erot = 2.18347157951508 | epot = -21.7152390799839 | etot = -17.2489404226013
-962000  ekin = 1.65520100959905 |  erot = 3.51416445242778 | epot = -21.7329558565077 | etot = -16.5635903944808
-963000  ekin = 1.99568689924178 |  erot = 1.50126173817714 | epot = -21.6847527677603 | etot = -18.1878041303414
-964000  ekin = 2.18616111169191 |  erot = 2.27601428306195 | epot = -21.6212716735791 | etot = -17.1590962788252
-965000  ekin = 2.12688674785305 |  erot = 2.31141713690627 | epot = -21.6018715374843 | etot = -17.163567652725
-966000  ekin = 3.18043989665768 |  erot = 3.42455452205085 | epot = -21.638305203769 | etot = -15.0333107850605
-967000  ekin = 3.07300409154252 |  erot = 2.17511749698304 | epot = -21.5951488445701 | etot = -16.3470272560445
-968000  ekin = 2.0866315065553 |  erot = 2.13997027735021 | epot = -21.5232721871232 | etot = -17.2966704032177
-969000  ekin = 2.26951411936363 |  erot = 2.21822796004341 | epot = -21.4611553284776 | etot = -16.9734132490706
-970000  ekin = 2.4916739659978 |  erot = 2.62083774678042 | epot = -21.4077353682587 | etot = -16.2952236554805
-971000  ekin = 2.49745059610599 |  erot = 2.64553775005006 | epot = -21.3712924820093 | etot = -16.2283041358532
-972000  ekin = 3.2069302084461 |  erot = 2.4701129448845 | epot = -21.3144344371103 | etot = -15.6373912837797
-973000  ekin = 3.3593544808794 |  erot = 2.62917582888825 | epot = -21.2433830591837 | etot = -15.2548527494161
-974000  ekin = 2.71069552226069 |  erot = 2.13944446989064 | epot = -21.1404268855179 | etot = -16.2902868933666
-975000  ekin = 1.81165819781674 |  erot = 2.10218924092727 | epot = -21.0499905566304 | etot = -17.1361431178864
-976000  ekin = 2.36984742020937 |  erot = 1.38488988265326 | epot = -20.9803229653516 | etot = -17.2255856624889
-977000  ekin = 2.83728662155799 |  erot = 3.02976542728586 | epot = -21.086860961914 | etot = -15.2198089130701
-978000  ekin = 3.14169266917129 |  erot = 3.02799812032621 | epot = -21.1408187166748 | etot = -14.9711279271773
-979000  ekin = 3.63725915757345 |  erot = 2.47075910077982 | epot = -21.0348329782418 | etot = -14.9268147198885
-980000  ekin = 3.42622785415583 |  erot = 3.24164435781271 | epot = -20.9604411583363 | etot = -14.2925689463677
-981000  ekin = 2.9282364939793 |  erot = 2.44516658563953 | epot = -20.999389015838 | etot = -15.6259859362192
-982000  ekin = 2.04558911070081 |  erot = 2.21302288881358 | epot = -21.0172581853275 | etot = -16.7586461858131
-983000  ekin = 2.56053983213181 |  erot = 1.98406283304104 | epot = -21.0054554868711 | etot = -16.4608528216982
-984000  ekin = 2.31455025377677 |  erot = 2.58584391470351 | epot = -21.0528748947299 | etot = -16.1524807262496
-985000  ekin = 2.31703817263369 |  erot = 2.99965025262556 | epot = -21.1270579315131 | etot = -15.8103695062538
-986000  ekin = 2.05103854432386 |  erot = 2.15351550911371 | epot = -21.2182405597612 | etot = -17.0136865063236
-987000  ekin = 2.41899263793245 |  erot = 1.58416150281503 | epot = -21.1906087726859 | etot = -17.1874546319384
-988000  ekin = 2.75135283132848 |  erot = 2.70498731016258 | epot = -21.09026978368 | etot = -15.6339296421889
-989000  ekin = 2.29408577956131 |  erot = 2.8565620534449 | epot = -21.0178170251465 | etot = -15.8671691921403
-990000  ekin = 2.23414139649767 |  erot = 2.58987928207186 | epot = -20.9412338597721 | etot = -16.1172131812026
-991000  ekin = 2.20140095465642 |  erot = 2.53421928109187 | epot = -20.8284298905317 | etot = -16.0928096547834
-992000  ekin = 1.73516341340694 |  erot = 2.49726908126815 | epot = -20.8981414535471 | etot = -16.665708958872
-993000  ekin = 1.38883779880923 |  erot = 1.96818984395136 | epot = -20.9939445972526 | etot = -17.6369169544921
-994000  ekin = 1.48978908674572 |  erot = 2.95636513336705 | epot = -21.0608370227911 | etot = -16.6146828026783
-995000  ekin = 2.31404204513712 |  erot = 1.67482961392507 | epot = -21.1264761824825 | etot = -17.1376045234203
-996000  ekin = 2.8977650484701 |  erot = 2.85063328331352 | epot = -21.0879631716189 | etot = -15.3395648398352
-997000  ekin = 3.12980664910276 |  erot = 2.14994147346884 | epot = -21.0789162715404 | etot = -15.7991681489688
-998000  ekin = 2.21592279552963 |  erot = 3.03017611615787 | epot = -20.9989402817529 | etot = -15.7528413700654
-999000  ekin = 2.60947995309596 |  erot = 1.73829419308785 | epot = -20.9136108602423 | etot = -16.5658367140585
-1000000  ekin = 2.32269547490305 |  erot = 2.87794942105203 | epot = -20.9071852604882 | etot = -15.7065403645331
- 1000000   0.10323091    -1.356822  0.050122912   -1.1615306 -8.852818e-05 
-Loop time of 33.1901 on 4 procs for 1000000 steps with 16 atoms
-
-Performance: 26031.848 tau/day, 30129.454 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.5594     | 12.197     | 22.984     | 287.1 | 36.75
-Bond    | 0.088184   | 0.40908    | 0.68101    |  42.5 |  1.23
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 2.0155     | 2.194      | 2.4681     |  11.3 |  6.61
-Output  | 1.6928e-05 | 2.3246e-05 | 2.5988e-05 |   0.0 |  0.00
-Modify  | 0.2003     | 2.7296     | 5.1641     | 131.4 |  8.22
-Other   |            | 15.66      |            |       | 47.19
-
-Nlocal:    4 ave 8 max 0 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    9 ave 10 max 8 min
-Histogram: 1 0 0 0 0 2 0 0 0 1
-Neighs:    34.5 ave 67 max 0 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 138
-Ave neighs/atom = 8.625
-Ave special neighs/atom = 3.75
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:33
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.1 b/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.1
new file mode 100644
index 0000000000..56f1b72277
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.1
@@ -0,0 +1,172 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 2
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex2
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  16 atoms
+  reading velocities ...
+  16 velocities
+  16 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  13 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of 1-4 neighbors
+  6 = max # of special neighbors
+
+set atom * mass 3.1575
+  16 settings made for mass
+
+group all type 1 4
+16 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna/fene
+bond_coeff * 2.0 0.25 0.7525
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
+pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
+
+# NVE ensemble
+#fix 1 all nve/dot
+fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.92828
+  ghost atom cutoff = 1.92828
+  binsize = 0.964142, bins = 42 42 42
+  5 neighbor lists, perpetual/occasional/extra = 5 0 0
+  (1) pair oxdna/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 2.861 | 2.861 | 2.861 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.5402493 0.0070469125   -1.5332024 -8.5641987e-05 
+1000  ekin = 1.54234964773389 |  erot = 1.71563526070267 | epot = -24.5477045187653 | etot = -21.2897196103287
+2000  ekin = 1.85988866919215 |  erot = 1.9424302796508 | epot = -24.4843044999595 | etot = -20.6819855511165
+3000  ekin = 2.68354339452998 |  erot = 2.14216528317607 | epot = -24.4019350693561 | etot = -19.57622639165
+4000  ekin = 2.04461800191989 |  erot = 1.49015219763162 | epot = -24.2959428773347 | etot = -20.7611726777832
+5000  ekin = 1.76794859210155 |  erot = 2.54289684465818 | epot = -24.2337587736863 | etot = -19.9229133369266
+6000  ekin = 3.1106424806079 |  erot = 2.04409805200892 | epot = -24.1585729744133 | etot = -19.0038324417964
+7000  ekin = 3.21360097519306 |  erot = 2.71941303605722 | epot = -24.0566262531609 | etot = -18.1236122419107
+8000  ekin = 2.82489935901743 |  erot = 2.66790555575696 | epot = -24.0194805097633 | etot = -18.526675594989
+9000  ekin = 2.69381302856378 |  erot = 2.59107820129446 | epot = -23.9216126050554 | etot = -18.6367213751972
+10000  ekin = 2.65765007662471 |  erot = 1.95562671446597 | epot = -23.7978334881241 | etot = -19.1845566970334
+   10000   0.11811778   -1.4992295  0.011864944   -1.3212615 -0.00013416809 
+Loop time of 0.295538 on 1 procs for 10000 steps with 16 atoms
+
+Performance: 29234.801 tau/day, 33836.575 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.20959    | 0.20959    | 0.20959    |   0.0 | 70.92
+Bond    | 0.0073669  | 0.0073669  | 0.0073669  |   0.0 |  2.49
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0016472  | 0.0016472  | 0.0016472  |   0.0 |  0.56
+Output  | 5.0068e-06 | 5.0068e-06 | 5.0068e-06 |   0.0 |  0.00
+Modify  | 0.073117   | 0.073117   | 0.073117   |   0.0 | 24.74
+Other   |            | 0.003813   |            |       |  1.29
+
+Nlocal:    16 ave 16 max 16 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    88 ave 88 max 88 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 88
+Ave neighs/atom = 5.5
+Ave special neighs/atom = 3.75
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.4 b/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.4
new file mode 100644
index 0000000000..5cb953cd8c
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA/duplex2/log.27Nov18.duplex2.g++.4
@@ -0,0 +1,172 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 2
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex2
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  16 atoms
+  reading velocities ...
+  16 velocities
+  16 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  13 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of 1-4 neighbors
+  6 = max # of special neighbors
+
+set atom * mass 3.1575
+  16 settings made for mass
+
+group all type 1 4
+16 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna/fene
+bond_coeff * 2.0 0.25 0.7525
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna/excv oxdna/stk oxdna/hbond oxdna/xstk oxdna/coaxstk
+pair_coeff * * oxdna/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna/hbond   seqav 0.0   8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna/hbond   seqav 1.077 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna/coaxstk 46.0 0.4 0.6 0.22 0.58 2.0 2.541592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 -0.65 2.0 -0.65
+
+# NVE ensemble
+#fix 1 all nve/dot
+fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.92828
+  ghost atom cutoff = 1.92828
+  binsize = 0.964142, bins = 42 42 42
+  5 neighbor lists, perpetual/occasional/extra = 5 0 0
+  (1) pair oxdna/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.466 | 7.648 | 7.83 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.5402493 0.0070469125   -1.5332024 -8.5641987e-05 
+1000  ekin = 1.34565986428024 |  erot = 2.31051421234078 | epot = -24.5061991591502 | etot = -20.8500250825292
+2000  ekin = 2.15911766687235 |  erot = 2.16031365874707 | epot = -24.4723177103698 | etot = -20.1528863847504
+3000  ekin = 3.26561948796015 |  erot = 2.75651822936604 | epot = -24.412573068346 | etot = -18.3904353510198
+4000  ekin = 1.92438809241066 |  erot = 2.12016940074985 | epot = -24.3496233970111 | etot = -20.3050659038506
+5000  ekin = 1.35986357015476 |  erot = 1.99413493074226 | epot = -24.2789445616949 | etot = -20.9249460607979
+6000  ekin = 2.19432475124593 |  erot = 1.74281260409078 | epot = -24.2128064295788 | etot = -20.2756690742421
+7000  ekin = 2.65619274477635 |  erot = 1.74094257048458 | epot = -24.1673462333493 | etot = -19.7702109180883
+8000  ekin = 2.51333548501168 |  erot = 2.34649854571051 | epot = -24.0812769481836 | etot = -19.2214429174614
+9000  ekin = 2.24506493169711 |  erot = 2.0652555461504 | epot = -23.9906736063989 | etot = -19.6803531285514
+10000  ekin = 2.36632635249862 |  erot = 1.7959247176153 | epot = -23.9002627850602 | etot = -19.7380117149463
+   10000   0.10517006   -1.5057137  0.011947302    -1.345871 -9.5924016e-05 
+Loop time of 0.251867 on 4 procs for 10000 steps with 16 atoms
+
+Performance: 34303.820 tau/day, 39703.495 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0035377  | 0.092047   | 0.17435    |  26.0 | 36.55
+Bond    | 0.00065637 | 0.0031857  | 0.0053554  |   3.8 |  1.26
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.013929   | 0.01497    | 0.015733   |   0.6 |  5.94
+Output  | 5.0783e-05 | 5.2691e-05 | 5.3883e-05 |   0.0 |  0.02
+Modify  | 0.0013576  | 0.020825   | 0.040231   |  11.8 |  8.27
+Other   |            | 0.1208     |            |       | 47.96
+
+Nlocal:    4 ave 8 max 0 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    9 ave 10 max 8 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Neighs:    34.5 ave 67 max 0 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 138
+Ave neighs/atom = 8.625
+Ave special neighs/atom = 3.75
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1 b/examples/USER/cgdna/examples/oxDNA2/duplex1/in.duplex1
similarity index 99%
rename from examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1
rename to examples/USER/cgdna/examples/oxDNA2/duplex1/in.duplex1
index 366e5db67a..5260e51330 100644
--- a/examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex1/in.duplex1
@@ -73,6 +73,6 @@ fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${e
 #dump_modify out sort id
 #dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
 
-run 1000000
+run 10000
 
 #write_restart config.${number}.*
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1 b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
deleted file mode 100644
index 25c705daf8..0000000000
--- a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
+++ /dev/null
@@ -1,1167 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 1
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex1
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  10 atoms
-  reading velocities ...
-  10 velocities
-  10 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  8 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  2 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-set atom * mass 3.1575
-  10 settings made for mass
-
-group all type 1 4
-10 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna2/fene
-bond_coeff * 2.0 0.25 0.7564
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
-pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
-pair_coeff * * oxdna2/dh      0.1 1.0 0.815
-
-# NVE ensemble
-fix 1 all nve/dot
-#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.6274
-  ghost atom cutoff = 2.6274
-  binsize = 1.3137, bins = 31 31 31
-  6 neighbor lists, perpetual/occasional/extra = 6 0 0
-  (1) pair oxdna2/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna2/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna2/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna2/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) pair oxdna2/dh, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 3.023 | 3.023 | 3.023 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.4712768  0.009525411   -1.4617514 -5.8922361e-05 
-1000  ekin = 0.00113086229080528 |  erot = 0.0043101016040658 | epot = -14.6229549982368 | etot = -14.617514034342
-2000  ekin = 0.0044853322434243 |  erot = 0.0171407706505008 | epot = -14.6391401372615 | etot = -14.6175140343675
-3000  ekin = 0.00995035259649285 |  erot = 0.0381961780846484 | epot = -14.6656605650904 | etot = -14.6175140344093
-4000  ekin = 0.0173418024862054 |  erot = 0.0669935184860634 | epot = -14.7018493554381 | etot = -14.6175140344659
-5000  ekin = 0.0264109356286075 |  erot = 0.102878288094517 | epot = -14.7468032582586 | etot = -14.6175140345355
-6000  ekin = 0.0368533113591442 |  erot = 0.14504542056987 | epot = -14.7994127665447 | etot = -14.6175140346157
-7000  ekin = 0.0483200640564843 |  erot = 0.192565862515508 | epot = -14.8583999612756 | etot = -14.6175140347036
-8000  ekin = 0.0604312317605998 |  erot = 0.244417870131508 | epot = -14.9223631366883 | etot = -14.6175140347962
-9000  ekin = 0.0727907119671751 |  erot = 0.299521949931839 | epot = -14.989826696789 | etot = -14.6175140348899
-10000  ekin = 0.0850022498875221 |  erot = 0.356777997217902 | epot = -15.0592942820869 | etot = -14.6175140349815
-11000  ekin = 0.0966857134041704 |  erot = 0.415102860829614 | epot = -15.1293026093013 | etot = -14.6175140350675
-12000  ekin = 0.107492790688446 |  erot = 0.473466334178045 | epot = -15.1984731600115 | etot = -14.617514035145
-13000  ekin = 0.117121180381715 |  erot = 0.530923485009724 | epot = -15.2655587006029 | etot = -14.6175140352115
-14000  ekin = 0.125326348459166 |  erot = 0.586641324447693 | epot = -15.329481708172 | etot = -14.6175140352651
-15000  ekin = 0.131930017119452 |  erot = 0.639918104234695 | epot = -15.389362156659 | etot = -14.6175140353048
-16000  ekin = 0.136824741331535 |  erot = 0.690194029501056 | epot = -15.4445328061632 | etot = -14.6175140353306
-17000  ekin = 0.139974218116303 |  erot = 0.73705286614779 | epot = -15.4945411196072 | etot = -14.6175140353432
-18000  ekin = 0.141409342139924 |  erot = 0.780214750583505 | epot = -15.5391381280674 | etot = -14.617514035344
-19000  ekin = 0.14122042490348 |  erot = 0.819521373491594 | epot = -15.5782558337303 | etot = -14.6175140353352
-20000  ekin = 0.139546371890615 |  erot = 0.854915474127934 | epot = -15.6119758813378 | etot = -14.6175140353193
-21000  ekin = 0.136561897558623 |  erot = 0.886417110947779 | epot = -15.6404930438051 | etot = -14.6175140352987
-22000  ekin = 0.132464002543739 |  erot = 0.914099368829953 | epot = -15.6640774066495 | etot = -14.6175140352758
-23000  ekin = 0.127458921012922 |  erot = 0.938065991541773 | epot = -15.6830389478072 | etot = -14.6175140352525
-24000  ekin = 0.121750582423385 |  erot = 0.958432936326242 | epot = -15.6976975539802 | etot = -14.6175140352305
-25000  ekin = 0.115531361418989 |  erot = 0.97531514293118 | epot = -15.7083605395609 | etot = -14.6175140352107
-26000  ekin = 0.108975565586104 |  erot = 0.988819027952036 | epot = -15.7153086287315 | etot = -14.6175140351934
-27000  ekin = 0.102235785319049 |  erot = 0.999040485514132 | epot = -15.7187903060115 | etot = -14.6175140351783
-28000  ekin = 0.095441943431881 |  erot = 1.00606759140964 | epot = -15.7190235700066 | etot = -14.6175140351651
-29000  ekin = 0.0887026587343887 |  erot = 1.00998681843601 | epot = -15.7162035123233 | etot = -14.6175140351529
-30000  ekin = 0.0821083868014372 |  erot = 1.01089138149893 | epot = -15.7105138034411 | etot = -14.6175140351407
-31000  ekin = 0.0757357206087773 |  erot = 1.00889031641317 | epot = -15.7021400721498 | etot = -14.6175140351278
-32000  ekin = 0.0696522149388972 |  erot = 1.00411701389994 | epot = -15.691283263952 | etot = -14.6175140351132
-33000  ekin = 0.0639211300028632 |  erot = 0.996736133735177 | epot = -15.6781712988344 | etot = -14.6175140350964
-34000  ekin = 0.0586055597939536 |  erot = 0.986948071943124 | epot = -15.6630676668141 | etot = -14.617514035077
-35000  ekin = 0.0537715085519321 |  erot = 0.97499041461744 | epot = -15.6462759582244 | etot = -14.617514035055
-36000  ekin = 0.0494895953264297 |  erot = 0.961136064967259 | epot = -15.6281396953245 | etot = -14.6175140350308
-37000  ekin = 0.0458351949405726 |  erot = 0.945687966086967 | epot = -15.6090371960325 | etot = -14.617514035005
-38000  ekin = 0.0428869588016531 |  erot = 0.928970560852795 | epot = -15.5893715546332 | etot = -14.6175140349787
-39000  ekin = 0.0407237982122988 |  erot = 0.9113183396798 | epot = -15.5695561728451 | etot = -14.617514034953
-40000  ekin = 0.0394205547754457 |  erot = 0.893062038097747 | epot = -15.5499966278026 | etot = -14.6175140349294
-41000  ekin = 0.0390427256107104 |  erot = 0.874513269990878 | epot = -15.5310700305109 | etot = -14.6175140349093
-42000  ekin = 0.0396407506458402 |  erot = 0.855948622306271 | epot = -15.5131034078461 | etot = -14.617514034894
-43000  ekin = 0.0412444930542154 |  erot = 0.837594480923697 | epot = -15.4963530088628 | etot = -14.6175140348849
-44000  ekin = 0.0438586280730372 |  erot = 0.819614069272971 | epot = -15.4809867322287 | etot = -14.6175140348826
-45000  ekin = 0.0474596621516281 |  erot = 0.802098297010783 | epot = -15.4670719940501 | etot = -14.6175140348877
-46000  ekin = 0.0519951857192148 |  erot = 0.785061947877571 | epot = -15.4545711684965 | etot = -14.6175140348997
-47000  ekin = 0.0573856747191636 |  erot = 0.76844639238657 | epot = -15.4433461020232 | etot = -14.6175140349174
-48000  ekin = 0.0635286843632004 |  erot = 0.75212933501618 | epot = -15.433172054319 | etot = -14.6175140349396
-49000  ekin = 0.070304673538874 |  erot = 0.735941123250837 | epot = -15.4237598317539 | etot = -14.6175140349642
-50000  ekin = 0.0775831019857076 |  erot = 0.719686007781425 | epot = -15.4147831447563 | etot = -14.6175140349892
-51000  ekin = 0.0852270843845694 |  erot = 0.703165726695028 | epot = -15.4059068460928 | etot = -14.6175140350132
-52000  ekin = 0.0930950223451647 |  erot = 0.686202231166125 | epot = -15.396811288546 | etot = -14.6175140350347
-53000  ekin = 0.101038429252995 |  erot = 0.668656546988927 | epot = -15.3872090112954 | etot = -14.6175140350535
-54000  ekin = 0.10889654098061 |  erot = 0.650441726174306 | epot = -15.3768523022246 | etot = -14.6175140350697
-55000  ekin = 0.116489881626234 |  erot = 0.631529329348001 | epot = -15.3655332460579 | etot = -14.6175140350836
-56000  ekin = 0.12361610349192 |  erot = 0.611950383382611 | epot = -15.35308052197 | etot = -14.6175140350954
-57000  ekin = 0.130051530401153 |  erot = 0.591792721317295 | epot = -15.3393582868232 | etot = -14.6175140351048
-58000  ekin = 0.135560625193501 |  erot = 0.571196690673292 | epot = -15.3242713509773 | etot = -14.6175140351105
-59000  ekin = 0.139913350827135 |  erot = 0.550350463180279 | epot = -15.307777849119 | etot = -14.6175140351115
-60000  ekin = 0.142907875045794 |  erot = 0.529485019662529 | epot = -15.2899069298147 | etot = -14.6175140351063
-61000  ekin = 0.144394224777542 |  erot = 0.508867904998907 | epot = -15.2707761648706 | etot = -14.6175140350941
-62000  ekin = 0.144294003785763 |  erot = 0.488794507592477 | epot = -15.2506025464531 | etot = -14.6175140350748
-63000  ekin = 0.142612256998146 |  erot = 0.469576039421557 | epot = -15.2297023314688 | etot = -14.6175140350491
-64000  ekin = 0.139439544726902 |  erot = 0.45152434495459 | epot = -15.2084779247003 | etot = -14.6175140350188
-65000  ekin = 0.134944526553566 |  erot = 0.434934714913839 | epot = -15.1873932764535 | etot = -14.6175140349861
-66000  ekin = 0.129359146358223 |  erot = 0.420068607767106 | epot = -15.1669417890788 | etot = -14.6175140349535
-67000  ekin = 0.122959458764236 |  erot = 0.407138362059705 | epot = -15.1476118557469 | etot = -14.617514034923
-68000  ekin = 0.116045210525559 |  erot = 0.396295631876262 | epot = -15.1298548772986 | etot = -14.6175140348968
-69000  ekin = 0.108920722072365 |  erot = 0.38762458997195 | epot = -15.1140593469202 | etot = -14.6175140348758
-70000  ekin = 0.101878740729572 |  erot = 0.381140173640836 | epot = -15.1005329492313 | etot = -14.6175140348609
-71000  ekin = 0.0951880561484016 |  erot = 0.376791007701538 | epot = -15.0894930987019 | etot = -14.617514034852
-72000  ekin = 0.0890849677261927 |  erot = 0.374466237250371 | epot = -15.0810652398255 | etot = -14.6175140348489
-73000  ekin = 0.0837682427021612 |  erot = 0.374005347599889 | epot = -15.0752876251531 | etot = -14.617514034851
-74000  ekin = 0.0793969849744096 |  erot = 0.375210076750601 | epot = -15.0721210965825 | etot = -14.6175140348575
-75000  ekin = 0.0760907865069267 |  erot = 0.377857644572265 | epot = -15.0714624659463 | etot = -14.6175140348671
-76000  ekin = 0.0739315834908328 |  erot = 0.381714646755152 | epot = -15.0731602651247 | etot = -14.6175140348788
-77000  ekin = 0.0729667273608161 |  erot = 0.386551032956121 | epot = -15.0770317952083 | etot = -14.6175140348914
-78000  ekin = 0.073212865507933 |  erot = 0.392153586683229 | epot = -15.0828804870951 | etot = -14.617514034904
-79000  ekin = 0.074660287835072 |  erot = 0.398338263929461 | epot = -15.09051258668 | etot = -14.6175140349155
-80000  ekin = 0.0772774298944847 |  erot = 0.404960669863083 | epot = -15.0997521346826 | etot = -14.6175140349251
-81000  ekin = 0.0810152396746107 |  erot = 0.411923913359048 | epot = -15.1104531879657 | etot = -14.617514034932
-82000  ekin = 0.0858111278279411 |  erot = 0.419183131304986 | epot = -15.1225082940691 | etot = -14.6175140349362
-83000  ekin = 0.0915922459205373 |  erot = 0.426746154030553 | epot = -15.1358524348887 | etot = -14.6175140349376
-84000  ekin = 0.0982778862653023 |  erot = 0.434670094582779 | epot = -15.1504620157846 | etot = -14.6175140349365
-85000  ekin = 0.105780875252123 |  erot = 0.443054055542032 | epot = -15.1663489657278 | etot = -14.6175140349337
-86000  ekin = 0.114007936320491 |  erot = 0.452028591870552 | epot = -15.183550563121 | etot = -14.6175140349299
-87000  ekin = 0.122859117093021 |  erot = 0.461742961599068 | epot = -15.2021161136185 | etot = -14.6175140349264
-88000  ekin = 0.132226490250365 |  erot = 0.472351454260961 | epot = -15.2220919794351 | etot = -14.6175140349238
-89000  ekin = 0.14199243043518 |  erot = 0.484000150228927 | epot = -15.2435066155872 | etot = -14.6175140349231
-90000  ekin = 0.152027823848745 |  erot = 0.49681531383988 | epot = -15.2663571726137 | etot = -14.6175140349251
-91000  ekin = 0.162190574344125 |  erot = 0.510894287760631 | epot = -15.2905988970349 | etot = -14.6175140349302
-92000  ekin = 0.172324730223241 |  erot = 0.526299304076712 | epot = -15.3161380692387 | etot = -14.6175140349387
-93000  ekin = 0.182260479602514 |  erot = 0.543054150883983 | epot = -15.342828665437 | etot = -14.6175140349505
-94000  ekin = 0.191815166424497 |  erot = 0.561143224560487 | epot = -15.3704724259505 | etot = -14.6175140349655
-95000  ekin = 0.200795384589871 |  erot = 0.580512230413669 | epot = -15.398821649987 | etot = -14.6175140349834
-96000  ekin = 0.209000133284301 |  erot = 0.601069706845445 | epot = -15.4275838751336 | etot = -14.6175140350039
-97000  ekin = 0.216224974983076 |  erot = 0.622688639933065 | epot = -15.4564276499427 | etot = -14.6175140350266
-98000  ekin = 0.222267131485452 |  erot = 0.645207670246426 | epot = -15.4849888367829 | etot = -14.617514035051
-99000  ekin = 0.226931474008822 |  erot = 0.668431711040234 | epot = -15.5128772201258 | etot = -14.6175140350768
-100000  ekin = 0.230037392185194 |  erot = 0.692132125756912 | epot = -15.5396835530455 | etot = -14.6175140351034
-101000  ekin = 0.231426538774339 |  erot = 0.716046886549487 | epot = -15.5649874604541 | etot = -14.6175140351302
-102000  ekin = 0.230971416186116 |  erot = 0.739881303910906 | epot = -15.5883667552535 | etot = -14.6175140351565
-103000  ekin = 0.228584676860968 |  erot = 0.763309953365433 | epot = -15.6094086654079 | etot = -14.6175140351815
-104000  ekin = 0.224228843046698 |  erot = 0.785980326921886 | epot = -15.6277232051725 | etot = -14.6175140352039
-105000  ekin = 0.217925953180593 |  erot = 0.807518535460022 | epot = -15.6429585238635 | etot = -14.6175140352229
-106000  ekin = 0.209766205881976 |  erot = 0.827537066837565 | epot = -15.6548173079567 | etot = -14.6175140352372
-107000  ekin = 0.19991466311948 |  erot = 0.845644346598459 | epot = -15.6630730449638 | etot = -14.6175140352459
-108000  ekin = 0.188614735691129 |  erot = 0.861455562303715 | epot = -15.6675843332431 | etot = -14.6175140352483
-109000  ekin = 0.176187061061687 |  erot = 0.874603999194433 | epot = -15.6683050955002 | etot = -14.6175140352441
-110000  ekin = 0.163022626611995 |  erot = 0.88475208463374 | epot = -15.6652887464792 | etot = -14.6175140352335
-111000  ekin = 0.14956938211077 |  erot = 0.89160140093568 | epot = -15.6586848182637 | etot = -14.6175140352173
-112000  ekin = 0.136312261124986 |  erot = 0.8949011206007 | epot = -15.6487274169225 | etot = -14.6175140351968
-113000  ekin = 0.123747404857758 |  erot = 0.894454602033368 | epot = -15.6357160420648 | etot = -14.6175140351736
-114000  ekin = 0.112352324429831 |  erot = 0.890124196452667 | epot = -15.6199905560322 | etot = -14.6175140351497
-115000  ekin = 0.102554569787556 |  erot = 0.881834585426713 | epot = -15.6019031903412 | etot = -14.6175140351269
-116000  ekin = 0.0947020047096738 |  erot = 0.869575126614186 | epot = -15.5817911664307 | etot = -14.6175140351068
-117000  ekin = 0.0890378681937318 |  erot = 0.853401690493949 | epot = -15.559953593778 | etot = -14.6175140350903
-118000  ekin = 0.0856833736308548 |  erot = 0.833438318818926 | epot = -15.5366357275277 | etot = -14.6175140350779
-119000  ekin = 0.0846297171118248 |  erot = 0.809878764032089 | epot = -15.5120225162133 | etot = -14.6175140350694
-120000  ekin = 0.0857402026936468 |  erot = 0.782987649501416 | epot = -15.4862418872589 | etot = -14.6175140350638
-121000  ekin = 0.088761978164944 |  erot = 0.753100709615785 | epot = -15.4593767228408 | etot = -14.61751403506
-122000  ekin = 0.0933458418336512 |  erot = 0.720623403982127 | epot = -15.4314832808722 | etot = -14.6175140350564
-123000  ekin = 0.0990718975139699 |  erot = 0.68602719834959 | epot = -15.4026131309152 | etot = -14.6175140350516
-124000  ekin = 0.105478567535099 |  erot = 0.649842971567299 | epot = -15.3728355741467 | etot = -14.6175140350443
-125000  ekin = 0.112092583657528 |  erot = 0.61265130691034 | epot = -15.3422579256011 | etot = -14.6175140350332
-126000  ekin = 0.118457948670349 |  erot = 0.575069793125981 | epot = -15.3110417768144 | etot = -14.617514035018
-127000  ekin = 0.124162352097832 |  erot = 0.537737821903371 | epot = -15.2794142089993 | etot = -14.6175140349981
-128000  ekin = 0.128860000475183 |  erot = 0.501299660072983 | epot = -15.2476736955218 | etot = -14.6175140349736
-129000  ekin = 0.132290197681538 |  erot = 0.466386755141783 | epot = -15.2161909877681 | etot = -14.6175140349448
-130000  ekin = 0.134291248323408 |  erot = 0.433600287194685 | epot = -15.1854055704302 | etot = -14.6175140349121
-131000  ekin = 0.134809368079367 |  erot = 0.403494917851113 | epot = -15.1558183208069 | etot = -14.6175140348764
-132000  ekin = 0.133902311413259 |  erot = 0.376564532721602 | epot = -15.1279808789733 | etot = -14.6175140348385
-133000  ekin = 0.131737425950174 |  erot = 0.353230559449875 | epot = -15.1024820201993 | etot = -14.6175140347993
-134000  ekin = 0.128583872250139 |  erot = 0.333833200745338 | epot = -15.0799311077557 | etot = -14.6175140347602
-135000  ekin = 0.124798858319487 |  erot = 0.31862567876175 | epot = -15.0609385718037 | etot = -14.6175140347224
-136000  ekin = 0.12080796695122 |  erot = 0.307771366705934 | epot = -15.0460933683448 | etot = -14.6175140346877
-137000  ekin = 0.117080018573556 |  erot = 0.301343503849859 | epot = -15.0359375570811 | etot = -14.6175140346577
-138000  ekin = 0.114097404451637 |  erot = 0.299327064918768 | epot = -15.0309385040046 | etot = -14.6175140346342
-139000  ekin = 0.112323403877397 |  erot = 0.301622293047273 | epot = -15.0314597315437 | etot = -14.6175140346191
-140000  ekin = 0.112168587317134 |  erot = 0.308049410073558 | epot = -15.0377320320047 | etot = -14.617514034614
-141000  ekin = 0.113958896787483 |  erot = 0.318354084563277 | epot = -15.0498270159712 | etot = -14.6175140346204
-142000  ekin = 0.117908250110044 |  erot = 0.332213334114174 | epot = -15.0676356188633 | etot = -14.6175140346391
-143000  ekin = 0.124098500240116 |  erot = 0.349241744868859 | epot = -15.0908542797794 | etot = -14.6175140346704
-144000  ekin = 0.132469049162244 |  erot = 0.36899804234383 | epot = -15.1189811262199 | etot = -14.6175140347138
-145000  ekin = 0.142817534773294 |  erot = 0.390992018433025 | epot = -15.1513235879745 | etot = -14.6175140347682
-146000  ekin = 0.154812002594044 |  erot = 0.414692148538822 | epot = -15.1870181859643 | etot = -14.6175140348315
-147000  ekin = 0.168013608208165 |  erot = 0.43953414756317 | epot = -15.2250617906724 | etot = -14.6175140349011
-148000  ekin = 0.181907755044192 |  erot = 0.46493071599216 | epot = -15.2643525060103 | etot = -14.617514034974
-149000  ekin = 0.195940689918404 |  erot = 0.490282644230507 | epot = -15.3037373691959 | etot = -14.6175140350469
-150000  ekin = 0.209558115498161 |  erot = 0.514991307802203 | epot = -15.3420634584171 | etot = -14.6175140351168
-151000  ekin = 0.222242375358722 |  erot = 0.538472447669863 | epot = -15.3782288582089 | etot = -14.6175140351803
-152000  ekin = 0.233545181100895 |  erot = 0.560170967504241 | epot = -15.4112301838403 | etot = -14.6175140352351
-153000  ekin = 0.243113638171897 |  erot = 0.579575715963473 | epot = -15.4402033894145 | etot = -14.6175140352791
-154000  ekin = 0.250708030719563 |  erot = 0.596234520730074 | epot = -15.4644565867606 | etot = -14.617514035311
-155000  ekin = 0.256210874594961 |  erot = 0.609768185048496 | epot = -15.4834930949732 | etot = -14.6175140353298
-156000  ekin = 0.259627463842806 |  erot = 0.619882772314079 | epot = -15.4970242714923 | etot = -14.6175140353354
-157000  ekin = 0.26107875673392 |  erot = 0.626379517381585 | epot = -15.5049723094438 | etot = -14.6175140353283
-158000  ekin = 0.260787877594978 |  erot = 0.629161788909624 | epot = -15.5074637018139 | etot = -14.6175140353093
-159000  ekin = 0.259061752299553 |  erot = 0.628238692725195 | epot = -15.5048144803046 | etot = -14.6175140352799
-160000  ekin = 0.256269476948141 |  erot = 0.623725097357881 | epot = -15.4975086095477 | etot = -14.6175140352417
-161000  ekin = 0.252818974262866 |  erot = 0.615838055765116 | epot = -15.4861710652245 | etot = -14.6175140351965
-162000  ekin = 0.249133354781009 |  erot = 0.604889772114047 | epot = -15.4715371620415 | etot = -14.6175140351465
-163000  ekin = 0.245628201594233 |  erot = 0.591277407066157 | epot = -15.4544196437542 | etot = -14.6175140350938
-164000  ekin = 0.242690765770646 |  erot = 0.5754701254003 | epot = -15.4356749262112 | etot = -14.6175140350402
-165000  ekin = 0.240661818237773 |  erot = 0.557993868664013 | epot = -15.4161697218898 | etot = -14.617514034988
-166000  ekin = 0.239820672159938 |  erot = 0.539414388849556 | epot = -15.3967490959484 | etot = -14.6175140349389
-167000  ekin = 0.24037368261711 |  erot = 0.520319112884873 | epot = -15.3782068303964 | etot = -14.6175140348944
-168000  ekin = 0.24244635767351 |  erot = 0.501298426047331 | epot = -15.3612588185771 | etot = -14.6175140348562
-169000  ekin = 0.246079081489649 |  erot = 0.482926967022199 | epot = -15.3465200833372 | etot = -14.6175140348253
-170000  ekin = 0.2512263556708 |  erot = 0.465745518941327 | epot = -15.334485909415 | etot = -14.6175140348028
-171000  ekin = 0.257759407502687 |  erot = 0.450244072412507 | epot = -15.3255175147045 | etot = -14.6175140347893
-172000  ekin = 0.265471962315305 |  erot = 0.436846557572436 | epot = -15.3198325546728 | etot = -14.617514034785
-173000  ekin = 0.274088992052948 |  erot = 0.425897760801831 | epot = -15.3175007876449 | etot = -14.6175140347901
-174000  ekin = 0.283278228108448 |  erot = 0.417652965987037 | epot = -15.3184452288997 | etot = -14.6175140348042
-175000  ekin = 0.292664164217591 |  erot = 0.412270652066437 | epot = -15.3224488511105 | etot = -14.6175140348264
-176000  ekin = 0.301844276744599 |  erot = 0.409808663992694 | epot = -15.3291669755931 | etot = -14.6175140348558
-177000  ekin = 0.310407103278429 |  erot = 0.410224178772685 | epot = -15.3381453169418 | etot = -14.6175140348907
-178000  ekin = 0.317951707449239 |  erot = 0.413377690532346 | epot = -15.3488434329111 | etot = -14.6175140349295
-179000  ekin = 0.324107901132174 |  erot = 0.419041092198358 | epot = -15.3606630283006 | etot = -14.6175140349701
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-181000  ekin = 0.331047834154798 |  erot = 0.436618006901549 | epot = -15.3851798761042 | etot = -14.6175140350478
-182000  ekin = 0.331419420115411 |  erot = 0.447757936313848 | epot = -15.3966913915096 | etot = -14.6175140350804
-183000  ekin = 0.329607792338432 |  erot = 0.459899520064776 | epot = -15.4070213475094 | etot = -14.6175140351062
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-188000  ekin = 0.292899787357099 |  erot = 0.521572552051206 | epot = -15.4319863745165 | etot = -14.6175140351082
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-191000  ekin = 0.261091384545769 |  erot = 0.54908161018572 | epot = -15.4276870297764 | etot = -14.6175140350449
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-322000  ekin = 0.141309963686665 |  erot = 0.493483840953484 | epot = -15.2523078396112 | etot = -14.6175140349711
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-324000  ekin = 0.155802740978128 |  erot = 0.511838753068286 | epot = -15.285155529024 | etot = -14.6175140349776
-325000  ekin = 0.168637192339279 |  erot = 0.516129344219886 | epot = -15.3022805715426 | etot = -14.6175140349834
-326000  ekin = 0.185127492740314 |  erot = 0.517147991937071 | epot = -15.31978951967 | etot = -14.6175140349926
-327000  ekin = 0.204949583924698 |  erot = 0.515089155112464 | epot = -15.3375527740434 | etot = -14.6175140350062
-328000  ekin = 0.227565145375698 |  erot = 0.510290835145397 | epot = -15.3553700155455 | etot = -14.6175140350244
-329000  ekin = 0.252245305620947 |  erot = 0.503209396461946 | epot = -15.3729687371292 | etot = -14.6175140350463
-330000  ekin = 0.278112223737838 |  erot = 0.494390678508285 | epot = -15.3900169373164 | etot = -14.6175140350703
-331000  ekin = 0.304195517643728 |  erot = 0.484439927615862 | epot = -15.4061494803532 | etot = -14.6175140350936
-332000  ekin = 0.329497983391289 |  erot = 0.473992405220338 | epot = -15.4210044237253 | etot = -14.6175140351137
-333000  ekin = 0.353063353197021 |  erot = 0.463685785197061 | epot = -15.4342631735221 | etot = -14.617514035128
-334000  ekin = 0.374038491014966 |  erot = 0.454134842084351 | epot = -15.4456873682339 | etot = -14.6175140351346
-335000  ekin = 0.391723520498624 |  erot = 0.44590856262641 | epot = -15.4551461182577 | etot = -14.6175140351327
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-337000  ekin = 0.415374601836511 |  erot = 0.435356764652945 | epot = -15.4682454015947 | etot = -14.6175140351053
-338000  ekin = 0.420921997008494 |  erot = 0.4337688621957 | epot = -15.4722048942871 | etot = -14.6175140350829
-339000  ekin = 0.422325110445994 |  erot = 0.434953376212245 | epot = -15.4747925217162 | etot = -14.6175140350579
-340000  ekin = 0.419821259879065 |  erot = 0.438997304560045 | epot = -15.4763325994719 | etot = -14.6175140350328
-341000  ekin = 0.413775534579932 |  erot = 0.445862573585468 | epot = -15.4771521431752 | etot = -14.6175140350098
-342000  ekin = 0.404646174019828 |  erot = 0.455385967573506 | epot = -15.4775461765844 | etot = -14.617514034991
-343000  ekin = 0.392950705832007 |  erot = 0.467284215126369 | epot = -15.4777489559361 | etot = -14.6175140349777
-344000  ekin = 0.379235231728315 |  erot = 0.481164689425287 | epot = -15.4779139561242 | etot = -14.6175140349706
-345000  ekin = 0.364048459932831 |  erot = 0.49654196729344 | epot = -15.4781044621959 | etot = -14.6175140349696
-346000  ekin = 0.347921358320248 |  erot = 0.512860132814242 | epot = -15.4782955261082 | etot = -14.6175140349738
-347000  ekin = 0.331352665808313 |  erot = 0.529520204052381 | epot = -15.4783869048424 | etot = -14.6175140349817
-348000  ekin = 0.314799955037007 |  erot = 0.545911447468509 | epot = -15.478225437497 | etot = -14.6175140349915
-349000  ekin = 0.298675493175969 |  erot = 0.561444708833552 | epot = -15.4776342370106 | etot = -14.6175140350011
-350000  ekin = 0.28334581552179 |  erot = 0.575585348315622 | epot = -15.4764451988457 | etot = -14.6175140350083
-351000  ekin = 0.269133730328657 |  erot = 0.587883045338955 | epot = -15.474530810679 | etot = -14.6175140350114
-352000  ekin = 0.256321431306528 |  erot = 0.597995738138102 | epot = -15.4718312044538 | etot = -14.6175140350092
-353000  ekin = 0.245153509655857 |  erot = 0.605705335206491 | epot = -15.4683728798634 | etot = -14.617514035001
-354000  ekin = 0.235838910987786 |  erot = 0.610923562934953 | epot = -15.4642765089099 | etot = -14.6175140349872
-355000  ekin = 0.228551231301984 |  erot = 0.613687305426088 | epot = -15.4597525716969 | etot = -14.6175140349688
-356000  ekin = 0.223427131308619 |  erot = 0.61414390282533 | epot = -15.4550850690815 | etot = -14.6175140349475
-357000  ekin = 0.220563006919496 |  erot = 0.612527933402533 | epot = -15.4506049752473 | etot = -14.6175140349253
-358000  ekin = 0.220010333199303 |  erot = 0.609131855544879 | epot = -15.4466562236489 | etot = -14.6175140349047
-359000  ekin = 0.221770268741646 |  erot = 0.604273418958276 | epot = -15.443557722588 | etot = -14.6175140348881
-360000  ekin = 0.225788163654918 |  erot = 0.598262925571842 | epot = -15.4415651241044 | etot = -14.6175140348777
-361000  ekin = 0.231948578438913 |  erot = 0.59137325198523 | epot = -15.4408358652996 | etot = -14.6175140348754
-362000  ekin = 0.240071331019464 |  erot = 0.583815109039738 | epot = -15.4414004749418 | etot = -14.6175140348826
-363000  ekin = 0.249908988059078 |  erot = 0.575719406612622 | epot = -15.4431424295716 | etot = -14.6175140348999
-364000  ekin = 0.261146140583132 |  erot = 0.56712790648618 | epot = -15.4457880819966 | etot = -14.6175140349273
-365000  ekin = 0.273400773646818 |  erot = 0.557992653604894 | epot = -15.4489074622159 | etot = -14.6175140349642
-366000  ekin = 0.286228056504663 |  erot = 0.548184015757871 | epot = -15.4519261072718 | etot = -14.6175140350093
-367000  ekin = 0.299126926926786 |  erot = 0.537506547610907 | epot = -15.4541475095983 | etot = -14.6175140350606
-368000  ekin = 0.311549892639084 |  erot = 0.525721330951755 | epot = -15.4547852587065 | etot = -14.6175140351156
-369000  ekin = 0.322916493342769 |  erot = 0.512572942753926 | epot = -15.4530034712682 | etot = -14.6175140351715
-370000  ekin = 0.332630833324557 |  erot = 0.497818805481132 | epot = -15.4479636740308 | etot = -14.6175140352251
-371000  ekin = 0.340103492446634 |  erot = 0.481258447415918 | epot = -15.4388759751356 | etot = -14.6175140352731
-372000  ekin = 0.344777943664193 |  erot = 0.462760223983496 | epot = -15.4250522029596 | etot = -14.6175140353119
-373000  ekin = 0.346161332162081 |  erot = 0.442283380417406 | epot = -15.405958747918 | etot = -14.6175140353385
-374000  ekin = 0.343859062980667 |  erot = 0.419893962766177 | epot = -15.3812670610967 | etot = -14.6175140353498
-375000  ekin = 0.337612023151491 |  erot = 0.395773904235502 | epot = -15.35089996273 | etot = -14.617514035343
-376000  ekin = 0.327334336193659 |  erot = 0.370223433835828 | epot = -15.3150718053453 | etot = -14.6175140353159
-377000  ekin = 0.313148263712968 |  erot = 0.3436575453366 | epot = -15.2743198443167 | etot = -14.6175140352671
-378000  ekin = 0.295411338277735 |  erot = 0.316597454537734 | epot = -15.2295228280119 | etot = -14.6175140351964
-379000  ekin = 0.274729408510529 |  erot = 0.289657740939432 | epot = -15.1819011845551 | etot = -14.6175140351051
-380000  ekin = 0.251948675267414 |  erot = 0.263529414055011 | epot = -15.1329921243187 | etot = -14.6175140349963
-381000  ekin = 0.228120837035203 |  erot = 0.238958749468097 | epot = -15.0845936213794 | etot = -14.6175140348761
-382000  ekin = 0.204438854506746 |  erot = 0.216721270519329 | epot = -15.0386741597779 | etot = -14.6175140347518
-383000  ekin = 0.182146263755385 |  erot = 0.19759188098445 | epot = -14.9972521793722 | etot = -14.6175140346323
-384000  ekin = 0.162429780679522 |  erot = 0.182311896924387 | epot = -14.9622557121308 | etot = -14.6175140345269
-385000  ekin = 0.146310622123822 |  erot = 0.171555128911536 | epot = -14.9353797854792 | etot = -14.6175140344439
-386000  ekin = 0.134552389652403 |  erot = 0.165895597224741 | epot = -14.9179620212657 | etot = -14.6175140343886
-387000  ekin = 0.127600986328395 |  erot = 0.165779213534325 | epot = -14.9108942342266 | etot = -14.6175140343639
-388000  ekin = 0.125565151523028 |  erot = 0.171500950984996 | epot = -14.9145801368772 | etot = -14.6175140343691
-389000  ekin = 0.128237001096973 |  erot = 0.183188026636525 | epot = -14.9289390621349 | etot = -14.6175140344014
-390000  ekin = 0.135143637923168 |  erot = 0.200788930663413 | epot = -14.9534466030433 | etot = -14.6175140344567
-391000  ekin = 0.145616156499953 |  erot = 0.224068074688611 | epot = -14.9871982657191 | etot = -14.6175140345306
-392000  ekin = 0.158862235246809 |  erot = 0.252606362171908 | epot = -15.0289826320371 | etot = -14.6175140346184
-393000  ekin = 0.174032087603698 |  erot = 0.285808726839658 | epot = -15.0773548491589 | etot = -14.6175140347155
-394000  ekin = 0.190272707003915 |  erot = 0.322920107512839 | epot = -15.1307068493349 | etot = -14.6175140348181
-395000  ekin = 0.206769905102427 |  erot = 0.363051013228117 | epot = -15.1873349532527 | etot = -14.6175140349221
-396000  ekin = 0.222780272470673 |  erot = 0.405212687947374 | epot = -15.2455069954414 | etot = -14.6175140350234
-397000  ekin = 0.23765569871957 |  erot = 0.448360183482314 | epot = -15.3035299173199 | etot = -14.6175140351181
-398000  ekin = 0.250862154070767 |  erot = 0.491439914329226 | epot = -15.3598161036022 | etot = -14.6175140352022
-399000  ekin = 0.261993055954332 |  erot = 0.533437059170117 | epot = -15.4129441503972 | etot = -14.6175140352727
-400000  ekin = 0.270776550507805 |  erot = 0.573417887949047 | epot = -15.4617084737844 | etot = -14.6175140353276
-401000  ekin = 0.277075831016468 |  erot = 0.610562842823497 | epot = -15.505152709206 | etot = -14.6175140353661
-402000  ekin = 0.280882158892238 |  erot = 0.644187798759039 | epot = -15.5425839930397 | etot = -14.6175140353884
-403000  ekin = 0.282301228579434 |  erot = 0.67375296864169 | epot = -15.5735682326173 | etot = -14.6175140353962
-404000  ekin = 0.281534519812515 |  erot = 0.698860907481897 | epot = -15.5979094626858 | etot = -14.6175140353913
-405000  ekin = 0.278857975737129 |  erot = 0.719246574878127 | epot = -15.6156185859915 | etot = -14.6175140353763
-406000  ekin = 0.274600555759476 |  erot = 0.734763157396773 | epot = -15.6268777485094 | etot = -14.6175140353531
-407000  ekin = 0.269124923358509 |  erot = 0.745367259285043 | epot = -15.6320062179672 | etot = -14.6175140353237
-408000  ekin = 0.26281185316572 |  erot = 0.751106276665205 | epot = -15.63143216512 | etot = -14.6175140352891
-409000  ekin = 0.256049112192118 |  erot = 0.752109968276165 | epot = -15.6256731157185 | etot = -14.6175140352503
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-411000  ekin = 0.242720888553438 |  erot = 0.740809103918405 | epot = -15.6010440276326 | etot = -14.6175140351607
-412000  ekin = 0.236916379506096 |  erot = 0.729136085380813 | epot = -15.5835664999974 | etot = -14.6175140351105
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-414000  ekin = 0.228867632642245 |  erot = 0.695838652585844 | epot = -15.5422203202303 | etot = -14.6175140350022
-415000  ekin = 0.227317772307857 |  erot = 0.67522569539618 | epot = -15.520057502651 | etot = -14.6175140349469
-416000  ekin = 0.227838940777609 |  erot = 0.652708261105125 | epot = -15.4980612367764 | etot = -14.6175140348937
-417000  ekin = 0.230697970866892 |  erot = 0.628857925336008 | epot = -15.477069931048 | etot = -14.6175140348451
-418000  ekin = 0.236104416120682 |  erot = 0.604232291329717 | epot = -15.4578507422538 | etot = -14.6175140348034
-419000  ekin = 0.244194252200402 |  erot = 0.579351108945084 | epot = -15.4410593959167 | etot = -14.6175140347712
-420000  ekin = 0.255014214168465 |  erot = 0.554674986841137 | epot = -15.4272032357599 | etot = -14.6175140347503
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-423000  ekin = 0.302732060426935 |  erot = 0.485299248118974 | epot = -15.4055453433094 | etot = -14.6175140347635
-424000  ekin = 0.322778728051397 |  erot = 0.464438075670481 | epot = -15.4047308385137 | etot = -14.6175140347918
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-428000  ekin = 0.409880900047521 |  erot = 0.393856678091914 | epot = -15.4212516131094 | etot = -14.61751403497
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-444000  ekin = 0.358304425136815 |  erot = 0.324393298190027 | epot = -15.3002117582203 | etot = -14.6175140348934
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-446000  ekin = 0.322237701351825 |  erot = 0.336636009507997 | epot = -15.2763877457241 | etot = -14.6175140348643
-447000  ekin = 0.306253086583715 |  erot = 0.343428242757654 | epot = -15.2671953641993 | etot = -14.6175140348579
-448000  ekin = 0.291909091343981 |  erot = 0.350538602019956 | epot = -15.2599617282208 | etot = -14.6175140348568
-449000  ekin = 0.279285717664383 |  erot = 0.357880263087869 | epot = -15.254680015613 | etot = -14.6175140348608
-450000  ekin = 0.268379332693761 |  erot = 0.365360767815961 | epot = -15.2512541353793 | etot = -14.6175140348696
-451000  ekin = 0.259117719163038 |  erot = 0.372869677558774 | epot = -15.2495014316051 | etot = -14.6175140348833
-452000  ekin = 0.251373384973841 |  erot = 0.380268095669017 | epot = -15.2491555155445 | etot = -14.6175140349017
-453000  ekin = 0.244974824127976 |  erot = 0.387382402362654 | epot = -15.2498712614149 | etot = -14.6175140349243
-454000  ekin = 0.239716691076602 |  erot = 0.394004131859282 | epot = -15.251234857886 | etot = -14.6175140349502
-455000  ekin = 0.235370413814525 |  erot = 0.399897145639886 | epot = -15.252781594432 | etot = -14.6175140349776
-456000  ekin = 0.231696513790873 |  erot = 0.404812188422494 | epot = -15.254022737218 | etot = -14.6175140350046
-457000  ekin = 0.22845901443235 |  erot = 0.408507709512941 | epot = -15.2544807589739 | etot = -14.6175140350286
-458000  ekin = 0.225441196082655 |  erot = 0.410774705621955 | epot = -15.2537299367515 | etot = -14.6175140350469
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-466000  ekin = 0.198330130961176 |  erot = 0.379139817336958 | epot = -15.1949839831793 | etot = -14.6175140348812
-467000  ekin = 0.195213224017119 |  erot = 0.373028711257446 | epot = -15.1857559701151 | etot = -14.6175140348405
-468000  ekin = 0.192562810062153 |  erot = 0.367919448414883 | epot = -15.1779962932808 | etot = -14.6175140348038
-469000  ekin = 0.190499545154762 |  erot = 0.364261004085585 | epot = -15.1722745840131 | etot = -14.6175140347728
-470000  ekin = 0.189122086032732 |  erot = 0.362436180586967 | epot = -15.1690723013685 | etot = -14.6175140347488
-471000  ekin = 0.188506156938858 |  erot = 0.362741456207262 | epot = -15.1687616478786 | etot = -14.6175140347325
-472000  ekin = 0.188707621222383 |  erot = 0.365373993438327 | epot = -15.1715956493846 | etot = -14.6175140347239
-473000  ekin = 0.189768618622269 |  erot = 0.370426120543873 | epot = -15.1777087738884 | etot = -14.6175140347222
-474000  ekin = 0.191725397341757 |  erot = 0.377886798112627 | epot = -15.1871262301808 | etot = -14.6175140347264
-475000  ekin = 0.194616213071354 |  erot = 0.387648901412458 | epot = -15.1997791492193 | etot = -14.6175140347355
-476000  ekin = 0.198487636161311 |  erot = 0.39952067815555 | epot = -15.2155223490652 | etot = -14.6175140347483
-477000  ekin = 0.203397790430554 |  erot = 0.413239540254437 | epot = -15.2341513654491 | etot = -14.6175140347641
-478000  ekin = 0.209415519783972 |  erot = 0.42848646692651 | epot = -15.2554160214928 | etot = -14.6175140347823
-479000  ekin = 0.216615156595466 |  erot = 0.444899686771501 | epot = -15.2790288781697 | etot = -14.6175140348028
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-483000  ekin = 0.258322039581452 |  erot = 0.514126984880453 | epot = -15.3899630593723 | etot = -14.6175140349104
-484000  ekin = 0.27197166705544 |  erot = 0.530229960568061 | epot = -15.4197156625675 | etot = -14.617514034944
-485000  ekin = 0.28673803081022 |  erot = 0.545036619609118 | epot = -15.4492886853988 | etot = -14.6175140349795
-486000  ekin = 0.302435294442587 |  erot = 0.558182125190107 | epot = -15.4781314546481 | etot = -14.6175140350154
-487000  ekin = 0.318825369858622 |  erot = 0.569345540302361 | epot = -15.5056849452114 | etot = -14.6175140350504
-488000  ekin = 0.335629120856587 |  erot = 0.578262027782387 | epot = -15.5314051837218 | etot = -14.6175140350828
-489000  ekin = 0.352541803825709 |  erot = 0.584733173542209 | epot = -15.5547890124787 | etot = -14.6175140351108
-490000  ekin = 0.369251041133789 |  erot = 0.588633902376135 | epot = -15.5753989786432 | etot = -14.6175140351333
-491000  ekin = 0.385455339944 |  erot = 0.589914693970006 | epot = -15.5928840690632 | etot = -14.6175140351492
-492000  ekin = 0.400881156478982 |  erot = 0.588598334680707 | epot = -15.6069935263179 | etot = -14.6175140351582
-493000  ekin = 0.415296746377544 |  erot = 0.584771169137607 | epot = -15.6175819506758 | etot = -14.6175140351607
-494000  ekin = 0.428521503102922 |  erot = 0.578569614095767 | epot = -15.6246051523561 | etot = -14.6175140351574
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-496000  ekin = 0.450950706316723 |  erot = 0.559737766477561 | epot = -15.628202507933 | etot = -14.6175140351387
-497000  ekin = 0.460059581798179 |  erot = 0.547476355485722 | epot = -15.6250499724103 | etot = -14.6175140351264
-498000  ekin = 0.467769906492305 |  erot = 0.533547985555255 | epot = -15.6188319271617 | etot = -14.6175140351141
-499000  ekin = 0.474119221073068 |  erot = 0.518098277332677 | epot = -15.6097315335085 | etot = -14.6175140351028
-500000  ekin = 0.479155106635165 |  erot = 0.50124797893749 | epot = -15.5979171206657 | etot = -14.617514035093
-501000  ekin = 0.482921233338954 |  erot = 0.483098304082639 | epot = -15.5835335725064 | etot = -14.6175140350848
-502000  ekin = 0.485445093649074 |  erot = 0.463742920559534 | epot = -15.5667020492864 | etot = -14.6175140350778
-503000  ekin = 0.486728599209635 |  erot = 0.443285305605599 | epot = -15.5475279398862 | etot = -14.617514035071
-504000  ekin = 0.486742408087914 |  erot = 0.42185937463177 | epot = -15.5261158177829 | etot = -14.6175140350632
-505000  ekin = 0.485424480827684 |  erot = 0.399650657768078 | epot = -15.5025891736488 | etot = -14.6175140350531
-506000  ekin = 0.482682973411861 |  erot = 0.376914939267211 | epot = -15.4771119477183 | etot = -14.6175140350393
-507000  ekin = 0.478403198154604 |  erot = 0.353991273961022 | epot = -15.4499085071364 | etot = -14.6175140350208
-508000  ekin = 0.472458052935435 |  erot = 0.33130671013391 | epot = -15.4212787980667 | etot = -14.6175140349973
-509000  ekin = 0.464721062855385 |  erot = 0.309370883447746 | epot = -15.3916059812719 | etot = -14.6175140349688
-510000  ekin = 0.455081004104092 |  erot = 0.288759823578743 | epot = -15.3613548626187 | etot = -14.6175140349359
-511000  ekin = 0.443456979180403 |  erot = 0.270089690707412 | epot = -15.3310607047875 | etot = -14.6175140348997
-512000  ekin = 0.429812848219576 |  erot = 0.253982534898693 | epot = -15.3013094179802 | etot = -14.617514034862
-513000  ekin = 0.414169942618991 |  erot = 0.241027258547331 | epot = -15.2727112359909 | etot = -14.6175140348246
-514000  ekin = 0.396617122319463 |  erot = 0.231739657368321 | epot = -15.2458708144771 | etot = -14.6175140347893
-515000  ekin = 0.377317407138792 |  erot = 0.2265255487572 | epot = -15.221356990654 | etot = -14.617514034758
-516000  ekin = 0.356510629533619 |  erot = 0.225650587239691 | epot = -15.1996752515051 | etot = -14.6175140347318
-517000  ekin = 0.334511811731562 |  erot = 0.229219509886498 | epot = -15.18124535633 | etot = -14.6175140347119
-518000  ekin = 0.311705249160027 |  erot = 0.237166415926756 | epot = -15.1663856997855 | etot = -14.6175140346987
-519000  ekin = 0.288534562405514 |  erot = 0.24925645619383 | epot = -15.1553050532917 | etot = -14.6175140346924
-520000  ekin = 0.265489234982409 |  erot = 0.265098165451265 | epot = -15.1481014351262 | etot = -14.6175140346926
-521000  ekin = 0.243088358087734 |  erot = 0.28416474516013 | epot = -15.1447671379465 | etot = -14.6175140346986
-522000  ekin = 0.221862437060796 |  erot = 0.305821970140485 | epot = -15.1451984419112 | etot = -14.6175140347099
-523000  ekin = 0.202334169776219 |  erot = 0.329360070797331 | epot = -15.1492082752991 | etot = -14.6175140347255
-524000  ekin = 0.184999091076192 |  erot = 0.354026911471077 | epot = -15.1565400372919 | etot = -14.6175140347446
-525000  ekin = 0.170306912739357 |  erot = 0.379059948771681 | epot = -15.1668808962775 | etot = -14.6175140347665
-526000  ekin = 0.158644243148446 |  erot = 0.403715126925617 | epot = -15.1798734048646 | etot = -14.6175140347905
-527000  ekin = 0.150319367666608 |  erot = 0.42729102581269 | epot = -15.1951244282959 | etot = -14.6175140348166
-528000  ekin = 0.145549592055317 |  erot = 0.449147424933789 | epot = -15.2122110518333 | etot = -14.6175140348442
-529000  ekin = 0.144451603984813 |  erot = 0.468718121850924 | epot = -15.2306837607091 | etot = -14.6175140348734
-530000  ekin = 0.147035267138347 |  erot = 0.485518371011576 | epot = -15.2500676730542 | etot = -14.6175140349043
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-532000  ekin = 0.162742448479711 |  erot = 0.509290301682675 | epot = -15.2895467851327 | etot = -14.6175140349703
-533000  ekin = 0.17535035488191 |  erot = 0.515711587206687 | epot = -15.3085759770934 | etot = -14.6175140350048
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-535000  ekin = 0.208088493536815 |  erot = 0.516850140104718 | epot = -15.3424526687142 | etot = -14.6175140350727
-536000  ekin = 0.227204325842678 |  erot = 0.511491240065689 | epot = -15.3562096010119 | etot = -14.6175140351036
-537000  ekin = 0.247396768812971 |  erot = 0.502260311074144 | epot = -15.3671711150173 | etot = -14.6175140351302
-538000  ekin = 0.268074342413378 |  erot = 0.489319600961445 | epot = -15.3749079785256 | etot = -14.6175140351508
-539000  ekin = 0.288653182933434 |  erot = 0.472917679672164 | epot = -15.3790848977693 | etot = -14.6175140351637
-540000  ekin = 0.308579985825766 |  erot = 0.453392904739558 | epot = -15.3794869257329 | etot = -14.6175140351676
-541000  ekin = 0.327353008191228 |  erot = 0.431174973010935 | epot = -15.3760420163632 | etot = -14.6175140351611
-542000  ekin = 0.344539853506947 |  erot = 0.406783142888998 | epot = -15.3688370315398 | etot = -14.6175140351439
-543000  ekin = 0.359790986513975 |  erot = 0.380819988063775 | epot = -15.3581250096939 | etot = -14.6175140351162
-544000  ekin = 0.372848263090832 |  erot = 0.35396003067243 | epot = -15.344322328842 | etot = -14.6175140350787
-545000  ekin = 0.383548167009797 |  erot = 0.32693321248176 | epot = -15.3279954145248 | etot = -14.6175140350332
-546000  ekin = 0.39181986738573 |  erot = 0.300503784237963 | epot = -15.3098376866052 | etot = -14.6175140349816
-547000  ekin = 0.397678590182378 |  erot = 0.27544571388707 | epot = -15.2906383389957 | etot = -14.6175140349263
-548000  ekin = 0.401215088504814 |  erot = 0.25251605036599 | epot = -15.2712451737407 | etot = -14.6175140348699
-549000  ekin = 0.402582175512773 |  erot = 0.232427794767611 | epot = -15.2525240050959 | etot = -14.6175140348155
-550000  ekin = 0.401979352687952 |  erot = 0.21582374083298 | epot = -15.2353171282862 | etot = -14.6175140347652
-551000  ekin = 0.399636550193979 |  erot = 0.203252510909713 | epot = -15.220403095825 | etot = -14.6175140347213
-552000  ekin = 0.395797934840878 |  erot = 0.195147714573752 | epot = -15.2084596841006 | etot = -14.617514034686
-553000  ekin = 0.390706676476181 |  erot = 0.191810879117309 | epot = -15.2000315902546 | etot = -14.6175140346611
-554000  ekin = 0.384591526958083 |  erot = 0.193398609454344 | epot = -15.1955041710601 | etot = -14.6175140346477
-555000  ekin = 0.377656068332665 |  erot = 0.199914362893988 | epot = -15.1950844658734 | etot = -14.6175140346468
-556000  ekin = 0.370071512615674 |  erot = 0.211205266307097 | epot = -15.1987908135806 | etot = -14.6175140346578
-557000  ekin = 0.361973939272807 |  erot = 0.226964515102961 | epot = -15.2064524890562 | etot = -14.6175140346805
-558000  ekin = 0.353466765020814 |  erot = 0.246739996102198 | epot = -15.2177207958362 | etot = -14.6175140347132
-559000  ekin = 0.344628961765223 |  erot = 0.26994976567065 | epot = -15.2320927621895 | etot = -14.6175140347536
-560000  ekin = 0.335528980568069 |  erot = 0.295904778796301 | epot = -15.2489477941631 | etot = -14.6175140347987
-561000  ekin = 0.326243446081701 |  erot = 0.323838714909082 | epot = -15.2675961958353 | etot = -14.6175140348445
-562000  ekin = 0.316878486813716 |  erot = 0.352943857553535 | epot = -15.2873363792543 | etot = -14.617514034887
-563000  ekin = 0.307590234582006 |  erot = 0.382410843957942 | epot = -15.3075151134627 | etot = -14.6175140349228
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-580000  ekin = 0.351854361646189 |  erot = 0.557326170820722 | epot = -15.526694567521 | etot = -14.617514035054
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-588000  ekin = 0.414519545772962 |  erot = 0.449492951760492 | epot = -15.4815265325182 | etot = -14.6175140349848
-589000  ekin = 0.419597612555348 |  erot = 0.433900487905301 | epot = -15.4710121354448 | etot = -14.6175140349842
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-593000  ekin = 0.430723706116628 |  erot = 0.371594936609101 | epot = -15.4198326777017 | etot = -14.617514034976
-594000  ekin = 0.430768094953851 |  erot = 0.356614269836485 | epot = -15.4048963997596 | etot = -14.6175140349693
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-604000  ekin = 0.36975811222467 |  erot = 0.264712769809215 | epot = -15.2519849168554 | etot = -14.6175140348215
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-606000  ekin = 0.349342882571473 |  erot = 0.266854337886995 | epot = -15.2337112552696 | etot = -14.6175140348112
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-608000  ekin = 0.328827538259548 |  erot = 0.276538908097638 | epot = -15.2228804811762 | etot = -14.617514034819
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-610000  ekin = 0.30915654256846 |  erot = 0.292413461056469 | epot = -15.219084038467 | etot = -14.617514034842
-611000  ekin = 0.299881272108338 |  erot = 0.302028697870661 | epot = -15.2194240048357 | etot = -14.6175140348567
-612000  ekin = 0.291099167856369 |  erot = 0.312351863790414 | epot = -15.2209650665183 | etot = -14.6175140348715
-613000  ekin = 0.282905257831717 |  erot = 0.323057294042809 | epot = -15.2234765867597 | etot = -14.6175140348852
-614000  ekin = 0.275407632339979 |  erot = 0.333823223653552 | epot = -15.2267448908899 | etot = -14.6175140348964
-615000  ekin = 0.268733725567263 |  erot = 0.344345386321353 | epot = -15.2305931467927 | etot = -14.6175140349041
-616000  ekin = 0.26303418113654 |  erot = 0.354347879927357 | epot = -15.2348960959719 | etot = -14.617514034908
-617000  ekin = 0.258483071857804 |  erot = 0.363590372787407 | epot = -15.2395874795532 | etot = -14.617514034908
-618000  ekin = 0.255273496413556 |  erot = 0.37187125453879 | epot = -15.2446587858571 | etot = -14.6175140349048
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-620000  ekin = 0.253683881421971 |  erot = 0.38492793451358 | epot = -15.2561258508295 | etot = -14.6175140348939
-621000  ekin = 0.255674023709782 |  erot = 0.389473226071952 | epot = -15.2626612846714 | etot = -14.6175140348897
-622000  ekin = 0.259704853367547 |  erot = 0.392583779639718 | epot = -15.2698026678959 | etot = -14.6175140348886
-623000  ekin = 0.26583342999938 |  erot = 0.394197274405698 | epot = -15.2775447392974 | etot = -14.6175140348924
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-627000  ekin = 0.309019727829642 |  erot = 0.384944676504115 | epot = -15.3114784392987 | etot = -14.6175140349649
-628000  ekin = 0.322940275279045 |  erot = 0.378706350959298 | epot = -15.3191606612307 | etot = -14.6175140349924
-629000  ekin = 0.33714704369826 |  erot = 0.371025698974093 | epot = -15.3256867776909 | etot = -14.6175140350185
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-635000  ekin = 0.39743609727868 |  erot = 0.309588318033233 | epot = -15.3245384503017 | etot = -14.6175140349898
-636000  ekin = 0.399651602685356 |  erot = 0.300988094378316 | epot = -15.318153732009 | etot = -14.6175140349453
-637000  ekin = 0.399301141333133 |  erot = 0.294422893568946 | epot = -15.3112380697961 | etot = -14.6175140348941
-638000  ekin = 0.396556439147412 |  erot = 0.290509369489622 | epot = -15.3045798434768 | etot = -14.6175140348397
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-640000  ekin = 0.385064212934167 |  erot = 0.292799653113662 | epot = -15.2953779007848 | etot = -14.617514034737
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-642000  ekin = 0.368152133961519 |  erot = 0.311133625026294 | epot = -15.296799793651 | etot = -14.6175140346632
-643000  ekin = 0.358727298275115 |  erot = 0.326760494743852 | epot = -15.3030018276615 | etot = -14.6175140346425
-644000  ekin = 0.349210670243501 |  erot = 0.346622862554313 | epot = -15.3133475674318 | etot = -14.617514034634
-645000  ekin = 0.339977915474887 |  erot = 0.370474376280179 | epot = -15.3279663263927 | etot = -14.6175140346377
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-649000  ekin = 0.311528303721762 |  erot = 0.496226945506592 | epot = -15.4252692839889 | etot = -14.6175140347606
-650000  ekin = 0.307371814502042 |  erot = 0.531990113312007 | epot = -15.4568759626268 | etot = -14.6175140348128
-651000  ekin = 0.304476169211518 |  erot = 0.567957247023611 | epot = -15.4899474511058 | etot = -14.6175140348706
-652000  ekin = 0.302748327843053 |  erot = 0.603320352539316 | epot = -15.523582715315 | etot = -14.6175140349326
-653000  ekin = 0.302022769689551 |  erot = 0.637281675063945 | epot = -15.5568184797506 | etot = -14.6175140349971
-654000  ekin = 0.302067723594143 |  erot = 0.669074745116215 | epot = -15.5886565037724 | etot = -14.617514035062
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-656000  ekin = 0.30327116127365 |  erot = 0.723368330432018 | epot = -15.6441535268902 | etot = -14.6175140351846
-657000  ekin = 0.303736663270782 |  erot = 0.744673311812384 | epot = -15.6659240103206 | etot = -14.6175140352374
-658000  ekin = 0.303620889262373 |  erot = 0.761457272710321 | epot = -15.6825921972542 | etot = -14.6175140352815
-659000  ekin = 0.302563666907973 |  erot = 0.773404945480973 | epot = -15.6934826477033 | etot = -14.6175140353143
-660000  ekin = 0.30023539569508 |  erot = 0.780343280385769 | epot = -15.698092711415 | etot = -14.6175140353342
-661000  ekin = 0.296355710531891 |  erot = 0.782250083093068 | epot = -15.6961198289648 | etot = -14.6175140353398
-662000  ekin = 0.290710478297174 |  erot = 0.779257959177616 | epot = -15.6874824728051 | etot = -14.6175140353303
-663000  ekin = 0.283165147463628 |  erot = 0.771650651991629 | epot = -15.6723298347615 | etot = -14.6175140353062
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-665000  ekin = 0.262280913452373 |  erot = 0.744397727319011 | epot = -15.6241926759904 | etot = -14.617514035219
-666000  ekin = 0.249123647022469 |  erot = 0.725921231744643 | epot = -15.5925589139278 | etot = -14.6175140351607
-667000  ekin = 0.234422061210132 |  erot = 0.705104954964981 | epot = -15.5570410512716 | etot = -14.6175140350965
-668000  ekin = 0.218471158369307 |  erot = 0.682650243124726 | epot = -15.5186354365237 | etot = -14.6175140350297
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-674000  ekin = 0.119064262674554 |  erot = 0.546415679820826 | epot = -15.2829939772136 | etot = -14.6175140347183
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-677000  ekin = 0.0868074519861716 |  erot = 0.491297978909916 | epot = -15.1956194655684 | etot = -14.6175140346723
-678000  ekin = 0.0812485969712638 |  erot = 0.474905301099129 | epot = -15.1736679327428 | etot = -14.6175140346724
-679000  ekin = 0.078717761980004 |  erot = 0.459143233464715 | epot = -15.1553750301235 | etot = -14.6175140346788
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-684000  ekin = 0.112958164258862 |  erot = 0.381423459018558 | epot = -15.1118956580575 | etot = -14.61751403478
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-686000  ekin = 0.144995008361598 |  erot = 0.348018922992613 | epot = -15.1105279661894 | etot = -14.6175140348352
-687000  ekin = 0.163316207854765 |  erot = 0.330783730220992 | epot = -15.1116139729366 | etot = -14.6175140348609
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-704000  ekin = 0.26294104616422 |  erot = 0.297126498876385 | epot = -15.1775815797744 | etot = -14.6175140347338
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-754000  ekin = 0.246585878546982 |  erot = 0.395880964578682 | epot = -15.2599808780245 | etot = -14.6175140348988
-755000  ekin = 0.240764398113247 |  erot = 0.364890850085507 | epot = -15.2231692830502 | etot = -14.6175140348515
-756000  ekin = 0.233464471043397 |  erot = 0.336201330030416 | epot = -15.1871798358858 | etot = -14.6175140348119
-757000  ekin = 0.22484246715835 |  erot = 0.310323830730206 | epot = -15.15268033267 | etot = -14.6175140347814
-758000  ekin = 0.215051562421395 |  erot = 0.287636293952656 | epot = -15.1202018911341 | etot = -14.61751403476
-759000  ekin = 0.204242275876241 |  erot = 0.26838075350982 | epot = -15.0901370641326 | etot = -14.6175140347466
-760000  ekin = 0.192568636065448 |  erot = 0.252669695562805 | epot = -15.062752366368 | etot = -14.6175140347397
-761000  ekin = 0.180198520175862 |  erot = 0.240499428911612 | epot = -15.0382119838248 | etot = -14.6175140347373
-762000  ekin = 0.167326299029169 |  erot = 0.231768292967749 | epot = -15.016608626734 | etot = -14.6175140347371
-763000  ekin = 0.154185685901938 |  erot = 0.226297425416151 | epot = -14.997997146055 | etot = -14.6175140347369
-764000  ekin = 0.14106063274887 |  erot = 0.22385200334861 | epot = -14.9824266708324 | etot = -14.6175140347349
-765000  ekin = 0.128292252296672 |  erot = 0.224161332818099 | epot = -14.9699676198448 | etot = -14.6175140347301
-766000  ekin = 0.116280064488082 |  erot = 0.226936813023217 | epot = -14.9607309122327 | etot = -14.6175140347214
-767000  ekin = 0.105476340626952 |  erot = 0.231887507270348 | epot = -14.9548778826068 | etot = -14.6175140347095
-768000  ekin = 0.0963728909459186 |  erot = 0.238733641345068 | epot = -14.9526205669854 | etot = -14.6175140346944
-769000  ekin = 0.0894802427431469 |  erot = 0.247218655408997 | epot = -14.9542129328296 | etot = -14.6175140346774
-770000  ekin = 0.0852997361092876 |  erot = 0.257120353608144 | epot = -14.9599341243774 | etot = -14.61751403466
-771000  ekin = 0.0842896183570361 |  erot = 0.268261228608818 | epot = -14.9700648816097 | etot = -14.6175140346439
-772000  ekin = 0.0868267987477087 |  erot = 0.280517313419977 | epot = -14.984858146799 | etot = -14.6175140346314
-773000  ekin = 0.0931666172479923 |  erot = 0.29382416266008 | epot = -15.004504814533 | etot = -14.6175140346249
-774000  ekin = 0.103403843826641 |  erot = 0.308178073397097 | epot = -15.0290959518507 | etot = -14.6175140346269
-775000  ekin = 0.117439110045724 |  erot = 0.323630675217774 | epot = -15.0585838199035 | etot = -14.61751403464
-776000  ekin = 0.134955835365939 |  erot = 0.340275613675428 | epot = -15.0927454837075 | etot = -14.6175140346662
-777000  ekin = 0.155413263635942 |  erot = 0.358227842745886 | epot = -15.1311551410881 | etot = -14.6175140347063
-778000  ekin = 0.178060391221854 |  erot = 0.377596905889472 | epot = -15.1731713318715 | etot = -14.6175140347601
-779000  ekin = 0.201973803865606 |  erot = 0.398457850158034 | epot = -15.217945688849 | etot = -14.6175140348253
-780000  ekin = 0.226119091214232 |  erot = 0.420824480238242 | epot = -15.2644576063504 | etot = -14.6175140348979
-781000  ekin = 0.24943115662658 |  erot = 0.444629585314812 | epot = -15.311574776914 | etot = -14.6175140349726
-782000  ekin = 0.270904470269597 |  erot = 0.469715692367534 | epot = -15.3581341976802 | etot = -14.617514035043
-783000  ekin = 0.28968127378351 |  erot = 0.495837747641239 | epot = -15.4030330565279 | etot = -14.6175140351032
-784000  ekin = 0.305125009986887 |  erot = 0.522676532161855 | epot = -15.4453155772971 | etot = -14.6175140351484
-785000  ekin = 0.316868262923396 |  erot = 0.54985935370727 | epot = -15.4842416518065 | etot = -14.6175140351758
-786000  ekin = 0.324828845889219 |  erot = 0.576983310022926 | epot = -15.5193261910972 | etot = -14.6175140351851
-787000  ekin = 0.329193233879357 |  erot = 0.603636505801434 | epot = -15.550343774859 | etot = -14.6175140351782
-788000  ekin = 0.330371864852122 |  erot = 0.629413875563613 | epot = -15.5772997755747 | etot = -14.617514035159
-789000  ekin = 0.328934711355469 |  erot = 0.653926193132238 | epot = -15.6003749396201 | etot = -14.6175140351324
-790000  ekin = 0.325537319473758 |  erot = 0.676802790006183 | epot = -15.6198541445837 | etot = -14.6175140351038
-791000  ekin = 0.32084726793344 |  erot = 0.69768994321138 | epot = -15.6360512462227 | etot = -14.6175140350779
-792000  ekin = 0.315479253539376 |  erot = 0.716247584423856 | epot = -15.6492408730215 | etot = -14.6175140350583
-793000  ekin = 0.309944490982093 |  erot = 0.732146955921931 | epot = -15.6596054819516 | etot = -14.6175140350476
-794000  ekin = 0.304617480925228 |  erot = 0.745071299199299 | epot = -15.6672028151708 | etot = -14.6175140350463
-795000  ekin = 0.299720880976412 |  erot = 0.754720862084488 | epot = -15.6719557781149 | etot = -14.617514035054
-796000  ekin = 0.29532739618015 |  erot = 0.760822658787176 | epot = -15.6736640900359 | etot = -14.6175140350686
-797000  ekin = 0.291376296851662 |  erot = 0.763144639344813 | epot = -15.6720349712838 | etot = -14.6175140350874
-798000  ekin = 0.287701294703692 |  erot = 0.761513269131305 | epot = -15.6667285989415 | etot = -14.6175140351065
-799000  ekin = 0.284065979572203 |  erot = 0.755832991336525 | epot = -15.6574130060308 | etot = -14.617514035122
-800000  ekin = 0.280202790631629 |  erot = 0.746105645863904 | epot = -15.643822471626 | etot = -14.6175140351305
-801000  ekin = 0.275851560112625 |  erot = 0.732447665813198 | epot = -15.6258132610544 | etot = -14.6175140351285
-802000  ekin = 0.27079403443356 |  erot = 0.715102809072512 | epot = -15.6034108786199 | etot = -14.6175140351138
-803000  ekin = 0.264881442636428 |  erot = 0.694448356025774 | epot = -15.5768438337476 | etot = -14.6175140350854
-804000  ekin = 0.258053167891064 |  erot = 0.670993199746582 | epot = -15.5465604026809 | etot = -14.6175140350432
-805000  ekin = 0.250345604728439 |  erot = 0.64536694143664 | epot = -15.5132265811537 | etot = -14.6175140349886
-806000  ekin = 0.241890533712057 |  erot = 0.618299214644394 | epot = -15.4777037832804 | etot = -14.6175140349239
-807000  ekin = 0.232905655207338 |  erot = 0.590591287736413 | epot = -15.4410109777962 | etot = -14.6175140348525
-808000  ekin = 0.223678061733332 |  erot = 0.563080896688416 | epot = -15.4042729931999 | etot = -14.6175140347781
-809000  ekin = 0.214543035230941 |  erot = 0.536602758842007 | epot = -15.3686598287782 | etot = -14.6175140347053
-810000  ekin = 0.20586048831352 |  erot = 0.511947500023869 | epot = -15.3353220229752 | etot = -14.6175140346378
-811000  ekin = 0.197991117805961 |  erot = 0.489821758278059 | epot = -15.3053269106636 | etot = -14.6175140345796
-812000  ekin = 0.191273941671482 |  erot = 0.470812030934247 | epot = -15.2796000071394 | etot = -14.6175140345337
-813000  ekin = 0.186006404369946 |  erot = 0.455354451062637 | epot = -15.2588748899354 | etot = -14.6175140345029
-814000  ekin = 0.182427753712325 |  erot = 0.443712201374086 | epot = -15.243653989575 | etot = -14.6175140344886
-815000  ekin = 0.18070598633538 |  erot = 0.435961774091637 | epot = -15.2341817949191 | etot = -14.617514034492
-816000  ekin = 0.180928373605466 |  erot = 0.43198881411332 | epot = -15.2304312222318 | etot = -14.617514034513
-817000  ekin = 0.183095431234163 |  erot = 0.431493858263641 | epot = -15.2321033240487 | etot = -14.6175140345509
-818000  ekin = 0.187118173911448 |  erot = 0.434007895069537 | epot = -15.2386401035849 | etot = -14.617514034604
-819000  ekin = 0.19281856805337 |  erot = 0.438917286806818 | epot = -15.24924988953 | etot = -14.6175140346698
-820000  ekin = 0.199933211814762 |  erot = 0.445497181488378 | epot = -15.2629444280487 | etot = -14.6175140347455
-821000  ekin = 0.208120374081947 |  erot = 0.45295206948383 | epot = -15.2785864783932 | etot = -14.6175140348274
-822000  ekin = 0.216970558498262 |  erot = 0.460461605795687 | epot = -15.2949461992055 | etot = -14.6175140349115
-823000  ekin = 0.226020685629107 |  erot = 0.467229260922838 | epot = -15.3107639815453 | etot = -14.6175140349933
-824000  ekin = 0.234771793851542 |  erot = 0.472530858216688 | epot = -15.324816687137 | etot = -14.6175140350687
-825000  ekin = 0.242709867661977 |  erot = 0.475759712130444 | epot = -15.3359836149261 | etot = -14.6175140351336
-826000  ekin = 0.24932906085789 |  erot = 0.476465014357235 | epot = -15.3433081103995 | etot = -14.6175140351844
-827000  ekin = 0.254156259485729 |  erot = 0.474380409602746 | epot = -15.3460507043068 | etot = -14.6175140352183
-828000  ekin = 0.256775693170751 |  erot = 0.469440383344517 | epot = -15.3437301117489 | etot = -14.6175140352337
-829000  ekin = 0.256852201216646 |  erot = 0.461783092102062 | epot = -15.3361493285486 | etot = -14.6175140352299
-830000  ekin = 0.254151805816703 |  erot = 0.45173946704119 | epot = -15.3234053080652 | etot = -14.6175140352073
-831000  ekin = 0.248558416433715 |  erot = 0.439809632306566 | epot = -15.3058820839078 | etot = -14.6175140351675
-832000  ekin = 0.240085737091028 |  erot = 0.426628719076058 | epot = -15.2842284912798 | etot = -14.6175140351127
-833000  ekin = 0.228883712687663 |  erot = 0.412924890624256 | epot = -15.2593226383578 | etot = -14.6175140350459
-834000  ekin = 0.215239082681816 |  erot = 0.399472764056069 | epot = -15.2322258817084 | etot = -14.6175140349706
-835000  ekin = 0.199569787294636 |  erot = 0.38704544051957 | epot = -15.2041292627046 | etot = -14.6175140348904
-836000  ekin = 0.182413100763742 |  erot = 0.376368114580784 | epot = -15.176295250154 | etot = -14.6175140348094
-837000  ekin = 0.164407483062677 |  erot = 0.368075825931377 | epot = -15.1499973437255 | etot = -14.6175140347315
-838000  ekin = 0.146268295773427 |  erot = 0.362677435797702 | epot = -15.1264597662312 | etot = -14.6175140346601
-839000  ekin = 0.128757768426377 |  erot = 0.360527421580394 | epot = -15.1067992246057 | etot = -14.6175140345989
-840000  ekin = 0.112649960717962 |  erot = 0.361806618656276 | epot = -15.0919706139251 | etot = -14.6175140345508
-841000  ekin = 0.0986919456676882 |  erot = 0.366512603929065 | epot = -15.0827185841154 | etot = -14.6175140345186
-842000  ekin = 0.0875630029234267 |  erot = 0.374460003555766 | epot = -15.0795370409834 | etot = -14.6175140345042
-843000  ekin = 0.0798341847686289 |  erot = 0.385290606532755 | epot = -15.08263882581 | etot = -14.6175140345086
-844000  ekin = 0.0759310929907371 |  erot = 0.398492769729592 | epot = -15.0919378972526 | etot = -14.6175140345323
-845000  ekin = 0.0761029610203549 |  erot = 0.413429207168603 | epot = -15.1070462027631 | etot = -14.6175140345741
-846000  ekin = 0.0804010613290312 |  erot = 0.429371869322519 | epot = -15.1272869652842 | etot = -14.6175140346326
-847000  ekin = 0.0886689809240991 |  erot = 0.445542241998012 | epot = -15.1517252576266 | etot = -14.6175140347045
-848000  ekin = 0.10054642145979 |  erot = 0.461155038711596 | epot = -15.1792154949571 | etot = -14.6175140347857
-849000  ekin = 0.115486960010843 |  erot = 0.475462945351667 | epot = -15.2084639402341 | etot = -14.6175140348716
-850000  ekin = 0.132788806695687 |  erot = 0.487799837752767 | epot = -15.2381026794056 | etot = -14.6175140349572
-851000  ekin = 0.151636227786327 |  erot = 0.497619785576575 | epot = -15.2667700484 | etot = -14.6175140350371
-852000  ekin = 0.171148194576108 |  erot = 0.504529242627505 | epot = -15.2931914723103 | etot = -14.6175140351066
-853000  ekin = 0.19043015939565 |  erot = 0.508310157461236 | epot = -15.3162543520186 | etot = -14.6175140351617
-854000  ekin = 0.208624756899518 |  erot = 0.508932337650936 | epot = -15.3350711297498 | etot = -14.6175140351993
-855000  ekin = 0.224957674812131 |  erot = 0.506554231539352 | epot = -15.3490259415693 | etot = -14.6175140352178
-856000  ekin = 0.238775816538927 |  erot = 0.501512259960049 | epot = -15.3578021117157 | etot = -14.6175140352167
-857000  ekin = 0.249575992233873 |  erot = 0.494299801981698 | epot = -15.3613898294123 | etot = -14.6175140351968
-858000  ekin = 0.257023502073655 |  erot = 0.485537766821928 | epot = -15.3600753040554 | etot = -14.6175140351598
-859000  ekin = 0.260960921285528 |  erot = 0.475939247615908 | epot = -15.3544142040099 | etot = -14.6175140351085
-860000  ekin = 0.261408037072217 |  erot = 0.46627098460475 | epot = -15.3451930567228 | etot = -14.6175140350458
-861000  ekin = 0.258554187538184 |  erot = 0.457314264403307 | epot = -15.3333824869164 | etot = -14.6175140349749
-862000  ekin = 0.252744258032984 |  erot = 0.449827506886398 | epot = -15.3200857998187 | etot = -14.6175140348993
-863000  ekin = 0.244459417796508 |  erot = 0.44451214183432 | epot = -15.3064855944533 | etot = -14.6175140348225
-864000  ekin = 0.234293368840137 |  erot = 0.441983030939926 | epot = -15.2937904345275 | etot = -14.6175140347475
-865000  ekin = 0.222924696623973 |  erot = 0.442744308395109 | epot = -15.2831830396966 | etot = -14.6175140346776
-866000  ekin = 0.211086026109098 |  erot = 0.447169652381157 | epot = -15.275769713106 | etot = -14.6175140346158
-867000  ekin = 0.199530465892687 |  erot = 0.455487658924226 | epot = -15.2725321593816 | etot = -14.6175140345647
-868000  ekin = 0.188996288427053 |  erot = 0.467771811643752 | epot = -15.2742821345979 | etot = -14.6175140345271
-869000  ekin = 0.180171161859058 |  erot = 0.4839348556269 | epot = -15.2816200519912 | etot = -14.6175140345052
-870000  ekin = 0.173657413868177 |  erot = 0.503727420429686 | epot = -15.2948988687985 | etot = -14.6175140345006
-871000  ekin = 0.169940429081807 |  erot = 0.526741193132036 | epot = -15.3141956567285 | etot = -14.6175140345146
-872000  ekin = 0.16936227417812 |  erot = 0.552417088945945 | epot = -15.3392933976716 | etot = -14.6175140345475
-873000  ekin = 0.172102391201256 |  erot = 0.580058846014348 | epot = -15.3696752718142 | etot = -14.6175140345986
-874000  ekin = 0.178167002901486 |  erot = 0.608852557307869 | epot = -15.4045335948759 | etot = -14.6175140346666
-875000  ekin = 0.187388233890387 |  erot = 0.637892396630056 | epot = -15.4427946652691 | etot = -14.6175140347487
-876000  ekin = 0.199433181367003 |  erot = 0.666212376945488 | epot = -15.4831595931541 | etot = -14.6175140348416
-877000  ekin = 0.213822249050295 |  erot = 0.69282332523819 | epot = -15.5241596092293 | etot = -14.6175140349408
-878000  ekin = 0.229955728385689 |  erot = 0.716754212645022 | epot = -15.5642239760723 | etot = -14.6175140350416
-879000  ekin = 0.247146104644683 |  erot = 0.737095186135023 | epot = -15.6017553259188 | etot = -14.6175140351391
-880000  ekin = 0.264653797001979 |  erot = 0.753040153406023 | epot = -15.6352079856363 | etot = -14.6175140352283
-881000  ekin = 0.281723784261018 |  erot = 0.76392624159128 | epot = -15.6631640611574 | etot = -14.6175140353051
-882000  ekin = 0.29762064160649 |  erot = 0.769267373447792 | epot = -15.68440205042 | etot = -14.6175140353658
-883000  ekin = 0.311659967165901 |  erot = 0.768779581882543 | epot = -15.6979535844562 | etot = -14.6175140354077
-884000  ekin = 0.323234773767649 |  erot = 0.762396270684338 | epot = -15.7031450798815 | etot = -14.6175140354295
-885000  ekin = 0.331836099624964 |  erot = 0.750272396067583 | epot = -15.6996225311231 | etot = -14.6175140354306
-886000  ekin = 0.337067751563746 |  erot = 0.732777385265791 | epot = -15.6873591722412 | etot = -14.6175140354117
-887000  ekin = 0.338655649766074 |  erot = 0.710477420750299 | epot = -15.6666471058906 | etot = -14.6175140353742
-888000  ekin = 0.336452632420706 |  erot = 0.684108417156166 | epot = -15.6380750848972 | etot = -14.6175140353204
-889000  ekin = 0.330439768515544 |  erot = 0.654541548240117 | epot = -15.6024953520084 | etot = -14.6175140352528
-890000  ekin = 0.320725208484752 |  erot = 0.622743520027164 | epot = -15.5609827636863 | etot = -14.6175140351744
-891000  ekin = 0.307541386208986 |  erot = 0.589733936087572 | epot = -15.5147893573846 | etot = -14.6175140350881
-892000  ekin = 0.2912409981298 |  erot = 0.556542080398037 | epot = -15.4652971135247 | etot = -14.6175140349969
-893000  ekin = 0.272291667891316 |  erot = 0.524165278720867 | epot = -15.413970981516 | etot = -14.6175140349038
-894000  ekin = 0.251268620703445 |  erot = 0.493530718297755 | epot = -15.3623133738123 | etot = -14.6175140348111
-895000  ekin = 0.228844131843626 |  erot = 0.465462234286617 | epot = -15.3118204008516 | etot = -14.6175140347214
-896000  ekin = 0.205772103521913 |  erot = 0.440653137307236 | epot = -15.2639392754666 | etot = -14.6175140346375
-897000  ekin = 0.182866017803022 |  erot = 0.419645693758353 | epot = -15.2200257461231 | etot = -14.6175140345618
-898000  ekin = 0.16096887000853 |  erot = 0.402817425242944 | epot = -15.1813003297485 | etot = -14.617514034497
-899000  ekin = 0.1409146251284 |  erot = 0.39037402416295 | epot = -15.1488026837377 | etot = -14.6175140344464
-900000  ekin = 0.123482269337589 |  erot = 0.38234845168916 | epot = -15.1233447554394 | etot = -14.6175140344126
-901000  ekin = 0.109345484385139 |  erot = 0.37860573755432 | epot = -15.1054652563377 | etot = -14.6175140343982
-902000  ekin = 0.0990229789068497 |  erot = 0.378853140166106 | epot = -15.0953901534782 | etot = -14.6175140344052
-903000  ekin = 0.0928360184564096 |  erot = 0.382655585825617 | epot = -15.0930056387162 | etot = -14.6175140344341
-904000  ekin = 0.090880112387998 |  erot = 0.389456554773451 | epot = -15.0978507016453 | etot = -14.6175140344838
-905000  ekin = 0.0930167096525896 |  erot = 0.39860464884997 | epot = -15.1091353930541 | etot = -14.6175140345515
-906000  ekin = 0.0988880708462436 |  erot = 0.409385812369162 | epot = -15.1257879178478 | etot = -14.6175140346324
-907000  ekin = 0.107954659147334 |  erot = 0.421060528764045 | epot = -15.1465292226318 | etot = -14.6175140347204
-908000  ekin = 0.119550305154274 |  erot = 0.432904367174429 | epot = -15.1699687071372 | etot = -14.6175140348085
-909000  ekin = 0.132947118364179 |  erot = 0.444249232158146 | epot = -15.1947103854125 | etot = -14.6175140348901
-910000  ekin = 0.147420543333259 |  erot = 0.454521879656393 | epot = -15.2194564579492 | etot = -14.6175140349596
-911000  ekin = 0.162305506309105 |  erot = 0.463275978359197 | epot = -15.243095519681 | etot = -14.6175140350127
-912000  ekin = 0.177037050912772 |  erot = 0.470214361754794 | epot = -15.2647654477151 | etot = -14.6175140350475
-913000  ekin = 0.191172462463139 |  erot = 0.47519909256644 | epot = -15.2838855900937 | etot = -14.6175140350642
-914000  ekin = 0.204395616840708 |  erot = 0.478248345048065 | epot = -15.300157996953 | etot = -14.6175140350642
-915000  ekin = 0.21650723869536 |  erot = 0.479520616572313 | epot = -15.3135418903184 | etot = -14.6175140350508
-916000  ekin = 0.227406352399341 |  erot = 0.479288139236201 | epot = -15.3242085266631 | etot = -14.6175140350275
-917000  ekin = 0.237068358848407 |  erot = 0.477902392723181 | epot = -15.33248478657 | etot = -14.6175140349984
-918000  ekin = 0.245524170399248 |  erot = 0.475755244752233 | epot = -15.3387934501184 | etot = -14.6175140349669
-919000  ekin = 0.252843202023962 |  erot = 0.473239468155714 | epot = -15.3435967051161 | etot = -14.6175140349364
-920000  ekin = 0.259121284815245 |  erot = 0.470712244290019 | epot = -15.3473475640143 | etot = -14.6175140349091
-921000  ekin = 0.264473144076567 |  erot = 0.468464808092164 | epot = -15.3504519870555 | etot = -14.6175140348867
-922000  ekin = 0.269028180853978 |  erot = 0.466700668341743 | epot = -15.3532428840659 | etot = -14.6175140348702
-923000  ekin = 0.272927944745733 |  erot = 0.465523908452111 | epot = -15.3559658880574 | etot = -14.6175140348595
-924000  ekin = 0.276323793829006 |  erot = 0.464938026324776 | epot = -15.3587758550082 | etot = -14.6175140348544
-925000  ekin = 0.279373649323261 |  erot = 0.464854721380715 | epot = -15.361742405558 | etot = -14.617514034854
-926000  ekin = 0.282237300897746 |  erot = 0.465111106681012 | epot = -15.3648624424358 | etot = -14.617514034857
-927000  ekin = 0.285070250341514 |  erot = 0.465493135293291 | epot = -15.368077420497 | etot = -14.6175140348622
-928000  ekin = 0.288016501944524 |  erot = 0.465762600718085 | epot = -15.3712931375312 | etot = -14.6175140348686
-929000  ekin = 0.291201026098177 |  erot = 0.465684740678902 | epot = -15.3743998016517 | etot = -14.6175140348746
-930000  ekin = 0.294722459178862 |  erot = 0.465054261989064 | epot = -15.3772907560474 | etot = -14.6175140348795
-931000  ekin = 0.298646764015084 |  erot = 0.463717248452556 | epot = -15.37987804735 | etot = -14.6175140348824
-932000  ekin = 0.303002304639533 |  erot = 0.461587311532279 | epot = -15.3821036510548 | etot = -14.617514034883
-933000  ekin = 0.307776651094719 |  erot = 0.45865494559038 | epot = -15.3839456315665 | etot = -14.6175140348814
-934000  ekin = 0.312915338271965 |  erot = 0.454989722654165 | epot = -15.3854190958038 | etot = -14.6175140348777
-935000  ekin = 0.318322768321313 |  erot = 0.450735625549507 | epot = -15.3865724287433 | etot = -14.6175140348725
-936000  ekin = 0.323865441581091 |  erot = 0.446100385693733 | epot = -15.3874798621412 | etot = -14.6175140348664
-937000  ekin = 0.329377658420717 |  erot = 0.441340069469407 | epot = -15.3882317627502 | etot = -14.6175140348601
-938000  ekin = 0.334669609401427 |  erot = 0.436740154637041 | epot = -15.3889237988926 | etot = -14.6175140348541
-939000  ekin = 0.339538182698642 |  erot = 0.432595723626032 | epot = -15.3896479411737 | etot = -14.617514034849
-940000  ekin = 0.343779460435288 |  erot = 0.429190561371735 | epot = -15.3904840566522 | etot = -14.6175140348451
-941000  ekin = 0.347202304174036 |  erot = 0.42677706535814 | epot = -15.391493404375 | etot = -14.6175140348428
-942000  ekin = 0.349642062607919 |  erot = 0.425558062624862 | epot = -15.3927141600748 | etot = -14.617514034842
-943000  ekin = 0.350973206935886 |  erot = 0.425671371650738 | epot = -15.3941586134297 | etot = -14.6175140348431
-944000  ekin = 0.351119786154907 |  erot = 0.427178062459248 | epot = -15.3958118834598 | etot = -14.6175140348457
-945000  ekin = 0.35006281650887 |  erot = 0.430055404933682 | epot = -15.3976322562924 | etot = -14.6175140348499
-946000  ekin = 0.347844068536815 |  erot = 0.434195447789962 | epot = -15.3995535511821 | etot = -14.6175140348553
-947000  ekin = 0.344566017441613 |  erot = 0.439410327984511 | epot = -15.4014903802876 | etot = -14.6175140348614
-948000  ekin = 0.340388212507457 |  erot = 0.445444378277369 | epot = -15.4033466256523 | etot = -14.6175140348675
-949000  ekin = 0.335520427168566 |  erot = 0.451992965714887 | epot = -15.405027427756 | etot = -14.6175140348726
-950000  ekin = 0.330213181196298 |  erot = 0.458727107975925 | epot = -15.4064543240478 | etot = -14.6175140348755
-951000  ekin = 0.324745816556508 |  erot = 0.465321341197559 | epot = -15.4075811926297 | etot = -14.6175140348756
-952000  ekin = 0.319412679962217 |  erot = 0.471482169177577 | epot = -15.4084088840117 | etot = -14.6175140348719
-953000  ekin = 0.314508037100193 |  erot = 0.476974139327336 | epot = -15.4089962112918 | etot = -14.6175140348643
-954000  ekin = 0.310309685024347 |  erot = 0.48163943141791 | epot = -15.4094631512954 | etot = -14.6175140348532
-955000  ekin = 0.307061947765186 |  erot = 0.485408201613806 | epot = -15.4099841842186 | etot = -14.6175140348396
-956000  ekin = 0.304958921288862 |  erot = 0.488297803841355 | epot = -15.4107707599557 | etot = -14.6175140348255
-957000  ekin = 0.304129209168565 |  erot = 0.490400499132381 | epot = -15.412043743114 | etot = -14.6175140348131
-958000  ekin = 0.304623714619813 |  erot = 0.491860923621326 | epot = -15.4139986730459 | etot = -14.6175140348048
-959000  ekin = 0.306408207891363 |  erot = 0.492846142548816 | epot = -15.416768385243 | etot = -14.6175140348028
-960000  ekin = 0.309362278813016 |  erot = 0.493512316198131 | epot = -15.4203886298201 | etot = -14.617514034809
-961000  ekin = 0.313285873784613 |  erot = 0.493972653387225 | epot = -15.4247725619958 | etot = -14.6175140348239
-962000  ekin = 0.317913924784037 |  erot = 0.49427132476265 | epot = -15.4296992843941 | etot = -14.6175140348474
-963000  ekin = 0.322938673952701 |  erot = 0.494367337737219 | epot = -15.4348200465675 | etot = -14.6175140348776
-964000  ekin = 0.328038281530663 |  erot = 0.494131108238372 | epot = -15.4396834246808 | etot = -14.6175140349117
-965000  ekin = 0.332909295682717 |  erot = 0.49335475067624 | epot = -15.4437780813052 | etot = -14.6175140349462
-966000  ekin = 0.337299689762522 |  erot = 0.491775167781797 | epot = -15.4465888925212 | etot = -14.6175140349769
-967000  ekin = 0.34103857432651 |  erot = 0.489107134739221 | epot = -15.4476597440656 | etot = -14.6175140349998
-968000  ekin = 0.344058508086205 |  erot = 0.485082040988229 | epot = -15.4466545840861 | etot = -14.6175140350116
-969000  ekin = 0.346406687226285 |  erot = 0.479487053292109 | epot = -15.4434077755287 | etot = -14.6175140350103
-970000  ekin = 0.34824225995059 |  erot = 0.472199376075301 | epot = -15.4379556710211 | etot = -14.6175140349952
-971000  ekin = 0.349818577908303 |  erot = 0.463211040207767 | epot = -15.4305436530838 | etot = -14.6175140349677
-972000  ekin = 0.351451221504232 |  erot = 0.452641107454375 | epot = -15.4216063638894 | etot = -14.6175140349308
-973000  ekin = 0.353474851841729 |  erot = 0.440734047140837 | epot = -15.4117229338711 | etot = -14.6175140348885
-974000  ekin = 0.356193968986766 |  erot = 0.427844962323539 | epot = -15.4015529661561 | etot = -14.6175140348458
-975000  ekin = 0.359834072253365 |  erot = 0.414413971021917 | epot = -15.3917620780827 | etot = -14.6175140348075
-976000  ekin = 0.364500158165173 |  erot = 0.400933139115753 | epot = -15.3829473320587 | etot = -14.6175140347778
-977000  ekin = 0.370148756532453 |  erot = 0.387909813696966 | epot = -15.3755726049891 | etot = -14.6175140347597
-978000  ekin = 0.376577842833186 |  erot = 0.375830059082977 | epot = -15.3699219366708 | etot = -14.6175140347546
-979000  ekin = 0.383436289100162 |  erot = 0.365125297246737 | epot = -15.3660756211092 | etot = -14.6175140347623
-980000  ekin = 0.390251542223268 |  erot = 0.356144397459458 | epot = -15.3639099744644 | etot = -14.6175140347817
-981000  ekin = 0.396471539317057 |  erot = 0.349132547197909 | epot = -15.3631181213249 | etot = -14.61751403481
-982000  ekin = 0.401514997592997 |  erot = 0.34421743579967 | epot = -15.3632464682369 | etot = -14.6175140348443
-983000  ekin = 0.404823458771299 |  erot = 0.341402706416171 | epot = -15.363740200069 | etot = -14.6175140348815
-984000  ekin = 0.40590886668649 |  erot = 0.340568324597754 | epot = -15.363991226203 | etot = -14.6175140349188
-985000  ekin = 0.404391803061251 |  erot = 0.341477444720376 | epot = -15.3633832827353 | etot = -14.6175140349537
-986000  ekin = 0.400027422801557 |  erot = 0.343789434461309 | epot = -15.3613308922472 | etot = -14.6175140349843
-987000  ekin = 0.39271818074518 |  erot = 0.347078806738243 | epot = -15.3573110224926 | etot = -14.6175140350092
-988000  ekin = 0.382514239214593 |  erot = 0.350859769146629 | epot = -15.3508880433885 | etot = -14.6175140350273
-989000  ekin = 0.369603726654222 |  erot = 0.35461583718875 | epot = -15.3417335988805 | etot = -14.6175140350376
-990000  ekin = 0.354295674461627 |  erot = 0.357833454087969 | epot = -15.3296431635889 | etot = -14.6175140350393
-991000  ekin = 0.336998529351739 |  erot = 0.360037895318097 | epot = -15.3145504597016 | etot = -14.6175140350318
-992000  ekin = 0.318196763890777 |  erot = 0.36082906519084 | epot = -15.2965398640959 | etot = -14.6175140350143
-993000  ekin = 0.298427479538935 |  erot = 0.35991430308946 | epot = -15.2758558176151 | etot = -14.6175140349867
-994000  ekin = 0.278258203580379 |  erot = 0.357135170965394 | epot = -15.2529074094949 | etot = -14.6175140349491
-995000  ekin = 0.258266471895333 |  erot = 0.3524854802127 | epot = -15.2282659870102 | etot = -14.6175140349022
-996000  ekin = 0.239021351636219 |  erot = 0.346118523027928 | epot = -15.2026539095113 | etot = -14.6175140348472
-997000  ekin = 0.221066818081282 |  erot = 0.338342492442889 | epot = -15.1769233453103 | etot = -14.6175140347861
-998000  ekin = 0.204906835818327 |  erot = 0.329604233509051 | epot = -15.1520251040489 | etot = -14.6175140347215
-999000  ekin = 0.190992053959175 |  erot = 0.320462575794979 | epot = -15.1289686644105 | etot = -14.6175140346564
-1000000  ekin = 0.179708146665515 |  erot = 0.311553394429263 | epot = -15.1087755756886 | etot = -14.6175140345938
- 1000000  0.013311715   -1.5443684  0.033490821   -1.4929067 -0.00013590491 
-Loop time of 22.0853 on 1 procs for 1000000 steps with 10 atoms
-
-Performance: 39120.988 tau/day, 45278.921 timesteps/s
-99.6% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 17.818     | 17.818     | 17.818     |   0.0 | 80.68
-Bond    | 0.67599    | 0.67599    | 0.67599    |   0.0 |  3.06
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.29087    | 0.29087    | 0.29087    |   0.0 |  1.32
-Output  | 8.1062e-06 | 8.1062e-06 | 8.1062e-06 |   0.0 |  0.00
-Modify  | 2.8906     | 2.8906     | 2.8906     |   0.0 | 13.09
-Other   |            | 0.41       |            |       |  1.86
-
-Nlocal:    10 ave 10 max 10 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    45 ave 45 max 45 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 45
-Ave neighs/atom = 4.5
-Ave special neighs/atom = 3.6
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:22
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4 b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
deleted file mode 100644
index 6ee77cb005..0000000000
--- a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
+++ /dev/null
@@ -1,1167 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 1
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex1
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  10 atoms
-  reading velocities ...
-  10 velocities
-  10 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  8 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  2 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-set atom * mass 3.1575
-  10 settings made for mass
-
-group all type 1 4
-10 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna2/fene
-bond_coeff * 2.0 0.25 0.7564
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
-pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
-pair_coeff * * oxdna2/dh      0.1 1.0 0.815
-
-# NVE ensemble
-fix 1 all nve/dot
-#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.6274
-  ghost atom cutoff = 2.6274
-  binsize = 1.3137, bins = 31 31 31
-  6 neighbor lists, perpetual/occasional/extra = 6 0 0
-  (1) pair oxdna2/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna2/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna2/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna2/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) pair oxdna2/dh, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 7.652 | 7.834 | 8.016 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.4712768  0.009525411   -1.4617514 -5.8922361e-05 
-1000  ekin = 0.00113086229080478 |  erot = 0.00431010160406708 | epot = -14.6229549982368 | etot = -14.617514034342
-2000  ekin = 0.00448533224342286 |  erot = 0.0171407706505013 | epot = -14.6391401372615 | etot = -14.6175140343675
-3000  ekin = 0.0099503525964896 |  erot = 0.0381961780846439 | epot = -14.6656605650904 | etot = -14.6175140344093
-4000  ekin = 0.0173418024861991 |  erot = 0.0669935184860482 | epot = -14.7018493554381 | etot = -14.6175140344659
-5000  ekin = 0.0264109356285965 |  erot = 0.102878288094483 | epot = -14.7468032582586 | etot = -14.6175140345355
-6000  ekin = 0.0368533113591267 |  erot = 0.14504542056981 | epot = -14.7994127665446 | etot = -14.6175140346157
-7000  ekin = 0.0483200640564583 |  erot = 0.192565862515414 | epot = -14.8583999612755 | etot = -14.6175140347036
-8000  ekin = 0.0604312317605635 |  erot = 0.244417870131371 | epot = -14.9223631366881 | etot = -14.6175140347962
-9000  ekin = 0.072790711967127 |  erot = 0.299521949931656 | epot = -14.9898266967887 | etot = -14.6175140348899
-10000  ekin = 0.0850022498874609 |  erot = 0.356777997217668 | epot = -15.0592942820866 | etot = -14.6175140349815
-11000  ekin = 0.0966857134040954 |  erot = 0.415102860829322 | epot = -15.1293026093009 | etot = -14.6175140350675
-12000  ekin = 0.107492790688356 |  erot = 0.473466334177699 | epot = -15.1984731600111 | etot = -14.617514035145
-13000  ekin = 0.117121180381612 |  erot = 0.530923485009329 | epot = -15.2655587006024 | etot = -14.6175140352115
-14000  ekin = 0.125326348459051 |  erot = 0.586641324447251 | epot = -15.3294817081714 | etot = -14.6175140352651
-15000  ekin = 0.131930017119328 |  erot = 0.63991810423422 | epot = -15.3893621566583 | etot = -14.6175140353048
-16000  ekin = 0.136824741331405 |  erot = 0.690194029500566 | epot = -15.4445328061626 | etot = -14.6175140353306
-17000  ekin = 0.139974218116171 |  erot = 0.737052866147306 | epot = -15.4945411196066 | etot = -14.6175140353432
-18000  ekin = 0.141409342139797 |  erot = 0.780214750583043 | epot = -15.5391381280668 | etot = -14.617514035344
-19000  ekin = 0.141220424903361 |  erot = 0.819521373491177 | epot = -15.5782558337298 | etot = -14.6175140353352
-20000  ekin = 0.139546371890511 |  erot = 0.854915474127585 | epot = -15.6119758813374 | etot = -14.6175140353193
-21000  ekin = 0.136561897558541 |  erot = 0.886417110947522 | epot = -15.6404930438047 | etot = -14.6175140352986
-22000  ekin = 0.132464002543684 |  erot = 0.914099368829796 | epot = -15.6640774066492 | etot = -14.6175140352758
-23000  ekin = 0.127458921012898 |  erot = 0.938065991541741 | epot = -15.6830389478072 | etot = -14.6175140352525
-24000  ekin = 0.121750582423396 |  erot = 0.958432936326346 | epot = -15.6976975539803 | etot = -14.6175140352306
-25000  ekin = 0.115531361419039 |  erot = 0.975315142931434 | epot = -15.7083605395612 | etot = -14.6175140352107
-26000  ekin = 0.108975565586195 |  erot = 0.988819027952452 | epot = -15.715308628732 | etot = -14.6175140351934
-27000  ekin = 0.102235785319183 |  erot = 0.999040485514706 | epot = -15.7187903060122 | etot = -14.6175140351783
-28000  ekin = 0.0954419434320554 |  erot = 1.00606759141037 | epot = -15.7190235700075 | etot = -14.6175140351651
-29000  ekin = 0.0887026587346012 |  erot = 1.00998681843686 | epot = -15.7162035123244 | etot = -14.6175140351529
-30000  ekin = 0.0821083868016836 |  erot = 1.01089138149989 | epot = -15.7105138034423 | etot = -14.6175140351407
-31000  ekin = 0.0757357206090521 |  erot = 1.00889031641421 | epot = -15.702140072151 | etot = -14.6175140351278
-32000  ekin = 0.0696522149391935 |  erot = 1.00411701390103 | epot = -15.6912832639534 | etot = -14.6175140351132
-33000  ekin = 0.0639211300031737 |  erot = 0.996736133736263 | epot = -15.6781712988358 | etot = -14.6175140350964
-34000  ekin = 0.0586055597942697 |  erot = 0.986948071944207 | epot = -15.6630676668155 | etot = -14.617514035077
-35000  ekin = 0.0537715085522448 |  erot = 0.974990414618501 | epot = -15.6462759582258 | etot = -14.617514035055
-36000  ekin = 0.0494895953267295 |  erot = 0.961136064968264 | epot = -15.6281396953257 | etot = -14.6175140350307
-37000  ekin = 0.0458351949408502 |  erot = 0.945687966087874 | epot = -15.6090371960337 | etot = -14.617514035005
-38000  ekin = 0.0428869588018996 |  erot = 0.928970560853581 | epot = -15.5893715546342 | etot = -14.6175140349787
-39000  ekin = 0.0407237982125063 |  erot = 0.911318339680438 | epot = -15.5695561728459 | etot = -14.617514034953
-40000  ekin = 0.0394205547756063 |  erot = 0.893062038098217 | epot = -15.5499966278032 | etot = -14.6175140349294
-41000  ekin = 0.0390427256108178 |  erot = 0.874513269991183 | epot = -15.5310700305113 | etot = -14.6175140349092
-42000  ekin = 0.0396407506458889 |  erot = 0.855948622306388 | epot = -15.5131034078463 | etot = -14.617514034894
-43000  ekin = 0.0412444930542012 |  erot = 0.837594480923648 | epot = -15.4963530088627 | etot = -14.6175140348848
-44000  ekin = 0.0438586280729573 |  erot = 0.819614069272763 | epot = -15.4809867322283 | etot = -14.6175140348826
-45000  ekin = 0.0474596621514809 |  erot = 0.802098297010425 | epot = -15.4670719940496 | etot = -14.6175140348876
-46000  ekin = 0.0519951857190001 |  erot = 0.785061947877089 | epot = -15.4545711684958 | etot = -14.6175140348997
-47000  ekin = 0.0573856747188828 |  erot = 0.768446392385995 | epot = -15.4433461020223 | etot = -14.6175140349174
-48000  ekin = 0.0635286843628562 |  erot = 0.752129335015535 | epot = -15.433172054318 | etot = -14.6175140349396
-49000  ekin = 0.0703046735384702 |  erot = 0.735941123250163 | epot = -15.4237598317528 | etot = -14.6175140349642
-50000  ekin = 0.0775831019852491 |  erot = 0.719686007780774 | epot = -15.4147831447551 | etot = -14.6175140349891
-51000  ekin = 0.0852270843840623 |  erot = 0.703165726694424 | epot = -15.4059068460916 | etot = -14.6175140350132
-52000  ekin = 0.0930950223446157 |  erot = 0.686202231165621 | epot = -15.3968112885448 | etot = -14.6175140350346
-53000  ekin = 0.101038429252411 |  erot = 0.668656546988554 | epot = -15.3872090112944 | etot = -14.6175140350534
-54000  ekin = 0.108896540979999 |  erot = 0.65044172617409 | epot = -15.3768523022237 | etot = -14.6175140350696
-55000  ekin = 0.116489881625605 |  erot = 0.631529329347953 | epot = -15.3655332460571 | etot = -14.6175140350836
-56000  ekin = 0.12361610349128 |  erot = 0.611950383382754 | epot = -15.3530805219694 | etot = -14.6175140350954
-57000  ekin = 0.130051530400511 |  erot = 0.591792721317636 | epot = -15.3393582868229 | etot = -14.6175140351047
-58000  ekin = 0.135560625192868 |  erot = 0.571196690673809 | epot = -15.3242713509772 | etot = -14.6175140351105
-59000  ekin = 0.13991335082652 |  erot = 0.550350463180971 | epot = -15.307777849119 | etot = -14.6175140351115
-60000  ekin = 0.142907875045205 |  erot = 0.529485019663366 | epot = -15.2899069298149 | etot = -14.6175140351063
-61000  ekin = 0.144394224776987 |  erot = 0.508867904999859 | epot = -15.2707761648709 | etot = -14.6175140350941
-62000  ekin = 0.14429400378525 |  erot = 0.488794507593493 | epot = -15.2506025464535 | etot = -14.6175140350748
-63000  ekin = 0.142612256997681 |  erot = 0.469576039422599 | epot = -15.2297023314693 | etot = -14.617514035049
-64000  ekin = 0.139439544726489 |  erot = 0.451524344955609 | epot = -15.2084779247008 | etot = -14.6175140350187
-65000  ekin = 0.134944526553205 |  erot = 0.434934714914789 | epot = -15.1873932764541 | etot = -14.6175140349861
-66000  ekin = 0.129359146357915 |  erot = 0.42006860776795 | epot = -15.1669417890793 | etot = -14.6175140349534
-67000  ekin = 0.122959458763979 |  erot = 0.407138362060406 | epot = -15.1476118557473 | etot = -14.6175140349229
-68000  ekin = 0.116045210525348 |  erot = 0.396295631876791 | epot = -15.1298548772989 | etot = -14.6175140348967
-69000  ekin = 0.108920722072196 |  erot = 0.387624589972286 | epot = -15.1140593469203 | etot = -14.6175140348758
-70000  ekin = 0.10187874072944 |  erot = 0.381140173640969 | epot = -15.1005329492312 | etot = -14.6175140348608
-71000  ekin = 0.0951880561483024 |  erot = 0.376791007701474 | epot = -15.0894930987017 | etot = -14.6175140348519
-72000  ekin = 0.0890849677261225 |  erot = 0.374466237250124 | epot = -15.0810652398251 | etot = -14.6175140348489
-73000  ekin = 0.0837682427021172 |  erot = 0.37400534759948 | epot = -15.0752876251526 | etot = -14.617514034851
-74000  ekin = 0.0793969849743902 |  erot = 0.375210076750066 | epot = -15.0721210965819 | etot = -14.6175140348574
-75000  ekin = 0.0760907865069309 |  erot = 0.377857644571635 | epot = -15.0714624659456 | etot = -14.617514034867
-76000  ekin = 0.073931583490861 |  erot = 0.381714646754472 | epot = -15.073160265124 | etot = -14.6175140348787
-77000  ekin = 0.0729667273608691 |  erot = 0.386551032955436 | epot = -15.0770317952076 | etot = -14.6175140348913
-78000  ekin = 0.0732128655080132 |  erot = 0.392153586682573 | epot = -15.0828804870945 | etot = -14.6175140349039
-79000  ekin = 0.0746602878351816 |  erot = 0.398338263928879 | epot = -15.0905125866795 | etot = -14.6175140349154
-80000  ekin = 0.0772774298946258 |  erot = 0.404960669862598 | epot = -15.0997521346822 | etot = -14.617514034925
-81000  ekin = 0.0810152396747851 |  erot = 0.411923913358685 | epot = -15.1104531879654 | etot = -14.617514034932
-82000  ekin = 0.0858111278281503 |  erot = 0.419183131304765 | epot = -15.122508294069 | etot = -14.6175140349361
-83000  ekin = 0.0915922459207823 |  erot = 0.426746154030485 | epot = -15.1358524348888 | etot = -14.6175140349375
-84000  ekin = 0.0982778862655832 |  erot = 0.434670094582864 | epot = -15.1504620157849 | etot = -14.6175140349364
-85000  ekin = 0.105780875252437 |  erot = 0.443054055542249 | epot = -15.1663489657283 | etot = -14.6175140349336
-86000  ekin = 0.114007936320836 |  erot = 0.452028591870875 | epot = -15.1835505631216 | etot = -14.6175140349299
-87000  ekin = 0.122859117093393 |  erot = 0.461742961599463 | epot = -15.2021161136192 | etot = -14.6175140349264
-88000  ekin = 0.132226490250757 |  erot = 0.472351454261397 | epot = -15.2220919794359 | etot = -14.6175140349237
-89000  ekin = 0.141992430435586 |  erot = 0.48400015022936 | epot = -15.243506615588 | etot = -14.6175140349231
-90000  ekin = 0.152027823849156 |  erot = 0.496815313840275 | epot = -15.2663571726144 | etot = -14.617514034925
-91000  ekin = 0.162190574344531 |  erot = 0.510894287760946 | epot = -15.2905988970356 | etot = -14.6175140349301
-92000  ekin = 0.172324730223634 |  erot = 0.526299304076921 | epot = -15.3161380692392 | etot = -14.6175140349387
-93000  ekin = 0.182260479602882 |  erot = 0.543054150884053 | epot = -15.3428286654374 | etot = -14.6175140349505
-94000  ekin = 0.19181516642483 |  erot = 0.561143224560411 | epot = -15.3704724259507 | etot = -14.6175140349654
-95000  ekin = 0.200795384590157 |  erot = 0.580512230413436 | epot = -15.398821649987 | etot = -14.6175140349834
-96000  ekin = 0.209000133284529 |  erot = 0.601069706845066 | epot = -15.4275838751334 | etot = -14.6175140350038
-97000  ekin = 0.216224974983237 |  erot = 0.62268863993255 | epot = -15.4564276499423 | etot = -14.6175140350265
-98000  ekin = 0.222267131485539 |  erot = 0.6452076702458 | epot = -15.4849888367823 | etot = -14.617514035051
-99000  ekin = 0.226931474008825 |  erot = 0.668431711039527 | epot = -15.5128772201251 | etot = -14.6175140350767
-100000  ekin = 0.230037392185109 |  erot = 0.692132125756159 | epot = -15.5396835530446 | etot = -14.6175140351033
-101000  ekin = 0.231426538774162 |  erot = 0.716046886548711 | epot = -15.5649874604531 | etot = -14.6175140351302
-102000  ekin = 0.230971416185847 |  erot = 0.739881303910146 | epot = -15.5883667552525 | etot = -14.6175140351565
-103000  ekin = 0.228584676860608 |  erot = 0.763309953364731 | epot = -15.6094086654068 | etot = -14.6175140351814
-104000  ekin = 0.224228843046253 |  erot = 0.78598032692129 | epot = -15.6277232051714 | etot = -14.6175140352039
-105000  ekin = 0.217925953180068 |  erot = 0.807518535459536 | epot = -15.6429585238624 | etot = -14.6175140352228
-106000  ekin = 0.209766205881383 |  erot = 0.827537066837229 | epot = -15.6548173079557 | etot = -14.6175140352371
-107000  ekin = 0.199914663118832 |  erot = 0.845644346598305 | epot = -15.6630730449629 | etot = -14.6175140352458
-108000  ekin = 0.188614735690438 |  erot = 0.86145556230374 | epot = -15.6675843332424 | etot = -14.6175140352482
-109000  ekin = 0.176187061060969 |  erot = 0.874603999194657 | epot = -15.6683050954996 | etot = -14.617514035244
-110000  ekin = 0.163022626611269 |  erot = 0.884752084634178 | epot = -15.6652887464788 | etot = -14.6175140352334
-111000  ekin = 0.149569382110055 |  erot = 0.891601400936344 | epot = -15.6586848182636 | etot = -14.6175140352172
-112000  ekin = 0.136312261124298 |  erot = 0.894901120601569 | epot = -15.6487274169225 | etot = -14.6175140351967
-113000  ekin = 0.123747404857111 |  erot = 0.894454602034433 | epot = -15.635716042065 | etot = -14.6175140351735
-114000  ekin = 0.112352324429236 |  erot = 0.89012419645392 | epot = -15.6199905560327 | etot = -14.6175140351496
-115000  ekin = 0.102554569787019 |  erot = 0.881834585428133 | epot = -15.601903190342 | etot = -14.6175140351268
-116000  ekin = 0.094702004709198 |  erot = 0.869575126615747 | epot = -15.5817911664316 | etot = -14.6175140351067
-117000  ekin = 0.0890378681933156 |  erot = 0.853401690495617 | epot = -15.5599535937792 | etot = -14.6175140350902
-118000  ekin = 0.0856833736304911 |  erot = 0.833438318820653 | epot = -15.536635727529 | etot = -14.6175140350778
-119000  ekin = 0.0846297171115028 |  erot = 0.809878764033866 | epot = -15.5120225162146 | etot = -14.6175140350693
-120000  ekin = 0.0857402026933537 |  erot = 0.782987649503194 | epot = -15.4862418872603 | etot = -14.6175140350638
-121000  ekin = 0.0887619781646647 |  erot = 0.753100709617513 | epot = -15.4593767228421 | etot = -14.61751403506
-122000  ekin = 0.0933458418333701 |  erot = 0.720623403983765 | epot = -15.4314832808735 | etot = -14.6175140350564
-123000  ekin = 0.0990718975136712 |  erot = 0.686027198351099 | epot = -15.4026131309163 | etot = -14.6175140350515
-124000  ekin = 0.10547856753477 |  erot = 0.649842971568616 | epot = -15.3728355741476 | etot = -14.6175140350442
-125000  ekin = 0.112092583657157 |  erot = 0.612651306911466 | epot = -15.3422579256018 | etot = -14.6175140350331
-126000  ekin = 0.118457948669929 |  erot = 0.575069793126885 | epot = -15.3110417768148 | etot = -14.6175140350179
-127000  ekin = 0.12416235209736 |  erot = 0.537737821904032 | epot = -15.2794142089994 | etot = -14.617514034998
-128000  ekin = 0.12886000047466 |  erot = 0.50129966007338 | epot = -15.2476736955216 | etot = -14.6175140349735
-129000  ekin = 0.132290197680968 |  erot = 0.466386755141928 | epot = -15.2161909877676 | etot = -14.6175140349447
-130000  ekin = 0.134291248322799 |  erot = 0.433600287194598 | epot = -15.1854055704295 | etot = -14.6175140349121
-131000  ekin = 0.134809368078731 |  erot = 0.403494917850824 | epot = -15.1558183208059 | etot = -14.6175140348763
-132000  ekin = 0.133902311412609 |  erot = 0.376564532721137 | epot = -15.1279808789722 | etot = -14.6175140348384
-133000  ekin = 0.131737425949523 |  erot = 0.35323055944927 | epot = -15.102482020198 | etot = -14.6175140347992
-134000  ekin = 0.128583872249503 |  erot = 0.333833200744645 | epot = -15.0799311077543 | etot = -14.6175140347601
-135000  ekin = 0.124798858318881 |  erot = 0.318625678761018 | epot = -15.0609385718023 | etot = -14.6175140347224
-136000  ekin = 0.120807966950657 |  erot = 0.307771366705204 | epot = -15.0460933683435 | etot = -14.6175140346876
-137000  ekin = 0.117080018573046 |  erot = 0.301343503849178 | epot = -15.0359375570798 | etot = -14.6175140346576
-138000  ekin = 0.11409740445119 |  erot = 0.299327064918184 | epot = -15.0309385040035 | etot = -14.6175140346342
-139000  ekin = 0.112323403877017 |  erot = 0.30162229304682 | epot = -15.0314597315429 | etot = -14.6175140346191
-140000  ekin = 0.112168587316825 |  erot = 0.308049410073269 | epot = -15.0377320320041 | etot = -14.617514034614
-141000  ekin = 0.113958896787242 |  erot = 0.318354084563179 | epot = -15.0498270159708 | etot = -14.6175140346204
-142000  ekin = 0.117908250109871 |  erot = 0.332213334114279 | epot = -15.0676356188632 | etot = -14.6175140346391
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-144000  ekin = 0.132469049162189 |  erot = 0.368998042344344 | epot = -15.1189811262203 | etot = -14.6175140347138
-145000  ekin = 0.142817534773286 |  erot = 0.390992018433719 | epot = -15.1513235879751 | etot = -14.6175140347681
-146000  ekin = 0.154812002594074 |  erot = 0.414692148539669 | epot = -15.1870181859652 | etot = -14.6175140348314
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-154000  ekin = 0.250708030719506 |  erot = 0.596234520730852 | epot = -15.4644565867613 | etot = -14.617514035311
-155000  ekin = 0.256210874594867 |  erot = 0.60976818504912 | epot = -15.4834930949737 | etot = -14.6175140353297
-156000  ekin = 0.259627463842678 |  erot = 0.619882772314523 | epot = -15.4970242714926 | etot = -14.6175140353354
-157000  ekin = 0.261078756733762 |  erot = 0.626379517381851 | epot = -15.5049723094439 | etot = -14.6175140353283
-158000  ekin = 0.260787877594799 |  erot = 0.629161788909728 | epot = -15.5074637018138 | etot = -14.6175140353093
-159000  ekin = 0.259061752299363 |  erot = 0.628238692725143 | epot = -15.5048144803044 | etot = -14.6175140352799
-160000  ekin = 0.256269476947947 |  erot = 0.623725097357694 | epot = -15.4975086095473 | etot = -14.6175140352416
-161000  ekin = 0.252818974262676 |  erot = 0.615838055764808 | epot = -15.486171065224 | etot = -14.6175140351965
-162000  ekin = 0.249133354780831 |  erot = 0.604889772113657 | epot = -15.471537162041 | etot = -14.6175140351465
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-166000  ekin = 0.239820672159809 |  erot = 0.53941438884916 | epot = -15.3967490959478 | etot = -14.6175140349388
-167000  ekin = 0.240373682616981 |  erot = 0.520319112884548 | epot = -15.3782068303959 | etot = -14.6175140348944
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-169000  ekin = 0.246079081489486 |  erot = 0.482926967022081 | epot = -15.3465200833369 | etot = -14.6175140348253
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-171000  ekin = 0.257759407502439 |  erot = 0.450244072412675 | epot = -15.3255175147044 | etot = -14.6175140347893
-172000  ekin = 0.265471962314995 |  erot = 0.43684655757276 | epot = -15.3198325546728 | etot = -14.617514034785
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-174000  ekin = 0.283278228107989 |  erot = 0.417652965987653 | epot = -15.3184452288998 | etot = -14.6175140348041
-175000  ekin = 0.292664164217049 |  erot = 0.41227065206718 | epot = -15.3224488511106 | etot = -14.6175140348264
-176000  ekin = 0.301844276743974 |  erot = 0.409808663993543 | epot = -15.3291669755933 | etot = -14.6175140348558
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-179000  ekin = 0.324107901131331 |  erot = 0.419041092199345 | epot = -15.3606630283007 | etot = -14.61751403497
-180000  ekin = 0.328556397748226 |  erot = 0.426909726007329 | epot = -15.3729801587658 | etot = -14.6175140350103
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-192000  ekin = 0.251308489707993 |  erot = 0.555858063434326 | epot = -15.4246805881679 | etot = -14.6175140350256
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-278000  ekin = 0.50791833721729 |  erot = 0.515361832413215 | epot = -15.6407942049214 | etot = -14.6175140352909
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-280000  ekin = 0.460335116506523 |  erot = 0.543490744711177 | epot = -15.6213398964351 | etot = -14.6175140352174
-281000  ekin = 0.433471859960465 |  erot = 0.555027349456908 | epot = -15.6060132445935 | etot = -14.6175140351761
-282000  ekin = 0.405454262480516 |  erot = 0.56481448000714 | epot = -15.5877827776223 | etot = -14.6175140351346
-283000  ekin = 0.376937038993425 |  erot = 0.572833827993367 | epot = -15.5672849020813 | etot = -14.6175140350945
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-285000  ekin = 0.320820372083186 |  erot = 0.583561068647179 | epot = -15.5218954757531 | etot = -14.6175140350227
-286000  ekin = 0.294282726921471 |  erot = 0.586274110946644 | epot = -15.4980708728619 | etot = -14.6175140349938
-287000  ekin = 0.269347634013377 |  erot = 0.587216475910743 | epot = -15.4740781448946 | etot = -14.6175140349705
-288000  ekin = 0.24635770446757 |  erot = 0.586373659773426 | epot = -15.450245399194 | etot = -14.6175140349531
-289000  ekin = 0.22557352214574 |  erot = 0.583720426232605 | epot = -15.4268079833199 | etot = -14.6175140349415
-290000  ekin = 0.2071749628185 |  erot = 0.579223657449731 | epot = -15.4039126552032 | etot = -14.6175140349349
-291000  ekin = 0.191265313940318 |  erot = 0.572848780864004 | epot = -15.3816281297367 | etot = -14.6175140349324
-292000  ekin = 0.177877757396561 |  erot = 0.564569470033125 | epot = -15.3599612623625 | etot = -14.6175140349328
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-294000  ekin = 0.158501898150816 |  erot = 0.542307895558441 | epot = -15.3183238286455 | etot = -14.6175140349363
-295000  ekin = 0.152308641379775 |  erot = 0.528428741575586 | epot = -15.2982514178919 | etot = -14.6175140349366
-296000  ekin = 0.148246390134261 |  erot = 0.512875830575391 | epot = -15.278636255644 | etot = -14.6175140349344
-297000  ekin = 0.146131889948849 |  erot = 0.495848833633677 | epot = -15.2594947585116 | etot = -14.6175140349291
-298000  ekin = 0.145762142540935 |  erot = 0.477616979343651 | epot = -15.2408931568052 | etot = -14.6175140349206
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-300000  ekin = 0.149367830718072 |  erot = 0.438948042711665 | epot = -15.2058299083253 | etot = -14.6175140348956
-301000  ekin = 0.152864610234037 |  erot = 0.419357266833116 | epot = -15.1897359119478 | etot = -14.6175140348806
-302000  ekin = 0.157149122640173 |  erot = 0.400228590597456 | epot = -15.1748917481032 | etot = -14.6175140348656
-303000  ekin = 0.161948347719037 |  erot = 0.382064246006854 | epot = -15.1615266285773 | etot = -14.6175140348514
-304000  ekin = 0.166977167327442 |  erot = 0.365367110078576 | epot = -15.1498583122451 | etot = -14.617514034839
-305000  ekin = 0.171941885875878 |  erot = 0.350622387001197 | epot = -15.1400783077066 | etot = -14.6175140348295
-306000  ekin = 0.17654652269687 |  erot = 0.338279561363739 | epot = -15.1323401188837 | etot = -14.6175140348231
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-309000  ekin = 0.185422589168818 |  erot = 0.319261135180292 | epot = -15.1221977591747 | etot = -14.6175140348256
-310000  ekin = 0.185968382525486 |  erot = 0.319714556777639 | epot = -15.1231969741363 | etot = -14.6175140348331
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-314000  ekin = 0.173797674113312 |  erot = 0.355321045101953 | epot = -15.1466327541008 | etot = -14.6175140348856
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-317000  ekin = 0.154556738723005 |  erot = 0.407858516721223 | epot = -15.179929290375 | etot = -14.6175140349308
-318000  ekin = 0.148411457828021 |  erot = 0.427134549771537 | epot = -15.1930600425428 | etot = -14.6175140349433
-319000  ekin = 0.143391260343281 |  erot = 0.446049980956607 | epot = -15.2069552762534 | etot = -14.6175140349535
-320000  ekin = 0.140135163879396 |  erot = 0.463857713006752 | epot = -15.2215069118476 | etot = -14.6175140349615
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-322000  ekin = 0.141309963686793 |  erot = 0.493483840953768 | epot = -15.2523078396114 | etot = -14.6175140349709
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-324000  ekin = 0.155802740978481 |  erot = 0.511838753068078 | epot = -15.285155529024 | etot = -14.6175140349775
-325000  ekin = 0.168637192339767 |  erot = 0.516129344219425 | epot = -15.3022805715425 | etot = -14.6175140349833
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-329000  ekin = 0.252245305622049 |  erot = 0.503209396460757 | epot = -15.372968737129 | etot = -14.6175140350462
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-331000  ekin = 0.304195517645128 |  erot = 0.48443992761456 | epot = -15.4061494803532 | etot = -14.6175140350935
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-334000  ekin = 0.374038491016672 |  erot = 0.454134842083235 | epot = -15.4456873682343 | etot = -14.6175140351344
-335000  ekin = 0.391723520500374 |  erot = 0.445908562625435 | epot = -15.4551461182583 | etot = -14.6175140351325
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-337000  ekin = 0.415374601838237 |  erot = 0.435356764652333 | epot = -15.4682454015957 | etot = -14.6175140351051
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-347000  ekin = 0.331352665808157 |  erot = 0.529520204053152 | epot = -15.4783869048429 | etot = -14.6175140349816
-348000  ekin = 0.314799955036598 |  erot = 0.545911447469195 | epot = -15.4782254374972 | etot = -14.6175140349914
-349000  ekin = 0.298675493175313 |  erot = 0.561444708834118 | epot = -15.4776342370104 | etot = -14.617514035001
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-351000  ekin = 0.269133730327555 |  erot = 0.587883045339148 | epot = -15.474530810678 | etot = -14.6175140350113
-352000  ekin = 0.256321431305235 |  erot = 0.597995738138075 | epot = -15.4718312044524 | etot = -14.6175140350091
-353000  ekin = 0.245153509654402 |  erot = 0.605705335206248 | epot = -15.4683728798615 | etot = -14.6175140350009
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-356000  ekin = 0.223427131306872 |  erot = 0.614143902824619 | epot = -15.4550850690789 | etot = -14.6175140349474
-357000  ekin = 0.220563006917723 |  erot = 0.612527933401769 | epot = -15.4506049752447 | etot = -14.6175140349252
-358000  ekin = 0.220010333197538 |  erot = 0.60913185554413 | epot = -15.4466562236462 | etot = -14.6175140349045
-359000  ekin = 0.221770268739923 |  erot = 0.604273418957614 | epot = -15.4435577225855 | etot = -14.6175140348879
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-361000  ekin = 0.231948578437353 |  erot = 0.591373251984939 | epot = -15.4408358652976 | etot = -14.6175140348753
-362000  ekin = 0.240071331018014 |  erot = 0.583815109039721 | epot = -15.4414004749402 | etot = -14.6175140348825
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-373000  ekin = 0.346161332161625 |  erot = 0.442283380419747 | epot = -15.4059587479197 | etot = -14.6175140353383
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-422000  ekin = 0.284509119561071 |  erot = 0.507392982381401 | epot = -15.4094161366887 | etot = -14.6175140347463
-423000  ekin = 0.302732060427469 |  erot = 0.485299248119889 | epot = -15.4055453433107 | etot = -14.6175140347633
-424000  ekin = 0.322778728051863 |  erot = 0.464438075671437 | epot = -15.404730838515 | etot = -14.6175140347917
-425000  ekin = 0.344144594922996 |  erot = 0.444869796713076 | epot = -15.4065284264653 | etot = -14.6175140348292
-426000  ekin = 0.366234204300256 |  erot = 0.426602052984605 | epot = -15.4103502921583 | etot = -14.6175140348734
-427000  ekin = 0.38838239833986 |  erot = 0.409609962240836 | epot = -15.415506395502 | etot = -14.6175140349213
-428000  ekin = 0.40988090004737 |  erot = 0.393856678092568 | epot = -15.4212516131098 | etot = -14.6175140349698
-429000  ekin = 0.430009061106105 |  erot = 0.3793117883821 | epot = -15.4268348845041 | etot = -14.6175140350159
-430000  ekin = 0.448067283635965 |  erot = 0.365965282400821 | epot = -15.4315466010937 | etot = -14.6175140350569
-431000  ekin = 0.463411378722737 |  erot = 0.353835411175292 | epot = -15.4347608249886 | etot = -14.6175140350906
-432000  ekin = 0.47548594153418 |  erot = 0.342969616703626 | epot = -15.4359695933533 | etot = -14.6175140351155
-433000  ekin = 0.483854704020027 |  erot = 0.333438714396081 | epot = -15.4348074535467 | etot = -14.6175140351306
-434000  ekin = 0.488225698518024 |  erot = 0.325325491782049 | epot = -15.4310652254357 | etot = -14.6175140351357
-435000  ekin = 0.488469615217025 |  erot = 0.318709988965525 | epot = -15.4246936393136 | etot = -14.617514035131
-436000  ekin = 0.484629100796627 |  erot = 0.313653867974387 | epot = -15.4157970038885 | etot = -14.6175140351175
-437000  ekin = 0.476917712283352 |  erot = 0.31018665419048 | epot = -15.4046184015704 | etot = -14.6175140350966
-438000  ekin = 0.465707830234562 |  erot = 0.308296241622574 | epot = -15.3915181069269 | etot = -14.6175140350697
-439000  ekin = 0.451507536799618 |  erot = 0.307925153770233 | epot = -15.3769467256089 | etot = -14.617514035039
-440000  ekin = 0.434927659012361 |  erot = 0.308973010492508 | epot = -15.3614147045112 | etot = -14.6175140350063
-441000  ekin = 0.416641657348261 |  erot = 0.311304747383359 | epot = -15.3454604397054 | etot = -14.6175140349738
-442000  ekin = 0.397341542600016 |  erot = 0.314762618736227 | epot = -15.3296181962794 | etot = -14.6175140349432
-443000  ekin = 0.377694362714129 |  erot = 0.319179725729442 | epot = -15.3143881233595 | etot = -14.617514034916
-444000  ekin = 0.358304425135544 |  erot = 0.324393298190371 | epot = -15.3002117582192 | etot = -14.6175140348933
-445000  ekin = 0.339684383334022 |  erot = 0.330254911560055 | epot = -15.2874533297701 | etot = -14.617514034876
-446000  ekin = 0.322237701350815 |  erot = 0.336636009508868 | epot = -15.2763877457239 | etot = -14.6175140348642
-447000  ekin = 0.306253086582814 |  erot = 0.343428242758809 | epot = -15.2671953641995 | etot = -14.6175140348578
-448000  ekin = 0.291909091343174 |  erot = 0.350538602021399 | epot = -15.2599617282213 | etot = -14.6175140348568
-449000  ekin = 0.279285717663651 |  erot = 0.357880263089595 | epot = -15.254680015614 | etot = -14.6175140348607
-450000  ekin = 0.268379332693091 |  erot = 0.365360767817947 | epot = -15.2512541353806 | etot = -14.6175140348695
-451000  ekin = 0.259117719162419 |  erot = 0.37286967756099 | epot = -15.2495014316066 | etot = -14.6175140348832
-452000  ekin = 0.251373384973268 |  erot = 0.380268095671416 | epot = -15.2491555155463 | etot = -14.6175140349016
-453000  ekin = 0.244974824127447 |  erot = 0.38738240236518 | epot = -15.2498712614169 | etot = -14.6175140349242
-454000  ekin = 0.239716691076118 |  erot = 0.394004131861865 | epot = -15.2512348578881 | etot = -14.6175140349501
-455000  ekin = 0.235370413814089 |  erot = 0.39989714564245 | epot = -15.2527815944341 | etot = -14.6175140349775
-456000  ekin = 0.231696513790491 |  erot = 0.404812188424975 | epot = -15.25402273722 | etot = -14.6175140350045
-457000  ekin = 0.228459014432025 |  erot = 0.408507709515261 | epot = -15.2544807589758 | etot = -14.6175140350285
-458000  ekin = 0.225441196082393 |  erot = 0.410774705624056 | epot = -15.2537299367532 | etot = -14.6175140350468
-459000  ekin = 0.222461018940579 |  erot = 0.411462514811907 | epot = -15.2514375688096 | etot = -14.6175140350571
-460000  ekin = 0.219384094438575 |  erot = 0.410502136529012 | epot = -15.2474002660254 | etot = -14.6175140350578
-461000  ekin = 0.216132245240139 |  erot = 0.407923844132457 | epot = -15.2415701244206 | etot = -14.6175140350481
-462000  ekin = 0.212686361973351 |  erot = 0.403866554423602 | epot = -15.2340669514251 | etot = -14.6175140350282
-463000  ekin = 0.209083218482862 |  erot = 0.39857748648972 | epot = -15.2251747399718 | etot = -14.6175140349992
-464000  ekin = 0.205406888263765 |  erot = 0.392401883856923 | epot = -15.2153228070839 | etot = -14.6175140349632
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-466000  ekin = 0.19833013096122 |  erot = 0.379139817336891 | epot = -15.1949839831792 | etot = -14.6175140348811
-467000  ekin = 0.19521322401714 |  erot = 0.373028711257264 | epot = -15.1857559701149 | etot = -14.6175140348405
-468000  ekin = 0.192562810062132 |  erot = 0.367919448414635 | epot = -15.1779962932805 | etot = -14.6175140348037
-469000  ekin = 0.190499545154684 |  erot = 0.364261004085321 | epot = -15.1722745840127 | etot = -14.6175140347727
-470000  ekin = 0.189122086032584 |  erot = 0.36243618058674 | epot = -15.169072301368 | etot = -14.6175140347487
-471000  ekin = 0.188506156938628 |  erot = 0.36274145620712 | epot = -15.1687616478782 | etot = -14.6175140347324
-472000  ekin = 0.188707621222064 |  erot = 0.365373993438309 | epot = -15.1715956493842 | etot = -14.6175140347238
-473000  ekin = 0.189768618621859 |  erot = 0.370426120543988 | epot = -15.177708773888 | etot = -14.6175140347222
-474000  ekin = 0.19172539734126 |  erot = 0.377886798112904 | epot = -15.1871262301805 | etot = -14.6175140347263
-475000  ekin = 0.194616213070776 |  erot = 0.387648901412899 | epot = -15.1997791492191 | etot = -14.6175140347354
-476000  ekin = 0.198487636160664 |  erot = 0.399520678156148 | epot = -15.215522349065 | etot = -14.6175140347482
-477000  ekin = 0.203397790429852 |  erot = 0.413239540255191 | epot = -15.234151365449 | etot = -14.617514034764
-478000  ekin = 0.209415519783228 |  erot = 0.428486466927386 | epot = -15.2554160214929 | etot = -14.6175140347822
-479000  ekin = 0.216615156594694 |  erot = 0.444899686772485 | epot = -15.2790288781698 | etot = -14.6175140348026
-480000  ekin = 0.225067223157684 |  erot = 0.462086880018517 | epot = -15.3046681380016 | etot = -14.6175140348254
-481000  ekin = 0.234826185147705 |  erot = 0.479635803739747 | epot = -15.3319760237383 | etot = -14.6175140348509
-482000  ekin = 0.245916939355105 |  erot = 0.497123799838217 | epot = -15.3605547740725 | etot = -14.6175140348792
-483000  ekin = 0.258322039580641 |  erot = 0.514126984881453 | epot = -15.3899630593724 | etot = -14.6175140349103
-484000  ekin = 0.271971667054619 |  erot = 0.530229960568958 | epot = -15.4197156625675 | etot = -14.617514034944
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-486000  ekin = 0.302435294441725 |  erot = 0.558182125190716 | epot = -15.4781314546478 | etot = -14.6175140350153
-487000  ekin = 0.318825369857728 |  erot = 0.569345540302787 | epot = -15.5056849452108 | etot = -14.6175140350503
-488000  ekin = 0.335629120855656 |  erot = 0.578262027782619 | epot = -15.531405183721 | etot = -14.6175140350827
-489000  ekin = 0.352541803824741 |  erot = 0.584733173542245 | epot = -15.5547890124777 | etot = -14.6175140351107
-490000  ekin = 0.369251041132792 |  erot = 0.588633902375989 | epot = -15.5753989786419 | etot = -14.6175140351332
-491000  ekin = 0.385455339942983 |  erot = 0.589914693969693 | epot = -15.5928840690617 | etot = -14.6175140351491
-492000  ekin = 0.400881156477967 |  erot = 0.588598334680247 | epot = -15.6069935263163 | etot = -14.6175140351581
-493000  ekin = 0.415296746376553 |  erot = 0.584771169137042 | epot = -15.6175819506742 | etot = -14.6175140351606
-494000  ekin = 0.428521503101982 |  erot = 0.578569614095138 | epot = -15.6246051523544 | etot = -14.6175140351573
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-496000  ekin = 0.450950706315982 |  erot = 0.559737766476903 | epot = -15.6282025079315 | etot = -14.6175140351386
-497000  ekin = 0.460059581797582 |  erot = 0.547476355485087 | epot = -15.625049972409 | etot = -14.6175140351264
-498000  ekin = 0.467769906491875 |  erot = 0.533547985554663 | epot = -15.6188319271606 | etot = -14.617514035114
-499000  ekin = 0.474119221072824 |  erot = 0.518098277332154 | epot = -15.6097315335076 | etot = -14.6175140351027
-500000  ekin = 0.479155106635124 |  erot = 0.501247978937035 | epot = -15.5979171206651 | etot = -14.6175140350929
-501000  ekin = 0.482921233339119 |  erot = 0.483098304082253 | epot = -15.5835335725061 | etot = -14.6175140350847
-502000  ekin = 0.485445093649443 |  erot = 0.463742920559215 | epot = -15.5667020492863 | etot = -14.6175140350777
-503000  ekin = 0.486728599210195 |  erot = 0.443285305605345 | epot = -15.5475279398864 | etot = -14.6175140350709
-504000  ekin = 0.486742408088644 |  erot = 0.421859374631577 | epot = -15.5261158177833 | etot = -14.6175140350631
-505000  ekin = 0.485424480828556 |  erot = 0.399650657767951 | epot = -15.5025891736495 | etot = -14.617514035053
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-507000  ekin = 0.478403198155664 |  erot = 0.353991273961026 | epot = -15.4499085071374 | etot = -14.6175140350207
-508000  ekin = 0.472458052936533 |  erot = 0.331306710133979 | epot = -15.4212787980677 | etot = -14.6175140349972
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-510000  ekin = 0.455081004105158 |  erot = 0.288759823578934 | epot = -15.3613548626199 | etot = -14.6175140349358
-511000  ekin = 0.443456979181397 |  erot = 0.270089690707654 | epot = -15.3310607047886 | etot = -14.6175140348996
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-515000  ekin = 0.377317407139249 |  erot = 0.226525548757382 | epot = -15.2213569906545 | etot = -14.6175140347578
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-517000  ekin = 0.334511811731694 |  erot = 0.229219509886453 | epot = -15.1812453563299 | etot = -14.6175140347118
-518000  ekin = 0.31170524916001 |  erot = 0.237166415926557 | epot = -15.1663856997852 | etot = -14.6175140346986
-519000  ekin = 0.288534562405369 |  erot = 0.249256456193465 | epot = -15.1553050532911 | etot = -14.6175140346923
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-551000  ekin = 0.399636550192623 |  erot = 0.203252510910342 | epot = -15.2204030958242 | etot = -14.6175140347212
-552000  ekin = 0.395797934839361 |  erot = 0.195147714574245 | epot = -15.2084596840995 | etot = -14.6175140346859
-553000  ekin = 0.390706676474544 |  erot = 0.191810879117663 | epot = -15.2000315902532 | etot = -14.617514034661
-554000  ekin = 0.384591526956369 |  erot = 0.193398609454551 | epot = -15.1955041710585 | etot = -14.6175140346476
-555000  ekin = 0.377656068330916 |  erot = 0.19991436289405 | epot = -15.1950844658716 | etot = -14.6175140346467
-556000  ekin = 0.370071512613931 |  erot = 0.211205266307017 | epot = -15.1987908135787 | etot = -14.6175140346577
-557000  ekin = 0.36197393927111 |  erot = 0.226964515102746 | epot = -15.2064524890542 | etot = -14.6175140346804
-558000  ekin = 0.353466765019197 |  erot = 0.246739996101858 | epot = -15.2177207958342 | etot = -14.6175140347131
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-566000  ekin = 0.282736992095597 |  erot = 0.465680158919343 | epot = -15.365931185984 | etot = -14.617514034969
-567000  ekin = 0.276599956454081 |  erot = 0.489770841522359 | epot = -15.3838848329429 | etot = -14.6175140349664
-568000  ekin = 0.27216505279084 |  erot = 0.511348887820148 | epot = -15.4010279755711 | etot = -14.6175140349601
-569000  ekin = 0.269753809413471 |  erot = 0.530185258476735 | epot = -15.4174531028449 | etot = -14.6175140349547
-570000  ekin = 0.269583567607588 |  erot = 0.546150320474201 | epot = -15.4332479230357 | etot = -14.6175140349539
-571000  ekin = 0.271731068578172 |  erot = 0.559192265325177 | epot = -15.4484373688639 | etot = -14.6175140349605
-572000  ekin = 0.276116495687432 |  erot = 0.569316321633614 | epot = -15.4629468522957 | etot = -14.6175140349746
-573000  ekin = 0.282512256444886 |  erot = 0.576569321997795 | epot = -15.4765956134373 | etot = -14.6175140349946
-574000  ekin = 0.290574483947776 |  erot = 0.581030490761164 | epot = -15.4891190097261 | etot = -14.6175140350172
-575000  ekin = 0.29989011332688 |  erot = 0.582808418137279 | epot = -15.5002125665027 | etot = -14.6175140350386
-576000  ekin = 0.310029076131083 |  erot = 0.58204167895457 | epot = -15.5095847901411 | etot = -14.6175140350554
-577000  ekin = 0.32059114413582 |  erot = 0.578899817193175 | epot = -15.5170049963945 | etot = -14.6175140350655
-578000  ekin = 0.331239680817797 |  erot = 0.57358190432124 | epot = -15.5223356202071 | etot = -14.617514035068
-579000  ekin = 0.341718767395696 |  erot = 0.56631121381473 | epot = -15.525544016274 | etot = -14.6175140350636
-580000  ekin = 0.351854361646102 |  erot = 0.557326170820742 | epot = -15.5266945675208 | etot = -14.6175140350539
-581000  ekin = 0.361543170719809 |  erot = 0.546869043111593 | epot = -15.5259262488726 | etot = -14.6175140350412
-582000  ekin = 0.370734291431534 |  erot = 0.535174473618308 | epot = -15.5234228000773 | etot = -14.6175140350275
-583000  ekin = 0.379408545146128 |  erot = 0.522459863754616 | epot = -15.5193824439152 | etot = -14.6175140350144
-584000  ekin = 0.387559338331809 |  erot = 0.508918999940124 | epot = -15.5139923732754 | etot = -14.6175140350035
-585000  ekin = 0.395177418309166 |  erot = 0.494719483695415 | epot = -15.5074109369997 | etot = -14.6175140349952
-586000  ekin = 0.40224053351631 |  erot = 0.480003760425538 | epot = -15.4997583289313 | etot = -14.6175140349895
-587000  ekin = 0.408707997144967 |  erot = 0.46489301429509 | epot = -15.4911150464262 | etot = -14.6175140349862
-588000  ekin = 0.41451954577264 |  erot = 0.449492951761598 | epot = -15.4815265325189 | etot = -14.6175140349847
-589000  ekin = 0.419597612555005 |  erot = 0.433900487906577 | epot = -15.4710121354457 | etot = -14.6175140349841
-590000  ekin = 0.423852083806215 |  erot = 0.418210489544372 | epot = -15.4595766083342 | etot = -14.6175140349836
-591000  ekin = 0.427186671517101 |  erot = 0.402521929659454 | epot = -15.4472226361592 | etot = -14.6175140349826
-592000  ekin = 0.429506137373277 |  erot = 0.386943005730419 | epot = -15.4339631780839 | etot = -14.6175140349802
-593000  ekin = 0.430723706116176 |  erot = 0.371594936610879 | epot = -15.4198326777029 | etot = -14.6175140349759
-594000  ekin = 0.430768094953374 |  erot = 0.356614269838323 | epot = -15.4048963997609 | etot = -14.6175140349692
-595000  ekin = 0.429589664829875 |  erot = 0.342153609171697 | epot = -15.3892573089615 | etot = -14.61751403496
-596000  ekin = 0.427165296133174 |  erot = 0.328380718542556 | epot = -15.3730600496239 | etot = -14.6175140349482
-597000  ekin = 0.423501658499685 |  erot = 0.315475989403645 | epot = -15.3564916828373 | etot = -14.617514034934
-598000  ekin = 0.418636501255329 |  erot = 0.303628359581922 | epot = -15.339778895755 | etot = -14.6175140349178
-599000  ekin = 0.412638207582293 |  erot = 0.293029673723861 | epot = -15.3231819162063 | etot = -14.6175140349001
-600000  ekin = 0.405603414753543 |  erot = 0.283867637226416 | epot = -15.3069850868619 | etot = -14.6175140348819
-601000  ekin = 0.397652939448511 |  erot = 0.276317573361135 | epot = -15.2914845476735 | etot = -14.6175140348639
-602000  ekin = 0.388926339151605 |  erot = 0.270533300128888 | epot = -15.2769736741277 | etot = -14.6175140348472
-603000  ekin = 0.379575547710993 |  erot = 0.266637582798826 | epot = -15.2637271653425 | etot = -14.6175140348327
-604000  ekin = 0.369758112224389 |  erot = 0.264712769809609 | epot = -15.2519849168554 | etot = -14.6175140348214
-605000  ekin = 0.359630614964524 |  erot = 0.264792359550254 | epot = -15.2419370093288 | etot = -14.617514034814
-606000  ekin = 0.349342882571262 |  erot = 0.266854337886864 | epot = -15.2337112552692 | etot = -14.617514034811
-607000  ekin = 0.339033558751527 |  erot = 0.270817131627439 | epot = -15.2273647251917 | etot = -14.6175140348127
-608000  ekin = 0.328827538259385 |  erot = 0.276538908097079 | epot = -15.2228804811754 | etot = -14.6175140348189
-609000  ekin = 0.318835621087638 |  erot = 0.283820700144191 | epot = -15.2201703560608 | etot = -14.6175140348289
-610000  ekin = 0.309156542568334 |  erot = 0.292413461055663 | epot = -15.2190840384659 | etot = -14.6175140348419
-611000  ekin = 0.299881272108232 |  erot = 0.302028697869809 | epot = -15.2194240048346 | etot = -14.6175140348565
-612000  ekin = 0.291099167856286 |  erot = 0.312351863789578 | epot = -15.2209650665173 | etot = -14.6175140348714
-613000  ekin = 0.282905257831661 |  erot = 0.323057294042041 | epot = -15.2234765867588 | etot = -14.6175140348851
-614000  ekin = 0.275407632339961 |  erot = 0.333823223652894 | epot = -15.2267448908891 | etot = -14.6175140348962
-615000  ekin = 0.26873372556729 |  erot = 0.344345386320852 | epot = -15.2305931467921 | etot = -14.617514034904
-616000  ekin = 0.263034181136622 |  erot = 0.354347879927032 | epot = -15.2348960959715 | etot = -14.6175140349079
-617000  ekin = 0.258483071857947 |  erot = 0.363590372787281 | epot = -15.2395874795531 | etot = -14.6175140349079
-618000  ekin = 0.255273496413766 |  erot = 0.371871254538862 | epot = -15.2446587858573 | etot = -14.6175140349047
-619000  ekin = 0.253608004174891 |  erot = 0.37902692128738 | epot = -15.2501489603617 | etot = -14.6175140348994
-620000  ekin = 0.253683881422316 |  erot = 0.384927934514025 | epot = -15.2561258508301 | etot = -14.6175140348938
-621000  ekin = 0.255674023710186 |  erot = 0.38947322607256 | epot = -15.2626612846723 | etot = -14.6175140348895
-622000  ekin = 0.259704853368001 |  erot = 0.392583779640456 | epot = -15.2698026678969 | etot = -14.6175140348885
-623000  ekin = 0.265833429999869 |  erot = 0.394197274406528 | epot = -15.2775447392986 | etot = -14.6175140348922
-624000  ekin = 0.274026439188712 |  erot = 0.39426503162541 | epot = -15.2858055057159 | etot = -14.6175140349018
-625000  ekin = 0.28414401573886 |  erot = 0.392752285177006 | epot = -15.2944103358335 | etot = -14.6175140349177
-626000  ekin = 0.295931256226584 |  erot = 0.389642344381237 | epot = -15.3030876355469 | etot = -14.6175140349391
-627000  ekin = 0.309019727830048 |  erot = 0.38494467650503 | epot = -15.3114784392999 | etot = -14.6175140349648
-628000  ekin = 0.322940275279362 |  erot = 0.378706350960167 | epot = -15.3191606612317 | etot = -14.6175140349922
-629000  ekin = 0.33714704369846 |  erot = 0.371025698974889 | epot = -15.3256867776917 | etot = -14.6175140350184
-630000  ekin = 0.351051052995026 |  erot = 0.362066500827023 | epot = -15.3306315888619 | etot = -14.6175140350398
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-632000  ekin = 0.375621025661451 |  erot = 0.341366514681197 | epot = -15.3345015753989 | etot = -14.6175140350562
-633000  ekin = 0.385258541224348 |  erot = 0.330372092305628 | epot = -15.3331446685766 | etot = -14.6175140350467
-634000  ekin = 0.392607865616114 |  erot = 0.319588956493675 | epot = -15.3297108571339 | etot = -14.6175140350242
-635000  ekin = 0.397436097277863 |  erot = 0.309588318033291 | epot = -15.3245384503008 | etot = -14.6175140349896
-636000  ekin = 0.399651602684384 |  erot = 0.300988094378239 | epot = -15.3181537320078 | etot = -14.6175140349452
-637000  ekin = 0.399301141332031 |  erot = 0.294422893568743 | epot = -15.3112380697947 | etot = -14.6175140348939
-638000  ekin = 0.396556439146212 |  erot = 0.290509369489303 | epot = -15.3045798434751 | etot = -14.6175140348396
-639000  ekin = 0.391692975512742 |  erot = 0.289810143796987 | epot = -15.2990171540957 | etot = -14.617514034786
-640000  ekin = 0.385064212932884 |  erot = 0.292799653113167 | epot = -15.2953779007829 | etot = -14.6175140347368
-641000  ekin = 0.377074355550043 |  erot = 0.299834934662484 | epot = -15.2944233249075 | etot = -14.617514034695
-642000  ekin = 0.36815213396031 |  erot = 0.311133625025692 | epot = -15.296799793649 | etot = -14.617514034663
-643000  ekin = 0.358727298273998 |  erot = 0.326760494743229 | epot = -15.3030018276596 | etot = -14.6175140346424
-644000  ekin = 0.34921067024251 |  erot = 0.346622862553685 | epot = -15.31334756743 | etot = -14.6175140346338
-645000  ekin = 0.339977915474048 |  erot = 0.37047437627955 | epot = -15.3279663263911 | etot = -14.6175140346375
-646000  ekin = 0.331356734048622 |  erot = 0.397926004728971 | epot = -15.3467967734305 | etot = -14.6175140346529
-647000  ekin = 0.323616951061544 |  erot = 0.428462692621732 | epot = -15.3695936783625 | etot = -14.6175140346793
-648000  ekin = 0.316962984679468 |  erot = 0.461463981263932 | epot = -15.395941000659 | etot = -14.6175140347156
-649000  ekin = 0.311528303721688 |  erot = 0.496226945506027 | epot = -15.4252692839881 | etot = -14.6175140347604
-650000  ekin = 0.307371814502165 |  erot = 0.531990113311448 | epot = -15.4568759626262 | etot = -14.6175140348126
-651000  ekin = 0.304476169211829 |  erot = 0.567957247023059 | epot = -15.4899474511054 | etot = -14.6175140348705
-652000  ekin = 0.302748327843535 |  erot = 0.60332035253876 | epot = -15.5235827153148 | etot = -14.6175140349325
-653000  ekin = 0.302022769690184 |  erot = 0.637281675063402 | epot = -15.5568184797505 | etot = -14.6175140349969
-654000  ekin = 0.302067723594906 |  erot = 0.669074745115681 | epot = -15.5886565037724 | etot = -14.6175140350619
-655000  ekin = 0.302594671775626 |  erot = 0.697984728109799 | epot = -15.6180934350106 | etot = -14.6175140351251
-656000  ekin = 0.303271161274583 |  erot = 0.723368330431512 | epot = -15.6441535268905 | etot = -14.6175140351844
-657000  ekin = 0.303736663271753 |  erot = 0.744673311811916 | epot = -15.665924010321 | etot = -14.6175140352373
-658000  ekin = 0.303620889263351 |  erot = 0.761457272709908 | epot = -15.6825921972546 | etot = -14.6175140352814
-659000  ekin = 0.302563666908925 |  erot = 0.773404945480632 | epot = -15.6934826477037 | etot = -14.6175140353142
-660000  ekin = 0.300235395695972 |  erot = 0.780343280385513 | epot = -15.6980927114155 | etot = -14.617514035334
-661000  ekin = 0.296355710532695 |  erot = 0.782250083092907 | epot = -15.6961198289653 | etot = -14.6175140353397
-662000  ekin = 0.290710478297866 |  erot = 0.779257959177568 | epot = -15.6874824728056 | etot = -14.6175140353302
-663000  ekin = 0.283165147464187 |  erot = 0.771650651991695 | epot = -15.6723298347619 | etot = -14.6175140353061
-664000  ekin = 0.27367342717685 |  erot = 0.759850562456021 | epot = -15.6510380249011 | etot = -14.6175140352683
-665000  ekin = 0.262280913452634 |  erot = 0.744397727319339 | epot = -15.6241926759908 | etot = -14.6175140352189
-666000  ekin = 0.249123647022579 |  erot = 0.725921231745118 | epot = -15.5925589139283 | etot = -14.6175140351606
-667000  ekin = 0.234422061210101 |  erot = 0.705104954965606 | epot = -15.5570410512721 | etot = -14.6175140350964
-668000  ekin = 0.21847115836915 |  erot = 0.682650243125486 | epot = -15.5186354365242 | etot = -14.6175140350295
-669000  ekin = 0.201627981911564 |  erot = 0.659238455807376 | epot = -15.4783804726821 | etot = -14.6175140349631
-670000  ekin = 0.184297501938707 |  erot = 0.635496303881828 | epot = -15.4373078407206 | etot = -14.6175140349
-671000  ekin = 0.166917915804601 |  erot = 0.611966525749056 | epot = -15.3963984763962 | etot = -14.6175140348426
-672000  ekin = 0.14994612067378 |  erot = 0.589085832362602 | epot = -15.3565459878289 | etot = -14.6175140347925
-673000  ekin = 0.133843801904186 |  erot = 0.567171306813788 | epot = -15.3185291434687 | etot = -14.6175140347508
-674000  ekin = 0.11906426267423 |  erot = 0.546415679822096 | epot = -15.2829939772144 | etot = -14.6175140347181
-675000  ekin = 0.106039855016816 |  erot = 0.526891195483755 | epot = -15.250445085195 | etot = -14.6175140346944
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-677000  ekin = 0.0868074519861288 |  erot = 0.491297978911212 | epot = -15.1956194655695 | etot = -14.6175140346721
-678000  ekin = 0.0812485969713333 |  erot = 0.474905301100386 | epot = -15.1736679327439 | etot = -14.6175140346722
-679000  ekin = 0.0787177619801802 |  erot = 0.459143233465912 | epot = -15.1553750301247 | etot = -14.6175140346786
-680000  ekin = 0.0793562024651087 |  erot = 0.443753980650389 | epot = -15.1406242178062 | etot = -14.6175140346907
-681000  ekin = 0.0832104900793269 |  erot = 0.428486254342735 | epot = -15.1292107791297 | etot = -14.6175140347077
-682000  ekin = 0.0902236865228919 |  erot = 0.413116880934118 | epot = -15.1208546021858 | etot = -14.6175140347288
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-684000  ekin = 0.112958164259237 |  erot = 0.381423459019101 | epot = -15.1118956580582 | etot = -14.6175140347798
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-686000  ekin = 0.144995008361833 |  erot = 0.348018922992772 | epot = -15.1105279661896 | etot = -14.617514034835
-687000  ekin = 0.163316207854889 |  erot = 0.330783730220943 | epot = -15.1116139729365 | etot = -14.6175140348607
-688000  ekin = 0.182425234215544 |  erot = 0.313400732953569 | epot = -15.1133400020522 | etot = -14.617514034883
-689000  ekin = 0.201732335852432 |  erot = 0.296114640200949 | epot = -15.1153610109544 | etot = -14.617514034901
-690000  ekin = 0.220654383890869 |  erot = 0.279234374239734 | epot = -15.1174027930442 | etot = -14.6175140349136
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-692000  ekin = 0.255173895595901 |  erot = 0.248192653896393 | epot = -15.1208805844139 | etot = -14.6175140349216
-693000  ekin = 0.269818995117429 |  erot = 0.234878024007872 | epot = -15.1222110540427 | etot = -14.6175140349174
-694000  ekin = 0.282198402188447 |  erot = 0.223632668705063 | epot = -15.1233451058023 | etot = -14.6175140349088
-695000  ekin = 0.292016609392549 |  erot = 0.214904477347542 | epot = -15.1244351216368 | etot = -14.6175140348967
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-700000  ekin = 0.298568596343111 |  erot = 0.221923881122147 | epot = -15.1380065122769 | etot = -14.6175140348117
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-702000  ekin = 0.283427734153978 |  erot = 0.252078414120717 | epot = -15.1530201830472 | etot = -14.6175140347725
-703000  ekin = 0.273534855577064 |  erot = 0.272887068860867 | epot = -15.1639359591906 | etot = -14.6175140347527
-704000  ekin = 0.262941046164713 |  erot = 0.297126498876207 | epot = -15.1775815797745 | etot = -14.6175140347336
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-707000  ekin = 0.23468046525942 |  erot = 0.385584073394808 | epot = -15.2377785733565 | etot = -14.6175140347022
-708000  ekin = 0.229056562326963 |  erot = 0.418241319395649 | epot = -15.2648119164325 | etot = -14.6175140347099
-709000  ekin = 0.226457657534039 |  erot = 0.451273895784603 | epot = -15.2952455880501 | etot = -14.6175140347315
-710000  ekin = 0.227314828596025 |  erot = 0.483896330832019 | epot = -15.3287251941967 | etot = -14.6175140347686
-711000  ekin = 0.231819479497738 |  erot = 0.515320742172354 | epot = -15.3646542564915 | etot = -14.6175140348214
-712000  ekin = 0.239893150549438 |  erot = 0.544788749313879 | epot = -15.4021959347513 | etot = -14.617514034888
-713000  ekin = 0.251183758823603 |  erot = 0.571606341189959 | epot = -15.4403041349781 | etot = -14.6175140349645
-714000  ekin = 0.265090036185668 |  erot = 0.595179886373849 | epot = -15.4777839576047 | etot = -14.6175140350452
-715000  ekin = 0.28081130696852 |  erot = 0.615050345045233 | epot = -15.5133756871375 | etot = -14.6175140351237
-716000  ekin = 0.297415784950189 |  erot = 0.630922165704455 | epot = -15.5458519858483 | etot = -14.6175140351937
-717000  ekin = 0.313918116237523 |  erot = 0.642683345317396 | epot = -15.5741154968043 | etot = -14.6175140352494
-718000  ekin = 0.329356373326552 |  erot = 0.650413757300739 | epot = -15.5972841659139 | etot = -14.6175140352866
-719000  ekin = 0.342860093483745 |  erot = 0.654380316354885 | epot = -15.6147544451418 | etot = -14.6175140353032
-720000  ekin = 0.353703497402202 |  erot = 0.655019233384843 | epot = -15.6262367660857 | etot = -14.6175140352986
-721000  ekin = 0.361340844904886 |  erot = 0.65290643149649 | epot = -15.6317613116759 | etot = -14.6175140352745
-722000  ekin = 0.365423978940517 |  erot = 0.648719378781022 | epot = -15.6316573929551 | etot = -14.6175140352336
-723000  ekin = 0.365803989071178 |  erot = 0.643193727890515 | epot = -15.6265117521415 | etot = -14.6175140351798
-724000  ekin = 0.362520178744139 |  erot = 0.637078359573047 | epot = -15.6171125734343 | etot = -14.6175140351171
-725000  ekin = 0.355779938479173 |  erot = 0.631092082280536 | epot = -15.6043860558098 | etot = -14.6175140350501
-726000  ekin = 0.345932952940639 |  erot = 0.625884613514309 | epot = -15.5893316014374 | etot = -14.6175140349825
-727000  ekin = 0.333442641404524 |  erot = 0.622003743386552 | epot = -15.5729604197091 | etot = -14.617514034918
-728000  ekin = 0.318857050496168 |  erot = 0.619869891938089 | epot = -15.5562409772939 | etot = -14.6175140348596
-729000  ekin = 0.302780724956394 |  erot = 0.619758691690499 | epot = -15.5400534514564 | etot = -14.6175140348095
-730000  ekin = 0.285848455040455 |  erot = 0.621791770571174 | epot = -15.5251542603809 | etot = -14.6175140347692
-731000  ekin = 0.26870127220445 |  erot = 0.625935552812111 | epot = -15.5121508597563 | etot = -14.6175140347397
-732000  ekin = 0.251964649663605 |  erot = 0.632007594592718 | epot = -15.5014862789777 | etot = -14.6175140347214
-733000  ekin = 0.23622856949642 |  erot = 0.639689689353724 | epot = -15.4934322935641 | etot = -14.617514034714
-734000  ekin = 0.22202896074664 |  erot = 0.648546698715862 | epot = -15.4880896941799 | etot = -14.6175140347174
-735000  ekin = 0.209830023527923 |  erot = 0.658049804518407 | epot = -15.4853938627768 | etot = -14.6175140347305
-736000  ekin = 0.200007166761325 |  erot = 0.667602683400252 | epot = -15.4851238849144 | etot = -14.6175140347528
-737000  ekin = 0.192830719625369 |  erot = 0.676569044421863 | epot = -15.4869137988308 | etot = -14.6175140347836
-738000  ekin = 0.188451200585979 |  erot = 0.684300102138454 | epot = -15.4902653375465 | etot = -14.617514034822
-739000  ekin = 0.186887639937102 |  erot = 0.690160900652221 | epot = -15.4945625754563 | etot = -14.617514034867
-740000  ekin = 0.188021068410999 |  erot = 0.693554915035455 | epot = -15.4990900183636 | etot = -14.6175140349171
-741000  ekin = 0.191595568995565 |  erot = 0.69394692273094 | epot = -15.5030565266968 | etot = -14.6175140349703
-742000  ekin = 0.197228843628675 |  erot = 0.690884208638915 | epot = -15.5056270872918 | etot = -14.6175140350242
-743000  ekin = 0.204433503637947 |  erot = 0.684016821527801 | epot = -15.5059643602412 | etot = -14.6175140350754
-744000  ekin = 0.212648433381768 |  erot = 0.673116668202712 | epot = -15.503279136705 | etot = -14.6175140351205
-745000  ekin = 0.221277722248209 |  erot = 0.658094727365056 | epot = -15.4968864847687 | etot = -14.6175140351555
-746000  ekin = 0.229733012317386 |  erot = 0.639014583780922 | epot = -15.4862616312757 | etot = -14.6175140351773
-747000  ekin = 0.237474044144066 |  erot = 0.616100096672262 | epot = -15.4710881760001 | etot = -14.6175140351838
-748000  ekin = 0.24404226676242 |  erot = 0.589734872786629 | epot = -15.451291174723 | etot = -14.617514035174
-749000  ekin = 0.249083597952536 |  erot = 0.56045151840253 | epot = -15.4270491515038 | etot = -14.6175140351487
-750000  ekin = 0.252358330146342 |  erot = 0.528910066810434 | epot = -15.3987824320668 | etot = -14.61751403511
-751000  ekin = 0.253738423480739 |  erot = 0.495866496253741 | epot = -15.3671189547961 | etot = -14.6175140350616
-752000  ekin = 0.253194394014706 |  erot = 0.462133785332398 | epot = -15.3328422143544 | etot = -14.6175140350073
-753000  ekin = 0.250775308154742 |  erot = 0.428539072349833 | epot = -15.2968284154563 | etot = -14.6175140349517
-754000  ekin = 0.246585878545906 |  erot = 0.39588096457829 | epot = -15.2599808780228 | etot = -14.6175140348986
-755000  ekin = 0.240764398112206 |  erot = 0.364890850085353 | epot = -15.2231692830488 | etot = -14.6175140348513
-756000  ekin = 0.233464471042429 |  erot = 0.336201330030534 | epot = -15.1871798358847 | etot = -14.6175140348117
-757000  ekin = 0.224842467157488 |  erot = 0.310323830730611 | epot = -15.1526803326693 | etot = -14.6175140347812
-758000  ekin = 0.215051562420665 |  erot = 0.28763629395336 | epot = -15.1202018911339 | etot = -14.6175140347598
-759000  ekin = 0.204242275875669 |  erot = 0.268380753510823 | epot = -15.0901370641329 | etot = -14.6175140347464
-760000  ekin = 0.192568636065047 |  erot = 0.252669695564096 | epot = -15.0627523663687 | etot = -14.6175140347396
-761000  ekin = 0.180198520175642 |  erot = 0.240499428913165 | epot = -15.0382119838259 | etot = -14.6175140347371
-762000  ekin = 0.167326299029133 |  erot = 0.231768292969525 | epot = -15.0166086267356 | etot = -14.6175140347369
-763000  ekin = 0.154185685902082 |  erot = 0.226297425418103 | epot = -14.9979971460569 | etot = -14.6175140347367
-764000  ekin = 0.141060632749181 |  erot = 0.223852003350681 | epot = -14.9824266708346 | etot = -14.6175140347347
-765000  ekin = 0.12829225229713 |  erot = 0.224161332820225 | epot = -14.9699676198472 | etot = -14.6175140347299
-766000  ekin = 0.116280064488657 |  erot = 0.226936813025332 | epot = -14.9607309122353 | etot = -14.6175140347213
-767000  ekin = 0.105476340627603 |  erot = 0.231887507272391 | epot = -14.9548778826093 | etot = -14.6175140347093
-768000  ekin = 0.0963728909465996 |  erot = 0.238733641346968 | epot = -14.9526205669878 | etot = -14.6175140346942
-769000  ekin = 0.0894802427438036 |  erot = 0.2472186554107 | epot = -14.9542129328318 | etot = -14.6175140346773
-770000  ekin = 0.08529973610986 |  erot = 0.2571203536096 | epot = -14.9599341243793 | etot = -14.6175140346598
-771000  ekin = 0.0842896183574619 |  erot = 0.268261228609979 | epot = -14.9700648816111 | etot = -14.6175140346437
-772000  ekin = 0.0868267987479274 |  erot = 0.280517313420821 | epot = -14.9848581468 | etot = -14.6175140346312
-773000  ekin = 0.0931666172479489 |  erot = 0.293824162660612 | epot = -15.0045048145333 | etot = -14.6175140346247
-774000  ekin = 0.10340384382629 |  erot = 0.308178073397322 | epot = -15.0290959518504 | etot = -14.6175140346268
-775000  ekin = 0.117439110045037 |  erot = 0.323630675217712 | epot = -15.0585838199026 | etot = -14.6175140346399
-776000  ekin = 0.134955835364906 |  erot = 0.340275613675123 | epot = -15.092745483706 | etot = -14.617514034666
-777000  ekin = 0.155413263634573 |  erot = 0.35822784274539 | epot = -15.1311551410861 | etot = -14.6175140347062
-778000  ekin = 0.178060391220184 |  erot = 0.377596905888857 | epot = -15.173171331869 | etot = -14.6175140347599
-779000  ekin = 0.201973803863688 |  erot = 0.398457850157365 | epot = -15.2179456888462 | etot = -14.6175140348252
-780000  ekin = 0.226119091212137 |  erot = 0.420824480237588 | epot = -15.2644576063475 | etot = -14.6175140348978
-781000  ekin = 0.249431156624394 |  erot = 0.44462958531423 | epot = -15.311574776911 | etot = -14.6175140349724
-782000  ekin = 0.270904470267411 |  erot = 0.469715692367093 | epot = -15.3581341976773 | etot = -14.6175140350428
-783000  ekin = 0.28968127378142 |  erot = 0.495837747640981 | epot = -15.4030330565254 | etot = -14.617514035103
-784000  ekin = 0.305125009984979 |  erot = 0.522676532161812 | epot = -15.4453155772949 | etot = -14.6175140351481
-785000  ekin = 0.316868262921746 |  erot = 0.549859353707455 | epot = -15.4842416518048 | etot = -14.6175140351756
-786000  ekin = 0.324828845887884 |  erot = 0.576983310023367 | epot = -15.5193261910961 | etot = -14.6175140351849
-787000  ekin = 0.329193233878375 |  erot = 0.603636505802115 | epot = -15.5503437748585 | etot = -14.617514035178
-788000  ekin = 0.330371864851512 |  erot = 0.62941387556452 | epot = -15.5772997755748 | etot = -14.6175140351588
-789000  ekin = 0.328934711355232 |  erot = 0.653926193133343 | epot = -15.6003749396208 | etot = -14.6175140351322
-790000  ekin = 0.325537319473875 |  erot = 0.676802790007464 | epot = -15.6198541445849 | etot = -14.6175140351035
-791000  ekin = 0.32084726793388 |  erot = 0.697689943212792 | epot = -15.6360512462243 | etot = -14.6175140350777
-792000  ekin = 0.315479253540088 |  erot = 0.716247584425374 | epot = -15.6492408730235 | etot = -14.6175140350581
-793000  ekin = 0.309944490983019 |  erot = 0.732146955923502 | epot = -15.6596054819539 | etot = -14.6175140350473
-794000  ekin = 0.304617480926299 |  erot = 0.745071299200878 | epot = -15.6672028151732 | etot = -14.617514035046
-795000  ekin = 0.299720880977559 |  erot = 0.754720862086029 | epot = -15.6719557781173 | etot = -14.6175140350537
-796000  ekin = 0.295327396181303 |  erot = 0.76082265878866 | epot = -15.6736640900384 | etot = -14.6175140350684
-797000  ekin = 0.29137629685275 |  erot = 0.763144639346192 | epot = -15.6720349712861 | etot = -14.6175140350872
-798000  ekin = 0.287701294704656 |  erot = 0.761513269132569 | epot = -15.6667285989435 | etot = -14.6175140351063
-799000  ekin = 0.284065979572991 |  erot = 0.755832991337627 | epot = -15.6574130060325 | etot = -14.6175140351218
-800000  ekin = 0.2802027906322 |  erot = 0.746105645864821 | epot = -15.6438224716273 | etot = -14.6175140351303
-801000  ekin = 0.275851560112955 |  erot = 0.732447665813925 | epot = -15.6258132610552 | etot = -14.6175140351283
-802000  ekin = 0.270794034433638 |  erot = 0.715102809073011 | epot = -15.6034108786203 | etot = -14.6175140351136
-803000  ekin = 0.264881442636258 |  erot = 0.694448356026044 | epot = -15.5768438337475 | etot = -14.6175140350852
-804000  ekin = 0.258053167890663 |  erot = 0.670993199746617 | epot = -15.5465604026803 | etot = -14.617514035043
-805000  ekin = 0.250345604727835 |  erot = 0.645366941436453 | epot = -15.5132265811527 | etot = -14.6175140349884
-806000  ekin = 0.241890533711289 |  erot = 0.618299214643985 | epot = -15.477703783279 | etot = -14.6175140349237
-807000  ekin = 0.232905655206452 |  erot = 0.590591287735814 | epot = -15.4410109777946 | etot = -14.6175140348523
-808000  ekin = 0.223678061732375 |  erot = 0.563080896687659 | epot = -15.404272993198 | etot = -14.617514034778
-809000  ekin = 0.21454303522996 |  erot = 0.536602758841135 | epot = -15.3686598287762 | etot = -14.6175140347051
-810000  ekin = 0.205860488312556 |  erot = 0.511947500022913 | epot = -15.3353220229731 | etot = -14.6175140346377
-811000  ekin = 0.197991117805052 |  erot = 0.489821758277054 | epot = -15.3053269106615 | etot = -14.6175140345794
-812000  ekin = 0.191273941670663 |  erot = 0.470812030933229 | epot = -15.2796000071375 | etot = -14.6175140345336
-813000  ekin = 0.18600640436924 |  erot = 0.45535445106164 | epot = -15.2588748899336 | etot = -14.6175140345027
-814000  ekin = 0.182427753711751 |  erot = 0.443712201373144 | epot = -15.2436539895734 | etot = -14.6175140344885
-815000  ekin = 0.180705986334949 |  erot = 0.435961774090769 | epot = -15.2341817949177 | etot = -14.6175140344919
-816000  ekin = 0.180928373605182 |  erot = 0.431988814112557 | epot = -15.2304312222307 | etot = -14.6175140345129
-817000  ekin = 0.183095431234026 |  erot = 0.431493858262996 | epot = -15.2321033240478 | etot = -14.6175140345508
-818000  ekin = 0.187118173911453 |  erot = 0.434007895069015 | epot = -15.2386401035843 | etot = -14.6175140346039
-819000  ekin = 0.192818568053509 |  erot = 0.438917286806428 | epot = -15.2492498895297 | etot = -14.6175140346697
-820000  ekin = 0.199933211815025 |  erot = 0.445497181488113 | epot = -15.2629444280486 | etot = -14.6175140347454
-821000  ekin = 0.20812037408232 |  erot = 0.452952069483673 | epot = -15.2785864783934 | etot = -14.6175140348274
-822000  ekin = 0.216970558498732 |  erot = 0.460461605795622 | epot = -15.2949461992058 | etot = -14.6175140349114
-823000  ekin = 0.226020685629658 |  erot = 0.467229260922841 | epot = -15.3107639815457 | etot = -14.6175140349932
-824000  ekin = 0.234771793852156 |  erot = 0.472530858216735 | epot = -15.3248166871376 | etot = -14.6175140350687
-825000  ekin = 0.242709867662636 |  erot = 0.475759712130497 | epot = -15.3359836149267 | etot = -14.6175140351335
-826000  ekin = 0.249329060858576 |  erot = 0.476465014357267 | epot = -15.3433081104001 | etot = -14.6175140351843
-827000  ekin = 0.254156259486422 |  erot = 0.474380409602728 | epot = -15.3460507043074 | etot = -14.6175140352182
-828000  ekin = 0.256775693171427 |  erot = 0.469440383344433 | epot = -15.3437301117495 | etot = -14.6175140352336
-829000  ekin = 0.25685220121729 |  erot = 0.46178309210189 | epot = -15.336149328549 | etot = -14.6175140352298
-830000  ekin = 0.254151805817293 |  erot = 0.45173946704091 | epot = -15.3234053080654 | etot = -14.6175140352072
-831000  ekin = 0.248558416434232 |  erot = 0.439809632306185 | epot = -15.3058820839078 | etot = -14.6175140351674
-832000  ekin = 0.240085737091458 |  erot = 0.426628719075598 | epot = -15.2842284912796 | etot = -14.6175140351126
-833000  ekin = 0.228883712687993 |  erot = 0.41292489062373 | epot = -15.2593226383575 | etot = -14.6175140350458
-834000  ekin = 0.21523908268204 |  erot = 0.399472764055511 | epot = -15.232225881708 | etot = -14.6175140349705
-835000  ekin = 0.19956978729475 |  erot = 0.38704544051902 | epot = -15.2041292627042 | etot = -14.6175140348904
-836000  ekin = 0.182413100763752 |  erot = 0.376368114580287 | epot = -15.1762952501534 | etot = -14.6175140348094
-837000  ekin = 0.164407483062593 |  erot = 0.368075825930974 | epot = -15.149997343725 | etot = -14.6175140347314
-838000  ekin = 0.146268295773265 |  erot = 0.362677435797434 | epot = -15.1264597662307 | etot = -14.61751403466
-839000  ekin = 0.128757768426159 |  erot = 0.360527421580297 | epot = -15.1067992246053 | etot = -14.6175140345988
-840000  ekin = 0.112649960717713 |  erot = 0.361806618656372 | epot = -15.0919706139248 | etot = -14.6175140345507
-841000  ekin = 0.0986919456674347 |  erot = 0.366512603929372 | epot = -15.0827185841153 | etot = -14.6175140345185
-842000  ekin = 0.0875630029231966 |  erot = 0.374460003556287 | epot = -15.0795370409836 | etot = -14.6175140345041
-843000  ekin = 0.0798341847684494 |  erot = 0.385290606533481 | epot = -15.0826388258105 | etot = -14.6175140345086
-844000  ekin = 0.0759310929906315 |  erot = 0.3984927697305 | epot = -15.0919378972533 | etot = -14.6175140345322
-845000  ekin = 0.0761029610203411 |  erot = 0.413429207169668 | epot = -15.1070462027641 | etot = -14.6175140345741
-846000  ekin = 0.0804010613291213 |  erot = 0.429371869323703 | epot = -15.1272869652854 | etot = -14.6175140346325
-847000  ekin = 0.0886689809242991 |  erot = 0.44554224199926 | epot = -15.151725257628 | etot = -14.6175140347044
-848000  ekin = 0.100546421460098 |  erot = 0.461155038712865 | epot = -15.1792154949586 | etot = -14.6175140347856
-849000  ekin = 0.11548696001125 |  erot = 0.4754629453529 | epot = -15.2084639402357 | etot = -14.6175140348715
-850000  ekin = 0.132788806696176 |  erot = 0.487799837753922 | epot = -15.2381026794072 | etot = -14.6175140349571
-851000  ekin = 0.151636227786878 |  erot = 0.497619785577613 | epot = -15.2667700484016 | etot = -14.6175140350371
-852000  ekin = 0.171148194576695 |  erot = 0.50452924262839 | epot = -15.2931914723117 | etot = -14.6175140351066
-853000  ekin = 0.190430159396249 |  erot = 0.50831015746194 | epot = -15.3162543520199 | etot = -14.6175140351617
-854000  ekin = 0.208624756900102 |  erot = 0.508932337651427 | epot = -15.3350711297508 | etot = -14.6175140351993
-855000  ekin = 0.224957674812677 |  erot = 0.506554231539623 | epot = -15.3490259415701 | etot = -14.6175140352178
-856000  ekin = 0.238775816539417 |  erot = 0.501512259960098 | epot = -15.3578021117162 | etot = -14.6175140352166
-857000  ekin = 0.249575992234296 |  erot = 0.494299801981519 | epot = -15.3613898294125 | etot = -14.6175140351967
-858000  ekin = 0.25702350207401 |  erot = 0.485537766821524 | epot = -15.3600753040553 | etot = -14.6175140351598
-859000  ekin = 0.260960921285819 |  erot = 0.475939247615288 | epot = -15.3544142040096 | etot = -14.6175140351085
-860000  ekin = 0.261408037072455 |  erot = 0.466270984603919 | epot = -15.3451930567221 | etot = -14.6175140350458
-861000  ekin = 0.258554187538387 |  erot = 0.457314264402285 | epot = -15.3333824869156 | etot = -14.6175140349749
-862000  ekin = 0.252744258033177 |  erot = 0.449827506885211 | epot = -15.3200857998177 | etot = -14.6175140348993
-863000  ekin = 0.24445941779672 |  erot = 0.444512141833 | epot = -15.3064855944522 | etot = -14.6175140348224
-864000  ekin = 0.234293368840396 |  erot = 0.441983030938497 | epot = -15.2937904345264 | etot = -14.6175140347475
-865000  ekin = 0.222924696624307 |  erot = 0.442744308393614 | epot = -15.2831830396955 | etot = -14.6175140346775
-866000  ekin = 0.211086026109529 |  erot = 0.447169652379615 | epot = -15.2757697131049 | etot = -14.6175140346158
-867000  ekin = 0.199530465893234 |  erot = 0.455487658922665 | epot = -15.2725321593806 | etot = -14.6175140345647
-868000  ekin = 0.188996288427726 |  erot = 0.467771811642194 | epot = -15.274282134597 | etot = -14.6175140345271
-869000  ekin = 0.180171161859857 |  erot = 0.483934855625369 | epot = -15.2816200519904 | etot = -14.6175140345052
-870000  ekin = 0.173657413869096 |  erot = 0.503727420428206 | epot = -15.2948988687979 | etot = -14.6175140345006
-871000  ekin = 0.169940429082833 |  erot = 0.526741193130623 | epot = -15.3141956567281 | etot = -14.6175140345146
-872000  ekin = 0.169362274179232 |  erot = 0.552417088944611 | epot = -15.3392933976713 | etot = -14.6175140345475
-873000  ekin = 0.172102391202427 |  erot = 0.580058846013093 | epot = -15.3696752718142 | etot = -14.6175140345987
-874000  ekin = 0.178167002902688 |  erot = 0.608852557306719 | epot = -15.404533594876 | etot = -14.6175140346666
-875000  ekin = 0.187388233891592 |  erot = 0.637892396629009 | epot = -15.4427946652693 | etot = -14.6175140347487
-876000  ekin = 0.199433181368184 |  erot = 0.666212376944545 | epot = -15.4831595931543 | etot = -14.6175140348416
-877000  ekin = 0.213822249051427 |  erot = 0.692823325237341 | epot = -15.5241596092295 | etot = -14.6175140349408
-878000  ekin = 0.229955728386756 |  erot = 0.716754212644264 | epot = -15.5642239760726 | etot = -14.6175140350416
-879000  ekin = 0.24714610464567 |  erot = 0.737095186134359 | epot = -15.601755325919 | etot = -14.617514035139
-880000  ekin = 0.26465379700288 |  erot = 0.753040153405439 | epot = -15.6352079856366 | etot = -14.6175140352283
-881000  ekin = 0.281723784261826 |  erot = 0.763926241590759 | epot = -15.6631640611576 | etot = -14.617514035305
-882000  ekin = 0.297620641607206 |  erot = 0.769267373447322 | epot = -15.6844020504202 | etot = -14.6175140353657
-883000  ekin = 0.311659967166528 |  erot = 0.768779581882121 | epot = -15.6979535844563 | etot = -14.6175140354077
-884000  ekin = 0.323234773768187 |  erot = 0.762396270683934 | epot = -15.7031450798816 | etot = -14.6175140354295
-885000  ekin = 0.331836099625414 |  erot = 0.750272396067172 | epot = -15.6996225311231 | etot = -14.6175140354306
-886000  ekin = 0.33706775156411 |  erot = 0.732777385265372 | epot = -15.6873591722412 | etot = -14.6175140354117
-887000  ekin = 0.338655649766352 |  erot = 0.710477420749861 | epot = -15.6666471058904 | etot = -14.6175140353742
-888000  ekin = 0.336452632420901 |  erot = 0.6841084171557 | epot = -15.6380750848969 | etot = -14.6175140353203
-889000  ekin = 0.330439768515659 |  erot = 0.654541548239618 | epot = -15.6024953520081 | etot = -14.6175140352528
-890000  ekin = 0.320725208484789 |  erot = 0.622743520026649 | epot = -15.5609827636858 | etot = -14.6175140351743
-891000  ekin = 0.307541386208951 |  erot = 0.589733936087058 | epot = -15.5147893573841 | etot = -14.6175140350881
-892000  ekin = 0.291240998129697 |  erot = 0.556542080397536 | epot = -15.4652971135242 | etot = -14.6175140349969
-893000  ekin = 0.272291667891157 |  erot = 0.524165278720401 | epot = -15.4139709815154 | etot = -14.6175140349038
-894000  ekin = 0.251268620703245 |  erot = 0.493530718297354 | epot = -15.3623133738117 | etot = -14.6175140348111
-895000  ekin = 0.228844131843401 |  erot = 0.465462234286291 | epot = -15.3118204008511 | etot = -14.6175140347214
-896000  ekin = 0.205772103521686 |  erot = 0.440653137307012 | epot = -15.2639392754662 | etot = -14.6175140346375
-897000  ekin = 0.182866017802818 |  erot = 0.41964569375824 | epot = -15.2200257461228 | etot = -14.6175140345617
-898000  ekin = 0.160968870008375 |  erot = 0.402817425242945 | epot = -15.1813003297484 | etot = -14.6175140344971
-899000  ekin = 0.140914625128323 |  erot = 0.390374024163074 | epot = -15.1488026837378 | etot = -14.6175140344464
-900000  ekin = 0.123482269337613 |  erot = 0.382348451689397 | epot = -15.1233447554396 | etot = -14.6175140344126
-901000  ekin = 0.109345484385286 |  erot = 0.378605737554656 | epot = -15.1054652563382 | etot = -14.6175140343982
-902000  ekin = 0.0990229789071331 |  erot = 0.378853140166514 | epot = -15.0953901534789 | etot = -14.6175140344052
-903000  ekin = 0.0928360184568331 |  erot = 0.382655585826067 | epot = -15.0930056387171 | etot = -14.6175140344342
-904000  ekin = 0.090880112388556 |  erot = 0.389456554773916 | epot = -15.0978507016463 | etot = -14.6175140344839
-905000  ekin = 0.0930167096532645 |  erot = 0.398604648850404 | epot = -15.1091353930552 | etot = -14.6175140345515
-906000  ekin = 0.0988880708470082 |  erot = 0.409385812369539 | epot = -15.125787917849 | etot = -14.6175140346324
-907000  ekin = 0.107954659148151 |  erot = 0.421060528764331 | epot = -15.1465292226329 | etot = -14.6175140347204
-908000  ekin = 0.119550305155103 |  erot = 0.432904367174592 | epot = -15.1699687071382 | etot = -14.6175140348085
-909000  ekin = 0.132947118364974 |  erot = 0.444249232158161 | epot = -15.1947103854133 | etot = -14.6175140348901
-910000  ekin = 0.147420543333974 |  erot = 0.454521879656246 | epot = -15.2194564579498 | etot = -14.6175140349596
-911000  ekin = 0.1623055063097 |  erot = 0.463275978358893 | epot = -15.2430955196813 | etot = -14.6175140350127
-912000  ekin = 0.177037050913212 |  erot = 0.470214361754332 | epot = -15.2647654477151 | etot = -14.6175140350476
-913000  ekin = 0.191172462463397 |  erot = 0.475199092565833 | epot = -15.2838855900934 | etot = -14.6175140350642
-914000  ekin = 0.204395616840769 |  erot = 0.478248345047336 | epot = -15.3001579969523 | etot = -14.6175140350642
-915000  ekin = 0.216507238695221 |  erot = 0.479520616571487 | epot = -15.3135418903175 | etot = -14.6175140350508
-916000  ekin = 0.22740635239901 |  erot = 0.479288139235317 | epot = -15.3242085266619 | etot = -14.6175140350275
-917000  ekin = 0.237068358847904 |  erot = 0.47790239272228 | epot = -15.3324847865685 | etot = -14.6175140349984
-918000  ekin = 0.245524170398601 |  erot = 0.475755244751353 | epot = -15.3387934501169 | etot = -14.6175140349669
-919000  ekin = 0.252843202023208 |  erot = 0.473239468154888 | epot = -15.3435967051145 | etot = -14.6175140349364
-920000  ekin = 0.259121284814425 |  erot = 0.470712244289296 | epot = -15.3473475640128 | etot = -14.6175140349091
-921000  ekin = 0.264473144075726 |  erot = 0.468464808091583 | epot = -15.350451987054 | etot = -14.6175140348867
-922000  ekin = 0.269028180853159 |  erot = 0.466700668341345 | epot = -15.3532428840647 | etot = -14.6175140348702
-923000  ekin = 0.272927944744977 |  erot = 0.465523908451933 | epot = -15.3559658880565 | etot = -14.6175140348596
-924000  ekin = 0.27632379382835 |  erot = 0.464938026324847 | epot = -15.3587758550076 | etot = -14.6175140348544
-925000  ekin = 0.279373649322731 |  erot = 0.464854721381053 | epot = -15.3617424055578 | etot = -14.617514034854
-926000  ekin = 0.282237300897359 |  erot = 0.465111106681621 | epot = -15.364862442436 | etot = -14.6175140348571
-927000  ekin = 0.285070250341276 |  erot = 0.465493135294172 | epot = -15.3680774204977 | etot = -14.6175140348622
-928000  ekin = 0.288016501944431 |  erot = 0.465762600719218 | epot = -15.3712931375322 | etot = -14.6175140348686
-929000  ekin = 0.291201026098216 |  erot = 0.465684740680258 | epot = -15.3743998016531 | etot = -14.6175140348746
-930000  ekin = 0.294722459179011 |  erot = 0.46505426199062 | epot = -15.3772907560491 | etot = -14.6175140348795
-931000  ekin = 0.298646764015314 |  erot = 0.46371724845426 | epot = -15.379878047352 | etot = -14.6175140348824
-932000  ekin = 0.30300230463981 |  erot = 0.461587311534084 | epot = -15.3821036510569 | etot = -14.617514034883
-933000  ekin = 0.307776651095006 |  erot = 0.458654945592231 | epot = -15.3839456315686 | etot = -14.6175140348814
-934000  ekin = 0.312915338272225 |  erot = 0.454989722656003 | epot = -15.3854190958059 | etot = -14.6175140348777
-935000  ekin = 0.318322768321516 |  erot = 0.450735625551274 | epot = -15.3865724287453 | etot = -14.6175140348725
-936000  ekin = 0.323865441581208 |  erot = 0.446100385695376 | epot = -15.387479862143 | etot = -14.6175140348664
-937000  ekin = 0.329377658420725 |  erot = 0.441340069470882 | epot = -15.3882317627517 | etot = -14.6175140348601
-938000  ekin = 0.334669609401316 |  erot = 0.436740154638295 | epot = -15.3889237988937 | etot = -14.6175140348541
-939000  ekin = 0.339538182698404 |  erot = 0.432595723627046 | epot = -15.3896479411745 | etot = -14.617514034849
-940000  ekin = 0.343779460434926 |  erot = 0.429190561372464 | epot = -15.3904840566525 | etot = -14.6175140348451
-941000  ekin = 0.347202304173565 |  erot = 0.426777065358581 | epot = -15.3914934043749 | etot = -14.6175140348428
-942000  ekin = 0.349642062607354 |  erot = 0.425558062625005 | epot = -15.3927141600744 | etot = -14.617514034842
-943000  ekin = 0.350973206935252 |  erot = 0.425671371650571 | epot = -15.3941586134289 | etot = -14.617514034843
-944000  ekin = 0.351119786154226 |  erot = 0.427178062458784 | epot = -15.3958118834587 | etot = -14.6175140348457
-945000  ekin = 0.350062816508175 |  erot = 0.430055404932934 | epot = -15.397632256291 | etot = -14.6175140348498
-946000  ekin = 0.347844068536132 |  erot = 0.434195447788954 | epot = -15.3995535511804 | etot = -14.6175140348553
-947000  ekin = 0.344566017440973 |  erot = 0.439410327983287 | epot = -15.4014903802857 | etot = -14.6175140348614
-948000  ekin = 0.340388212506886 |  erot = 0.445444378275965 | epot = -15.4033466256503 | etot = -14.6175140348675
-949000  ekin = 0.335520427168089 |  erot = 0.451992965713356 | epot = -15.405027427754 | etot = -14.6175140348726
-950000  ekin = 0.330213181195942 |  erot = 0.458727107974317 | epot = -15.4064543240458 | etot = -14.6175140348755
-951000  ekin = 0.324745816556292 |  erot = 0.465321341195928 | epot = -15.4075811926278 | etot = -14.6175140348756
-952000  ekin = 0.319412679962154 |  erot = 0.471482169175981 | epot = -15.40840888401 | etot = -14.6175140348719
-953000  ekin = 0.314508037100295 |  erot = 0.476974139325829 | epot = -15.4089962112904 | etot = -14.6175140348643
-954000  ekin = 0.310309685024622 |  erot = 0.481639431416537 | epot = -15.4094631512943 | etot = -14.6175140348532
-955000  ekin = 0.307061947765635 |  erot = 0.485408201612612 | epot = -15.4099841842179 | etot = -14.6175140348396
-956000  ekin = 0.304958921289484 |  erot = 0.488297803840366 | epot = -15.4107707599553 | etot = -14.6175140348255
-957000  ekin = 0.304129209169354 |  erot = 0.490400499131608 | epot = -15.4120437431141 | etot = -14.6175140348131
-958000  ekin = 0.304623714620758 |  erot = 0.491860923620771 | epot = -15.4139986730463 | etot = -14.6175140348048
-959000  ekin = 0.306408207892448 |  erot = 0.492846142548464 | epot = -15.4167683852437 | etot = -14.6175140348028
-960000  ekin = 0.309362278814217 |  erot = 0.493512316197957 | epot = -15.4203886298212 | etot = -14.617514034809
-961000  ekin = 0.313285873785905 |  erot = 0.493972653387197 | epot = -15.4247725619971 | etot = -14.617514034824
-962000  ekin = 0.317913924785389 |  erot = 0.494271324762711 | epot = -15.4296992843955 | etot = -14.6175140348474
-963000  ekin = 0.322938673954078 |  erot = 0.494367337737335 | epot = -15.434820046569 | etot = -14.6175140348776
-964000  ekin = 0.328038281532033 |  erot = 0.494131108238473 | epot = -15.4396834246822 | etot = -14.6175140349117
-965000  ekin = 0.332909295684048 |  erot = 0.493354750676282 | epot = -15.4437780813066 | etot = -14.6175140349462
-966000  ekin = 0.337299689763782 |  erot = 0.491775167781756 | epot = -15.4465888925225 | etot = -14.6175140349769
-967000  ekin = 0.341038574327672 |  erot = 0.489107134739068 | epot = -15.4476597440666 | etot = -14.6175140349999
-968000  ekin = 0.344058508087241 |  erot = 0.485082040987962 | epot = -15.4466545840869 | etot = -14.6175140350117
-969000  ekin = 0.346406687227172 |  erot = 0.479487053291733 | epot = -15.4434077755292 | etot = -14.6175140350103
-970000  ekin = 0.348242259951303 |  erot = 0.472199376074833 | epot = -15.4379556710214 | etot = -14.6175140349953
-971000  ekin = 0.349818577908824 |  erot = 0.46321104020724 | epot = -15.4305436530838 | etot = -14.6175140349678
-972000  ekin = 0.351451221504542 |  erot = 0.452641107453832 | epot = -15.4216063638892 | etot = -14.6175140349308
-973000  ekin = 0.353474851841814 |  erot = 0.440734047140308 | epot = -15.4117229338706 | etot = -14.6175140348885
-974000  ekin = 0.356193968986615 |  erot = 0.427844962323066 | epot = -15.4015529661555 | etot = -14.6175140348458
-975000  ekin = 0.359834072252972 |  erot = 0.41441397102154 | epot = -15.391762078082 | etot = -14.6175140348075
-976000  ekin = 0.364500158164539 |  erot = 0.400933139115516 | epot = -15.3829473320579 | etot = -14.6175140347778
-977000  ekin = 0.370148756531585 |  erot = 0.387909813696897 | epot = -15.3755726049882 | etot = -14.6175140347597
-978000  ekin = 0.376577842832097 |  erot = 0.375830059083101 | epot = -15.3699219366698 | etot = -14.6175140347546
-979000  ekin = 0.383436289098875 |  erot = 0.365125297247076 | epot = -15.3660756211083 | etot = -14.6175140347623
-980000  ekin = 0.39025154222181 |  erot = 0.356144397460029 | epot = -15.3639099744636 | etot = -14.6175140347817
-981000  ekin = 0.396471539315466 |  erot = 0.34913254719872 | epot = -15.3631181213242 | etot = -14.61751403481
-982000  ekin = 0.401514997591316 |  erot = 0.344217435800717 | epot = -15.3632464682363 | etot = -14.6175140348443
-983000  ekin = 0.404823458769572 |  erot = 0.341402706417443 | epot = -15.3637402000685 | etot = -14.6175140348815
-984000  ekin = 0.405908866684762 |  erot = 0.340568324599231 | epot = -15.3639912262028 | etot = -14.6175140349188
-985000  ekin = 0.404391803059563 |  erot = 0.341477444722043 | epot = -15.3633832827353 | etot = -14.6175140349537
-986000  ekin = 0.400027422799949 |  erot = 0.343789434463128 | epot = -15.3613308922474 | etot = -14.6175140349843
-987000  ekin = 0.392718180743682 |  erot = 0.347078806740175 | epot = -15.357311022493 | etot = -14.6175140350092
-988000  ekin = 0.38251423921323 |  erot = 0.350859769148633 | epot = -15.3508880433891 | etot = -14.6175140350273
-989000  ekin = 0.36960372665301 |  erot = 0.354615837190772 | epot = -15.3417335988814 | etot = -14.6175140350376
-990000  ekin = 0.354295674460579 |  erot = 0.357833454089954 | epot = -15.3296431635899 | etot = -14.6175140350393
-991000  ekin = 0.336998529350858 |  erot = 0.360037895319985 | epot = -15.3145504597026 | etot = -14.6175140350317
-992000  ekin = 0.318196763890059 |  erot = 0.360829065192577 | epot = -15.2965398640969 | etot = -14.6175140350143
-993000  ekin = 0.298427479538372 |  erot = 0.359914303090989 | epot = -15.2758558176161 | etot = -14.6175140349867
-994000  ekin = 0.278258203579959 |  erot = 0.35713517096667 | epot = -15.2529074094957 | etot = -14.6175140349491
-995000  ekin = 0.25826647189504 |  erot = 0.352485480213687 | epot = -15.2282659870109 | etot = -14.6175140349021
-996000  ekin = 0.239021351636035 |  erot = 0.346118523028601 | epot = -15.2026539095118 | etot = -14.6175140348471
-997000  ekin = 0.221066818081189 |  erot = 0.33834249244324 | epot = -15.1769233453105 | etot = -14.6175140347861
-998000  ekin = 0.204906835818305 |  erot = 0.32960423350908 | epot = -15.1520251040489 | etot = -14.6175140347215
-999000  ekin = 0.190992053959206 |  erot = 0.320462575794709 | epot = -15.1289686644102 | etot = -14.6175140346563
-1000000  ekin = 0.179708146665582 |  erot = 0.311553394428723 | epot = -15.1087755756881 | etot = -14.6175140345938
- 1000000  0.013311715   -1.5443684  0.033490821   -1.4929067 -0.00013590491 
-Loop time of 20.562 on 4 procs for 1000000 steps with 10 atoms
-
-Performance: 42019.279 tau/day, 48633.425 timesteps/s
-99.5% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.64919    | 7.8156     | 14.197     | 201.2 | 38.01
-Bond    | 0.087187   | 0.29612    | 0.4961     |  30.3 |  1.44
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 1.7094     | 2.016      | 2.3707     |  16.8 |  9.80
-Output  | 1.6928e-05 | 2.0683e-05 | 2.2888e-05 |   0.0 |  0.00
-Modify  | 0.23071    | 0.97353    | 1.6748     |  60.0 |  4.73
-Other   |            | 9.461      |            |       | 46.01
-
-Nlocal:    2.5 ave 5 max 0 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-Nghost:    7.5 ave 10 max 5 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-Neighs:    18.5 ave 35 max 0 min
-Histogram: 1 0 1 0 0 0 0 0 1 1
-
-Total # of neighbors = 74
-Ave neighs/atom = 7.4
-Ave special neighs/atom = 3.6
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:20
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.1 b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.1
new file mode 100644
index 0000000000..2c09a4f99d
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.1
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 1
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex1
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  10 atoms
+  reading velocities ...
+  10 velocities
+  10 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  8 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  2 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+set atom * mass 3.1575
+  10 settings made for mass
+
+group all type 1 4
+10 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna2/fene
+bond_coeff * 2.0 0.25 0.7564
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
+pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
+pair_coeff * * oxdna2/dh      0.1 1.0 0.815
+
+# NVE ensemble
+fix 1 all nve/dot
+#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.6274
+  ghost atom cutoff = 2.6274
+  binsize = 1.3137, bins = 31 31 31
+  6 neighbor lists, perpetual/occasional/extra = 6 0 0
+  (1) pair oxdna2/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna2/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna2/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna2/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) pair oxdna2/dh, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 3.023 | 3.023 | 3.023 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.4712768  0.009525411   -1.4617514 -5.8922361e-05 
+1000  ekin = 0.00113086229080528 |  erot = 0.0043101016040658 | epot = -14.6229549982368 | etot = -14.617514034342
+2000  ekin = 0.0044853322434243 |  erot = 0.0171407706505008 | epot = -14.6391401372615 | etot = -14.6175140343675
+3000  ekin = 0.00995035259649284 |  erot = 0.0381961780846485 | epot = -14.6656605650904 | etot = -14.6175140344093
+4000  ekin = 0.0173418024862054 |  erot = 0.0669935184860634 | epot = -14.7018493554381 | etot = -14.6175140344659
+5000  ekin = 0.0264109356286075 |  erot = 0.102878288094517 | epot = -14.7468032582586 | etot = -14.6175140345355
+6000  ekin = 0.0368533113591442 |  erot = 0.14504542056987 | epot = -14.7994127665447 | etot = -14.6175140346157
+7000  ekin = 0.0483200640564843 |  erot = 0.19256586251551 | epot = -14.8583999612756 | etot = -14.6175140347036
+8000  ekin = 0.0604312317605998 |  erot = 0.24441787013151 | epot = -14.9223631366883 | etot = -14.6175140347962
+9000  ekin = 0.0727907119671751 |  erot = 0.299521949931843 | epot = -14.989826696789 | etot = -14.6175140348899
+10000  ekin = 0.0850022498875221 |  erot = 0.356777997217908 | epot = -15.0592942820869 | etot = -14.6175140349815
+   10000  0.006296463   -1.5144685 0.0085391004   -1.4974292 -0.00010794792 
+Loop time of 0.149406 on 1 procs for 10000 steps with 10 atoms
+
+Performance: 57828.835 tau/day, 66931.522 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.11971    | 0.11971    | 0.11971    |   0.0 | 80.12
+Bond    | 0.0051196  | 0.0051196  | 0.0051196  |   0.0 |  3.43
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0013614  | 0.0013614  | 0.0013614  |   0.0 |  0.91
+Output  | 5.0068e-06 | 5.0068e-06 | 5.0068e-06 |   0.0 |  0.00
+Modify  | 0.018941   | 0.018941   | 0.018941   |   0.0 | 12.68
+Other   |            | 0.004268   |            |       |  2.86
+
+Nlocal:    10 ave 10 max 10 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    45 ave 45 max 45 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 45
+Ave neighs/atom = 4.5
+Ave special neighs/atom = 3.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.4 b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.4
new file mode 100644
index 0000000000..a326248cdb
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex1/log.27Nov18.duplex1.g++.4
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 1
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex1
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  10 atoms
+  reading velocities ...
+  10 velocities
+  10 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  8 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  2 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+set atom * mass 3.1575
+  10 settings made for mass
+
+group all type 1 4
+10 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna2/fene
+bond_coeff * 2.0 0.25 0.7564
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
+pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
+pair_coeff * * oxdna2/dh      0.1 1.0 0.815
+
+# NVE ensemble
+fix 1 all nve/dot
+#fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.6274
+  ghost atom cutoff = 2.6274
+  binsize = 1.3137, bins = 31 31 31
+  6 neighbor lists, perpetual/occasional/extra = 6 0 0
+  (1) pair oxdna2/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna2/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna2/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna2/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) pair oxdna2/dh, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.652 | 7.834 | 8.016 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.4712768  0.009525411   -1.4617514 -5.8922361e-05 
+1000  ekin = 0.00113086229080478 |  erot = 0.00431010160406708 | epot = -14.6229549982368 | etot = -14.617514034342
+2000  ekin = 0.00448533224342286 |  erot = 0.0171407706505013 | epot = -14.6391401372615 | etot = -14.6175140343675
+3000  ekin = 0.0099503525964896 |  erot = 0.0381961780846438 | epot = -14.6656605650904 | etot = -14.6175140344093
+4000  ekin = 0.0173418024861991 |  erot = 0.0669935184860479 | epot = -14.7018493554381 | etot = -14.6175140344659
+5000  ekin = 0.0264109356285965 |  erot = 0.102878288094482 | epot = -14.7468032582586 | etot = -14.6175140345355
+6000  ekin = 0.0368533113591268 |  erot = 0.145045420569809 | epot = -14.7994127665446 | etot = -14.6175140346156
+7000  ekin = 0.0483200640564584 |  erot = 0.192565862515413 | epot = -14.8583999612755 | etot = -14.6175140347036
+8000  ekin = 0.0604312317605635 |  erot = 0.24441787013137 | epot = -14.9223631366881 | etot = -14.6175140347962
+9000  ekin = 0.072790711967127 |  erot = 0.299521949931654 | epot = -14.9898266967887 | etot = -14.6175140348899
+10000  ekin = 0.0850022498874609 |  erot = 0.356777997217666 | epot = -15.0592942820866 | etot = -14.6175140349815
+   10000  0.006296463   -1.5144685 0.0085391004   -1.4974292 -0.00010794792 
+Loop time of 0.14583 on 4 procs for 10000 steps with 10 atoms
+
+Performance: 59247.054 tau/day, 68572.979 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0034175  | 0.055587   | 0.10059    |  17.9 | 38.12
+Bond    | 0.00064635 | 0.002131   | 0.0035357  |   2.5 |  1.46
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.014538   | 0.014932   | 0.015271   |   0.2 | 10.24
+Output  | 5.7459e-05 | 5.7697e-05 | 5.7936e-05 |   0.0 |  0.04
+Modify  | 0.0012829  | 0.0063873  | 0.011321   |   5.2 |  4.38
+Other   |            | 0.06674    |            |       | 45.76
+
+Nlocal:    2.5 ave 5 max 0 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Nghost:    7.5 ave 10 max 5 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+Neighs:    18.5 ave 35 max 0 min
+Histogram: 1 0 1 0 0 0 0 0 1 1
+
+Total # of neighbors = 74
+Ave neighs/atom = 7.4
+Ave special neighs/atom = 3.6
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2 b/examples/USER/cgdna/examples/oxDNA2/duplex2/in.duplex2
similarity index 99%
rename from examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2
rename to examples/USER/cgdna/examples/oxDNA2/duplex2/in.duplex2
index 451fe62e3c..3d4393e09b 100644
--- a/examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex2/in.duplex2
@@ -73,6 +73,6 @@ fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${e
 #dump_modify out sort id
 #dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
 
-run 1000000
+run 10000
 
 #write_restart config.${number}.*
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1 b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
deleted file mode 100644
index 386fbd7579..0000000000
--- a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
+++ /dev/null
@@ -1,1167 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 2
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex2
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  16 atoms
-  reading velocities ...
-  16 velocities
-  16 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  13 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  4 = max # of 1-4 neighbors
-  6 = max # of special neighbors
-
-set atom * mass 3.1575
-  16 settings made for mass
-
-group all type 1 4
-16 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna2/fene
-bond_coeff * 2.0 0.25 0.7564
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
-pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
-pair_coeff * * oxdna2/dh      0.1 1.0 0.815
-
-# NVE ensemble
-#fix 1 all nve/dot
-fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.6274
-  ghost atom cutoff = 2.6274
-  binsize = 1.3137, bins = 31 31 31
-  6 neighbor lists, perpetual/occasional/extra = 6 0 0
-  (1) pair oxdna2/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna2/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna2/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna2/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) pair oxdna2/dh, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 3.025 | 3.025 | 3.025 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.5358787 0.0096742456   -1.5262045 -7.9568629e-05 
-1000  ekin = 1.54282272464468 |  erot = 1.71757897250772 | epot = -24.4403527731341 | etot = -21.1799510759817
-2000  ekin = 1.86109566690716 |  erot = 1.93804145796026 | epot = -24.3759816748265 | etot = -20.5768445499591
-3000  ekin = 2.68769182431188 |  erot = 2.14559269500086 | epot = -24.2916556822451 | etot = -19.4583711629324
-4000  ekin = 2.04710303757243 |  erot = 1.48774072590987 | epot = -24.190371461807 | etot = -20.6555276983247
-5000  ekin = 1.77654023802719 |  erot = 2.53418650522101 | epot = -24.1246365663843 | etot = -19.8139098231361
-6000  ekin = 3.12253137872527 |  erot = 2.04028266818831 | epot = -24.0491248750916 | etot = -18.8863108281781
-7000  ekin = 3.22418765752177 |  erot = 2.72037570174022 | epot = -23.9458569915548 | etot = -18.0012936322928
-8000  ekin = 2.83204202112963 |  erot = 2.67060276413776 | epot = -23.9211291529766 | etot = -18.4184843677092
-9000  ekin = 2.69585642754481 |  erot = 2.59559820250212 | epot = -23.8340823338302 | etot = -18.5426277037833
-10000  ekin = 2.66058119525512 |  erot = 1.95965933336077 | epot = -23.7132443170725 | etot = -19.0930037884567
-11000  ekin = 2.34346978235591 |  erot = 2.0608750207871 | epot = -23.5779637301072 | etot = -19.1736189269642
-12000  ekin = 2.71430148816282 |  erot = 2.08352509995717 | epot = -23.4639027443831 | etot = -18.6660761562631
-13000  ekin = 2.61978682102879 |  erot = 2.37135270083347 | epot = -23.3602247027812 | etot = -18.3690851809189
-14000  ekin = 3.07648218347461 |  erot = 2.513719767243 | epot = -23.2345584968309 | etot = -17.6443565461133
-15000  ekin = 2.98155804409324 |  erot = 1.87766202539412 | epot = -23.0833749664029 | etot = -18.2241548969156
-16000  ekin = 2.18215330648447 |  erot = 2.12621179836828 | epot = -22.9601160092383 | etot = -18.6517509043856
-17000  ekin = 1.85636180329758 |  erot = 2.31208745603367 | epot = -22.8022922969143 | etot = -18.633843037583
-18000  ekin = 2.26768559168017 |  erot = 1.2389450409061 | epot = -22.668242963885 | etot = -19.1616123312987
-19000  ekin = 2.41605854545852 |  erot = 2.44791952321404 | epot = -22.5387095337131 | etot = -17.6747314650405
-20000  ekin = 2.51175765558337 |  erot = 2.15047735899709 | epot = -22.3909493829452 | etot = -17.7287143683647
-21000  ekin = 2.9915110961596 |  erot = 2.41132105778464 | epot = -22.5047205397251 | etot = -17.1018883857809
-22000  ekin = 3.06067007914886 |  erot = 1.83986675392832 | epot = -22.6049739626141 | etot = -17.7044371295369
-23000  ekin = 2.66061083480474 |  erot = 2.22251362834379 | epot = -22.5979829967718 | etot = -17.7148585336233
-24000  ekin = 2.65745533322327 |  erot = 2.79344397300952 | epot = -22.5688422615674 | etot = -17.1179429553346
-25000  ekin = 2.30064465907917 |  erot = 2.20975367009042 | epot = -22.5633453862602 | etot = -18.0529470570906
-26000  ekin = 1.6282588103248 |  erot = 2.51914272742421 | epot = -22.6015006270016 | etot = -18.4540990892526
-27000  ekin = 1.76021840072103 |  erot = 3.70719293889859 | epot = -22.6409357152274 | etot = -17.1735243756077
-28000  ekin = 2.28064774169505 |  erot = 2.34192414128161 | epot = -22.7124772012735 | etot = -18.0899053182968
-29000  ekin = 2.05883865245349 |  erot = 1.85387249117169 | epot = -22.7242388348361 | etot = -18.811527691211
-30000  ekin = 2.41090888362676 |  erot = 1.86304539977924 | epot = -22.6876650006964 | etot = -18.4137107172904
-31000  ekin = 2.76955959719985 |  erot = 2.74117025737249 | epot = -22.6962463526981 | etot = -17.1855164981257
-32000  ekin = 2.08562644954365 |  erot = 2.81609166367558 | epot = -22.7309387973059 | etot = -17.8292206840867
-33000  ekin = 2.08306771838837 |  erot = 3.6412168312574 | epot = -22.671701882331 | etot = -16.9474173326852
-34000  ekin = 2.32648544880974 |  erot = 3.09480128654123 | epot = -22.5637155764017 | etot = -17.1424288410507
-35000  ekin = 2.32492461599899 |  erot = 2.02549181832456 | epot = -22.4811871522455 | etot = -18.1307707179219
-36000  ekin = 1.9160219633488 |  erot = 1.97655634076097 | epot = -22.3849871062612 | etot = -18.4924088021514
-37000  ekin = 1.57338784336504 |  erot = 2.62872199467344 | epot = -22.3528406869297 | etot = -18.1507308488912
-38000  ekin = 2.21547906806797 |  erot = 2.89630123965964 | epot = -22.3056616105138 | etot = -17.1938813027862
-39000  ekin = 2.55049061085212 |  erot = 2.46486573403212 | epot = -22.2602280028032 | etot = -17.244871657919
-40000  ekin = 2.25628181110086 |  erot = 1.87515483835113 | epot = -22.2878959489406 | etot = -18.1564592994886
-41000  ekin = 2.46478791133629 |  erot = 2.50742704532316 | epot = -22.3614598606398 | etot = -17.3892449039804
-42000  ekin = 2.69217693496336 |  erot = 2.04021031621289 | epot = -22.3505245167544 | etot = -17.6181372655782
-43000  ekin = 2.40211339309477 |  erot = 1.6668978842528 | epot = -22.353509525279 | etot = -18.2844982479314
-44000  ekin = 2.30891568897327 |  erot = 2.40213237626172 | epot = -22.3871831090405 | etot = -17.6761350438055
-45000  ekin = 1.83275065976638 |  erot = 2.26068140262528 | epot = -22.4994702091406 | etot = -18.406038146749
-46000  ekin = 1.97585087518641 |  erot = 3.0186371421683 | epot = -22.4902643909032 | etot = -17.4957763735485
-47000  ekin = 1.30702141485601 |  erot = 1.99592830992523 | epot = -22.4679405795691 | etot = -19.1649908547879
-48000  ekin = 2.58893650014613 |  erot = 1.90050780837457 | epot = -22.5072015009757 | etot = -18.017757192455
-49000  ekin = 2.30293607053961 |  erot = 2.71885537559561 | epot = -22.5026363414396 | etot = -17.4808448953044
-50000  ekin = 2.47053682632632 |  erot = 3.4216531112208 | epot = -22.415032340787 | etot = -16.5228424032399
-51000  ekin = 2.70972992123879 |  erot = 1.4301791663753 | epot = -22.3056750708571 | etot = -18.165765983243
-52000  ekin = 3.01390456844682 |  erot = 1.97787470370191 | epot = -22.2827481318966 | etot = -17.2909688597479
-53000  ekin = 2.43796472406694 |  erot = 4.25598325759163 | epot = -22.2611961774508 | etot = -15.5672481957922
-54000  ekin = 2.47286167616923 |  erot = 2.3677730007818 | epot = -22.243519577301 | etot = -17.40288490035
-55000  ekin = 2.25994505035907 |  erot = 1.91872181759988 | epot = -22.2996523252175 | etot = -18.1209854572585
-56000  ekin = 2.3461223108806 |  erot = 2.20461695689782 | epot = -22.370356062429 | etot = -17.8196167946505
-57000  ekin = 2.51587877543148 |  erot = 2.87451767129977 | epot = -22.4723343857415 | etot = -17.0819379390103
-58000  ekin = 2.49925674722554 |  erot = 2.80569508565646 | epot = -22.5303780310556 | etot = -17.2254261981736
-59000  ekin = 2.75080755995156 |  erot = 2.17181245800364 | epot = -22.5861118023788 | etot = -17.6634917844236
-60000  ekin = 3.2849676836621 |  erot = 1.98487748777051 | epot = -22.5789662701264 | etot = -17.3091210986938
-61000  ekin = 2.4147550327795 |  erot = 1.80972454908232 | epot = -22.5207352876114 | etot = -18.2962557057495
-62000  ekin = 2.82665653061546 |  erot = 1.68517769072779 | epot = -22.4078181490349 | etot = -17.8959839276917
-63000  ekin = 3.70002607874218 |  erot = 1.92704686824234 | epot = -22.2626867402007 | etot = -16.6356137932161
-64000  ekin = 3.61736288982706 |  erot = 3.03600982585025 | epot = -22.2659045523542 | etot = -15.6125318366769
-65000  ekin = 3.40363639902008 |  erot = 3.89044870099903 | epot = -22.2274777177663 | etot = -14.9333926177472
-66000  ekin = 2.94418257190202 |  erot = 2.45963190668857 | epot = -22.1363667635561 | etot = -16.7325522849655
-67000  ekin = 2.60477940218663 |  erot = 2.10479080523513 | epot = -22.038362895265 | etot = -17.3287926878432
-68000  ekin = 2.57158327795866 |  erot = 2.46431755410219 | epot = -22.0244560205645 | etot = -16.9885551885036
-69000  ekin = 2.43845102321476 |  erot = 2.85996177461682 | epot = -22.0620804569545 | etot = -16.7636676591229
-70000  ekin = 3.08348233524936 |  erot = 2.49640850205841 | epot = -22.1433186271748 | etot = -16.563427789867
-71000  ekin = 2.5576093427884 |  erot = 2.50957641127969 | epot = -22.2697187660694 | etot = -17.2025330120013
-72000  ekin = 1.7831483145096 |  erot = 2.52806261120156 | epot = -22.3815818044114 | etot = -18.0703708787002
-73000  ekin = 1.86053585113659 |  erot = 2.3350857968737 | epot = -22.4387359493251 | etot = -18.2431143013148
-74000  ekin = 3.14016175467449 |  erot = 2.13186507521504 | epot = -22.447062887188 | etot = -17.1750360572984
-75000  ekin = 2.60368665360454 |  erot = 2.18680067560206 | epot = -22.4438479629936 | etot = -17.653360633787
-76000  ekin = 1.9633244939079 |  erot = 1.96057322365503 | epot = -22.4704022140376 | etot = -18.5465044964747
-77000  ekin = 2.09841107775422 |  erot = 2.1471460143176 | epot = -22.4970899098551 | etot = -18.2515328177832
-78000  ekin = 2.49484391610508 |  erot = 2.50538853212234 | epot = -22.4472882748805 | etot = -17.4470558266531
-79000  ekin = 3.10058476014063 |  erot = 2.47637061915656 | epot = -22.3558276087081 | etot = -16.7788722294109
-80000  ekin = 2.52610159631253 |  erot = 1.89085194000216 | epot = -22.2951000287249 | etot = -17.8781464924102
-81000  ekin = 2.34286765202483 |  erot = 2.2376810918426 | epot = -22.2933034850974 | etot = -17.71275474123
-82000  ekin = 1.55517061572748 |  erot = 2.02195112736337 | epot = -22.2470532436032 | etot = -18.6699315005123
-83000  ekin = 2.27421747802727 |  erot = 3.34135950792192 | epot = -22.2406089881454 | etot = -16.6250320021963
-84000  ekin = 2.91603956429582 |  erot = 2.09861057599124 | epot = -22.2305865946953 | etot = -17.2159364544083
-85000  ekin = 3.17172070756641 |  erot = 2.91883241347319 | epot = -22.2381339647476 | etot = -16.147580843708
-86000  ekin = 3.48918734688943 |  erot = 2.79711547316344 | epot = -22.2890012778608 | etot = -16.0026984578079
-87000  ekin = 3.648834525211 |  erot = 2.30637362835037 | epot = -22.2817018896603 | etot = -16.3264937360989
-88000  ekin = 3.16156585935194 |  erot = 2.24503314085539 | epot = -22.2225172277202 | etot = -16.8159182275129
-89000  ekin = 3.32092350591891 |  erot = 1.79966969251215 | epot = -22.1549711261911 | etot = -17.03437792776
-90000  ekin = 2.41383485147934 |  erot = 2.22694238351369 | epot = -21.9352492588881 | etot = -17.294472023895
-91000  ekin = 1.87769980964557 |  erot = 2.50898156232204 | epot = -21.766796868726 | etot = -17.3801154967584
-92000  ekin = 2.06420930396832 |  erot = 2.23853979300919 | epot = -21.6902828653619 | etot = -17.3875337683844
-93000  ekin = 1.94960374605101 |  erot = 3.00245663654886 | epot = -21.6771969695753 | etot = -16.7251365869754
-94000  ekin = 2.07633340602167 |  erot = 3.38669471112637 | epot = -21.7794316475531 | etot = -16.3164035304051
-95000  ekin = 2.09307446139111 |  erot = 2.0811295310408 | epot = -21.9165143849258 | etot = -17.7423103924939
-96000  ekin = 2.66782345206074 |  erot = 1.87453507536254 | epot = -21.9748225431664 | etot = -17.4324640157432
-97000  ekin = 1.93962158410337 |  erot = 2.81228342262069 | epot = -22.0301811391172 | etot = -17.2782761323932
-98000  ekin = 1.98651083318125 |  erot = 2.05358325550364 | epot = -22.1050988415859 | etot = -18.065004752901
-99000  ekin = 2.50729461715162 |  erot = 3.55227490812968 | epot = -22.2148658268239 | etot = -16.1552963015426
-100000  ekin = 1.87954195221303 |  erot = 2.38994009743578 | epot = -22.3826768493088 | etot = -18.11319479966
-101000  ekin = 1.66917867676911 |  erot = 3.61296864361924 | epot = -22.4122779848186 | etot = -17.1301306644303
-102000  ekin = 1.63707836649616 |  erot = 3.33958463197985 | epot = -22.3664797586262 | etot = -17.3898167601502
-103000  ekin = 2.00216132457488 |  erot = 2.34409134088738 | epot = -22.338100531932 | etot = -17.9918478664698
-104000  ekin = 2.03704734920245 |  erot = 2.74903331701925 | epot = -22.3478074938274 | etot = -17.5617268276057
-105000  ekin = 1.85601249652044 |  erot = 2.00020228548217 | epot = -22.2937670136133 | etot = -18.4375522316107
-106000  ekin = 1.70582694215149 |  erot = 1.90992656339968 | epot = -22.3252996603125 | etot = -18.7095461547614
-107000  ekin = 2.61183521416777 |  erot = 1.56756438600251 | epot = -22.3815585845482 | etot = -18.2021589843779
-108000  ekin = 2.13345133147477 |  erot = 2.1967764492834 | epot = -22.2873637709221 | etot = -17.9571359901639
-109000  ekin = 2.23517703897427 |  erot = 2.12289589403282 | epot = -22.1519605830327 | etot = -17.7938876500256
-110000  ekin = 1.66340581480182 |  erot = 2.52573727214601 | epot = -22.1681066766204 | etot = -17.9789635896725
-111000  ekin = 2.28529122032929 |  erot = 2.24044883756493 | epot = -22.1711980210611 | etot = -17.6454579631669
-112000  ekin = 2.60405127944181 |  erot = 2.43646974545776 | epot = -22.1582164438795 | etot = -17.11769541898
-113000  ekin = 2.40208651796091 |  erot = 3.06270264515793 | epot = -22.1587051510952 | etot = -16.6939159879764
-114000  ekin = 2.34302229470158 |  erot = 2.30426477746864 | epot = -22.1439772736805 | etot = -17.4966902015103
-115000  ekin = 1.69616053999229 |  erot = 3.11049212247371 | epot = -22.1736739038021 | etot = -17.3670212413361
-116000  ekin = 1.51961045217859 |  erot = 2.22203808801726 | epot = -22.2355447345615 | etot = -18.4938961943657
-117000  ekin = 1.69355164638512 |  erot = 2.33913072714747 | epot = -22.2671845473364 | etot = -18.2345021738038
-118000  ekin = 2.1960991163694 |  erot = 2.33815079858085 | epot = -22.2453229868293 | etot = -17.7110730718791
-119000  ekin = 2.55982892523823 |  erot = 2.47378749563683 | epot = -22.2824155531543 | etot = -17.2487991322793
-120000  ekin = 1.76091001620491 |  erot = 2.1741296357231 | epot = -22.2369948282136 | etot = -18.3019551762855
-121000  ekin = 2.80671234452976 |  erot = 2.30128219469303 | epot = -22.2260257995407 | etot = -17.1180312603179
-122000  ekin = 3.23136903340218 |  erot = 3.30036165167127 | epot = -22.2515019863338 | etot = -15.7197713012603
-123000  ekin = 2.8561114897291 |  erot = 3.24294818442618 | epot = -22.2018342366988 | etot = -16.1027745625435
-124000  ekin = 2.14842162472016 |  erot = 2.7693802805091 | epot = -22.0303368839078 | etot = -17.1125349786785
-125000  ekin = 1.83317468651689 |  erot = 1.37271219749613 | epot = -21.8885764971633 | etot = -18.6826896131502
-126000  ekin = 2.45181092117661 |  erot = 3.08753876167365 | epot = -21.8912653158441 | etot = -16.3519156329938
-127000  ekin = 2.39800706812202 |  erot = 2.35255982488708 | epot = -21.8786845575463 | etot = -17.1281176645372
-128000  ekin = 2.72073389273301 |  erot = 1.81206134758344 | epot = -21.8246886433981 | etot = -17.2918934030816
-129000  ekin = 2.76648233159587 |  erot = 2.90133130407443 | epot = -21.9103698595755 | etot = -16.2425562239052
-130000  ekin = 3.26919771496399 |  erot = 2.56804213542044 | epot = -22.0468205769693 | etot = -16.2095807265849
-131000  ekin = 2.65797021501453 |  erot = 2.51912811588696 | epot = -22.1046945041584 | etot = -16.9275961732569
-132000  ekin = 2.60615175826329 |  erot = 3.39821871959342 | epot = -22.1393658191679 | etot = -16.1349953413112
-133000  ekin = 2.01702653257964 |  erot = 2.88164356754679 | epot = -22.1083395633022 | etot = -17.2096694631758
-134000  ekin = 1.62732528940444 |  erot = 1.66916296573806 | epot = -22.0617984863721 | etot = -18.7653102312296
-135000  ekin = 2.44472224525446 |  erot = 2.12100291286044 | epot = -22.0290071826116 | etot = -17.4632820244967
-136000  ekin = 2.29361895961086 |  erot = 3.04813516280966 | epot = -21.9240579822781 | etot = -16.5823038598575
-137000  ekin = 2.71943103843212 |  erot = 2.46250134466529 | epot = -21.759346222065 | etot = -16.5774138389676
-138000  ekin = 3.29026615453928 |  erot = 1.74005246857097 | epot = -21.7424803627639 | etot = -16.7121617396537
-139000  ekin = 2.76078280183931 |  erot = 1.72093988964439 | epot = -21.8915740702781 | etot = -17.4098513787944
-140000  ekin = 2.72717929836212 |  erot = 2.46093572161851 | epot = -21.9730696792527 | etot = -16.784954659272
-141000  ekin = 2.79178566984556 |  erot = 2.45152416051809 | epot = -21.9760531770405 | etot = -16.7327433466769
-142000  ekin = 3.51808959230238 |  erot = 3.47662361887462 | epot = -21.9144706671159 | etot = -14.9197574559389
-143000  ekin = 2.56674276565954 |  erot = 2.02320192154355 | epot = -21.887847774869 | etot = -17.2979030876659
-144000  ekin = 3.71876753045239 |  erot = 3.03518010984555 | epot = -21.8693810552709 | etot = -15.115433414973
-145000  ekin = 3.61067898932004 |  erot = 2.70461629179152 | epot = -21.7768865247848 | etot = -15.4615912436733
-146000  ekin = 3.85672431702576 |  erot = 2.48360222237068 | epot = -21.7383083831155 | etot = -15.3979818437191
-147000  ekin = 3.26264642879795 |  erot = 2.07790943830875 | epot = -21.612808589745 | etot = -16.2722527226383
-148000  ekin = 2.49411629896921 |  erot = 1.64570933977901 | epot = -21.3601881264357 | etot = -17.2203624876875
-149000  ekin = 2.73353556199719 |  erot = 2.27529903215971 | epot = -21.180923940444 | etot = -16.1720893462871
-150000  ekin = 2.6282457385967 |  erot = 2.90058901460194 | epot = -21.0864924194498 | etot = -15.5576576662512
-151000  ekin = 2.07954165316093 |  erot = 2.1164125590575 | epot = -20.9951076802445 | etot = -16.7991534680261
-152000  ekin = 2.41868973763601 |  erot = 2.60413735099777 | epot = -20.8520585412647 | etot = -15.8292314526309
-153000  ekin = 2.12569822788918 |  erot = 2.25674944787518 | epot = -20.8874716791535 | etot = -16.5050240033891
-154000  ekin = 2.34486280100484 |  erot = 2.61050919353092 | epot = -20.9924730886396 | etot = -16.0371010941038
-155000  ekin = 2.06912274657395 |  erot = 3.0299583491991 | epot = -21.0207700832301 | etot = -15.921688987457
-156000  ekin = 2.03235057930374 |  erot = 3.18386486882217 | epot = -20.8574059636368 | etot = -15.6411905155109
-157000  ekin = 2.3579061324469 |  erot = 1.91132393217369 | epot = -20.8256173876826 | etot = -16.556387323062
-158000  ekin = 2.17332819176356 |  erot = 2.47832446500284 | epot = -20.9206749462161 | etot = -16.2690222894497
-159000  ekin = 2.87139796431922 |  erot = 2.29125458595932 | epot = -21.0425793637301 | etot = -15.8799268134516
-160000  ekin = 2.19495281512895 |  erot = 2.37206762182712 | epot = -21.12868212155 | etot = -16.5616616845939
-161000  ekin = 2.13209841436583 |  erot = 2.44149028746738 | epot = -21.2267263358883 | etot = -16.6531376340551
-162000  ekin = 1.75046056470489 |  erot = 2.66847316377717 | epot = -21.2792984888785 | etot = -16.8603647603965
-163000  ekin = 2.22203312194875 |  erot = 2.03600602857084 | epot = -21.4244626156303 | etot = -17.1664234651107
-164000  ekin = 2.74926161019501 |  erot = 1.42936965542836 | epot = -21.5631783920293 | etot = -17.384547126406
-165000  ekin = 2.66465183950737 |  erot = 2.28908630196103 | epot = -21.572272285795 | etot = -16.6185341443266
-166000  ekin = 3.29267065001881 |  erot = 2.38564084157004 | epot = -21.5039232020267 | etot = -15.8256117104378
-167000  ekin = 3.03664818915841 |  erot = 2.03669674074452 | epot = -21.5747204885882 | etot = -16.5013755586853
-168000  ekin = 3.16556842965113 |  erot = 1.85206282714724 | epot = -21.6223493129218 | etot = -16.6047180561234
-169000  ekin = 2.24511985727904 |  erot = 2.66889068764969 | epot = -21.5368970033532 | etot = -16.6228864584245
-170000  ekin = 2.43734116474603 |  erot = 2.49716986363814 | epot = -21.3912465276853 | etot = -16.4567354993011
-171000  ekin = 1.90620260936893 |  erot = 2.39687883544744 | epot = -21.3008997539566 | etot = -16.9978183091402
-172000  ekin = 2.87444998880216 |  erot = 3.21713663160875 | epot = -21.2616188758685 | etot = -15.1700322554576
-173000  ekin = 2.74942738368889 |  erot = 2.14120450530294 | epot = -21.2850360200821 | etot = -16.3944041310903
-174000  ekin = 2.4529377396394 |  erot = 2.23261644076142 | epot = -21.3299047479428 | etot = -16.644350567542
-175000  ekin = 2.84864650053625 |  erot = 2.37733794803682 | epot = -21.2943230039461 | etot = -16.068338555373
-176000  ekin = 2.13647755199109 |  erot = 1.89602819204849 | epot = -21.3605335602015 | etot = -17.3280278161619
-177000  ekin = 2.57740970525463 |  erot = 2.74252419383388 | epot = -21.3306809364134 | etot = -16.0107470373249
-178000  ekin = 1.83680522170069 |  erot = 2.5856914127028 | epot = -21.2632846497336 | etot = -16.8407880153301
-179000  ekin = 2.51484018139121 |  erot = 2.38459479892641 | epot = -21.325303559771 | etot = -16.4258685794534
-180000  ekin = 1.88523508330591 |  erot = 2.46381998482447 | epot = -21.4811020579528 | etot = -17.1320469898224
-181000  ekin = 1.75689043588625 |  erot = 3.04324017089631 | epot = -21.474228259015 | etot = -16.6740976522324
-182000  ekin = 1.56534231241504 |  erot = 2.04864866727399 | epot = -21.4129540971941 | etot = -17.798963117505
-183000  ekin = 2.00287899563344 |  erot = 2.82515065812734 | epot = -21.49258719815 | etot = -16.6645575443892
-184000  ekin = 2.68544625765532 |  erot = 2.43626281495748 | epot = -21.6103862218356 | etot = -16.4886771492228
-185000  ekin = 2.99891111533195 |  erot = 3.19602779235331 | epot = -21.6822175762628 | etot = -15.4872786685775
-186000  ekin = 3.18195376963592 |  erot = 2.43765957688182 | epot = -21.7117512273523 | etot = -16.0921378808346
-187000  ekin = 2.64722090162018 |  erot = 3.43145857630564 | epot = -21.6694156065006 | etot = -15.5907361285748
-188000  ekin = 2.8593721905413 |  erot = 3.05764002667605 | epot = -21.6129263142805 | etot = -15.6959140970631
-189000  ekin = 2.64258352431382 |  erot = 1.81957536948003 | epot = -21.5503774009301 | etot = -17.0882185071363
-190000  ekin = 2.2190608435254 |  erot = 1.84740673329965 | epot = -21.5105703637082 | etot = -17.4441027868831
-191000  ekin = 2.27442549063464 |  erot = 2.06581774328105 | epot = -21.4485511972947 | etot = -17.108307963379
-192000  ekin = 2.27419285809427 |  erot = 3.10822480468651 | epot = -21.4844439428341 | etot = -16.1020262800533
-193000  ekin = 1.95256612457884 |  erot = 1.88944690058107 | epot = -21.4719648319093 | etot = -17.6299518067494
-194000  ekin = 2.46290863552507 |  erot = 2.02714246570739 | epot = -21.3483686370757 | etot = -16.8583175358433
-195000  ekin = 3.12615833704228 |  erot = 2.09882827884293 | epot = -21.2854694780647 | etot = -16.0604828621794
-196000  ekin = 2.70126861243405 |  erot = 2.51307250710585 | epot = -21.2052184052664 | etot = -15.9908772857265
-197000  ekin = 2.55113347479427 |  erot = 2.07490331769114 | epot = -21.0379488001649 | etot = -16.4119120076795
-198000  ekin = 2.7091171175815 |  erot = 1.79542986755821 | epot = -21.0311079948236 | etot = -16.5265610096839
-199000  ekin = 2.57086088527333 |  erot = 2.33194065149168 | epot = -21.0448935828999 | etot = -16.1420920461349
-200000  ekin = 2.89149033048946 |  erot = 1.42165157230865 | epot = -21.03770919399 | etot = -16.7245672911919
-201000  ekin = 2.68304721320748 |  erot = 1.55647352804279 | epot = -21.0368254418007 | etot = -16.7973047005504
-202000  ekin = 2.2656487707054 |  erot = 2.24246330836477 | epot = -20.9783437689148 | etot = -16.4702316898446
-203000  ekin = 2.11263799464235 |  erot = 2.0311722239375 | epot = -20.9045528293636 | etot = -16.7607426107837
-204000  ekin = 2.10289033168206 |  erot = 1.89431766090034 | epot = -20.917707897003 | etot = -16.9204999044206
-205000  ekin = 1.32594040742044 |  erot = 2.12787440210413 | epot = -20.9650467335179 | etot = -17.5112319239933
-206000  ekin = 1.37942510627947 |  erot = 2.255876437166 | epot = -20.9344799697865 | etot = -17.299178426341
-207000  ekin = 1.89707208497052 |  erot = 1.80792832329628 | epot = -21.0372131039119 | etot = -17.3322126956451
-208000  ekin = 1.82394216235567 |  erot = 3.24636401083921 | epot = -21.2905133091558 | etot = -16.2202071359609
-209000  ekin = 2.80235035495642 |  erot = 2.34817422826193 | epot = -21.4119988544966 | etot = -16.2614742712782
-210000  ekin = 3.17268831077415 |  erot = 3.11920168004874 | epot = -21.4880486169942 | etot = -15.1961586261713
-211000  ekin = 2.46911290485391 |  erot = 2.09583435351186 | epot = -21.6131156278285 | etot = -17.0481683694628
-212000  ekin = 2.36983963899524 |  erot = 1.93490727968814 | epot = -21.6916906588951 | etot = -17.3869437402117
-213000  ekin = 1.90089387455099 |  erot = 2.5187405361218 | epot = -21.7688631446424 | etot = -17.3492287339696
-214000  ekin = 1.97453946438608 |  erot = 2.49804990679736 | epot = -21.7968032544022 | etot = -17.3242138832188
-215000  ekin = 1.97170537707849 |  erot = 3.1720109210939 | epot = -21.7980499435109 | etot = -16.6543336453385
-216000  ekin = 1.89064429395263 |  erot = 1.88113651267029 | epot = -21.7625464985643 | etot = -17.9907656919414
-217000  ekin = 2.0626433286583 |  erot = 1.95286476791462 | epot = -21.8181895344454 | etot = -17.8026814378725
-218000  ekin = 2.31967181974704 |  erot = 1.6896622434335 | epot = -21.7699992955268 | etot = -17.7606652323462
-219000  ekin = 2.46739391618502 |  erot = 2.20775453602831 | epot = -21.776978875084 | etot = -17.1018304228706
-220000  ekin = 1.73785505731585 |  erot = 3.0372433480804 | epot = -21.7321393101048 | etot = -16.9570409047086
-221000  ekin = 1.778697043089 |  erot = 2.7846909329313 | epot = -21.7425830987872 | etot = -17.1791951227669
-222000  ekin = 2.62634865011186 |  erot = 2.86077326472522 | epot = -21.7007933593054 | etot = -16.2136714444683
-223000  ekin = 3.04431297723215 |  erot = 1.94008328047868 | epot = -21.7188465939138 | etot = -16.734450336203
-224000  ekin = 2.71939424183677 |  erot = 2.42480251627533 | epot = -21.6866518782312 | etot = -16.5424551201191
-225000  ekin = 2.02593449761365 |  erot = 3.37613250979673 | epot = -21.6919775986917 | etot = -16.2899105912813
-226000  ekin = 2.36496088602628 |  erot = 2.39060577783945 | epot = -21.7612411053054 | etot = -17.0056744414397
-227000  ekin = 2.73527371921374 |  erot = 2.63040468048003 | epot = -21.8235720454426 | etot = -16.4578936457488
-228000  ekin = 2.09009153610323 |  erot = 2.26861924367323 | epot = -21.8859446312141 | etot = -17.5272338514377
-229000  ekin = 1.80131280326501 |  erot = 1.7963110804324 | epot = -21.9677974652423 | etot = -18.3701735815449
-230000  ekin = 2.77436270232913 |  erot = 2.22792046726092 | epot = -21.9902739646399 | etot = -16.9879907950498
-231000  ekin = 3.15789416871844 |  erot = 2.77494856675301 | epot = -21.9771750398138 | etot = -16.0443323043424
-232000  ekin = 1.86920525086143 |  erot = 1.70617009970185 | epot = -22.0127465263534 | etot = -18.4373711757901
-233000  ekin = 1.75915660001321 |  erot = 1.56505378532405 | epot = -21.9936912811375 | etot = -18.6694808958002
-234000  ekin = 2.33631680564953 |  erot = 2.05523369254154 | epot = -21.9151391633044 | etot = -17.5235886651133
-235000  ekin = 1.95729755108493 |  erot = 2.52297007842176 | epot = -21.8622583087295 | etot = -17.3819906792228
-236000  ekin = 2.26174488772854 |  erot = 1.90926942275389 | epot = -21.8776848863915 | etot = -17.7066705759091
-237000  ekin = 2.48859859508474 |  erot = 2.6489237604941 | epot = -21.9479801146397 | etot = -16.8104577590608
-238000  ekin = 2.21074117955686 |  erot = 2.74245988956904 | epot = -22.0027094279364 | etot = -17.0495083588105
-239000  ekin = 2.72897236706913 |  erot = 2.49153579775713 | epot = -22.0211522435864 | etot = -16.8006440787602
-240000  ekin = 3.10410575629688 |  erot = 2.19185039149975 | epot = -21.9285399490843 | etot = -16.6325838012877
-241000  ekin = 3.04659381738443 |  erot = 2.65407823399251 | epot = -21.8553999209703 | etot = -16.1547278695933
-242000  ekin = 2.22634814860329 |  erot = 2.33710119371497 | epot = -21.778295180705 | etot = -17.2148458383868
-243000  ekin = 1.53739989500925 |  erot = 2.804422651144 | epot = -21.7210994015014 | etot = -17.3792768553481
-244000  ekin = 1.91594160283678 |  erot = 2.43897673315061 | epot = -21.6239948430905 | etot = -17.2690765071031
-245000  ekin = 1.9573212108497 |  erot = 2.60792757585164 | epot = -21.4969890421964 | etot = -16.931740255495
-246000  ekin = 2.07155268659352 |  erot = 2.40712847472271 | epot = -21.4555802858827 | etot = -16.9768991245664
-247000  ekin = 1.55687592357629 |  erot = 2.27937051296287 | epot = -21.415801560854 | etot = -17.5795551243148
-248000  ekin = 1.83815644169539 |  erot = 2.56757546633135 | epot = -21.4396063392852 | etot = -17.0338744312585
-249000  ekin = 1.79880701831597 |  erot = 2.0439839568354 | epot = -21.5116552123395 | etot = -17.6688642371882
-250000  ekin = 1.6819474109243 |  erot = 3.39458382990459 | epot = -21.5432862054069 | etot = -16.466754964578
-251000  ekin = 2.13148829031636 |  erot = 3.25959517865089 | epot = -21.5335137503413 | etot = -16.142430281374
-252000  ekin = 2.05395839402013 |  erot = 2.53819950912971 | epot = -21.5603119938518 | etot = -16.9681540907019
-253000  ekin = 1.65837982841157 |  erot = 3.21084156386521 | epot = -21.5856483774528 | etot = -16.716426985176
-254000  ekin = 2.32607189562296 |  erot = 3.10904441141191 | epot = -21.5835562113995 | etot = -16.1484399043647
-255000  ekin = 2.50516183463011 |  erot = 2.76806754476897 | epot = -21.5622650070292 | etot = -16.2890356276301
-256000  ekin = 1.97348594928106 |  erot = 2.62554900973971 | epot = -21.5549569513865 | etot = -16.9559219923657
-257000  ekin = 2.23010268129159 |  erot = 3.26394503338319 | epot = -21.5756937773404 | etot = -16.0816460626656
-258000  ekin = 2.0447966409083 |  erot = 1.84671550533958 | epot = -21.6926265414806 | etot = -17.8011143952327
-259000  ekin = 2.87403716266236 |  erot = 2.7890686554313 | epot = -21.799948240906 | etot = -16.1368424228124
-260000  ekin = 2.90780294403218 |  erot = 2.19263097772001 | epot = -21.8560884935551 | etot = -16.7556545718029
-261000  ekin = 2.76828016335186 |  erot = 2.34066383431491 | epot = -21.904753347489 | etot = -16.7958093498223
-262000  ekin = 3.52268021990509 |  erot = 1.77075610541266 | epot = -21.923252751046 | etot = -16.6298164257282
-263000  ekin = 3.08420493567484 |  erot = 2.42539400967894 | epot = -21.8573813915989 | etot = -16.3477824462451
-264000  ekin = 2.24745015945595 |  erot = 2.03541588430139 | epot = -21.8692313889178 | etot = -17.5863653451605
-265000  ekin = 1.92522220276231 |  erot = 2.5003676829468 | epot = -21.7418152763709 | etot = -17.3162253906618
-266000  ekin = 2.39641107663208 |  erot = 3.25288398956727 | epot = -21.6961161037834 | etot = -16.046821037584
-267000  ekin = 1.71111784450077 |  erot = 2.23671058890166 | epot = -21.6618183077995 | etot = -17.7139898743971
-268000  ekin = 2.10089423119538 |  erot = 3.22434301936133 | epot = -21.6199098144813 | etot = -16.2946725639246
-269000  ekin = 1.9625053447265 |  erot = 2.78709438989466 | epot = -21.512378343547 | etot = -16.7627786089258
-270000  ekin = 2.11347862898579 |  erot = 2.66955708081142 | epot = -21.4131997021519 | etot = -16.6301639923547
-271000  ekin = 2.18755627878071 |  erot = 3.10635949745237 | epot = -21.231195119641 | etot = -15.9372793434079
-272000  ekin = 2.53142755489725 |  erot = 2.28018838604503 | epot = -21.0716416692008 | etot = -16.2600257282585
-273000  ekin = 1.9364743445402 |  erot = 1.99261296885892 | epot = -21.007557675667 | etot = -17.0784703622679
-274000  ekin = 1.91013630831847 |  erot = 2.2120127665723 | epot = -21.0477834541013 | etot = -16.9256343792105
-275000  ekin = 1.79273258693701 |  erot = 3.10050032804429 | epot = -21.0858519409205 | etot = -16.1926190259392
-276000  ekin = 3.35719138398128 |  erot = 2.41111345420191 | epot = -21.0304226706007 | etot = -15.2621178324176
-277000  ekin = 2.41774397151369 |  erot = 1.50719443697989 | epot = -20.9759671563228 | etot = -17.0510287478292
-278000  ekin = 2.53951758510302 |  erot = 2.14756601555722 | epot = -20.9653070148297 | etot = -16.2782234141694
-279000  ekin = 1.90856122527452 |  erot = 2.38982437581387 | epot = -20.9745429336076 | etot = -16.6761573325192
-280000  ekin = 2.37131544290542 |  erot = 3.59489996493466 | epot = -20.85613421052 | etot = -14.8899188026799
-281000  ekin = 1.76889591811704 |  erot = 1.7951894912658 | epot = -20.9289254822807 | etot = -17.3648400728979
-282000  ekin = 2.27070827347114 |  erot = 3.05009551199377 | epot = -20.8916515658568 | etot = -15.5708477803919
-283000  ekin = 2.18685960365006 |  erot = 2.20812220616949 | epot = -20.8474969045899 | etot = -16.4525150947704
-284000  ekin = 1.91940159973892 |  erot = 2.20890146173499 | epot = -20.8751887573221 | etot = -16.7468856958482
-285000  ekin = 3.15509933694634 |  erot = 1.80738796351619 | epot = -21.0554892608396 | etot = -16.0930019603771
-286000  ekin = 3.87415003559708 |  erot = 1.83530883692693 | epot = -21.2366462656484 | etot = -15.5271873931244
-287000  ekin = 3.65191681280166 |  erot = 2.913547855761 | epot = -21.3085830740657 | etot = -14.7431184055031
-288000  ekin = 3.25566521528532 |  erot = 1.61409275051713 | epot = -21.3016538192157 | etot = -16.4318958534132
-289000  ekin = 2.57277357969492 |  erot = 2.7865509468974 | epot = -21.2753452951968 | etot = -15.9160207686044
-290000  ekin = 2.70842209282674 |  erot = 2.41918512811132 | epot = -21.2877903800065 | etot = -16.1601831590685
-291000  ekin = 2.06014704473036 |  erot = 2.36104758138505 | epot = -21.2845199368975 | etot = -16.8633253107821
-292000  ekin = 2.28556270655109 |  erot = 2.04929815389926 | epot = -21.3435089189608 | etot = -17.0086480585104
-293000  ekin = 2.24999256733429 |  erot = 2.35234276421049 | epot = -21.4532864362272 | etot = -16.8509511046824
-294000  ekin = 2.93128079968628 |  erot = 2.88901294012339 | epot = -21.5344832077337 | etot = -15.7141894679241
-295000  ekin = 2.66786158124138 |  erot = 2.29144551421467 | epot = -21.6972562684637 | etot = -16.7379491730076
-296000  ekin = 2.20703931624838 |  erot = 2.91798090137806 | epot = -21.7499994740518 | etot = -16.6249792564254
-297000  ekin = 2.17711857895463 |  erot = 3.3139407196584 | epot = -21.7438418246471 | etot = -16.2527825260341
-298000  ekin = 2.91263821701566 |  erot = 2.35687557807243 | epot = -21.7003108484957 | etot = -16.4307970534076
-299000  ekin = 3.16765240032233 |  erot = 2.23927360570976 | epot = -21.8111744518828 | etot = -16.4042484458507
-300000  ekin = 3.29571242152463 |  erot = 1.38932168050636 | epot = -21.8854995787115 | etot = -17.2004654766805
-301000  ekin = 2.38336849338668 |  erot = 3.30873138065989 | epot = -21.9040100279112 | etot = -16.2119101538647
-302000  ekin = 2.92546415072637 |  erot = 3.247691767578 | epot = -21.8700812142841 | etot = -15.6969252959798
-303000  ekin = 2.4103373416559 |  erot = 2.62018947425678 | epot = -21.8591741279587 | etot = -16.828647312046
-304000  ekin = 2.22974120288231 |  erot = 2.69525972032883 | epot = -21.7977946057185 | etot = -16.8727936825074
-305000  ekin = 2.37900884029014 |  erot = 2.39016080950149 | epot = -21.7722637572341 | etot = -17.0030941074424
-306000  ekin = 1.9446171443063 |  erot = 2.89927908625624 | epot = -21.772518921465 | etot = -16.9286226909024
-307000  ekin = 2.51296678773709 |  erot = 2.07871985749639 | epot = -21.7145354205816 | etot = -17.1228487753482
-308000  ekin = 2.81300442192371 |  erot = 2.63068774502107 | epot = -21.7059595575782 | etot = -16.2622673906334
-309000  ekin = 2.33295752921531 |  erot = 2.12114847477695 | epot = -21.6789859227475 | etot = -17.2248799187552
-310000  ekin = 2.52283407385729 |  erot = 3.21577684610766 | epot = -21.6977338722704 | etot = -15.9591229523054
-311000  ekin = 2.34905401714491 |  erot = 3.03961744974846 | epot = -21.7112095513776 | etot = -16.3225380844842
-312000  ekin = 1.82668239636477 |  erot = 3.25882975871633 | epot = -21.5839087054203 | etot = -16.4983965503392
-313000  ekin = 1.63596397844578 |  erot = 2.08106491982899 | epot = -21.6088054377576 | etot = -17.8917765394829
-314000  ekin = 2.27268061655198 |  erot = 2.56861774872119 | epot = -21.622333325343 | etot = -16.7810349600698
-315000  ekin = 2.53123691731374 |  erot = 2.1324731770604 | epot = -21.7018350864597 | etot = -17.0381249920856
-316000  ekin = 1.99511026234591 |  erot = 1.80085053236165 | epot = -21.7165753862862 | etot = -17.9206145915787
-317000  ekin = 2.11342130166581 |  erot = 2.00931752224566 | epot = -21.7049091699378 | etot = -17.5821703460263
-318000  ekin = 2.29657040201996 |  erot = 1.9218952520588 | epot = -21.6732020643863 | etot = -17.4547364103076
-319000  ekin = 1.98100978177984 |  erot = 1.68241530251755 | epot = -21.5700337503682 | etot = -17.9066086660708
-320000  ekin = 2.46277902525288 |  erot = 3.0707129249839 | epot = -21.5118277867106 | etot = -15.9783358364738
-321000  ekin = 1.8533722862421 |  erot = 2.67441728470359 | epot = -21.5413634192757 | etot = -17.01357384833
-322000  ekin = 1.94543884879318 |  erot = 3.3613066315754 | epot = -21.4649757180038 | etot = -16.1582302376352
-323000  ekin = 1.92582236335168 |  erot = 2.08582462630249 | epot = -21.5020070864549 | etot = -17.4903600968007
-324000  ekin = 2.21385975174577 |  erot = 2.45972054558752 | epot = -21.6040339423077 | etot = -16.9304536449744
-325000  ekin = 2.71973574551436 |  erot = 2.37172075216282 | epot = -21.7154750081878 | etot = -16.6240185105106
-326000  ekin = 1.88834012476607 |  erot = 1.92160793718507 | epot = -21.7697066104337 | etot = -17.9597585484825
-327000  ekin = 3.03100650626309 |  erot = 1.66914039489952 | epot = -21.8474776692767 | etot = -17.1473307681141
-328000  ekin = 2.74123304387623 |  erot = 1.9170666048058 | epot = -21.8856206551572 | etot = -17.2273210064752
-329000  ekin = 2.94158338898171 |  erot = 3.13997083102765 | epot = -21.9406516192959 | etot = -15.8590973992865
-330000  ekin = 2.91669398329971 |  erot = 2.01301123001111 | epot = -21.9369752911326 | etot = -17.0072700778218
-331000  ekin = 2.28417665381006 |  erot = 2.04960167200569 | epot = -21.927160006304 | etot = -17.5933816804883
-332000  ekin = 2.4148148688836 |  erot = 3.18178691603942 | epot = -21.9797962539673 | etot = -16.3831944690443
-333000  ekin = 2.45630818257634 |  erot = 2.70954264697347 | epot = -22.0834375892948 | etot = -16.917586759745
-334000  ekin = 2.37347521855933 |  erot = 2.99534828037212 | epot = -22.119902754337 | etot = -16.7510792554055
-335000  ekin = 2.11274250313861 |  erot = 3.56585847378427 | epot = -22.1620352555629 | etot = -16.48343427864
-336000  ekin = 2.63429420241716 |  erot = 2.12841745309053 | epot = -22.1384285356293 | etot = -17.3757168801216
-337000  ekin = 2.74014146566976 |  erot = 2.73588205536329 | epot = -22.1194416289215 | etot = -16.6434181078884
-338000  ekin = 1.84480508690214 |  erot = 2.23455733552335 | epot = -22.1965093971539 | etot = -18.1171469747284
-339000  ekin = 1.56183988387053 |  erot = 2.489100411134 | epot = -22.2396203002948 | etot = -18.1886800052903
-340000  ekin = 1.46409027371678 |  erot = 4.0512372950447 | epot = -22.1584645354502 | etot = -16.6431369666887
-341000  ekin = 1.68589245970878 |  erot = 2.79353148184118 | epot = -22.1393063295445 | etot = -17.6598823879945
-342000  ekin = 1.9632055547669 |  erot = 2.74455536956775 | epot = -22.2008946996018 | etot = -17.4931337752671
-343000  ekin = 2.66782090058793 |  erot = 3.18156117072004 | epot = -22.2922370675599 | etot = -16.4428549962519
-344000  ekin = 1.78878469299216 |  erot = 2.18063379585249 | epot = -22.3229742728833 | etot = -18.3535557840387
-345000  ekin = 1.540972096623 |  erot = 1.85836807653953 | epot = -22.3669594635967 | etot = -18.9676192904341
-346000  ekin = 1.69306131915114 |  erot = 1.80797582028411 | epot = -22.3312791976866 | etot = -18.8302420582514
-347000  ekin = 1.37617258934979 |  erot = 2.61616357123582 | epot = -22.3534264320593 | etot = -18.3610902714737
-348000  ekin = 2.13829045790164 |  erot = 2.85908731375532 | epot = -22.3464198630052 | etot = -17.3490420913483
-349000  ekin = 1.82945196641201 |  erot = 1.97678849263654 | epot = -22.3619223728943 | etot = -18.5556819138458
-350000  ekin = 1.78944470920989 |  erot = 2.50950790539659 | epot = -22.3467767277336 | etot = -18.0478241131271
-351000  ekin = 1.68749587286921 |  erot = 2.81742906170281 | epot = -22.4171372510498 | etot = -17.9122123164778
-352000  ekin = 2.77021178817643 |  erot = 2.15256178979697 | epot = -22.5877268787862 | etot = -17.6649533008128
-353000  ekin = 3.5651579503159 |  erot = 1.46627940614144 | epot = -22.6396840781933 | etot = -17.608246721736
-354000  ekin = 3.44763260550689 |  erot = 2.25092776011915 | epot = -22.5553143373262 | etot = -16.8567539717001
-355000  ekin = 2.03402845200418 |  erot = 2.90906782343746 | epot = -22.5137132330461 | etot = -17.5706169576044
-356000  ekin = 2.10644486273696 |  erot = 3.31938387624324 | epot = -22.5442634045104 | etot = -17.1184346655302
-357000  ekin = 2.76535001946383 |  erot = 2.50873330135166 | epot = -22.52215971412 | etot = -17.2480763933045
-358000  ekin = 2.53751054023787 |  erot = 2.26477084741189 | epot = -22.5103746530379 | etot = -17.7080932653881
-359000  ekin = 3.23570364771486 |  erot = 2.52813698122051 | epot = -22.6019986378314 | etot = -16.838158008896
-360000  ekin = 2.59175576606819 |  erot = 1.97223576668381 | epot = -22.6470028729806 | etot = -18.0830113402286
-361000  ekin = 2.61182361704566 |  erot = 2.50385714239847 | epot = -22.6927829246934 | etot = -17.5771021652493
-362000  ekin = 2.38475515872101 |  erot = 3.84233912950958 | epot = -22.6454854809905 | etot = -16.4183911927599
-363000  ekin = 2.88487115582968 |  erot = 1.98709532428838 | epot = -22.5316518293815 | etot = -17.6596853492635
-364000  ekin = 2.24456282663807 |  erot = 1.87857741688963 | epot = -22.4065988337859 | etot = -18.2834585902582
-365000  ekin = 2.04295690198209 |  erot = 2.81008642631349 | epot = -22.2314366274422 | etot = -17.3783932991466
-366000  ekin = 2.266544192376 |  erot = 1.95642386899595 | epot = -22.1933765521819 | etot = -17.97040849081
-367000  ekin = 2.81580114465084 |  erot = 2.51878026336671 | epot = -22.2503978612043 | etot = -16.9158164531867
-368000  ekin = 2.81616947616975 |  erot = 2.18673959088794 | epot = -22.3700662776457 | etot = -17.367157210588
-369000  ekin = 2.31685128708704 |  erot = 2.8485166214536 | epot = -22.4347113127671 | etot = -17.2693434042264
-370000  ekin = 2.66633369096824 |  erot = 2.10373843245294 | epot = -22.5097473869516 | etot = -17.7396752635304
-371000  ekin = 2.19554700980946 |  erot = 3.61136788339347 | epot = -22.5751109079912 | etot = -16.7681960147883
-372000  ekin = 1.77355024694411 |  erot = 3.42422008956619 | epot = -22.6682235461143 | etot = -17.470453209604
-373000  ekin = 2.14882393689494 |  erot = 2.79102164241389 | epot = -22.7183823639386 | etot = -17.7785367846297
-374000  ekin = 2.69471790401649 |  erot = 3.57888941010137 | epot = -22.8644350080836 | etot = -16.5908276939657
-375000  ekin = 2.40588229328688 |  erot = 2.98559431132055 | epot = -22.9231560989464 | etot = -17.5316794943389
-376000  ekin = 3.36525975858234 |  erot = 3.24749522030667 | epot = -22.9448546765658 | etot = -16.3320996976767
-377000  ekin = 3.1898535090454 |  erot = 2.65440981370779 | epot = -22.8890189773608 | etot = -17.0447556546076
-378000  ekin = 1.54661929765086 |  erot = 2.66304115784623 | epot = -22.8894135140088 | etot = -18.6797530585117
-379000  ekin = 1.93848939303329 |  erot = 2.54534330055222 | epot = -22.9081180555037 | etot = -18.4242853619182
-380000  ekin = 2.66258042260528 |  erot = 2.88895789126712 | epot = -22.9376621442708 | etot = -17.3861238303984
-381000  ekin = 2.95374671041029 |  erot = 2.1769850563328 | epot = -22.9816080577256 | etot = -17.8508762909825
-382000  ekin = 2.58850292280408 |  erot = 2.01885613358327 | epot = -22.9279053853416 | etot = -18.3205463289542
-383000  ekin = 2.01542491830335 |  erot = 2.50444856286716 | epot = -22.9509700194999 | etot = -18.4310965383294
-384000  ekin = 2.10088918623931 |  erot = 2.19861971638621 | epot = -22.9637245689725 | etot = -18.664215666347
-385000  ekin = 1.91381637067085 |  erot = 1.63023926713733 | epot = -22.9798616984434 | etot = -19.4358060606352
-386000  ekin = 1.55997375471681 |  erot = 1.35864886272388 | epot = -23.026401230456 | etot = -20.1077786130153
-387000  ekin = 2.21265030198491 |  erot = 1.7501227932087 | epot = -23.0266356759123 | etot = -19.0638625807187
-388000  ekin = 1.98732621523102 |  erot = 1.96003045102707 | epot = -22.9343684877508 | etot = -18.9870118214927
-389000  ekin = 2.5418388293764 |  erot = 2.33933777400626 | epot = -22.9288764120935 | etot = -18.0476998087109
-390000  ekin = 2.07840415144685 |  erot = 1.88714080084969 | epot = -22.8368099519711 | etot = -18.8712649996745
-391000  ekin = 1.85201287716429 |  erot = 2.41309749069991 | epot = -22.8035614550317 | etot = -18.5384510871675
-392000  ekin = 2.19897450334475 |  erot = 2.90002030847564 | epot = -22.8026053664846 | etot = -17.7036105546642
-393000  ekin = 2.15250422129825 |  erot = 3.1954140871906 | epot = -22.8935871868038 | etot = -17.5456688783149
-394000  ekin = 1.99220043003136 |  erot = 2.14720550675182 | epot = -22.8839525821639 | etot = -18.7445466453807
-395000  ekin = 2.03384825587122 |  erot = 2.5026704188622 | epot = -22.9355340107645 | etot = -18.3990153360311
-396000  ekin = 2.14388612805494 |  erot = 1.95887569078926 | epot = -23.0314147787906 | etot = -18.9286529599464
-397000  ekin = 2.39817268086959 |  erot = 1.65198489715495 | epot = -23.1381610188687 | etot = -19.0880034408442
-398000  ekin = 3.5848529329223 |  erot = 2.5137795193631 | epot = -23.2493671328086 | etot = -17.1507346805232
-399000  ekin = 2.65690410152896 |  erot = 1.78815540583896 | epot = -23.3551071826471 | etot = -18.9100476752792
-400000  ekin = 2.5116972230557 |  erot = 2.10904464709597 | epot = -23.4242760069967 | etot = -18.803534136845
-401000  ekin = 2.05111703519218 |  erot = 2.15375363886755 | epot = -23.4796569613041 | etot = -19.2747862872443
-402000  ekin = 2.43372934314587 |  erot = 2.11260100954187 | epot = -23.4682554876931 | etot = -18.9219251350053
-403000  ekin = 2.53598880596584 |  erot = 2.81278076880176 | epot = -23.5378775828587 | etot = -18.1891080080911
-404000  ekin = 2.18194702425602 |  erot = 2.63711249102604 | epot = -23.6244518702206 | etot = -18.8053923549385
-405000  ekin = 2.45121967393562 |  erot = 2.40500763090291 | epot = -23.6357713162683 | etot = -18.7795440114298
-406000  ekin = 2.21958671378093 |  erot = 2.24922226746756 | epot = -23.6553601287 | etot = -19.1865511474515
-407000  ekin = 1.98564574231222 |  erot = 2.77863717556005 | epot = -23.5607032705187 | etot = -18.7964203526464
-408000  ekin = 2.57646591315375 |  erot = 2.58095218000659 | epot = -23.4398366413677 | etot = -18.2824185482073
-409000  ekin = 2.36945583486912 |  erot = 2.25935935813466 | epot = -23.3294611001761 | etot = -18.7006459071724
-410000  ekin = 2.02254604345491 |  erot = 1.96483214055515 | epot = -23.3122760741247 | etot = -19.3248978901146
-411000  ekin = 1.87895167522371 |  erot = 2.65152784802951 | epot = -23.2919254735047 | etot = -18.7614459502515
-412000  ekin = 1.99369299492691 |  erot = 2.68971636909523 | epot = -23.2559513781021 | etot = -18.57254201408
-413000  ekin = 2.38900558877156 |  erot = 2.64564764432049 | epot = -23.2013938450539 | etot = -18.1667406119618
-414000  ekin = 2.42764300748033 |  erot = 1.75174590229272 | epot = -23.1266922276306 | etot = -18.9473033178576
-415000  ekin = 2.76414124953308 |  erot = 2.44215852210494 | epot = -23.1817305186064 | etot = -17.9754307469683
-416000  ekin = 2.08280868301927 |  erot = 2.76578542751831 | epot = -23.1905832299196 | etot = -18.341989119382
-417000  ekin = 1.99968890800012 |  erot = 1.95787693284286 | epot = -23.194417716001 | etot = -19.236851875158
-418000  ekin = 2.38298881868294 |  erot = 2.55898711987873 | epot = -23.1586352965619 | etot = -18.2166593580002
-419000  ekin = 2.9839633883085 |  erot = 2.57065203496089 | epot = -23.0544780894577 | etot = -17.4998626661883
-420000  ekin = 2.60178854557762 |  erot = 2.46052060802045 | epot = -22.9622762729971 | etot = -17.899967119399
-421000  ekin = 2.51720276737396 |  erot = 1.77804167911051 | epot = -22.9515897224038 | etot = -18.6563452759193
-422000  ekin = 2.7320348139792 |  erot = 1.67298118116889 | epot = -22.9404137463627 | etot = -18.5353977512146
-423000  ekin = 2.13282380031375 |  erot = 2.54987675813572 | epot = -22.8157706530705 | etot = -18.133070094621
-424000  ekin = 1.90610672595356 |  erot = 2.31894231724673 | epot = -22.7787002443962 | etot = -18.553651201196
-425000  ekin = 2.37366400687573 |  erot = 1.95578603620107 | epot = -22.7873996262579 | etot = -18.4579495831811
-426000  ekin = 2.23502410344739 |  erot = 2.60951465135819 | epot = -22.8069525247999 | etot = -17.9624137699943
-427000  ekin = 1.88572309905852 |  erot = 2.12675775194484 | epot = -22.973782602072 | etot = -18.9613017510686
-428000  ekin = 1.93180562731872 |  erot = 2.45432362930894 | epot = -23.1062681387344 | etot = -18.7201388821067
-429000  ekin = 1.72618205037519 |  erot = 2.1638575670951 | epot = -23.1203764425356 | etot = -19.2303368250654
-430000  ekin = 2.31236502680075 |  erot = 2.14057167953237 | epot = -23.127316365141 | etot = -18.6743796588079
-431000  ekin = 2.45859340033276 |  erot = 2.41557475448707 | epot = -23.137683007962 | etot = -18.2635148531422
-432000  ekin = 2.80043339920945 |  erot = 2.19140888866301 | epot = -23.1459051340744 | etot = -18.1540628462019
-433000  ekin = 2.2038223816989 |  erot = 1.62239062651454 | epot = -23.1902054552061 | etot = -19.3639924469927
-434000  ekin = 2.59117398719482 |  erot = 2.35262979682601 | epot = -23.2174180769097 | etot = -18.2736142928889
-435000  ekin = 2.29283868462832 |  erot = 2.54026007379789 | epot = -23.1968654207439 | etot = -18.3637666623176
-436000  ekin = 2.43256920688117 |  erot = 2.74968424233253 | epot = -23.2466230085986 | etot = -18.0643695593849
-437000  ekin = 1.64425125112848 |  erot = 3.23329270267647 | epot = -23.2380191669749 | etot = -18.3604752131699
-438000  ekin = 1.56124620606823 |  erot = 2.60252333491232 | epot = -23.1341667906033 | etot = -18.9703972496228
-439000  ekin = 2.30501653948793 |  erot = 1.93890022921162 | epot = -23.14170715719 | etot = -18.8977903884904
-440000  ekin = 2.52023257151789 |  erot = 3.04669715760005 | epot = -23.2021590525686 | etot = -17.6352293234507
-441000  ekin = 2.79903748157629 |  erot = 2.54578114158762 | epot = -23.1760357267403 | etot = -17.8312171035764
-442000  ekin = 2.93503932875119 |  erot = 2.87674150367343 | epot = -23.1192988997858 | etot = -17.3075180673612
-443000  ekin = 1.96853850230447 |  erot = 1.76444304280728 | epot = -23.0474504745021 | etot = -19.3144689293904
-444000  ekin = 2.00740903163919 |  erot = 2.25338146232896 | epot = -22.9768126386128 | etot = -18.7160221446446
-445000  ekin = 2.22543241532629 |  erot = 2.06325853122729 | epot = -22.8128736901554 | etot = -18.5241827436018
-446000  ekin = 2.44497213168066 |  erot = 2.37296472072563 | epot = -22.7182187420116 | etot = -17.9002818896053
-447000  ekin = 2.27682912672612 |  erot = 2.40590062157627 | epot = -22.73821768508 | etot = -18.0554879367776
-448000  ekin = 2.17717815648414 |  erot = 1.94002353369628 | epot = -22.8515885285926 | etot = -18.7343868384122
-449000  ekin = 2.21957974285234 |  erot = 2.34288028472299 | epot = -22.9413256171992 | etot = -18.3788655896239
-450000  ekin = 2.75054329798646 |  erot = 1.97942707751151 | epot = -22.8960066852305 | etot = -18.1660363097325
-451000  ekin = 2.21127283509867 |  erot = 2.13383865709095 | epot = -22.93012845553 | etot = -18.5850169633403
-452000  ekin = 2.54342208027875 |  erot = 2.35725031977164 | epot = -22.9678192920236 | etot = -18.0671468919732
-453000  ekin = 2.22826691368246 |  erot = 1.78505555998555 | epot = -22.9525856519538 | etot = -18.9392631782858
-454000  ekin = 2.43963081757063 |  erot = 2.59545869820689 | epot = -22.8816014548474 | etot = -17.8465119390699
-455000  ekin = 2.04579285921012 |  erot = 2.79600798010941 | epot = -22.6671256943706 | etot = -17.8253248550511
-456000  ekin = 2.02054568037702 |  erot = 2.5142933737518 | epot = -22.4807651427491 | etot = -17.9459260886202
-457000  ekin = 2.62427297855768 |  erot = 2.43881475758852 | epot = -22.3628471473124 | etot = -17.2997594111662
-458000  ekin = 2.00982157063058 |  erot = 1.99237218757745 | epot = -22.2563036448067 | etot = -18.2541098865987
-459000  ekin = 1.75248702434071 |  erot = 2.49686008961238 | epot = -22.2467888503062 | etot = -17.9974417363531
-460000  ekin = 1.91910131837566 |  erot = 2.07619395094217 | epot = -22.2400567481829 | etot = -18.2447614788651
-461000  ekin = 1.56844353839394 |  erot = 1.28973659789019 | epot = -22.2093526564538 | etot = -19.3511725201697
-462000  ekin = 2.45174884293064 |  erot = 1.36031689293857 | epot = -22.3089787954009 | etot = -18.4969130595317
-463000  ekin = 2.64349839520108 |  erot = 2.07831354185085 | epot = -22.4300376076151 | etot = -17.7082256705631
-464000  ekin = 2.67299819724031 |  erot = 3.73615881795558 | epot = -22.554470130186 | etot = -16.1453131149901
-465000  ekin = 1.95390361110071 |  erot = 2.23920710641231 | epot = -22.7384686297881 | etot = -18.545357912275
-466000  ekin = 2.13348556167989 |  erot = 2.96280610170109 | epot = -22.8443072066537 | etot = -17.7480155432727
-467000  ekin = 2.46613760277875 |  erot = 2.11616591175904 | epot = -23.0265043956358 | etot = -18.444200881098
-468000  ekin = 1.99036864211387 |  erot = 1.62858187482038 | epot = -23.0961237334908 | etot = -19.4771732165565
-469000  ekin = 2.49659836745282 |  erot = 2.63661728128629 | epot = -23.1411267023576 | etot = -18.0079110536185
-470000  ekin = 2.92199371715687 |  erot = 3.21712399422296 | epot = -23.1457817109815 | etot = -17.0066639996017
-471000  ekin = 2.36477645073574 |  erot = 1.72314859686431 | epot = -23.1045733261495 | etot = -19.0166482785494
-472000  ekin = 2.18519498855062 |  erot = 2.00240720258206 | epot = -23.072627104452 | etot = -18.8850249133193
-473000  ekin = 2.3714321613692 |  erot = 2.86124663404655 | epot = -23.0328429128019 | etot = -17.8001641173862
-474000  ekin = 2.1857949588469 |  erot = 2.60051446256873 | epot = -22.9136735669303 | etot = -18.1273641455147
-475000  ekin = 2.39661135768768 |  erot = 2.01358694537797 | epot = -22.813046501162 | etot = -18.4028481980963
-476000  ekin = 2.10676579065005 |  erot = 2.60327856915634 | epot = -22.8119267991277 | etot = -18.1018824393213
-477000  ekin = 2.53295314095718 |  erot = 3.55510942450984 | epot = -22.7955031957515 | etot = -16.7074406302845
-478000  ekin = 2.40630114318287 |  erot = 2.73236241457618 | epot = -22.7034337758127 | etot = -17.5647702180536
-479000  ekin = 1.27745698905519 |  erot = 2.99245403250463 | epot = -22.6605920931777 | etot = -18.3906810716179
-480000  ekin = 1.82390564518045 |  erot = 2.13920354248295 | epot = -22.6299626931083 | etot = -18.6668535054449
-481000  ekin = 2.3880478628611 |  erot = 3.18399864702822 | epot = -22.6553769169915 | etot = -17.0833304071022
-482000  ekin = 3.20116727691415 |  erot = 2.41976760575225 | epot = -22.6125762236254 | etot = -16.991641340959
-483000  ekin = 3.03846588981692 |  erot = 2.48627946336888 | epot = -22.5774232520165 | etot = -17.0526778988307
-484000  ekin = 2.70181776439228 |  erot = 2.52677846233176 | epot = -22.6070502809988 | etot = -17.3784540542748
-485000  ekin = 3.27224317472663 |  erot = 2.42431335826243 | epot = -22.5997277235211 | etot = -16.9031711905321
-486000  ekin = 1.96596043103987 |  erot = 1.75891125021975 | epot = -22.642547970919 | etot = -18.9176762896594
-487000  ekin = 2.6234378417876 |  erot = 2.50755895035553 | epot = -22.7339556642929 | etot = -17.6029588721497
-488000  ekin = 1.75208074499658 |  erot = 2.6448687233026 | epot = -22.7917400975639 | etot = -18.3947906292648
-489000  ekin = 2.08733298303259 |  erot = 2.9523180967106 | epot = -22.881879447047 | etot = -17.8422283673038
-490000  ekin = 2.30760030156363 |  erot = 2.33161319100248 | epot = -22.8847649865187 | etot = -18.2455514939526
-491000  ekin = 2.48196214295004 |  erot = 2.59523958504393 | epot = -22.8776771178079 | etot = -17.800475389814
-492000  ekin = 3.28209206383218 |  erot = 2.1852502939697 | epot = -22.8577625078557 | etot = -17.3904201500538
-493000  ekin = 3.37967323337949 |  erot = 2.35355143859173 | epot = -22.8047552632571 | etot = -17.0715305912858
-494000  ekin = 3.57464120696614 |  erot = 2.24853455202993 | epot = -22.8042956353342 | etot = -16.9811198763381
-495000  ekin = 2.5052992174061 |  erot = 2.15850924694968 | epot = -22.7996067752132 | etot = -18.1357983108574
-496000  ekin = 1.95429188426678 |  erot = 3.5825937389492 | epot = -22.837298805698 | etot = -17.3004131824821
-497000  ekin = 2.22186292996358 |  erot = 2.46502235984734 | epot = -22.8432554612651 | etot = -18.1563701714542
-498000  ekin = 1.72648192614392 |  erot = 2.39641281876546 | epot = -22.7792810810776 | etot = -18.6563863361682
-499000  ekin = 2.44591165293457 |  erot = 2.82720242160824 | epot = -22.7953427712295 | etot = -17.5222286966867
-500000  ekin = 2.7851302139546 |  erot = 2.23270136622152 | epot = -22.8991185931508 | etot = -17.8812870129746
-501000  ekin = 2.99439211318652 |  erot = 1.97783069072832 | epot = -22.9279475016441 | etot = -17.9557246977292
-502000  ekin = 2.9862206030979 |  erot = 1.79973926744011 | epot = -22.956155459855 | etot = -18.170195589317
-503000  ekin = 2.51500932637374 |  erot = 2.88863666961797 | epot = -22.9858023469845 | etot = -17.5821563509928
-504000  ekin = 2.84387999289216 |  erot = 2.69340549636984 | epot = -22.9170131486245 | etot = -17.3797276593625
-505000  ekin = 2.95569075243612 |  erot = 2.602585876956 | epot = -22.9907249028698 | etot = -17.4324482734777
-506000  ekin = 2.19812159740513 |  erot = 1.96718410179931 | epot = -23.0318373952185 | etot = -18.8665316960141
-507000  ekin = 2.26250501037088 |  erot = 2.70461320689487 | epot = -22.9974394720575 | etot = -18.0303212547917
-508000  ekin = 2.63634784309456 |  erot = 2.05036585895923 | epot = -23.0090804345496 | etot = -18.3223667324958
-509000  ekin = 2.94151668821484 |  erot = 2.91160221114196 | epot = -23.0621014211554 | etot = -17.2089825217986
-510000  ekin = 2.26258273420884 |  erot = 2.8155823326395 | epot = -23.1767418648115 | etot = -18.0985767979631
-511000  ekin = 2.89871784417207 |  erot = 2.15651428734314 | epot = -23.2992796007865 | etot = -18.2440474692713
-512000  ekin = 2.18241701331153 |  erot = 2.32471024525139 | epot = -23.3744961479659 | etot = -18.867368889403
-513000  ekin = 1.69086971293502 |  erot = 2.8783745660792 | epot = -23.3843289700052 | etot = -18.8150846909909
-514000  ekin = 1.72546832120935 |  erot = 2.33325616873572 | epot = -23.3798363194193 | etot = -19.3211118294743
-515000  ekin = 1.99840202228396 |  erot = 1.80255577214453 | epot = -23.3747953532199 | etot = -19.5738375587914
-516000  ekin = 3.02853898966319 |  erot = 1.54004582498168 | epot = -23.3386782444955 | etot = -18.7700934298506
-517000  ekin = 2.46344499126943 |  erot = 2.11388687673044 | epot = -23.3135548350045 | etot = -18.7362229670046
-518000  ekin = 2.0362169291028 |  erot = 2.51796163147274 | epot = -23.2504637438686 | etot = -18.6962851832931
-519000  ekin = 1.58660977959654 |  erot = 1.63211831489779 | epot = -23.2081782818072 | etot = -19.9894501873129
-520000  ekin = 2.16318611090781 |  erot = 1.89658879288914 | epot = -23.2096974204855 | etot = -19.1499225166885
-521000  ekin = 1.97684804456375 |  erot = 2.08731550434085 | epot = -23.2527315496486 | etot = -19.188568000744
-522000  ekin = 2.69827007409924 |  erot = 2.19560826391663 | epot = -23.3133573112007 | etot = -18.4194789731848
-523000  ekin = 2.2478363305578 |  erot = 1.67442261891177 | epot = -23.3604551637841 | etot = -19.4381962143146
-524000  ekin = 2.34895041229461 |  erot = 2.10078601700867 | epot = -23.381233923661 | etot = -18.9314974943577
-525000  ekin = 2.13155817393156 |  erot = 2.07239357304026 | epot = -23.4395046885398 | etot = -19.235552941568
-526000  ekin = 2.50234900291801 |  erot = 2.25431525777582 | epot = -23.4988198653879 | etot = -18.7421556046941
-527000  ekin = 3.03511403104629 |  erot = 1.80504692374136 | epot = -23.5562539149297 | etot = -18.7160929601421
-528000  ekin = 2.56074044727573 |  erot = 2.54331285469023 | epot = -23.5735936308822 | etot = -18.4695403289162
-529000  ekin = 2.37500349152887 |  erot = 1.93006279746846 | epot = -23.5580125050353 | etot = -19.252946216038
-530000  ekin = 3.34194424343389 |  erot = 3.41373524710891 | epot = -23.4507267657596 | etot = -16.6950472752168
-531000  ekin = 2.42341072166937 |  erot = 2.35978455298084 | epot = -23.1501712562452 | etot = -18.366975981595
-532000  ekin = 2.58886764526949 |  erot = 1.86996947608086 | epot = -23.1663546344342 | etot = -18.7075175130839
-533000  ekin = 2.18022742299593 |  erot = 2.16045486833456 | epot = -23.380637574335 | etot = -19.0399552830045
-534000  ekin = 2.34791679374047 |  erot = 2.03855517230123 | epot = -23.463831563993 | etot = -19.0773595979513
-535000  ekin = 2.37817813408508 |  erot = 2.07397219148902 | epot = -23.4832900392636 | etot = -19.0311397136895
-536000  ekin = 2.46210672665338 |  erot = 1.8947790016655 | epot = -23.4672059982835 | etot = -19.1103202699646
-537000  ekin = 1.71186030024847 |  erot = 2.1344462698512 | epot = -23.5555571897054 | etot = -19.7092506196057
-538000  ekin = 2.16671541009104 |  erot = 2.76559932728314 | epot = -23.6609154290595 | etot = -18.7286006916853
-539000  ekin = 2.16621132370208 |  erot = 2.29104148484627 | epot = -23.7377569804062 | etot = -19.2805041718579
-540000  ekin = 2.37610335621453 |  erot = 1.63780764528448 | epot = -23.7325177726622 | etot = -19.7186067711632
-541000  ekin = 2.61201541528826 |  erot = 2.52498155703037 | epot = -23.6623419839272 | etot = -18.5253450116085
-542000  ekin = 2.72898292667725 |  erot = 2.10989431729706 | epot = -23.7000798212983 | etot = -18.861202577324
-543000  ekin = 2.72070152721044 |  erot = 1.85641764017256 | epot = -23.6069628280622 | etot = -19.0298436606792
-544000  ekin = 2.11779438939827 |  erot = 1.50576740930398 | epot = -23.5826778503359 | etot = -19.9591160516337
-545000  ekin = 1.70778076743634 |  erot = 2.56995673058895 | epot = -23.583343914622 | etot = -19.3056064165967
-546000  ekin = 2.3805758278215 |  erot = 1.86648142267507 | epot = -23.6114100683877 | etot = -19.3643528178911
-547000  ekin = 2.45245186799104 |  erot = 2.45758854207408 | epot = -23.6611856045782 | etot = -18.7511451945131
-548000  ekin = 2.39042546399151 |  erot = 2.39603897463391 | epot = -23.6735607421256 | etot = -18.8870963035002
-549000  ekin = 2.59234094316699 |  erot = 2.03286284306236 | epot = -23.6646331709071 | etot = -19.0394293846778
-550000  ekin = 1.99320521419403 |  erot = 1.84894458030441 | epot = -23.6669378249973 | etot = -19.8247880304988
-551000  ekin = 2.44898809443739 |  erot = 2.0219242208942 | epot = -23.6235443659669 | etot = -19.1526320506353
-552000  ekin = 2.69502802037877 |  erot = 1.40870700355959 | epot = -23.4610294466586 | etot = -19.3572944227202
-553000  ekin = 1.76133393557171 |  erot = 2.61023484195893 | epot = -23.254624102607 | etot = -18.8830553250764
-554000  ekin = 2.30411800065654 |  erot = 2.33064249173903 | epot = -23.2181242479504 | etot = -18.5833637555548
-555000  ekin = 3.27047384641377 |  erot = 1.6422371773255 | epot = -23.1973795659522 | etot = -18.2846685422129
-556000  ekin = 2.90314776795354 |  erot = 2.59897046564306 | epot = -23.1460736374982 | etot = -17.6439554039016
-557000  ekin = 2.91673821282758 |  erot = 3.16411852075219 | epot = -23.1459806883625 | etot = -17.0651239547827
-558000  ekin = 2.82902946234823 |  erot = 2.71147602500681 | epot = -23.1195640745749 | etot = -17.5790585872199
-559000  ekin = 2.44501247164481 |  erot = 3.2946921444891 | epot = -23.1638653139107 | etot = -17.4241606977768
-560000  ekin = 2.31903153876872 |  erot = 2.34794389762528 | epot = -23.1221343768987 | etot = -18.4551589405047
-561000  ekin = 2.04778211145284 |  erot = 2.88230317636058 | epot = -23.0254469759625 | etot = -18.0953616881491
-562000  ekin = 2.23097749779459 |  erot = 3.71637560430596 | epot = -22.8954878936692 | etot = -16.9481347915687
-563000  ekin = 3.13589796296721 |  erot = 2.30360204009239 | epot = -22.9672461823823 | etot = -17.5277461793227
-564000  ekin = 2.43468506100309 |  erot = 2.37780089042927 | epot = -22.9400399192094 | etot = -18.127553967777
-565000  ekin = 2.74707381978168 |  erot = 2.07635638038451 | epot = -22.9404100305402 | etot = -18.116979830374
-566000  ekin = 2.4222424655432 |  erot = 2.23675573588529 | epot = -22.964317030412 | etot = -18.3053188289835
-567000  ekin = 2.66075150820169 |  erot = 2.00813116398473 | epot = -23.0598382212572 | etot = -18.3909555490708
-568000  ekin = 3.04180913535304 |  erot = 1.98452490185762 | epot = -23.1129541055894 | etot = -18.0866200683787
-569000  ekin = 3.57499094364799 |  erot = 2.06992850387417 | epot = -23.117960007112 | etot = -17.4730405595898
-570000  ekin = 2.66020768003306 |  erot = 2.34012507933247 | epot = -23.1339632056245 | etot = -18.133630446259
-571000  ekin = 1.94924082891001 |  erot = 2.84220462440654 | epot = -23.0609933320748 | etot = -18.2695478787583
-572000  ekin = 2.41536650984725 |  erot = 2.40871845587551 | epot = -23.0560879925718 | etot = -18.232003026849
-573000  ekin = 1.75696177901838 |  erot = 2.31680084915611 | epot = -23.107424588529 | etot = -19.0336619603545
-574000  ekin = 2.1071071848933 |  erot = 2.59270710144433 | epot = -23.1966129698341 | etot = -18.4967986834965
-575000  ekin = 2.37668274547159 |  erot = 2.79832262601946 | epot = -23.2697902014998 | etot = -18.0947848300088
-576000  ekin = 2.17648663043414 |  erot = 3.28534323951364 | epot = -23.3035961850707 | etot = -17.8417663151229
-577000  ekin = 2.48653402473871 |  erot = 2.29382004189646 | epot = -23.3348256872303 | etot = -18.5544716205951
-578000  ekin = 2.63497646120015 |  erot = 2.38541222697017 | epot = -23.3938829535157 | etot = -18.3734942653454
-579000  ekin = 2.68807604490538 |  erot = 1.70832449354964 | epot = -23.3711370904455 | etot = -18.9747365519905
-580000  ekin = 2.35405412912148 |  erot = 2.8553242408976 | epot = -23.3804498064804 | etot = -18.1710714364613
-581000  ekin = 2.45622900796811 |  erot = 2.60461398742566 | epot = -23.3507481421638 | etot = -18.28990514677
-582000  ekin = 2.33821855888559 |  erot = 3.20610340688907 | epot = -23.4193095100182 | etot = -17.8749875442436
-583000  ekin = 1.96183085357235 |  erot = 2.81826367270291 | epot = -23.5872275727996 | etot = -18.8071330465243
-584000  ekin = 2.00096559581716 |  erot = 1.71662185522173 | epot = -23.6766993596687 | etot = -19.9591119086298
-585000  ekin = 2.2650842350347 |  erot = 2.08204874292297 | epot = -23.7234738719865 | etot = -19.3763408940288
-586000  ekin = 2.20207640113325 |  erot = 1.96861811478536 | epot = -23.6859240119471 | etot = -19.5152294960285
-587000  ekin = 3.67938790357027 |  erot = 1.82484412869377 | epot = -23.6634672548209 | etot = -18.1592352225569
-588000  ekin = 3.48089636122829 |  erot = 2.30691916064612 | epot = -23.5643712718911 | etot = -17.7765557500167
-589000  ekin = 2.63030533099327 |  erot = 2.9702466869305 | epot = -23.3767694123201 | etot = -17.7762173943963
-590000  ekin = 1.60813837628253 |  erot = 2.03263132264272 | epot = -23.1946522249358 | etot = -19.5538825260106
-591000  ekin = 1.81653381805571 |  erot = 1.75591263591366 | epot = -23.1302877005862 | etot = -19.5578412466168
-592000  ekin = 2.57247249135485 |  erot = 2.59257155085885 | epot = -23.1533569826366 | etot = -17.9883129404229
-593000  ekin = 2.43678836763256 |  erot = 1.78797409267748 | epot = -23.1035527853187 | etot = -18.8787903250087
-594000  ekin = 2.12126425466624 |  erot = 2.16319102375819 | epot = -23.0537965790237 | etot = -18.7693413005993
-595000  ekin = 2.61494655403376 |  erot = 2.04015446622256 | epot = -23.041588630948 | etot = -18.3864876106917
-596000  ekin = 2.58385979830463 |  erot = 2.125984026295 | epot = -23.0987578414776 | etot = -18.388914016878
-597000  ekin = 3.0356528884646 |  erot = 3.13920569000609 | epot = -23.0959220060406 | etot = -16.92106342757
-598000  ekin = 3.448018111133 |  erot = 2.86438132305443 | epot = -23.1524961324829 | etot = -16.8400966982954
-599000  ekin = 2.14568317629689 |  erot = 3.49762367929462 | epot = -23.1236320419091 | etot = -17.4803251863176
-600000  ekin = 2.20856388598401 |  erot = 2.50873295237986 | epot = -23.1229244675557 | etot = -18.4056276291918
-601000  ekin = 2.82305805419651 |  erot = 2.82785171484619 | epot = -23.093817009667 | etot = -17.4429072406243
-602000  ekin = 2.33756515640057 |  erot = 2.3814563165261 | epot = -23.0592036595801 | etot = -18.3401821866535
-603000  ekin = 1.93163217766375 |  erot = 1.95544716703194 | epot = -22.941151667404 | etot = -19.0540723227083
-604000  ekin = 2.67918576808855 |  erot = 3.14415640026539 | epot = -22.9119901406973 | etot = -17.0886479723434
-605000  ekin = 2.72017891571417 |  erot = 2.06410352610178 | epot = -22.9250944568005 | etot = -18.1408120149845
-606000  ekin = 2.99653903957879 |  erot = 2.03201724640129 | epot = -22.8426486789921 | etot = -17.814092393012
-607000  ekin = 2.88290327274547 |  erot = 2.37629823895312 | epot = -22.8265624505584 | etot = -17.5673609388598
-608000  ekin = 3.6564890765792 |  erot = 2.46096427245297 | epot = -22.7637531347954 | etot = -16.6462997857633
-609000  ekin = 2.67772613172483 |  erot = 2.28052588350936 | epot = -22.784032519386 | etot = -17.8257805041518
-610000  ekin = 2.96660977711584 |  erot = 2.13935236193287 | epot = -22.7753012812081 | etot = -17.6693391421594
-611000  ekin = 3.84936812341098 |  erot = 2.13515328821562 | epot = -22.7555358965927 | etot = -16.7710144849661
-612000  ekin = 2.85991416578252 |  erot = 2.46799936153364 | epot = -22.6670923038619 | etot = -17.3391787765458
-613000  ekin = 2.93458428860956 |  erot = 2.15612272200133 | epot = -22.6620509726505 | etot = -17.5713439620396
-614000  ekin = 2.80109550846435 |  erot = 2.03413630963325 | epot = -22.735929073337 | etot = -17.9006972552394
-615000  ekin = 2.29275572188425 |  erot = 2.37295436060996 | epot = -22.8265717932651 | etot = -18.1608617107709
-616000  ekin = 1.78880182339297 |  erot = 2.46512387757483 | epot = -22.9181914142038 | etot = -18.664265713236
-617000  ekin = 2.58548247747108 |  erot = 2.53734413400793 | epot = -22.9371325341202 | etot = -17.8143059226412
-618000  ekin = 2.31891017470357 |  erot = 2.68587322473765 | epot = -22.8737927646705 | etot = -17.8690093652293
-619000  ekin = 1.95260275466613 |  erot = 2.00546202293513 | epot = -22.8346556656307 | etot = -18.8765908880295
-620000  ekin = 2.9312355259843 |  erot = 2.17154966265513 | epot = -22.9093263040915 | etot = -17.806541115452
-621000  ekin = 2.92251791603671 |  erot = 1.69365790820559 | epot = -22.9491849521548 | etot = -18.3330091279125
-622000  ekin = 2.04583493083921 |  erot = 2.52347309118728 | epot = -22.8885087146283 | etot = -18.3192006926018
-623000  ekin = 1.97949309574552 |  erot = 3.07796024634624 | epot = -22.899088756596 | etot = -17.8416354145043
-624000  ekin = 2.09648243468335 |  erot = 2.65430331108241 | epot = -22.914733999871 | etot = -18.1639482541052
-625000  ekin = 2.53179488470072 |  erot = 2.36095144458489 | epot = -22.9722766139489 | etot = -18.0795302846633
-626000  ekin = 2.71471201325311 |  erot = 2.038002303651 | epot = -23.0006194176227 | etot = -18.2479051007186
-627000  ekin = 2.22374294193216 |  erot = 2.35282114621755 | epot = -22.9588355159151 | etot = -18.3822714277654
-628000  ekin = 2.28003968408293 |  erot = 2.28859673286464 | epot = -22.8537881524811 | etot = -18.2851517355335
-629000  ekin = 2.52123014813329 |  erot = 1.89624895610832 | epot = -22.7908976494591 | etot = -18.3734185452175
-630000  ekin = 3.09551469183927 |  erot = 2.51634259883875 | epot = -22.7156574639271 | etot = -17.1038001732491
-631000  ekin = 2.38491234780997 |  erot = 3.31746706623938 | epot = -22.7274824388449 | etot = -17.0251030247955
-632000  ekin = 2.58509546960735 |  erot = 2.52764681234154 | epot = -22.6801845001954 | etot = -17.5674422182465
-633000  ekin = 2.43450196234921 |  erot = 1.9074646477535 | epot = -22.6545806388637 | etot = -18.312614028761
-634000  ekin = 2.22577935817066 |  erot = 2.00781737526926 | epot = -22.5723806994747 | etot = -18.3387839660348
-635000  ekin = 2.21833116743445 |  erot = 1.98256884900851 | epot = -22.5422908112103 | etot = -18.3413907947673
-636000  ekin = 2.25207449335774 |  erot = 2.77890466668274 | epot = -22.5736742647701 | etot = -17.5426951047296
-637000  ekin = 1.94359576469155 |  erot = 2.6121109986752 | epot = -22.6035657643129 | etot = -18.0478590009461
-638000  ekin = 2.53947002676468 |  erot = 3.14006412371943 | epot = -22.5826147275244 | etot = -16.9030805770402
-639000  ekin = 2.37745481188141 |  erot = 2.49540365345358 | epot = -22.5449630195302 | etot = -17.6721045541952
-640000  ekin = 2.08212454926531 |  erot = 2.21940536991445 | epot = -22.453303862966 | etot = -18.1517739437862
-641000  ekin = 2.47971433110368 |  erot = 3.55852071727848 | epot = -22.3500233136602 | etot = -16.3117882652781
-642000  ekin = 3.38958957156561 |  erot = 2.18184701440171 | epot = -22.2389727056174 | etot = -16.6675361196501
-643000  ekin = 2.84881174665207 |  erot = 2.413254877821 | epot = -22.1927147648616 | etot = -16.9306481403886
-644000  ekin = 2.9788163296922 |  erot = 1.93799042516405 | epot = -22.1764728944767 | etot = -17.2596661396204
-645000  ekin = 4.12550859701587 |  erot = 1.89960014649319 | epot = -22.1706973334318 | etot = -16.1455885899228
-646000  ekin = 2.52696357860359 |  erot = 2.00637360005821 | epot = -22.1102258356952 | etot = -17.5768886570333
-647000  ekin = 2.55512268942677 |  erot = 2.20922204555245 | epot = -22.1538572894812 | etot = -17.389512554502
-648000  ekin = 3.02957533574521 |  erot = 2.11325139659861 | epot = -22.1575349215939 | etot = -17.0147081892501
-649000  ekin = 2.58453912449214 |  erot = 3.20631221677863 | epot = -22.1339073532352 | etot = -16.3430560119644
-650000  ekin = 3.77204744414227 |  erot = 2.43066777037188 | epot = -22.0837500061792 | etot = -15.8810347916651
-651000  ekin = 3.31369677202991 |  erot = 2.36221103045568 | epot = -21.9243902112032 | etot = -16.2484824087176
-652000  ekin = 2.49262898649827 |  erot = 3.02155153905954 | epot = -21.7253342697997 | etot = -16.2111537442419
-653000  ekin = 2.82559687485827 |  erot = 2.53899564631137 | epot = -21.7211782659414 | etot = -16.3565857447718
-654000  ekin = 2.35170683287638 |  erot = 2.15925543988734 | epot = -21.9219546077978 | etot = -17.4109923350341
-655000  ekin = 2.2746913368331 |  erot = 2.12498780379593 | epot = -21.9020101665877 | etot = -17.5023310259586
-656000  ekin = 2.33856358324454 |  erot = 2.10525554685067 | epot = -21.9227166217961 | etot = -17.4788974917008
-657000  ekin = 2.74434355807405 |  erot = 2.19006149870653 | epot = -22.1368388094875 | etot = -17.2024337527069
-658000  ekin = 3.04721032533817 |  erot = 2.59752520159664 | epot = -22.2936626687419 | etot = -16.6489271418071
-659000  ekin = 2.86427564828999 |  erot = 3.42151988715138 | epot = -22.2986314842237 | etot = -16.0128359487823
-660000  ekin = 2.92506899234012 |  erot = 1.63381738879488 | epot = -22.3375917964994 | etot = -17.7787054153644
-661000  ekin = 3.22051797741487 |  erot = 1.86658559874782 | epot = -22.4692759662967 | etot = -17.382172390134
-662000  ekin = 3.06008561550976 |  erot = 2.20194497946945 | epot = -22.5616874184536 | etot = -17.2996568234744
-663000  ekin = 1.91383924631387 |  erot = 2.47155788641765 | epot = -22.6270449564058 | etot = -18.2416478236743
-664000  ekin = 1.43175220258741 |  erot = 1.36481827202384 | epot = -22.714938601816 | etot = -19.9183681272047
-665000  ekin = 1.55751729325324 |  erot = 2.30904543593978 | epot = -22.7903483651339 | etot = -18.9237856359409
-666000  ekin = 2.44554812999981 |  erot = 1.7728381640758 | epot = -22.9292683336281 | etot = -18.7108820395525
-667000  ekin = 2.81292959120154 |  erot = 2.33182461186713 | epot = -23.1152300896738 | etot = -17.9704758866051
-668000  ekin = 2.71701517852366 |  erot = 3.1927510370022 | epot = -23.1898047541379 | etot = -17.2800385386121
-669000  ekin = 3.4211844979108 |  erot = 2.4483988547294 | epot = -23.2367567149657 | etot = -17.3671733623255
-670000  ekin = 2.540272537006 |  erot = 1.98108817711494 | epot = -23.1773017073799 | etot = -18.655940993259
-671000  ekin = 2.38054183576284 |  erot = 2.98341127846263 | epot = -23.1403357669317 | etot = -17.7763826527062
-672000  ekin = 3.02714775234025 |  erot = 2.54429912094893 | epot = -23.1240813931427 | etot = -17.5526345198536
-673000  ekin = 3.42342714962536 |  erot = 2.36764796314287 | epot = -23.0365834633316 | etot = -17.2455083505634
-674000  ekin = 3.1787369792725 |  erot = 2.10003598211897 | epot = -22.9565366380298 | etot = -17.6777636766383
-675000  ekin = 2.35379506516488 |  erot = 1.53509045481238 | epot = -22.8504434741329 | etot = -18.9615579541557
-676000  ekin = 2.44888744246419 |  erot = 2.24653163842729 | epot = -22.7725645250621 | etot = -18.0771454441706
-677000  ekin = 2.75831894151647 |  erot = 1.93124166774781 | epot = -22.8527844251281 | etot = -18.1632238158638
-678000  ekin = 2.86751481243524 |  erot = 1.65310315497864 | epot = -22.8648869805436 | etot = -18.3442690131297
-679000  ekin = 2.34238342331609 |  erot = 2.69036620616395 | epot = -22.9330609670147 | etot = -17.9003113375347
-680000  ekin = 2.47092831167294 |  erot = 2.90821987338148 | epot = -22.9893989293305 | etot = -17.610250744276
-681000  ekin = 1.90592213851373 |  erot = 2.57738203916981 | epot = -22.9226803153478 | etot = -18.4393761376642
-682000  ekin = 2.11776015116235 |  erot = 2.69956516894844 | epot = -22.8385618600593 | etot = -18.0212365399485
-683000  ekin = 2.36569744411279 |  erot = 2.12377742206911 | epot = -22.7248964050232 | etot = -18.2354215388413
-684000  ekin = 2.87481829504096 |  erot = 2.65568540935019 | epot = -22.6557781340276 | etot = -17.1252744296364
-685000  ekin = 3.04590812681261 |  erot = 2.17384411148381 | epot = -22.6239841629455 | etot = -17.4042319246491
-686000  ekin = 2.45732454887051 |  erot = 2.42727693460545 | epot = -22.5554269158738 | etot = -17.6708254323979
-687000  ekin = 2.74615797772517 |  erot = 1.80419114366277 | epot = -22.4906419692597 | etot = -17.9402928478718
-688000  ekin = 1.7920739822545 |  erot = 2.04572898801195 | epot = -22.4080555397627 | etot = -18.5702525694962
-689000  ekin = 2.87658871003945 |  erot = 1.89509928788519 | epot = -22.4597913998897 | etot = -17.6881034019651
-690000  ekin = 2.12362847773645 |  erot = 2.42433705189552 | epot = -22.5737079170673 | etot = -18.0257423874353
-691000  ekin = 2.15963929746743 |  erot = 2.52975117929537 | epot = -22.5896382204305 | etot = -17.9002477436677
-692000  ekin = 2.88714768351631 |  erot = 2.65189982514091 | epot = -22.4796475018852 | etot = -16.9405999932279
-693000  ekin = 2.30934205113368 |  erot = 2.51896960835911 | epot = -22.3454093965687 | etot = -17.5170977370759
-694000  ekin = 2.90083400146798 |  erot = 2.34214046553658 | epot = -22.2620689836397 | etot = -17.0190945166351
-695000  ekin = 2.9577943585455 |  erot = 2.23887088042094 | epot = -22.303054593607 | etot = -17.1063893546405
-696000  ekin = 2.65803880066321 |  erot = 2.33953886943022 | epot = -22.3444459486844 | etot = -17.3468682785909
-697000  ekin = 1.89104688866877 |  erot = 1.78290264315477 | epot = -22.3519476787994 | etot = -18.6779981469758
-698000  ekin = 2.22763370474282 |  erot = 2.82521193129044 | epot = -22.374966668557 | etot = -17.3221210325237
-699000  ekin = 2.35357258316915 |  erot = 2.06864522211151 | epot = -22.302995332199 | etot = -17.8807775269184
-700000  ekin = 2.58206368687336 |  erot = 2.33093601350411 | epot = -22.2613878464485 | etot = -17.3483881460711
-701000  ekin = 2.99704307093403 |  erot = 1.89954183386767 | epot = -22.3232249760621 | etot = -17.4266400712604
-702000  ekin = 2.67512006336489 |  erot = 2.64729282748452 | epot = -22.3604874692709 | etot = -17.0380745784215
-703000  ekin = 2.02348242287829 |  erot = 2.03755058248806 | epot = -22.4348344343157 | etot = -18.3738014289493
-704000  ekin = 1.59657624705204 |  erot = 1.63613322855987 | epot = -22.4674717825454 | etot = -19.2347623069335
-705000  ekin = 2.34019771505867 |  erot = 1.91006554831154 | epot = -22.5441024225864 | etot = -18.2938391592161
-706000  ekin = 2.47926998793354 |  erot = 3.26999075651193 | epot = -22.5117539612542 | etot = -16.7624932168087
-707000  ekin = 2.38604341038216 |  erot = 2.41699636933021 | epot = -22.604009927914 | etot = -17.8009701482016
-708000  ekin = 1.68115636633466 |  erot = 2.34002138995268 | epot = -22.7466665621618 | etot = -18.7254888058744
-709000  ekin = 1.80992626994918 |  erot = 2.57911114058356 | epot = -23.0637398035031 | etot = -18.6747023929704
-710000  ekin = 2.07665974484992 |  erot = 1.83617776589231 | epot = -23.1977961917903 | etot = -19.2849586810481
-711000  ekin = 1.95352231029107 |  erot = 2.41454578486037 | epot = -23.2358193849337 | etot = -18.8677512897822
-712000  ekin = 2.13370686414587 |  erot = 1.78661700982467 | epot = -23.2645434465923 | etot = -19.3442195726217
-713000  ekin = 2.90695161716251 |  erot = 1.55091931636559 | epot = -23.1835772351912 | etot = -18.7257063016631
-714000  ekin = 2.06629801094757 |  erot = 1.86611085535956 | epot = -23.2239032864041 | etot = -19.2914944200969
-715000  ekin = 2.52903922778277 |  erot = 1.94261958015835 | epot = -23.1658397986034 | etot = -18.6941809906622
-716000  ekin = 3.03498992772823 |  erot = 2.21064066235538 | epot = -23.2216970852983 | etot = -17.9760664952147
-717000  ekin = 3.07971375394894 |  erot = 2.47094593918087 | epot = -23.3639588975855 | etot = -17.8132992044557
-718000  ekin = 3.49703192209654 |  erot = 2.27170758510088 | epot = -23.4199184473786 | etot = -17.6511789401811
-719000  ekin = 4.06139770605771 |  erot = 3.10418818480813 | epot = -23.4072026156126 | etot = -16.2416167247468
-720000  ekin = 2.49828440590245 |  erot = 1.90909738802778 | epot = -23.262316602338 | etot = -18.8549348084078
-721000  ekin = 2.57931762358207 |  erot = 1.98570897250437 | epot = -23.1440560046385 | etot = -18.579029408552
-722000  ekin = 2.01081836336836 |  erot = 2.2747167647488 | epot = -23.1040519922181 | etot = -18.8185168641009
-723000  ekin = 2.44097316114449 |  erot = 2.07630856281912 | epot = -23.1828606158314 | etot = -18.6655788918678
-724000  ekin = 1.90797367222605 |  erot = 1.93592443836535 | epot = -23.2376437089983 | etot = -19.3937455984069
-725000  ekin = 2.19373210936071 |  erot = 2.80513028222362 | epot = -23.2888134461385 | etot = -18.2899510545542
-726000  ekin = 2.2764864004673 |  erot = 2.54378150467671 | epot = -23.3354979947709 | etot = -18.5152300896268
-727000  ekin = 1.72219216954142 |  erot = 2.62563304726333 | epot = -23.3703740298761 | etot = -19.0225488130713
-728000  ekin = 2.25087046178847 |  erot = 3.59486012962608 | epot = -23.435416924773 | etot = -17.5896863333584
-729000  ekin = 2.68839033328484 |  erot = 1.72111131116557 | epot = -23.4784810452544 | etot = -19.0689794008039
-730000  ekin = 2.5329756962683 |  erot = 2.7666773813211 | epot = -23.4899025882625 | etot = -18.1902495106731
-731000  ekin = 2.6760609901083 |  erot = 2.04579712240261 | epot = -23.5241973416199 | etot = -18.802339229109
-732000  ekin = 2.77848516459028 |  erot = 1.88432734797838 | epot = -23.5774208145874 | etot = -18.9146083020187
-733000  ekin = 2.18895381088671 |  erot = 2.63471719118119 | epot = -23.6107634586383 | etot = -18.7870924565704
-734000  ekin = 1.69467760927658 |  erot = 2.30338410687055 | epot = -23.5936446347431 | etot = -19.595582918596
-735000  ekin = 2.17749689272956 |  erot = 2.71618098412724 | epot = -23.5330417303215 | etot = -18.6393638534647
-736000  ekin = 2.29375858428166 |  erot = 1.1740900723812 | epot = -23.503450790287 | etot = -20.0356021336242
-737000  ekin = 2.20827752624533 |  erot = 3.11531250945766 | epot = -23.4552023795231 | etot = -18.1316123438201
-738000  ekin = 1.72303720787712 |  erot = 2.28747842674015 | epot = -23.3309270174989 | etot = -19.3204113828816
-739000  ekin = 1.39492824364512 |  erot = 2.17488386602882 | epot = -23.28548996576 | etot = -19.7156778560861
-740000  ekin = 1.90426261774289 |  erot = 2.27825159935278 | epot = -23.2514184467463 | etot = -19.0689042296506
-741000  ekin = 2.02024508457136 |  erot = 2.72073546284876 | epot = -23.1876217096301 | etot = -18.4466411622099
-742000  ekin = 1.97487019042321 |  erot = 1.87541960482772 | epot = -23.0929182320365 | etot = -19.2426284367856
-743000  ekin = 1.96486238454688 |  erot = 2.76982785281128 | epot = -22.9318899502109 | etot = -18.1971997128528
-744000  ekin = 2.04909521933131 |  erot = 2.34373814592941 | epot = -22.8510525613065 | etot = -18.4582191960458
-745000  ekin = 1.66771130319646 |  erot = 1.87270341329448 | epot = -22.7977076876185 | etot = -19.2572929711276
-746000  ekin = 2.11650515037838 |  erot = 2.03542197982564 | epot = -22.7785820280378 | etot = -18.6266548978338
-747000  ekin = 3.07964448387158 |  erot = 1.66910106460583 | epot = -22.8037757029139 | etot = -18.0550301544365
-748000  ekin = 3.03811477337698 |  erot = 1.85631102018694 | epot = -22.8436239146773 | etot = -17.9491981211133
-749000  ekin = 2.53753852426481 |  erot = 2.01199117356573 | epot = -22.860297041716 | etot = -18.3107673438855
-750000  ekin = 2.77210902960465 |  erot = 2.32628560304478 | epot = -22.9528220918576 | etot = -17.8544274592082
-751000  ekin = 2.52040431872467 |  erot = 2.34903725042469 | epot = -23.0127359055533 | etot = -18.1432943364039
-752000  ekin = 2.46408285580806 |  erot = 1.68868786663082 | epot = -22.9901282704654 | etot = -18.8373575480265
-753000  ekin = 2.47364326188914 |  erot = 1.55776271670366 | epot = -23.1135680684223 | etot = -19.0821620898295
-754000  ekin = 2.5278916038673 |  erot = 2.29496804643662 | epot = -23.2403939606523 | etot = -18.4175343103483
-755000  ekin = 1.52934303772527 |  erot = 2.21322404979637 | epot = -23.262110017443 | etot = -19.5195429299214
-756000  ekin = 2.10423967353423 |  erot = 2.40303050505255 | epot = -23.1685739957517 | etot = -18.6613038171649
-757000  ekin = 2.92559629660516 |  erot = 2.0691293568206 | epot = -23.1502917576405 | etot = -18.1555661042147
-758000  ekin = 2.37300490719645 |  erot = 2.51363215153151 | epot = -23.0495756460038 | etot = -18.1629385872758
-759000  ekin = 2.6014595730178 |  erot = 2.39657042348208 | epot = -22.9025259489071 | etot = -17.9044959524072
-760000  ekin = 3.23086874355225 |  erot = 2.77072134903012 | epot = -22.8089299952235 | etot = -16.8073399026412
-761000  ekin = 3.41475369307092 |  erot = 1.70180532416599 | epot = -22.7404708369396 | etot = -17.6239118197027
-762000  ekin = 3.40874473404401 |  erot = 2.52147443954634 | epot = -22.5276669204419 | etot = -16.5974477468515
-763000  ekin = 2.64281892112082 |  erot = 1.82464895439093 | epot = -22.3890167593186 | etot = -17.9215488838069
-764000  ekin = 2.38098664175603 |  erot = 2.71455563654527 | epot = -22.2309521785191 | etot = -17.1354099002178
-765000  ekin = 2.24221473762586 |  erot = 1.94826539133556 | epot = -22.122583392123 | etot = -17.9321032631616
-766000  ekin = 2.50645584526003 |  erot = 1.96129579948818 | epot = -21.9857907119498 | etot = -17.5180390672015
-767000  ekin = 2.34028568638226 |  erot = 2.64592471376141 | epot = -21.9051815399867 | etot = -16.918971139843
-768000  ekin = 1.86752761821211 |  erot = 2.06138447840236 | epot = -21.8874171216963 | etot = -17.9585050250818
-769000  ekin = 3.03590459157853 |  erot = 2.66440802561784 | epot = -21.8247140853503 | etot = -16.124401468154
-770000  ekin = 2.42567220683552 |  erot = 1.97830158892933 | epot = -21.8110526122117 | etot = -17.4070788164468
-771000  ekin = 2.20056711884501 |  erot = 2.53255190976195 | epot = -21.7341162461991 | etot = -17.0009972175921
-772000  ekin = 2.75016173617492 |  erot = 1.98403019503999 | epot = -21.8164316952287 | etot = -17.0822397640138
-773000  ekin = 2.14723076845117 |  erot = 2.41512334908793 | epot = -21.9576017041203 | etot = -17.3952475865812
-774000  ekin = 2.20536023895281 |  erot = 1.98379412617599 | epot = -22.043759647449 | etot = -17.8546052823202
-775000  ekin = 2.53158393271132 |  erot = 2.8225938280108 | epot = -22.2469056379858 | etot = -16.8927278772637
-776000  ekin = 3.15988726149912 |  erot = 2.46223044860468 | epot = -22.4204382258798 | etot = -16.798320515776
-777000  ekin = 1.91542872566335 |  erot = 1.75408058586262 | epot = -22.4517075164596 | etot = -18.7821982049336
-778000  ekin = 2.94665474162607 |  erot = 2.31805831302194 | epot = -22.4632153304498 | etot = -17.1985022758018
-779000  ekin = 3.10970934270731 |  erot = 2.04446179405629 | epot = -22.4851490287702 | etot = -17.3309778920066
-780000  ekin = 2.85215832341045 |  erot = 3.13312086675091 | epot = -22.4501531708741 | etot = -16.4648739807127
-781000  ekin = 2.36733074493229 |  erot = 3.56399648845806 | epot = -22.4171363625471 | etot = -16.4858091291567
-782000  ekin = 2.32796510372074 |  erot = 2.86343667143255 | epot = -22.3438054250098 | etot = -17.1524036498565
-783000  ekin = 1.86439500745061 |  erot = 3.05233385447291 | epot = -22.2079509833896 | etot = -17.2912221214661
-784000  ekin = 2.05476588420882 |  erot = 2.29789997988689 | epot = -22.1006364427793 | etot = -17.7479705786836
-785000  ekin = 2.03879516593738 |  erot = 2.15052527915338 | epot = -22.0056061371158 | etot = -17.816285692025
-786000  ekin = 2.3752160296601 |  erot = 2.32156698168742 | epot = -21.9727988200248 | etot = -17.2760158086773
-787000  ekin = 2.76686314352376 |  erot = 2.23625261993099 | epot = -21.8969600931556 | etot = -16.8938443297008
-788000  ekin = 2.13318993659091 |  erot = 2.25162748275281 | epot = -21.8604178455632 | etot = -17.4756004262194
-789000  ekin = 1.98216852118508 |  erot = 1.98058785261598 | epot = -21.844134033761 | etot = -17.8813776599599
-790000  ekin = 1.67847851427146 |  erot = 1.42560334440858 | epot = -21.941301490604 | etot = -18.837219631924
-791000  ekin = 2.12689982203095 |  erot = 2.53200907087448 | epot = -22.0864434478656 | etot = -17.4275345549602
-792000  ekin = 1.72797703494859 |  erot = 2.22448376175168 | epot = -22.1854190028922 | etot = -18.2329582061919
-793000  ekin = 3.18409314211953 |  erot = 1.94056710411296 | epot = -22.3760603901177 | etot = -17.2514001438852
-794000  ekin = 2.49071782059139 |  erot = 3.01186430180266 | epot = -22.4315505782774 | etot = -16.9289684558833
-795000  ekin = 2.89844296027926 |  erot = 3.07659510288655 | epot = -22.5164404652995 | etot = -16.5414024021337
-796000  ekin = 2.32845268798927 |  erot = 1.62708270564126 | epot = -22.5660647482766 | etot = -18.6105293546461
-797000  ekin = 2.20766900620157 |  erot = 3.6597733457204 | epot = -22.5351911425215 | etot = -16.6677487905995
-798000  ekin = 2.12139450500735 |  erot = 2.94419809776829 | epot = -22.53586560158 | etot = -17.4702729988044
-799000  ekin = 2.48452434226029 |  erot = 2.7415786036137 | epot = -22.4941328101442 | etot = -17.2680298642702
-800000  ekin = 2.17521613585505 |  erot = 2.96480330538541 | epot = -22.3818079549674 | etot = -17.2417885137269
-801000  ekin = 2.54690065539559 |  erot = 2.74966931670846 | epot = -22.3008594124712 | etot = -17.0042894403671
-802000  ekin = 3.02823775407486 |  erot = 2.8915936784506 | epot = -22.2024149184001 | etot = -16.2825834858746
-803000  ekin = 2.21042161290743 |  erot = 2.51594019231142 | epot = -22.1069208353333 | etot = -17.3805590301145
-804000  ekin = 2.91061289296152 |  erot = 1.5830418961718 | epot = -22.0839512655924 | etot = -17.5902964764591
-805000  ekin = 2.67762522194669 |  erot = 3.06970455948968 | epot = -22.0793101970619 | etot = -16.3319804156255
-806000  ekin = 2.75979804034939 |  erot = 2.2176860954027 | epot = -22.0549669082474 | etot = -17.0774827724953
-807000  ekin = 2.11041519443391 |  erot = 2.83915265443807 | epot = -22.1073292774231 | etot = -17.1577614285511
-808000  ekin = 1.84392510139081 |  erot = 2.29797054411878 | epot = -22.0753255923415 | etot = -17.9334299468319
-809000  ekin = 1.93171652686567 |  erot = 1.94021167949754 | epot = -22.0668297694372 | etot = -18.194901563074
-810000  ekin = 1.97774334424761 |  erot = 2.6472977913531 | epot = -22.1020544833021 | etot = -17.4770133477014
-811000  ekin = 2.2417092413671 |  erot = 1.75505259459069 | epot = -22.1062654329495 | etot = -18.1095035969917
-812000  ekin = 2.49053159164605 |  erot = 2.33986799245713 | epot = -22.124141511127 | etot = -17.2937419270238
-813000  ekin = 3.01755249739549 |  erot = 2.24004680047387 | epot = -22.1167722656682 | etot = -16.8591729677989
-814000  ekin = 2.86045886242639 |  erot = 2.24119269343823 | epot = -22.1084535534804 | etot = -17.0068019976158
-815000  ekin = 2.57503557502156 |  erot = 2.76212054641368 | epot = -21.9950519676046 | etot = -16.6578958461694
-816000  ekin = 2.19961906931023 |  erot = 2.59194277056134 | epot = -22.0843443380244 | etot = -17.2927824981528
-817000  ekin = 1.75062364873707 |  erot = 2.66165019507354 | epot = -22.3739862599355 | etot = -17.9617124161249
-818000  ekin = 2.24809257416679 |  erot = 2.59026399650675 | epot = -22.5610524731389 | etot = -17.7226959024654
-819000  ekin = 2.12537334404071 |  erot = 2.59618311382673 | epot = -22.5606510650104 | etot = -17.839094607143
-820000  ekin = 1.93414650390356 |  erot = 2.29085663493509 | epot = -22.4839314706954 | etot = -18.2589283318568
-821000  ekin = 2.11382182469737 |  erot = 2.38685226676536 | epot = -22.47627897247 | etot = -17.9756048810073
-822000  ekin = 2.2613431095799 |  erot = 2.12056938305333 | epot = -22.370909843474 | etot = -17.9889973508408
-823000  ekin = 2.31560863750917 |  erot = 2.60350436456086 | epot = -22.4988996092736 | etot = -17.5797866072036
-824000  ekin = 1.73697879038959 |  erot = 1.5185057021212 | epot = -22.6200401147494 | etot = -19.3645556222386
-825000  ekin = 1.63614248894086 |  erot = 1.97731468932685 | epot = -22.6198150724223 | etot = -19.0063578941546
-826000  ekin = 2.00841233147246 |  erot = 2.17850248200248 | epot = -22.5466518143203 | etot = -18.3597370008454
-827000  ekin = 2.18457105279113 |  erot = 2.44711764942285 | epot = -22.4005870169979 | etot = -17.7688983147839
-828000  ekin = 1.91039404464085 |  erot = 2.73449242191012 | epot = -22.3948651441296 | etot = -17.7499786775786
-829000  ekin = 2.07228257188588 |  erot = 2.97134747466499 | epot = -22.4347910090961 | etot = -17.3911609625452
-830000  ekin = 1.99293621346915 |  erot = 2.15765133255911 | epot = -22.4843800017124 | etot = -18.3337924556842
-831000  ekin = 2.33241187954984 |  erot = 2.37634533076884 | epot = -22.5757045912718 | etot = -17.8669473809531
-832000  ekin = 2.02856108052035 |  erot = 1.94729581180225 | epot = -22.6670251626246 | etot = -18.691168270302
-833000  ekin = 2.28623411522758 |  erot = 2.15108044390973 | epot = -22.7566850878713 | etot = -18.319370528734
-834000  ekin = 2.12105013529711 |  erot = 1.5116778668129 | epot = -22.7735851481702 | etot = -19.1408571460602
-835000  ekin = 2.88531776933573 |  erot = 2.74027641398136 | epot = -22.8585330533172 | etot = -17.2329388700001
-836000  ekin = 3.32070208623905 |  erot = 2.42231134749978 | epot = -22.8959107751695 | etot = -17.1528973414306
-837000  ekin = 2.74149226799164 |  erot = 2.32127198719276 | epot = -22.8906677110002 | etot = -17.8279034558158
-838000  ekin = 3.13302338440878 |  erot = 3.19829232559053 | epot = -22.9166668544453 | etot = -16.585351144446
-839000  ekin = 2.73522885875602 |  erot = 2.61100294075548 | epot = -22.8499426413711 | etot = -17.5037108418596
-840000  ekin = 2.97139629828009 |  erot = 1.43157972743722 | epot = -22.7763904271576 | etot = -18.3734144014403
-841000  ekin = 2.9571795545775 |  erot = 2.67280681737836 | epot = -22.7408850128302 | etot = -17.1108986408743
-842000  ekin = 2.17222575948606 |  erot = 2.30478646820068 | epot = -22.7382440804492 | etot = -18.2612318527624
-843000  ekin = 2.83292824269634 |  erot = 2.04165126380544 | epot = -22.7426687858571 | etot = -17.8680892793554
-844000  ekin = 2.95938970875204 |  erot = 1.50198210425589 | epot = -22.783719790782 | etot = -18.3223479777741
-845000  ekin = 3.16076837184522 |  erot = 2.28216144351779 | epot = -22.7913524647186 | etot = -17.3484226493555
-846000  ekin = 3.3398977708405 |  erot = 2.53602189023877 | epot = -22.7943227793905 | etot = -16.9184031183113
-847000  ekin = 2.14145435242079 |  erot = 2.75036267291773 | epot = -22.7255800042885 | etot = -17.83376297895
-848000  ekin = 2.48912550447967 |  erot = 2.81875176956459 | epot = -22.5834297802211 | etot = -17.2755525061768
-849000  ekin = 1.98023552181666 |  erot = 2.5692134285068 | epot = -22.4587431120173 | etot = -17.9092941616939
-850000  ekin = 2.0475383789703 |  erot = 1.80627608629883 | epot = -22.442868440532 | etot = -18.5890539752628
-851000  ekin = 2.09704360250612 |  erot = 1.85768640504848 | epot = -22.4344168330881 | etot = -18.4796868255335
-852000  ekin = 1.70813487206096 |  erot = 1.42387059402563 | epot = -22.3764553852037 | etot = -19.2444499191171
-853000  ekin = 2.00140314580349 |  erot = 3.04689599134399 | epot = -22.4103147041128 | etot = -17.3620155669653
-854000  ekin = 3.02149896921022 |  erot = 2.22990677084323 | epot = -22.4965128093929 | etot = -17.2451070693394
-855000  ekin = 2.19607047478225 |  erot = 2.83672007906388 | epot = -22.5083573431917 | etot = -17.4755667893456
-856000  ekin = 2.44947669543341 |  erot = 1.52884872890501 | epot = -22.4898047833717 | etot = -18.5114793590332
-857000  ekin = 2.53345481305323 |  erot = 2.80399799726174 | epot = -22.39864736443 | etot = -17.061194554115
-858000  ekin = 2.20266598505728 |  erot = 2.82477658278041 | epot = -22.322749893257 | etot = -17.2953073254193
-859000  ekin = 2.30655855498922 |  erot = 2.31428920065484 | epot = -22.299458676259 | etot = -17.6786109206149
-860000  ekin = 1.99697183524065 |  erot = 1.95028062775308 | epot = -22.3156691349687 | etot = -18.3684166719749
-861000  ekin = 2.69687116915107 |  erot = 2.24433771449493 | epot = -22.3086232893581 | etot = -17.3674144057121
-862000  ekin = 2.86022987586877 |  erot = 2.41684736135787 | epot = -22.2874375572893 | etot = -17.0103603200626
-863000  ekin = 2.60871204568914 |  erot = 3.3557366458487 | epot = -22.2313024399491 | etot = -16.2668537484113
-864000  ekin = 2.90978326967391 |  erot = 2.29745178043259 | epot = -22.1985713670251 | etot = -16.9913363169186
-865000  ekin = 1.92892881804686 |  erot = 2.15731715168145 | epot = -22.0984656787339 | etot = -18.0122197090056
-866000  ekin = 1.96990768776308 |  erot = 1.64764578107637 | epot = -21.9980087709689 | etot = -18.3804553021294
-867000  ekin = 1.75218832670564 |  erot = 3.37220276943672 | epot = -21.9060579112704 | etot = -16.781666815128
-868000  ekin = 1.82818126605702 |  erot = 2.79449094294287 | epot = -21.9401796601767 | etot = -17.3175074511768
-869000  ekin = 2.38095838431442 |  erot = 2.38587739965205 | epot = -22.0329803939138 | etot = -17.2661446099473
-870000  ekin = 1.91334960398162 |  erot = 3.22058637313173 | epot = -22.0372634175766 | etot = -16.9033274404632
-871000  ekin = 3.11762256076551 |  erot = 2.95337521110721 | epot = -21.9585521021423 | etot = -15.8875543302696
-872000  ekin = 2.97995457097216 |  erot = 1.38589789821627 | epot = -21.8388140547637 | etot = -17.4729615855753
-873000  ekin = 2.75063242740213 |  erot = 2.24384409185972 | epot = -21.7621446383558 | etot = -16.767668119094
-874000  ekin = 2.42548187796032 |  erot = 2.11160399589529 | epot = -21.6726796153781 | etot = -17.1355937415225
-875000  ekin = 2.99029080863986 |  erot = 2.74119845235593 | epot = -21.6681717382462 | etot = -15.9366824772504
-876000  ekin = 2.13275197859305 |  erot = 2.233203194222 | epot = -21.6687594523732 | etot = -17.3028042795581
-877000  ekin = 1.83070162423874 |  erot = 1.6010526911626 | epot = -21.6263742280813 | etot = -18.19461991268
-878000  ekin = 2.01997494895548 |  erot = 2.72070409004295 | epot = -21.632105565574 | etot = -16.8914265265756
-879000  ekin = 1.43444833027133 |  erot = 2.17422677437648 | epot = -21.5501867528963 | etot = -17.9415116482485
-880000  ekin = 2.09181862571921 |  erot = 2.57771231025419 | epot = -21.4847603093162 | etot = -16.8152293733428
-881000  ekin = 1.54081572899847 |  erot = 1.98591498012594 | epot = -21.5197472943257 | etot = -17.9930165852013
-882000  ekin = 2.2061903789583 |  erot = 2.64808794630213 | epot = -21.6149395754995 | etot = -16.760661250239
-883000  ekin = 2.22398786469444 |  erot = 2.23146516226547 | epot = -21.6814015671086 | etot = -17.2259485401487
-884000  ekin = 2.78668802039765 |  erot = 2.10130089852047 | epot = -21.7272273228039 | etot = -16.8392384038858
-885000  ekin = 1.92361997638943 |  erot = 1.77572378933155 | epot = -21.7696517903878 | etot = -18.0703080246668
-886000  ekin = 1.99836032534883 |  erot = 3.11596676947403 | epot = -21.7879382713548 | etot = -16.673611176532
-887000  ekin = 1.98879909318866 |  erot = 2.81589132946027 | epot = -21.7923091863043 | etot = -16.9876187636554
-888000  ekin = 1.92041141945741 |  erot = 2.3252911526479 | epot = -21.8607011941373 | etot = -17.614998622032
-889000  ekin = 1.8806357075667 |  erot = 2.46119753007268 | epot = -21.9506056361693 | etot = -17.6087723985299
-890000  ekin = 1.86005551534237 |  erot = 2.25705356539098 | epot = -22.0523870894554 | etot = -17.9352780087221
-891000  ekin = 2.60384568426052 |  erot = 2.35330960558484 | epot = -22.1900620535717 | etot = -17.2329067637263
-892000  ekin = 2.68682478776143 |  erot = 2.69192226449536 | epot = -22.2913421142228 | etot = -16.9125950619661
-893000  ekin = 2.17360632388892 |  erot = 2.98553431183659 | epot = -22.2913111245685 | etot = -17.132170488843
-894000  ekin = 2.52600330506545 |  erot = 2.45861329518365 | epot = -22.2813523194117 | etot = -17.2967357191626
-895000  ekin = 2.51964265942842 |  erot = 2.458508768977 | epot = -22.3090530666537 | etot = -17.3309016382482
-896000  ekin = 1.83970949418621 |  erot = 2.7876698428861 | epot = -22.2816769795447 | etot = -17.6542976424724
-897000  ekin = 2.36177466310812 |  erot = 2.0208895092276 | epot = -22.2244555724411 | etot = -17.8417914001054
-898000  ekin = 2.11475930620727 |  erot = 1.90142689771282 | epot = -22.1399515435435 | etot = -18.1237653396234
-899000  ekin = 2.62628238826603 |  erot = 2.33607509693707 | epot = -22.040854543184 | etot = -17.0784970579809
-900000  ekin = 2.1134311489616 |  erot = 2.28923041198217 | epot = -22.042922147544 | etot = -17.6402605866003
-901000  ekin = 1.9156742929676 |  erot = 1.81441237665855 | epot = -22.0776682049659 | etot = -18.3475815353397
-902000  ekin = 2.56902181313363 |  erot = 2.49856756454338 | epot = -22.0065137105888 | etot = -16.9389243329118
-903000  ekin = 1.85774740371253 |  erot = 2.17490444163848 | epot = -21.9440961512363 | etot = -17.9114443058853
-904000  ekin = 1.86493397406833 |  erot = 2.32873873815716 | epot = -21.8931358584844 | etot = -17.6994631462589
-905000  ekin = 2.31979070947169 |  erot = 2.14360558294755 | epot = -21.824385320242 | etot = -17.3609890278228
-906000  ekin = 2.49844805906095 |  erot = 2.24842339845928 | epot = -21.8343155675942 | etot = -17.087444110074
-907000  ekin = 4.2050069684007 |  erot = 2.50213003512293 | epot = -21.926981437738 | etot = -15.2198444342144
-908000  ekin = 3.27384188266606 |  erot = 2.113986364986 | epot = -22.0851390841283 | etot = -16.6973108364762
-909000  ekin = 2.63126156907554 |  erot = 1.92589592890071 | epot = -22.2067426627273 | etot = -17.649585164751
-910000  ekin = 2.59247391196527 |  erot = 2.91530974700789 | epot = -22.3083595488238 | etot = -16.8005758898507
-911000  ekin = 2.58542931349158 |  erot = 4.35273181589072 | epot = -22.3703725466068 | etot = -15.4322114172245
-912000  ekin = 3.05788115941417 |  erot = 3.70629270837706 | epot = -22.3924331468687 | etot = -15.6282592790774
-913000  ekin = 2.82179099955174 |  erot = 2.17271040546975 | epot = -22.3592523787226 | etot = -17.3647509737011
-914000  ekin = 2.15502438011904 |  erot = 1.21668409626845 | epot = -22.2678100512732 | etot = -18.8961015748857
-915000  ekin = 1.59606663662058 |  erot = 2.96270026674799 | epot = -22.1740650061606 | etot = -17.615298102792
-916000  ekin = 2.59113116114426 |  erot = 3.74925276784446 | epot = -22.2376802645764 | etot = -15.8972963355877
-917000  ekin = 3.04931771481537 |  erot = 2.87183708314021 | epot = -22.2631766381559 | etot = -16.3420218402004
-918000  ekin = 2.92188996322642 |  erot = 2.63336986904281 | epot = -22.2586011448583 | etot = -16.7033413125891
-919000  ekin = 3.21078589975638 |  erot = 2.75946192406924 | epot = -22.2354679015341 | etot = -16.2652200777085
-920000  ekin = 2.28588196467068 |  erot = 2.37332214874002 | epot = -22.2033589800159 | etot = -17.5441548666052
-921000  ekin = 2.38962275209347 |  erot = 2.43661594631483 | epot = -22.1850468087942 | etot = -17.3588081103859
-922000  ekin = 2.30444121290069 |  erot = 2.41446680487179 | epot = -22.1364838134968 | etot = -17.4175757957243
-923000  ekin = 2.49328668364371 |  erot = 2.66692739305866 | epot = -22.1214525565084 | etot = -16.961238479806
-924000  ekin = 1.53749552443357 |  erot = 2.96826070169594 | epot = -22.0894201538095 | etot = -17.58366392768
-925000  ekin = 1.85840160112661 |  erot = 1.96300614534087 | epot = -22.0261080308484 | etot = -18.2047002843809
-926000  ekin = 1.36444139420093 |  erot = 2.1171911056521 | epot = -22.0105169062661 | etot = -18.5288844064131
-927000  ekin = 2.55080456695379 |  erot = 2.08771192494034 | epot = -22.0296775970306 | etot = -17.3911611051365
-928000  ekin = 2.08687563155734 |  erot = 2.73937352627042 | epot = -22.0655254209395 | etot = -17.2392762631117
-929000  ekin = 1.85842465674464 |  erot = 1.85229951899858 | epot = -22.161879510768 | etot = -18.4511553350248
-930000  ekin = 1.98312460976539 |  erot = 2.1107410982594 | epot = -22.14836282055 | etot = -18.0544971125252
-931000  ekin = 2.44403538776918 |  erot = 1.87099700190232 | epot = -22.0455015122594 | etot = -17.7304691225879
-932000  ekin = 2.7450847259232 |  erot = 2.34428750425033 | epot = -22.0610452671158 | etot = -16.9716730369423
-933000  ekin = 3.03611053551161 |  erot = 2.51768120120295 | epot = -21.9625013660046 | etot = -16.4087096292901
-934000  ekin = 2.94656859108538 |  erot = 2.48807299457996 | epot = -21.861427363924 | etot = -16.4267857782587
-935000  ekin = 2.79276097099932 |  erot = 2.14683659927043 | epot = -21.8273092000012 | etot = -16.8877116297315
-936000  ekin = 2.97178317336133 |  erot = 2.07585468409967 | epot = -21.8285263420326 | etot = -16.7808884845716
-937000  ekin = 3.04678623330025 |  erot = 2.3469475727902 | epot = -21.7540111620946 | etot = -16.3602773560041
-938000  ekin = 2.98751343731959 |  erot = 2.36094469095133 | epot = -21.6698990656412 | etot = -16.3214409373703
-939000  ekin = 2.58148991378899 |  erot = 2.28540307033942 | epot = -21.641624391377 | etot = -16.7747314072486
-940000  ekin = 2.64449140269543 |  erot = 2.76444805229845 | epot = -21.5519193090555 | etot = -16.1429798540616
-941000  ekin = 2.27119597888968 |  erot = 2.6047011226429 | epot = -21.4613787017959 | etot = -16.5854816002633
-942000  ekin = 1.87372343217533 |  erot = 2.80846718394805 | epot = -21.3627475231486 | etot = -16.6805569070252
-943000  ekin = 2.47144243861285 |  erot = 2.33780411758964 | epot = -21.3635196463293 | etot = -16.5542730901269
-944000  ekin = 2.13395812695593 |  erot = 1.92152946754219 | epot = -21.3250397924826 | etot = -17.2695521979844
-945000  ekin = 2.55906013749132 |  erot = 2.2064112111687 | epot = -21.3688330068161 | etot = -16.6033616581561
-946000  ekin = 2.36057360323902 |  erot = 2.87561909021941 | epot = -21.3642087487724 | etot = -16.128016055314
-947000  ekin = 2.0664007802554 |  erot = 1.8712733843037 | epot = -21.3615863875836 | etot = -17.4239122230245
-948000  ekin = 1.84827298766581 |  erot = 1.37746869479931 | epot = -21.4042186851624 | etot = -18.1784770026972
-949000  ekin = 1.76268582715986 |  erot = 2.31704980534492 | epot = -21.4240851264671 | etot = -17.3443494939624
-950000  ekin = 1.71596526195605 |  erot = 2.24238613701562 | epot = -21.4136184248624 | etot = -17.4552670258908
-951000  ekin = 1.97739431794919 |  erot = 2.32356723589743 | epot = -21.4746626443703 | etot = -17.1737010905236
-952000  ekin = 2.93969915889367 |  erot = 2.72641565709973 | epot = -21.5183559681327 | etot = -15.8522411521393
-953000  ekin = 2.94576770934606 |  erot = 2.38856498634115 | epot = -21.5141407104899 | etot = -16.1798080148027
-954000  ekin = 3.09120782928501 |  erot = 1.98547863545544 | epot = -21.4220978424351 | etot = -16.3454113776947
-955000  ekin = 3.57635302907509 |  erot = 2.07344226252239 | epot = -21.3055276294275 | etot = -15.65573233783
-956000  ekin = 2.96199697760255 |  erot = 3.68176573533001 | epot = -21.1569123839441 | etot = -14.5131496710115
-957000  ekin = 2.99343140156395 |  erot = 2.6641673976979 | epot = -20.9767503534011 | etot = -15.3191515541393
-958000  ekin = 2.66519710291016 |  erot = 2.94296730915348 | epot = -20.778322783175 | etot = -15.1701583711114
-959000  ekin = 1.92859078964251 |  erot = 2.44737003089627 | epot = -20.7022563699757 | etot = -16.3262955494369
-960000  ekin = 1.49451727360012 |  erot = 3.13583888779427 | epot = -20.7118848436939 | etot = -16.0815286822995
-961000  ekin = 1.95030797402212 |  erot = 2.08601754519332 | epot = -20.7116280307748 | etot = -16.6753025115593
-962000  ekin = 2.02519672504697 |  erot = 1.8993614904036 | epot = -20.7772856698007 | etot = -16.8527274543501
-963000  ekin = 1.81866098250674 |  erot = 2.47413067985077 | epot = -20.8446590259958 | etot = -16.5518673636383
-964000  ekin = 2.82274927013719 |  erot = 2.43518028535965 | epot = -20.9038261011269 | etot = -15.64589654563
-965000  ekin = 2.55107687208175 |  erot = 2.29878175210651 | epot = -20.9717669792334 | etot = -16.1219083550452
-966000  ekin = 2.1200913755337 |  erot = 2.2846988725502 | epot = -21.0606259488472 | etot = -16.6558357007633
-967000  ekin = 1.58229605946639 |  erot = 3.55757301639252 | epot = -21.1224849810159 | etot = -15.982615905157
-968000  ekin = 1.95011274740584 |  erot = 2.3752003899703 | epot = -21.1147445818894 | etot = -16.7894314445132
-969000  ekin = 2.19259033480515 |  erot = 2.45911844664679 | epot = -21.0841141670188 | etot = -16.4324053855669
-970000  ekin = 1.87048608890169 |  erot = 2.95646346755995 | epot = -21.0142741201673 | etot = -16.1873245637056
-971000  ekin = 1.950153162929 |  erot = 3.0717285905854 | epot = -20.9854323440231 | etot = -15.9635505905087
-972000  ekin = 1.93197938125398 |  erot = 2.56232300543577 | epot = -20.9700672251306 | etot = -16.4757648384409
-973000  ekin = 2.21536036218028 |  erot = 2.92680374210101 | epot = -20.9735070987956 | etot = -15.8313429945143
-974000  ekin = 2.53787477442507 |  erot = 2.68950390909793 | epot = -20.9249780227203 | etot = -15.6975993391973
-975000  ekin = 3.3832404833891 |  erot = 2.33888514036507 | epot = -20.8975294326534 | etot = -15.1754038088992
-976000  ekin = 2.84644457799265 |  erot = 3.11578234174529 | epot = -20.8919958508098 | etot = -14.9297689310719
-977000  ekin = 2.71728271399263 |  erot = 2.50842582300821 | epot = -20.8689034899506 | etot = -15.6431949529497
-978000  ekin = 1.79447160570111 |  erot = 2.0736426807417 | epot = -20.8420102217514 | etot = -16.9738959353086
-979000  ekin = 1.87121723303036 |  erot = 2.21930404593537 | epot = -20.7748213462523 | etot = -16.6843000672865
-980000  ekin = 1.92329753072694 |  erot = 1.58075512357095 | epot = -20.7449893755876 | etot = -17.2409367212897
-981000  ekin = 1.54378956643562 |  erot = 2.05667260838343 | epot = -20.8055475552994 | etot = -17.2050853804803
-982000  ekin = 1.84106018589786 |  erot = 1.96434982363189 | epot = -20.9115392638984 | etot = -17.1061292543687
-983000  ekin = 2.72419781781661 |  erot = 1.79041192395563 | epot = -20.935370561762 | etot = -16.4207608199898
-984000  ekin = 3.62592878226169 |  erot = 2.63360520982709 | epot = -21.0391300854773 | etot = -14.7795960933885
-985000  ekin = 2.94852029277516 |  erot = 2.17123324675229 | epot = -21.210668025134 | etot = -16.0909144856065
-986000  ekin = 2.87308205004233 |  erot = 2.17802315487852 | epot = -21.3375937115616 | etot = -16.2864885066408
-987000  ekin = 3.37012638403781 |  erot = 2.51985184465596 | epot = -21.4043627880157 | etot = -15.514384559322
-988000  ekin = 3.46870329025365 |  erot = 3.24288958557111 | epot = -21.4574256625201 | etot = -14.7458327866953
-989000  ekin = 2.84167714920458 |  erot = 2.20794124486355 | epot = -21.6063889534189 | etot = -16.5567705593508
-990000  ekin = 2.79616762915596 |  erot = 1.83962543905575 | epot = -21.6049428673847 | etot = -16.969149799173
-991000  ekin = 3.12376374867622 |  erot = 3.19217780569165 | epot = -21.5124272449002 | etot = -15.1964856905324
-992000  ekin = 3.28266282243327 |  erot = 2.63435990952508 | epot = -21.3973672594977 | etot = -15.4803445275393
-993000  ekin = 3.03845590773447 |  erot = 2.22451011589011 | epot = -21.3214832241627 | etot = -16.0585172005382
-994000  ekin = 3.17417330085466 |  erot = 2.79358287085479 | epot = -21.2400043434466 | etot = -15.2722481717371
-995000  ekin = 3.20646780888655 |  erot = 1.72565517852613 | epot = -21.1372155372729 | etot = -16.2050925498602
-996000  ekin = 3.05109485375234 |  erot = 3.18000631651671 | epot = -21.0952864235923 | etot = -14.8641852533233
-997000  ekin = 2.95625677593347 |  erot = 3.15916554858247 | epot = -21.058148007987 | etot = -14.942725683471
-998000  ekin = 3.06605914614908 |  erot = 1.97682176881012 | epot = -20.9834240684974 | etot = -15.9405431535382
-999000  ekin = 2.08919327368179 |  erot = 2.76364485800616 | epot = -20.9705413117635 | etot = -16.1177031800756
-1000000  ekin = 2.11761701334905 |  erot = 2.1409630347026 | epot = -20.9096627221725 | etot = -16.6510826741208
- 1000000  0.094116312   -1.3659956  0.059141691   -1.1745029 -0.0001320501 
-Loop time of 47.7342 on 1 procs for 1000000 steps with 16 atoms
-
-Performance: 18100.242 tau/day, 20949.354 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 35.978     | 35.978     | 35.978     |   0.0 | 75.37
-Bond    | 1.0053     | 1.0053     | 1.0053     |   0.0 |  2.11
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 0.28221    | 0.28221    | 0.28221    |   0.0 |  0.59
-Output  | 2.7895e-05 | 2.7895e-05 | 2.7895e-05 |   0.0 |  0.00
-Modify  | 10.039     | 10.039     | 10.039     |   0.0 | 21.03
-Other   |            | 0.4294     |            |       |  0.90
-
-Nlocal:    16 ave 16 max 16 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    116 ave 116 max 116 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 116
-Ave neighs/atom = 7.25
-Ave special neighs/atom = 3.75
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:47
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4 b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
deleted file mode 100644
index 320d186f80..0000000000
--- a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
+++ /dev/null
@@ -1,1167 +0,0 @@
-LAMMPS (24 Mar 2017)
-variable number	equal 2
-variable ofreq	equal 1000
-variable efreq	equal 1000
-
-units lj
-
-dimension 3
-
-newton off
-
-boundary  p p p
-
-atom_style hybrid bond ellipsoid
-atom_modify sort 0 1.0
-
-# Pair interactions require lists of neighbours to be calculated
-neighbor 1.0 bin
-neigh_modify every 1 delay 0 check yes
-
-read_data data.duplex2
-  orthogonal box = (-20 -20 -20) to (20 20 20)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  16 atoms
-  reading velocities ...
-  16 velocities
-  16 ellipsoids
-  scanning bonds ...
-  2 = max bonds/atom
-  reading bonds ...
-  13 bonds
-  2 = max # of 1-2 neighbors
-  2 = max # of 1-3 neighbors
-  4 = max # of 1-4 neighbors
-  6 = max # of special neighbors
-
-set atom * mass 3.1575
-  16 settings made for mass
-
-group all type 1 4
-16 atoms in group all
-
-# oxDNA bond interactions - FENE backbone
-bond_style oxdna2/fene
-bond_coeff * 2.0 0.25 0.7564
-
-# oxDNA pair interactions
-pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
-pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
-pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
-pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
-pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
-pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
-pair_coeff * * oxdna2/dh      0.1 1.0 0.815
-
-# NVE ensemble
-#fix 1 all nve/dot
-fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
-#fix 1 all nve/asphere
-#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
-
-timestep 1e-5
-
-#comm_style tiled
-#fix 3 all balance 10000 1.1 rcb
-
-#compute mol all chunk/atom molecule
-#compute mychunk all vcm/chunk mol
-#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
-
-#dump pos all xyz ${ofreq} traj.${number}.xyz
-
-#compute quat all property/atom quatw quati quatj quatk
-#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
-#dump_modify quat sort id
-#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
-
-compute erot all erotate/asphere
-compute ekin all ke
-compute epot all pe
-variable erot equal c_erot
-variable ekin equal c_ekin
-variable epot equal c_epot
-variable etot equal c_erot+c_ekin+c_epot
-fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
-
-#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
-#dump_modify out sort id
-#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
-
-run 1000000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 2.6274
-  ghost atom cutoff = 2.6274
-  binsize = 1.3137, bins = 31 31 31
-  6 neighbor lists, perpetual/occasional/extra = 6 0 0
-  (1) pair oxdna2/excv, perpetual
-      attributes: half, newton off
-      pair build: half/bin/newtoff
-      stencil: half/bin/3d/newtoff
-      bin: standard
-  (2) pair oxdna2/stk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (3) pair oxdna2/hbond, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (4) pair oxdna2/xstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) pair oxdna2/dh, perpetual, copy from (1)
-      attributes: half, newton off
-      pair build: copy
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 7.777 | 7.959 | 8.141 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -1.5358787 0.0096742456   -1.5262045 -7.9568629e-05 
-1000  ekin = 1.34554291364716 |  erot = 2.30525041754444 | epot = -24.3924150888896 | etot = -20.741621757698
-2000  ekin = 2.15972469811184 |  erot = 2.1628675965276 | epot = -24.3548203354875 | etot = -20.0322280408481
-3000  ekin = 3.26433550542939 |  erot = 2.76107866472087 | epot = -24.2947953202752 | etot = -18.269381150125
-4000  ekin = 1.9203212531997 |  erot = 2.133394384253 | epot = -24.234098584123 | etot = -20.1803829466703
-5000  ekin = 1.35481075814721 |  erot = 2.00854026688447 | epot = -24.1768963201279 | etot = -20.8135452950963
-6000  ekin = 2.18974627635306 |  erot = 1.73271671162436 | epot = -24.1096616118305 | etot = -20.1871986238531
-7000  ekin = 2.65472853187395 |  erot = 1.73258720631297 | epot = -24.0561118130561 | etot = -19.6687960748691
-8000  ekin = 2.51192327964357 |  erot = 2.34132844779952 | epot = -23.9708695663488 | etot = -19.1176178389058
-9000  ekin = 2.24554900802464 |  erot = 2.0522939078286 | epot = -23.874757758319 | etot = -19.5769148424658
-10000  ekin = 2.36227360512089 |  erot = 1.80185994066737 | epot = -23.7793375260418 | etot = -19.6152039802535
-11000  ekin = 2.03264234985168 |  erot = 1.68707706801736 | epot = -23.7396221351636 | etot = -20.0199027172945
-12000  ekin = 2.66329111303325 |  erot = 2.49804687909781 | epot = -23.7366995564469 | etot = -18.5753615643158
-13000  ekin = 1.89677055811531 |  erot = 2.34624821263612 | epot = -23.6591067615901 | etot = -19.4160879908387
-14000  ekin = 1.91279445145792 |  erot = 2.13129118502405 | epot = -23.6468743458148 | etot = -19.6027887093328
-15000  ekin = 2.41876331112169 |  erot = 2.07362128417238 | epot = -23.5767792498568 | etot = -19.0843946545628
-16000  ekin = 2.76615310647131 |  erot = 1.19495009524763 | epot = -23.4862363509196 | etot = -19.5251331492006
-17000  ekin = 2.45632569069911 |  erot = 2.37627186077148 | epot = -23.500787861849 | etot = -18.6681903103784
-18000  ekin = 2.18348858414473 |  erot = 2.46933014500077 | epot = -23.5223047738331 | etot = -18.8694860446876
-19000  ekin = 2.2074746303434 |  erot = 2.45349372324724 | epot = -23.4618353655003 | etot = -18.8008670119096
-20000  ekin = 2.06964129991908 |  erot = 1.80832666230414 | epot = -23.4930879797962 | etot = -19.615120017573
-21000  ekin = 2.26572194434983 |  erot = 2.76680470094409 | epot = -23.5023070260553 | etot = -18.4697803807614
-22000  ekin = 2.69295306575102 |  erot = 1.86984875574017 | epot = -23.4463493063166 | etot = -18.8835474848254
-23000  ekin = 1.99930153068661 |  erot = 2.27735339437466 | epot = -23.3493214662276 | etot = -19.0726665411663
-24000  ekin = 2.20679650752062 |  erot = 2.98147599881873 | epot = -23.273517698415 | etot = -18.0852451920757
-25000  ekin = 2.28085541692287 |  erot = 2.99165466281124 | epot = -23.2072100929465 | etot = -17.9347000132124
-26000  ekin = 1.9530124305314 |  erot = 2.81680126246586 | epot = -23.0636678500934 | etot = -18.2938541570962
-27000  ekin = 1.96948983508855 |  erot = 2.69266617300682 | epot = -22.9870601707012 | etot = -18.3249041626058
-28000  ekin = 2.02061868464074 |  erot = 2.37038530969117 | epot = -22.9383598315964 | etot = -18.5473558372645
-29000  ekin = 2.51387846128098 |  erot = 2.0265039132053 | epot = -22.888959880923 | etot = -18.3485775064367
-30000  ekin = 1.95889729807242 |  erot = 2.1170713545074 | epot = -22.7896312662562 | etot = -18.7136626136764
-31000  ekin = 1.81775203419098 |  erot = 2.326796842935 | epot = -22.7561124537192 | etot = -18.6115635765932
-32000  ekin = 1.87947265787065 |  erot = 2.0009346769358 | epot = -22.8533570528062 | etot = -18.9729497179997
-33000  ekin = 1.77435214491107 |  erot = 1.82826131933673 | epot = -22.8632647352802 | etot = -19.2606512710324
-34000  ekin = 2.27098719472917 |  erot = 3.11275511420439 | epot = -22.9527052663856 | etot = -17.5689629574521
-35000  ekin = 2.88921171289845 |  erot = 1.82538384737236 | epot = -23.0316569923336 | etot = -18.3170614320628
-36000  ekin = 2.40471013682393 |  erot = 2.59817148723643 | epot = -23.1277697887139 | etot = -18.1248881646536
-37000  ekin = 2.23499312928139 |  erot = 1.74662115184433 | epot = -23.1542126827759 | etot = -19.1725984016501
-38000  ekin = 2.13875747252781 |  erot = 3.07733571118648 | epot = -23.0916051545794 | etot = -17.8755119708651
-39000  ekin = 2.08901196654187 |  erot = 2.81975762995374 | epot = -23.0796147800379 | etot = -18.1708451835423
-40000  ekin = 2.95155149177527 |  erot = 2.19459039829335 | epot = -23.141500571363 | etot = -17.9953586812944
-41000  ekin = 2.49235596566196 |  erot = 3.45295839915509 | epot = -23.115526015811 | etot = -17.1702116509939
-42000  ekin = 2.58401591894786 |  erot = 3.0976076851145 | epot = -23.0181097727229 | etot = -17.3364861686605
-43000  ekin = 2.17593293893362 |  erot = 2.65403748718844 | epot = -22.8962504257564 | etot = -18.0662799996343
-44000  ekin = 2.34068034665607 |  erot = 3.294882771572 | epot = -22.8143844644656 | etot = -17.1788213462375
-45000  ekin = 1.87200112415306 |  erot = 3.49863859200052 | epot = -22.6989374637074 | etot = -17.3282977475538
-46000  ekin = 2.60943921333194 |  erot = 2.23170007842725 | epot = -22.5884035122493 | etot = -17.7472642204901
-47000  ekin = 1.89594756436345 |  erot = 3.4002587629387 | epot = -22.4938472923117 | etot = -17.1976409650096
-48000  ekin = 2.49339593279701 |  erot = 2.5104785556399 | epot = -22.5372062210456 | etot = -17.5333317326087
-49000  ekin = 3.2041407554348 |  erot = 2.17669016194865 | epot = -22.5688036423094 | etot = -17.1879727249259
-50000  ekin = 2.93024070185999 |  erot = 1.55416219951966 | epot = -22.6087903765995 | etot = -18.1243874752199
-51000  ekin = 2.8585759501124 |  erot = 2.69193261792584 | epot = -22.6228353253324 | etot = -17.0723267572942
-52000  ekin = 2.3079418078843 |  erot = 1.84260643306147 | epot = -22.6230480697441 | etot = -18.4724998287983
-53000  ekin = 3.1803685919024 |  erot = 1.67451273370508 | epot = -22.6834814309773 | etot = -17.8286001053698
-54000  ekin = 2.6151376953128 |  erot = 1.96091197875017 | epot = -22.7484551927013 | etot = -18.1724055186384
-55000  ekin = 3.1639577845443 |  erot = 2.86286196426802 | epot = -22.7917236196438 | etot = -16.7649038708315
-56000  ekin = 2.52994034294643 |  erot = 3.05544364249365 | epot = -22.7651844773103 | etot = -17.1798004918702
-57000  ekin = 2.40889871674401 |  erot = 3.4525690879514 | epot = -22.7113139496974 | etot = -16.849846145002
-58000  ekin = 1.9363727739706 |  erot = 2.52762778976703 | epot = -22.6468058892224 | etot = -18.1828053254848
-59000  ekin = 2.55505415922972 |  erot = 3.52385701835933 | epot = -22.6037443858311 | etot = -16.5248332082421
-60000  ekin = 2.80945252332612 |  erot = 2.88606183204889 | epot = -22.5227874119079 | etot = -16.8272730565329
-61000  ekin = 2.69750183117722 |  erot = 2.55373633146433 | epot = -22.4306469225965 | etot = -17.1794087599549
-62000  ekin = 2.74494354639602 |  erot = 2.23074517653766 | epot = -22.3675792436719 | etot = -17.3918905207383
-63000  ekin = 2.66335513293138 |  erot = 2.46159865380861 | epot = -22.3527707145482 | etot = -17.2278169278082
-64000  ekin = 2.12832019835147 |  erot = 2.78772793164811 | epot = -22.3048690294469 | etot = -17.3888208994473
-65000  ekin = 1.88429801911228 |  erot = 2.70719871478483 | epot = -22.3342736701749 | etot = -17.7427769362778
-66000  ekin = 2.77106091929282 |  erot = 1.94126620531915 | epot = -22.338257942783 | etot = -17.625930818171
-67000  ekin = 2.53561386235746 |  erot = 2.45901054739082 | epot = -22.3780784743028 | etot = -17.3834540645545
-68000  ekin = 2.9678648663671 |  erot = 1.95502711706149 | epot = -22.4420512915713 | etot = -17.5191593081427
-69000  ekin = 2.61501630036274 |  erot = 2.2429513448561 | epot = -22.3607835407198 | etot = -17.502815895501
-70000  ekin = 2.41492598760663 |  erot = 2.80885610657203 | epot = -22.2905725083407 | etot = -17.066790414162
-71000  ekin = 2.65062529541957 |  erot = 2.88868401392431 | epot = -22.2951070257787 | etot = -16.7557977164349
-72000  ekin = 2.93273744051009 |  erot = 2.82552508252073 | epot = -22.4016757930526 | etot = -16.6434132700218
-73000  ekin = 2.18922665452238 |  erot = 3.03559183860538 | epot = -22.4509770394845 | etot = -17.2261585463568
-74000  ekin = 2.16074843540078 |  erot = 2.83668185121384 | epot = -22.4374624006144 | etot = -17.4400321139998
-75000  ekin = 1.52329638473031 |  erot = 1.91520672578907 | epot = -22.5623153080324 | etot = -19.123812197513
-76000  ekin = 1.89250964827726 |  erot = 2.83358650938892 | epot = -22.6698326202442 | etot = -17.943736462578
-77000  ekin = 2.82066630152179 |  erot = 3.19779433197964 | epot = -22.7402096770599 | etot = -16.7217490435584
-78000  ekin = 2.42603824235662 |  erot = 2.82319136688957 | epot = -22.7334053911689 | etot = -17.4841757819227
-79000  ekin = 2.1571494738421 |  erot = 1.67722302323495 | epot = -22.7616861631187 | etot = -18.9273136660417
-80000  ekin = 2.3760789053548 |  erot = 2.58372913427157 | epot = -22.6889139769023 | etot = -17.729105937276
-81000  ekin = 2.73468961033338 |  erot = 1.92748741387075 | epot = -22.6388260929897 | etot = -17.9766490687856
-82000  ekin = 1.90565370838817 |  erot = 1.71715050303634 | epot = -22.5547415381056 | etot = -18.9319373266811
-83000  ekin = 1.63698443616271 |  erot = 1.88092293220519 | epot = -22.4792739412377 | etot = -18.9613665728698
-84000  ekin = 1.65571812906993 |  erot = 2.10290321918187 | epot = -22.4031972735297 | etot = -18.6445759252779
-85000  ekin = 2.40863681830855 |  erot = 2.04741059095057 | epot = -22.321221903585 | etot = -17.8651744943259
-86000  ekin = 2.50560893716733 |  erot = 1.80624308622105 | epot = -22.3789065133115 | etot = -18.0670544899231
-87000  ekin = 2.13576456371582 |  erot = 1.97115993651017 | epot = -22.4335511413526 | etot = -18.3266266411266
-88000  ekin = 1.74897318407528 |  erot = 2.37233945814529 | epot = -22.4142028246849 | etot = -18.2928901824643
-89000  ekin = 1.85559683216276 |  erot = 3.29559734355419 | epot = -22.4519626048678 | etot = -17.3007684291509
-90000  ekin = 2.22181579992018 |  erot = 2.33948779846394 | epot = -22.5289826258985 | etot = -17.9676790275144
-91000  ekin = 2.40596540834273 |  erot = 3.11545124680293 | epot = -22.4975752624166 | etot = -16.9761586072709
-92000  ekin = 2.6773157744569 |  erot = 3.00279439655287 | epot = -22.4834827179575 | etot = -16.8033725469477
-93000  ekin = 3.0427813598525 |  erot = 3.03722776158512 | epot = -22.4121259471479 | etot = -16.3321168257103
-94000  ekin = 3.20507830840023 |  erot = 1.86440047317737 | epot = -22.5079833350679 | etot = -17.4385045534903
-95000  ekin = 3.4839955648833 |  erot = 2.87934575393031 | epot = -22.5675869456428 | etot = -16.2042456268292
-96000  ekin = 2.8873631080951 |  erot = 2.38554372248299 | epot = -22.5453635283434 | etot = -17.2724566977653
-97000  ekin = 1.92899149350272 |  erot = 2.09886479790579 | epot = -22.5208382020819 | etot = -18.4929819106733
-98000  ekin = 2.21420868967462 |  erot = 3.66528252896999 | epot = -22.4426781355708 | etot = -16.5631869169262
-99000  ekin = 1.98238051924192 |  erot = 2.77358159119584 | epot = -22.3579409961467 | etot = -17.6019788857089
-100000  ekin = 1.80278462349605 |  erot = 2.65457154995031 | epot = -22.2926900475079 | etot = -17.8353338740616
-101000  ekin = 2.14042196591663 |  erot = 2.38610603254675 | epot = -22.2789462117326 | etot = -17.7524182132692
-102000  ekin = 1.54923043145398 |  erot = 2.30485616158943 | epot = -22.27519637673 | etot = -18.4211097836866
-103000  ekin = 1.66618004359352 |  erot = 2.82192794888076 | epot = -22.3284746660305 | etot = -17.8403666735562
-104000  ekin = 1.8840390723585 |  erot = 3.37607054348826 | epot = -22.4068162519772 | etot = -17.1467066361304
-105000  ekin = 2.08970806137592 |  erot = 2.01278733908098 | epot = -22.450865561264 | etot = -18.3483701608071
-106000  ekin = 2.87186619049714 |  erot = 1.95029477179727 | epot = -22.46479383237 | etot = -17.6426328700756
-107000  ekin = 2.28516102595382 |  erot = 1.55115426482474 | epot = -22.420448971169 | etot = -18.5841336803904
-108000  ekin = 2.4440862469061 |  erot = 1.71323205815914 | epot = -22.4934628688132 | etot = -18.336144563748
-109000  ekin = 2.33376449416318 |  erot = 2.92962175925398 | epot = -22.4792154966925 | etot = -17.2158292432753
-110000  ekin = 2.7815613020599 |  erot = 2.36483486971455 | epot = -22.4384263756783 | etot = -17.2920302039039
-111000  ekin = 2.32472851347632 |  erot = 2.09554567134106 | epot = -22.3756448055424 | etot = -17.955370620725
-112000  ekin = 2.91126509700492 |  erot = 1.82787812400381 | epot = -22.2278235937356 | etot = -17.4886803727269
-113000  ekin = 2.82522334536064 |  erot = 1.67936756938672 | epot = -22.2030639545535 | etot = -17.6984730398062
-114000  ekin = 3.42964629994365 |  erot = 2.67287683722422 | epot = -22.3274259722919 | etot = -16.224902835124
-115000  ekin = 3.0542495603856 |  erot = 1.72370226125567 | epot = -22.3530732875163 | etot = -17.575121465875
-116000  ekin = 3.19934505541307 |  erot = 3.20304074939431 | epot = -22.4112422200445 | etot = -16.0088564152371
-117000  ekin = 3.03942349360439 |  erot = 2.40720645224432 | epot = -22.3646852618703 | etot = -16.9180553160216
-118000  ekin = 3.21704225120818 |  erot = 1.46425401673932 | epot = -22.2864155249032 | etot = -17.6051192569557
-119000  ekin = 2.33989996826882 |  erot = 3.07668030790319 | epot = -22.2283862990246 | etot = -16.8118060228526
-120000  ekin = 1.93772242476321 |  erot = 2.20130457047854 | epot = -22.1620199969907 | etot = -18.022993001749
-121000  ekin = 1.94013950333198 |  erot = 3.08987281123524 | epot = -22.1565667857742 | etot = -17.126554471207
-122000  ekin = 1.68663003450368 |  erot = 1.73461876453175 | epot = -22.2565715090021 | etot = -18.8353227099667
-123000  ekin = 1.72841976989173 |  erot = 2.32750063038672 | epot = -22.3665160016578 | etot = -18.3105956013793
-124000  ekin = 2.73468934475335 |  erot = 1.93313584543738 | epot = -22.378088078826 | etot = -17.7102628886353
-125000  ekin = 2.77507735763211 |  erot = 1.95244582221335 | epot = -22.3863676939847 | etot = -17.6588445141392
-126000  ekin = 2.04549959008918 |  erot = 1.485897173428 | epot = -22.4226219879524 | etot = -18.8912252244352
-127000  ekin = 1.86410777734907 |  erot = 1.58829497411524 | epot = -22.4027380289015 | etot = -18.9503352774372
-128000  ekin = 1.63329448006254 |  erot = 1.88032753965974 | epot = -22.3918784566533 | etot = -18.878256436931
-129000  ekin = 2.51522192674941 |  erot = 2.38822614049101 | epot = -22.396225517968 | etot = -17.4927774507275
-130000  ekin = 1.61191166117177 |  erot = 2.81688343133434 | epot = -22.341565060394 | etot = -17.9127699678879
-131000  ekin = 2.29569747740708 |  erot = 2.28868769760912 | epot = -22.2184139794107 | etot = -17.6340288043945
-132000  ekin = 2.97393694467802 |  erot = 2.36135254406015 | epot = -22.1410658382525 | etot = -16.8057763495143
-133000  ekin = 2.01357676743256 |  erot = 2.125828419273 | epot = -22.1312019600638 | etot = -17.9917967733582
-134000  ekin = 1.56048037412857 |  erot = 2.84208065022547 | epot = -22.0682869067536 | etot = -17.6657258823995
-135000  ekin = 1.79811942319758 |  erot = 2.40075843487508 | epot = -22.0853555614258 | etot = -17.8864777033531
-136000  ekin = 1.63631696233012 |  erot = 2.13166656554855 | epot = -22.0879615470249 | etot = -18.3199780191462
-137000  ekin = 2.36040439516093 |  erot = 1.937854866329 | epot = -22.1234845924018 | etot = -17.8252253309118
-138000  ekin = 2.94591421775872 |  erot = 1.58866111192914 | epot = -22.1783168558241 | etot = -17.6437415261363
-139000  ekin = 3.17560544591524 |  erot = 2.24933296614108 | epot = -22.2966418842012 | etot = -16.8717034721449
-140000  ekin = 2.24781162873235 |  erot = 3.05934139328613 | epot = -22.4681108223249 | etot = -17.1609578003064
-141000  ekin = 1.89078628042285 |  erot = 3.13246933186327 | epot = -22.730922227649 | etot = -17.7076666153629
-142000  ekin = 2.51033894675651 |  erot = 2.49428943091232 | epot = -22.8404165502847 | etot = -17.8357881726159
-143000  ekin = 2.40438807844298 |  erot = 2.71461817456284 | epot = -22.8207220890737 | etot = -17.7017158360679
-144000  ekin = 1.93074254879639 |  erot = 2.67760329085926 | epot = -22.6973757396236 | etot = -18.0890298999679
-145000  ekin = 1.82681171280412 |  erot = 1.73674169257735 | epot = -22.6628534675149 | etot = -19.0993000621335
-146000  ekin = 2.42423538163981 |  erot = 2.09087762946581 | epot = -22.6072904345337 | etot = -18.0921774234281
-147000  ekin = 1.44607209743073 |  erot = 1.88012639062509 | epot = -22.5001275476876 | etot = -19.1739290596318
-148000  ekin = 1.9349809420382 |  erot = 2.57774390934156 | epot = -22.4721664357448 | etot = -17.959441584365
-149000  ekin = 2.023702656427 |  erot = 3.31795764580129 | epot = -22.3745153112138 | etot = -17.0328550089855
-150000  ekin = 2.48124469844233 |  erot = 2.68185291250581 | epot = -22.1950329772129 | etot = -17.0319353662648
-151000  ekin = 2.76319440452883 |  erot = 1.87355938382631 | epot = -21.986630645846 | etot = -17.3498768574909
-152000  ekin = 2.77453107952051 |  erot = 1.77016628972892 | epot = -21.7977108098427 | etot = -17.2530134405933
-153000  ekin = 3.08827014622555 |  erot = 1.80976617511255 | epot = -21.6910123469877 | etot = -16.7929760256496
-154000  ekin = 2.32051051770812 |  erot = 2.18004857730092 | epot = -21.6406733490633 | etot = -17.1401142540543
-155000  ekin = 1.95766873014157 |  erot = 2.67064554154833 | epot = -21.7315745360126 | etot = -17.1032602643227
-156000  ekin = 2.69830438989808 |  erot = 2.24987636164773 | epot = -21.7962907570244 | etot = -16.8481100054785
-157000  ekin = 3.89340900899948 |  erot = 2.7373331532516 | epot = -21.8437967078712 | etot = -15.2130545456202
-158000  ekin = 2.84737207100032 |  erot = 2.70157958556584 | epot = -21.878244439129 | etot = -16.3292927825628
-159000  ekin = 3.1312088996125 |  erot = 2.65375527842549 | epot = -21.8350703791794 | etot = -16.0501062011414
-160000  ekin = 2.54316260055465 |  erot = 3.27950281054044 | epot = -21.8888467298127 | etot = -16.0661813187176
-161000  ekin = 2.49549109190182 |  erot = 2.45028506429479 | epot = -21.8585593359585 | etot = -16.9127831797619
-162000  ekin = 3.05200272259996 |  erot = 2.59164651185652 | epot = -21.8439750046483 | etot = -16.2003257701918
-163000  ekin = 3.30374280597554 |  erot = 2.2419396021266 | epot = -21.8717863279577 | etot = -16.3261039198555
-164000  ekin = 3.53081155329031 |  erot = 2.22419322011391 | epot = -21.8162094860939 | etot = -16.0612047126897
-165000  ekin = 2.48919804649028 |  erot = 2.59105984700638 | epot = -21.7395563276218 | etot = -16.6592984341251
-166000  ekin = 2.14880495285182 |  erot = 3.05770380831397 | epot = -21.6850566092694 | etot = -16.4785478481036
-167000  ekin = 2.78181890034675 |  erot = 2.90402826001926 | epot = -21.5971987360122 | etot = -15.9113515756462
-168000  ekin = 1.74726050172142 |  erot = 2.76898886506122 | epot = -21.490566893224 | etot = -16.9743175264413
-169000  ekin = 1.8134289785439 |  erot = 2.45780601602371 | epot = -21.4680710936728 | etot = -17.1968360991052
-170000  ekin = 1.69364478039988 |  erot = 2.87928997590298 | epot = -21.4668806356843 | etot = -16.8939458793814
-171000  ekin = 2.14879448642638 |  erot = 1.61442218455816 | epot = -21.3172106430715 | etot = -17.5539939720869
-172000  ekin = 1.68431962963431 |  erot = 2.36087816720613 | epot = -21.1539793618528 | etot = -17.1087815650124
-173000  ekin = 2.05784071815669 |  erot = 2.17142592689102 | epot = -21.0926393885011 | etot = -16.8633727434534
-174000  ekin = 2.49611606122761 |  erot = 3.09665692560808 | epot = -20.9460348670979 | etot = -15.3532618802622
-175000  ekin = 2.61673440848865 |  erot = 2.88720331620429 | epot = -20.8525764091519 | etot = -15.348638684459
-176000  ekin = 2.16190213742438 |  erot = 2.672518464664 | epot = -20.8442274508468 | etot = -16.0098068487584
-177000  ekin = 2.83236394902012 |  erot = 2.81489135382761 | epot = -20.925759607446 | etot = -15.2785043045983
-178000  ekin = 3.17804494293424 |  erot = 1.88346790512582 | epot = -21.0677853312893 | etot = -16.0062724832292
-179000  ekin = 2.33267448424064 |  erot = 2.85731052069526 | epot = -21.1181390109479 | etot = -15.9281540060119
-180000  ekin = 2.39061531304011 |  erot = 2.93791308775999 | epot = -21.1146449531392 | etot = -15.7861165523391
-181000  ekin = 2.79990361156737 |  erot = 3.2889152028739 | epot = -21.0834365456108 | etot = -14.9946177311695
-182000  ekin = 3.02616507870526 |  erot = 2.33414327030088 | epot = -21.0600545808658 | etot = -15.6997462318597
-183000  ekin = 2.45290144562467 |  erot = 2.21141617846261 | epot = -20.911866387917 | etot = -16.2475487638297
-184000  ekin = 2.56560515060991 |  erot = 2.7739810551646 | epot = -20.6989716212004 | etot = -15.3593854154259
-185000  ekin = 2.17586139274635 |  erot = 1.95913868179524 | epot = -20.5985322435751 | etot = -16.4635321690335
-186000  ekin = 2.07303044902321 |  erot = 3.15122816264526 | epot = -20.4965070011281 | etot = -15.2722483894597
-187000  ekin = 2.44319481307615 |  erot = 1.92784212082445 | epot = -20.5124982035642 | etot = -16.1414612696636
-188000  ekin = 2.28870879542405 |  erot = 2.8871121346017 | epot = -20.6323506293031 | etot = -15.4565296992773
-189000  ekin = 1.6804728023783 |  erot = 3.05535775765803 | epot = -20.6378101864803 | etot = -15.901979626444
-190000  ekin = 1.97184665786398 |  erot = 2.95271452778011 | epot = -20.6376534135265 | etot = -15.7130922278824
-191000  ekin = 2.30626539196432 |  erot = 2.64854814117513 | epot = -20.6037323569657 | etot = -15.6489188238262
-192000  ekin = 3.54976671698923 |  erot = 2.91090725702116 | epot = -20.552550883251 | etot = -14.0918769092406
-193000  ekin = 2.63938438600417 |  erot = 3.14409581682355 | epot = -20.5892132844066 | etot = -14.8057330815789
-194000  ekin = 2.67903757365036 |  erot = 2.30768318132376 | epot = -20.4753987179502 | etot = -15.488677962976
-195000  ekin = 1.89257615363316 |  erot = 2.64508051866103 | epot = -20.4197880125066 | etot = -15.8821313402124
-196000  ekin = 2.29151017050608 |  erot = 2.32636787964873 | epot = -20.4440761857987 | etot = -15.8261981356439
-197000  ekin = 2.48344018982904 |  erot = 2.56544009419632 | epot = -20.516126938087 | etot = -15.4672466540617
-198000  ekin = 2.01386156849612 |  erot = 1.52779840514975 | epot = -20.537160292649 | etot = -16.9955003190031
-199000  ekin = 1.50729232131931 |  erot = 2.19878124720505 | epot = -20.5584754599869 | etot = -16.8524018914625
-200000  ekin = 1.64236235330806 |  erot = 2.46736341802313 | epot = -20.5387924113649 | etot = -16.4290666400337
-201000  ekin = 2.627066472214 |  erot = 2.61321940355395 | epot = -20.6089911163939 | etot = -15.368705240626
-202000  ekin = 2.3129503751722 |  erot = 2.54874856259559 | epot = -20.6732219111123 | etot = -15.8115229733446
-203000  ekin = 1.63961009223968 |  erot = 2.10835750593015 | epot = -20.7002051999768 | etot = -16.9522376018069
-204000  ekin = 2.0558049009161 |  erot = 1.9161072834091 | epot = -20.8154459612946 | etot = -16.8435337769694
-205000  ekin = 3.0460386009419 |  erot = 3.24233043438683 | epot = -20.9297600758299 | etot = -14.6413910405012
-206000  ekin = 2.56775422508359 |  erot = 2.20992928465511 | epot = -21.0192669133083 | etot = -16.2415834035696
-207000  ekin = 3.46597997409567 |  erot = 2.48427015330086 | epot = -21.1513990264881 | etot = -15.2011488990916
-208000  ekin = 2.51159742060494 |  erot = 2.22948191756654 | epot = -21.2942477400986 | etot = -16.5531684019271
-209000  ekin = 3.78908644724162 |  erot = 2.17660742759512 | epot = -21.4499700336111 | etot = -15.4842761587744
-210000  ekin = 3.03133642129733 |  erot = 2.21595982730354 | epot = -21.5648709610245 | etot = -16.3175747124237
-211000  ekin = 1.63075564056512 |  erot = 2.12650387194817 | epot = -21.6099552204253 | etot = -17.852695707912
-212000  ekin = 2.67694215598975 |  erot = 2.47186432110288 | epot = -21.8481434074352 | etot = -16.6993369303426
-213000  ekin = 2.70688282449408 |  erot = 1.96666534072977 | epot = -22.1170796448084 | etot = -17.4435314795845
-214000  ekin = 2.88993887341391 |  erot = 3.16392577542177 | epot = -22.1689844550676 | etot = -16.1151198062319
-215000  ekin = 2.59587305508912 |  erot = 1.84775314628516 | epot = -22.0799472955548 | etot = -17.6363210941805
-216000  ekin = 2.59710486720184 |  erot = 2.7917023259487 | epot = -22.123050002636 | etot = -16.7342428094855
-217000  ekin = 2.50043297628753 |  erot = 1.89569946865143 | epot = -22.2232445790842 | etot = -17.8271121341452
-218000  ekin = 2.42608117861514 |  erot = 2.42380011003406 | epot = -22.2442965405807 | etot = -17.3944152519315
-219000  ekin = 2.31038806457502 |  erot = 2.64910389607573 | epot = -22.2862511100887 | etot = -17.326759149438
-220000  ekin = 1.69989575631519 |  erot = 2.34717348369245 | epot = -22.293625326138 | etot = -18.2465560861304
-221000  ekin = 2.0597604328414 |  erot = 2.46172578709591 | epot = -22.2693428350923 | etot = -17.747856615155
-222000  ekin = 1.56778478035701 |  erot = 2.12765432596981 | epot = -22.1639011265164 | etot = -18.4684620201895
-223000  ekin = 1.84761048251748 |  erot = 1.88006246465219 | epot = -22.0932628941084 | etot = -18.3655899469387
-224000  ekin = 2.59436846043989 |  erot = 2.94714248251078 | epot = -22.1101977210218 | etot = -16.5686867780712
-225000  ekin = 3.30446830369106 |  erot = 2.86069163428056 | epot = -22.113033571733 | etot = -15.9478736337614
-226000  ekin = 3.03148439961004 |  erot = 2.08577158411852 | epot = -22.1515480756286 | etot = -17.0342920919
-227000  ekin = 2.52473737037051 |  erot = 3.15152330374791 | epot = -22.2272979755787 | etot = -16.5510373014602
-228000  ekin = 2.32773029487821 |  erot = 2.67887550863526 | epot = -22.328984615758 | etot = -17.3223788122445
-229000  ekin = 2.908632187774 |  erot = 2.89972099244785 | epot = -22.4590990625922 | etot = -16.6507458823704
-230000  ekin = 2.30901008738396 |  erot = 3.48892218468537 | epot = -22.5811133380348 | etot = -16.7831810659655
-231000  ekin = 2.09445974553367 |  erot = 3.10137653837904 | epot = -22.6273628788263 | etot = -17.4315265949136
-232000  ekin = 2.11347252785341 |  erot = 1.99214840222577 | epot = -22.6148559367411 | etot = -18.509235006662
-233000  ekin = 2.31469131808301 |  erot = 2.82702779723523 | epot = -22.5734680782721 | etot = -17.4317489629539
-234000  ekin = 2.08691986790862 |  erot = 2.09006771152618 | epot = -22.5768924885421 | etot = -18.3999049091073
-235000  ekin = 2.43602788311011 |  erot = 2.79756094595937 | epot = -22.5841308018507 | etot = -17.3505419727812
-236000  ekin = 2.93232983655882 |  erot = 3.05945149934942 | epot = -22.501128172066 | etot = -16.5093468361577
-237000  ekin = 3.2236915032749 |  erot = 3.26810349425041 | epot = -22.3869936414795 | etot = -15.8951986439542
-238000  ekin = 2.46749959233529 |  erot = 2.31630563795609 | epot = -22.3210409459326 | etot = -17.5372357156412
-239000  ekin = 2.10887317283391 |  erot = 2.47562990634414 | epot = -22.3008221039948 | etot = -17.7163190248167
-240000  ekin = 1.76092230208337 |  erot = 2.62077674301801 | epot = -22.2503883436817 | etot = -17.8686892985803
-241000  ekin = 1.93966929781469 |  erot = 1.41063904300122 | epot = -22.2367099354245 | etot = -18.8864015946086
-242000  ekin = 3.03220831764684 |  erot = 2.02809667614525 | epot = -22.2529237351146 | etot = -17.1926187413225
-243000  ekin = 2.84396619393303 |  erot = 1.7910064306681 | epot = -22.276868026587 | etot = -17.6418954019859
-244000  ekin = 1.94630661585722 |  erot = 2.3722540427007 | epot = -22.2272698315536 | etot = -17.9087091729957
-245000  ekin = 2.21268964174709 |  erot = 2.75899365563148 | epot = -22.1926413343767 | etot = -17.2209580369981
-246000  ekin = 2.07547606015104 |  erot = 2.22089229769684 | epot = -22.1194718227511 | etot = -17.8231034649033
-247000  ekin = 1.58341517009487 |  erot = 3.06778333448389 | epot = -22.0033087190278 | etot = -17.352110214449
-248000  ekin = 2.13651389755269 |  erot = 3.53502738921422 | epot = -21.8495423719647 | etot = -16.1780010851978
-249000  ekin = 2.17149547481658 |  erot = 3.29316066315612 | epot = -21.8139336708841 | etot = -16.3492775329114
-250000  ekin = 2.39365756609178 |  erot = 2.39580124119371 | epot = -21.7677335444041 | etot = -16.9782747371186
-251000  ekin = 1.2828204065042 |  erot = 2.24293125468608 | epot = -21.720961335271 | etot = -18.1952096740807
-252000  ekin = 1.76792385357404 |  erot = 2.13774913157991 | epot = -21.7157436468391 | etot = -17.8100706616851
-253000  ekin = 2.15844787240193 |  erot = 2.599108391401 | epot = -21.6939194867274 | etot = -16.9363632229245
-254000  ekin = 2.46988601582316 |  erot = 1.99393049965303 | epot = -21.6738244724958 | etot = -17.2100079570196
-255000  ekin = 2.31014544453096 |  erot = 2.03140480982291 | epot = -21.6888108217888 | etot = -17.3472605674349
-256000  ekin = 2.90570988017011 |  erot = 2.61779108741194 | epot = -21.6304219101589 | etot = -16.1069209425768
-257000  ekin = 2.87227426842453 |  erot = 2.08598550349755 | epot = -21.5998306482427 | etot = -16.6415708763207
-258000  ekin = 2.06365418401471 |  erot = 2.33103720962374 | epot = -21.5019981919812 | etot = -17.1073067983428
-259000  ekin = 2.23106413601667 |  erot = 2.88992031738565 | epot = -21.4929751490586 | etot = -16.3719906956563
-260000  ekin = 2.49064109684832 |  erot = 2.38083177290805 | epot = -21.4659963710748 | etot = -16.5945235013184
-261000  ekin = 2.09140199827798 |  erot = 2.40209752473159 | epot = -21.4076397934529 | etot = -16.9141402704434
-262000  ekin = 2.36091906713391 |  erot = 2.66652490187928 | epot = -21.3599371255921 | etot = -16.3324931565789
-263000  ekin = 2.21121697961579 |  erot = 2.73059503173093 | epot = -21.4187723839514 | etot = -16.4769603726047
-264000  ekin = 2.28961718487932 |  erot = 2.75455515229635 | epot = -21.370776058554 | etot = -16.3266037213784
-265000  ekin = 1.71596203334806 |  erot = 1.76104932073226 | epot = -21.2034176623528 | etot = -17.7264063082725
-266000  ekin = 2.51424635704546 |  erot = 2.09488481391075 | epot = -21.081865694267 | etot = -16.4727345233107
-267000  ekin = 2.813938959256 |  erot = 2.1423270532825 | epot = -21.1259701200623 | etot = -16.1697041075238
-268000  ekin = 3.10191854871685 |  erot = 2.80451383793942 | epot = -21.0933882633303 | etot = -15.186955876674
-269000  ekin = 3.52550118014124 |  erot = 2.35973600910592 | epot = -21.0585255577117 | etot = -15.1732883684646
-270000  ekin = 3.50731584216641 |  erot = 1.86855463358786 | epot = -21.0937109465411 | etot = -15.7178404707868
-271000  ekin = 3.56753314536821 |  erot = 2.08234599715571 | epot = -21.171785030296 | etot = -15.5219058877721
-272000  ekin = 2.43382567191708 |  erot = 3.09591378837426 | epot = -21.2584464912719 | etot = -15.7287070309805
-273000  ekin = 2.38177594135517 |  erot = 3.14028416008422 | epot = -21.3418702267284 | etot = -15.819810125289
-274000  ekin = 2.46408091312733 |  erot = 2.01407385193325 | epot = -21.3513679347442 | etot = -16.8732131696836
-275000  ekin = 2.45653813926169 |  erot = 3.0678001028164 | epot = -21.3769507768007 | etot = -15.8526125347226
-276000  ekin = 2.79508720985829 |  erot = 2.87011619931109 | epot = -21.3368600634474 | etot = -15.671656654278
-277000  ekin = 2.21394865880381 |  erot = 2.19504097967887 | epot = -21.2606836087454 | etot = -16.8516939702627
-278000  ekin = 2.75723780567064 |  erot = 3.25107227641374 | epot = -21.1755556732392 | etot = -15.1672455911548
-279000  ekin = 2.50738352588257 |  erot = 1.80312795092015 | epot = -21.119949297869 | etot = -16.8094378210663
-280000  ekin = 2.35419479075042 |  erot = 1.75661043515291 | epot = -21.0612865360218 | etot = -16.9504813101184
-281000  ekin = 2.54091624756361 |  erot = 2.29354970120308 | epot = -21.0950091005498 | etot = -16.2605431517831
-282000  ekin = 2.99712896075656 |  erot = 2.42094408338315 | epot = -21.2220089565005 | etot = -15.8039359123608
-283000  ekin = 2.56696810638689 |  erot = 2.10068113035835 | epot = -21.4031615768381 | etot = -16.7355123400928
-284000  ekin = 2.50149529685552 |  erot = 3.1289485057255 | epot = -21.5256946024496 | etot = -15.8952507998685
-285000  ekin = 2.42104861452631 |  erot = 1.77738842506871 | epot = -21.6343236201922 | etot = -17.4358865805972
-286000  ekin = 1.95703367775988 |  erot = 2.02947038358404 | epot = -21.6777606373855 | etot = -17.6912565760416
-287000  ekin = 2.563069553437 |  erot = 2.57822888294094 | epot = -21.709678841217 | etot = -16.5683804048391
-288000  ekin = 2.18408141161779 |  erot = 1.69724000161795 | epot = -21.6059228036046 | etot = -17.7246013903688
-289000  ekin = 2.32975723406078 |  erot = 1.67288237726622 | epot = -21.4690249265466 | etot = -17.4663853152196
-290000  ekin = 2.22773933829103 |  erot = 2.00568808096403 | epot = -21.3936416309444 | etot = -17.1602142116893
-291000  ekin = 1.46140048209222 |  erot = 2.68187349132486 | epot = -21.3203096611521 | etot = -17.1770356877351
-292000  ekin = 2.07752653885401 |  erot = 2.42042811850752 | epot = -21.222571015269 | etot = -16.7246163579075
-293000  ekin = 2.14598735312316 |  erot = 1.87232699516306 | epot = -21.150311210566 | etot = -17.1319968622798
-294000  ekin = 2.15249843510191 |  erot = 2.17548638187735 | epot = -21.1209057143322 | etot = -16.7929208973529
-295000  ekin = 2.1341724680407 |  erot = 2.31578295657372 | epot = -21.023273761855 | etot = -16.5733183372406
-296000  ekin = 1.52381700282725 |  erot = 2.92433462308731 | epot = -21.0839283123443 | etot = -16.6357766864297
-297000  ekin = 2.45165869902148 |  erot = 2.17953392904489 | epot = -21.0491333291916 | etot = -16.4179407011253
-298000  ekin = 1.77920935759372 |  erot = 2.01251348063453 | epot = -21.0971977522748 | etot = -17.3054749140466
-299000  ekin = 1.87538650376615 |  erot = 1.65135039658662 | epot = -21.119277949862 | etot = -17.5925410495092
-300000  ekin = 2.31670567519938 |  erot = 1.51090264865399 | epot = -21.1789130994511 | etot = -17.3513047755977
-301000  ekin = 2.00567209290794 |  erot = 2.01270349508403 | epot = -21.2857234594099 | etot = -17.2673478714179
-302000  ekin = 1.78598592595272 |  erot = 2.23540554928791 | epot = -21.3905601140029 | etot = -17.3691686387623
-303000  ekin = 2.73278841880506 |  erot = 1.64856089415774 | epot = -21.3608973804115 | etot = -16.9795480674487
-304000  ekin = 2.5809493598196 |  erot = 2.00558555026354 | epot = -21.400198286629 | etot = -16.8136633765459
-305000  ekin = 2.43647384348742 |  erot = 2.28275438290433 | epot = -21.3863075230184 | etot = -16.6670792966266
-306000  ekin = 2.14332823539982 |  erot = 2.43384616344108 | epot = -21.3233075109442 | etot = -16.7461331121033
-307000  ekin = 3.21424191196813 |  erot = 3.27591538479567 | epot = -21.289790084126 | etot = -14.7996327873622
-308000  ekin = 3.45838026839177 |  erot = 2.68116130354005 | epot = -21.3419403426811 | etot = -15.2023987707493
-309000  ekin = 2.38041738433959 |  erot = 2.92081370932153 | epot = -21.4463399141034 | etot = -16.1451088204423
-310000  ekin = 2.50977269558789 |  erot = 2.34824464102404 | epot = -21.4648074532888 | etot = -16.6067901166769
-311000  ekin = 2.5748862881926 |  erot = 2.29375467353798 | epot = -21.5151382155269 | etot = -16.6464972537963
-312000  ekin = 2.09623150906876 |  erot = 2.93795890592973 | epot = -21.6260240426366 | etot = -16.5918336276381
-313000  ekin = 1.81844997291941 |  erot = 2.28463898505894 | epot = -21.6999003790643 | etot = -17.596811421086
-314000  ekin = 2.32283241742321 |  erot = 2.19580475273395 | epot = -21.6870491287185 | etot = -17.1684119585614
-315000  ekin = 1.84546653836013 |  erot = 2.13886071139629 | epot = -21.7312132691438 | etot = -17.7468860193874
-316000  ekin = 2.1657114199577 |  erot = 3.03124199276296 | epot = -21.7430929234306 | etot = -16.54613951071
-317000  ekin = 2.42793755919909 |  erot = 3.57187833839243 | epot = -21.8303487369249 | etot = -15.8305328393334
-318000  ekin = 2.31418145055206 |  erot = 3.02858542885927 | epot = -21.9347898317926 | etot = -16.5920229523813
-319000  ekin = 2.35032973997068 |  erot = 3.16078759112676 | epot = -22.0387665246751 | etot = -16.5276491935776
-320000  ekin = 1.78202525445684 |  erot = 2.83297321443626 | epot = -22.1187616541783 | etot = -17.5037631852852
-321000  ekin = 2.87441941784728 |  erot = 2.26223197636946 | epot = -22.1065455913123 | etot = -16.9698941970956
-322000  ekin = 2.79013397204362 |  erot = 2.68769432639937 | epot = -22.1121405540936 | etot = -16.6343122556507
-323000  ekin = 2.070121980457 |  erot = 2.31830584817614 | epot = -22.1539458855415 | etot = -17.7655180569083
-324000  ekin = 2.58383941134684 |  erot = 2.58296807603305 | epot = -22.1539753505052 | etot = -16.9871678631253
-325000  ekin = 3.43451304817783 |  erot = 2.45405386180799 | epot = -21.938960387404 | etot = -16.0503934774182
-326000  ekin = 3.49680929786584 |  erot = 2.85196633398114 | epot = -21.8204400999953 | etot = -15.4716644681484
-327000  ekin = 2.68799300805475 |  erot = 2.21805195956658 | epot = -21.7892073548558 | etot = -16.8831623872344
-328000  ekin = 1.81477491971657 |  erot = 2.35891534842887 | epot = -21.7275637950057 | etot = -17.5538735268603
-329000  ekin = 2.19319322627005 |  erot = 2.40717958919079 | epot = -21.6826095784948 | etot = -17.0822367630339
-330000  ekin = 1.87131927244382 |  erot = 2.03694340108432 | epot = -21.5934239674848 | etot = -17.6851612939566
-331000  ekin = 2.37197683084607 |  erot = 1.80087022346347 | epot = -21.5641185835514 | etot = -17.3912715292419
-332000  ekin = 1.69601394569049 |  erot = 2.54947032294377 | epot = -21.5986464339748 | etot = -17.3531621653406
-333000  ekin = 1.59867443991714 |  erot = 2.14911483871163 | epot = -21.7162173059518 | etot = -17.968428027323
-334000  ekin = 2.25811733625553 |  erot = 2.62323988136569 | epot = -21.7749416190679 | etot = -16.8935844014467
-335000  ekin = 2.93433632601273 |  erot = 3.10350297573265 | epot = -21.7966831809595 | etot = -15.7588438792141
-336000  ekin = 2.76337640462581 |  erot = 2.54930710489016 | epot = -21.7180312833467 | etot = -16.4053477738307
-337000  ekin = 3.19235531401951 |  erot = 3.871461468741 | epot = -21.8022396262892 | etot = -14.7384228435286
-338000  ekin = 2.33305125173567 |  erot = 2.13094194678888 | epot = -21.8068682042896 | etot = -17.3428750057651
-339000  ekin = 1.71673308889604 |  erot = 2.30964121170971 | epot = -21.7941224580796 | etot = -17.7677481574738
-340000  ekin = 1.59424151294027 |  erot = 3.16324993863714 | epot = -21.7679173396748 | etot = -17.0104258880974
-341000  ekin = 1.69465464335694 |  erot = 3.18694861883741 | epot = -21.7067352043109 | etot = -16.8251319421166
-342000  ekin = 1.81243763026219 |  erot = 2.60448215582795 | epot = -21.5993126794634 | etot = -17.1823928933732
-343000  ekin = 3.08243814047349 |  erot = 2.92174663333229 | epot = -21.5855979229594 | etot = -15.5814131491537
-344000  ekin = 2.94964594107349 |  erot = 3.10231272046814 | epot = -21.5506154266351 | etot = -15.4986567650935
-345000  ekin = 2.34525111670595 |  erot = 2.88045261854214 | epot = -21.530734043011 | etot = -16.3050303077629
-346000  ekin = 2.03136740406842 |  erot = 3.44352096435561 | epot = -21.4703041890966 | etot = -15.9954158206726
-347000  ekin = 2.34515762081498 |  erot = 1.91414074840887 | epot = -21.3488386855954 | etot = -17.0895403163716
-348000  ekin = 2.76763212340836 |  erot = 2.78035348102326 | epot = -21.3102796687364 | etot = -15.7622940643048
-349000  ekin = 2.29342234253801 |  erot = 3.14526664575919 | epot = -21.3922932631024 | etot = -15.9536042748052
-350000  ekin = 2.17828641691343 |  erot = 2.38211689163937 | epot = -21.3570978647003 | etot = -16.7966945561475
-351000  ekin = 2.2787342054874 |  erot = 2.85568682453816 | epot = -21.3165609660186 | etot = -16.182139935993
-352000  ekin = 2.70894563927919 |  erot = 2.77656375044279 | epot = -21.3565059314145 | etot = -15.8709965416925
-353000  ekin = 1.74748047732916 |  erot = 2.14191122851258 | epot = -21.3195625770357 | etot = -17.430170871194
-354000  ekin = 2.30492780756569 |  erot = 2.37159952583724 | epot = -21.3742968901642 | etot = -16.6977695567613
-355000  ekin = 2.32493886573113 |  erot = 2.38411746089986 | epot = -21.339340741587 | etot = -16.630284414956
-356000  ekin = 2.97496495432681 |  erot = 2.99166555175531 | epot = -21.2468948072712 | etot = -15.2802643011891
-357000  ekin = 1.79541671946026 |  erot = 2.13971792108731 | epot = -21.2216819829681 | etot = -17.2865473424205
-358000  ekin = 2.06637919290965 |  erot = 1.90765307155781 | epot = -21.2447441674953 | etot = -17.2707119030279
-359000  ekin = 2.02344077580052 |  erot = 2.11726163321539 | epot = -21.2183688961264 | etot = -17.0776664871105
-360000  ekin = 2.64012587839158 |  erot = 2.43776362828977 | epot = -21.1472477161847 | etot = -16.0693582095034
-361000  ekin = 2.41850555983883 |  erot = 2.39054736245268 | epot = -21.2133787743639 | etot = -16.4043258520724
-362000  ekin = 2.2486199222758 |  erot = 2.04489136793498 | epot = -21.2088914287919 | etot = -16.9153801385811
-363000  ekin = 3.21904252076973 |  erot = 1.79717950163014 | epot = -21.2620537293498 | etot = -16.24583170695
-364000  ekin = 2.98456974484978 |  erot = 2.18316673460244 | epot = -21.2883338312843 | etot = -16.120597351832
-365000  ekin = 2.49427392981408 |  erot = 2.31205455481899 | epot = -21.4001153296815 | etot = -16.5937868450484
-366000  ekin = 2.61706523565787 |  erot = 2.20229130507576 | epot = -21.4506718008963 | etot = -16.6313152601626
-367000  ekin = 2.24650816549397 |  erot = 1.87906237362997 | epot = -21.5207044850599 | etot = -17.395133945936
-368000  ekin = 2.46672276241561 |  erot = 2.37638546053105 | epot = -21.5628581383217 | etot = -16.719749915375
-369000  ekin = 2.0361463514985 |  erot = 2.85426887707092 | epot = -21.6803034764487 | etot = -16.7898882478793
-370000  ekin = 2.13410724028003 |  erot = 2.17304603842011 | epot = -21.7343761700059 | etot = -17.4272228913057
-371000  ekin = 2.21722409826113 |  erot = 2.11058746733931 | epot = -21.6422617131999 | etot = -17.3144501475994
-372000  ekin = 1.88083333566672 |  erot = 1.90617172826128 | epot = -21.6005499693119 | etot = -17.8135449053839
-373000  ekin = 1.98298204516521 |  erot = 1.7826768212841 | epot = -21.5708808628646 | etot = -17.8052219964153
-374000  ekin = 2.88981201933267 |  erot = 1.90326894499807 | epot = -21.4624711307906 | etot = -16.6693901664599
-375000  ekin = 2.31951869092548 |  erot = 1.92779670517485 | epot = -21.3521768069862 | etot = -17.1048614108859
-376000  ekin = 2.60113015271721 |  erot = 2.31181306588443 | epot = -21.34681055463 | etot = -16.4338673360284
-377000  ekin = 2.23867315344603 |  erot = 1.65923992926405 | epot = -21.2611852709132 | etot = -17.3632721882031
-378000  ekin = 2.38125181613767 |  erot = 2.54002618279123 | epot = -21.2390275318703 | etot = -16.3177495329414
-379000  ekin = 2.06952281308678 |  erot = 2.11888196225294 | epot = -21.1940256065771 | etot = -17.0056208312374
-380000  ekin = 2.59961269461524 |  erot = 2.37512007885032 | epot = -21.1885781090515 | etot = -16.213845335586
-381000  ekin = 2.42019573552876 |  erot = 2.20667402504615 | epot = -21.1989968748535 | etot = -16.5721271142786
-382000  ekin = 2.04746564398744 |  erot = 3.34439482672214 | epot = -21.2903574441546 | etot = -15.898496973445
-383000  ekin = 2.65699216362738 |  erot = 1.56546061375907 | epot = -21.3572338418187 | etot = -17.1347810644323
-384000  ekin = 2.43156675693925 |  erot = 2.00097327452754 | epot = -21.3434156392383 | etot = -16.9108756077715
-385000  ekin = 1.95152101616516 |  erot = 3.28345377140316 | epot = -21.4173973675699 | etot = -16.1824225800016
-386000  ekin = 2.10919215730741 |  erot = 2.90700736383438 | epot = -21.3963452767616 | etot = -16.3801457556198
-387000  ekin = 2.34448447096483 |  erot = 2.50155013212482 | epot = -21.3487258248085 | etot = -16.5026912217188
-388000  ekin = 2.71771591111728 |  erot = 2.76803950274557 | epot = -21.3515918112167 | etot = -15.8658363973538
-389000  ekin = 3.06825183100774 |  erot = 3.06148533146043 | epot = -21.4826430036712 | etot = -15.352905841203
-390000  ekin = 2.56997560639923 |  erot = 2.05646161654306 | epot = -21.5623801506969 | etot = -16.9359429277546
-391000  ekin = 2.1110114400687 |  erot = 2.44612603817532 | epot = -21.6052888202632 | etot = -17.0481513420192
-392000  ekin = 2.58328475785099 |  erot = 2.75249392862467 | epot = -21.7336094646939 | etot = -16.3978307782182
-393000  ekin = 2.03977041996533 |  erot = 1.67448219405537 | epot = -21.8740604202475 | etot = -18.1598078062268
-394000  ekin = 2.1229408356241 |  erot = 2.43410977254956 | epot = -21.9094739378951 | etot = -17.3524233297215
-395000  ekin = 2.48696003315341 |  erot = 2.48225062557349 | epot = -21.8799685903484 | etot = -16.9107579316215
-396000  ekin = 3.18909661029635 |  erot = 1.62675064803774 | epot = -21.852000027704 | etot = -17.0361527693699
-397000  ekin = 2.39161566907255 |  erot = 2.17052346752456 | epot = -21.7939512244376 | etot = -17.2318120878405
-398000  ekin = 2.29946433742665 |  erot = 2.18115834594541 | epot = -21.7285069861956 | etot = -17.2478843028235
-399000  ekin = 2.65449075133045 |  erot = 2.80318185995815 | epot = -21.6503181327212 | etot = -16.1926455214326
-400000  ekin = 1.800915604111 |  erot = 2.76596769548035 | epot = -21.6418619272709 | etot = -17.0749786276796
-401000  ekin = 2.35073130822393 |  erot = 3.12299222057742 | epot = -21.6675586342212 | etot = -16.1938351054199
-402000  ekin = 3.95550191914708 |  erot = 3.58855023837879 | epot = -21.5840051268209 | etot = -14.039952969295
-403000  ekin = 3.59615502379622 |  erot = 3.44558176696766 | epot = -21.5781150073618 | etot = -14.5363782165979
-404000  ekin = 2.50360365952137 |  erot = 3.01285184176069 | epot = -21.6258060641304 | etot = -16.1093505628483
-405000  ekin = 2.77241560720114 |  erot = 3.10596549510785 | epot = -21.7046789178921 | etot = -15.8262978155831
-406000  ekin = 2.33934923007339 |  erot = 2.04671975867732 | epot = -21.8191042863881 | etot = -17.4330352976373
-407000  ekin = 2.34277955096233 |  erot = 1.89301717692528 | epot = -21.8450916691373 | etot = -17.6092949412497
-408000  ekin = 1.91561948833426 |  erot = 2.1955160435361 | epot = -21.874404183535 | etot = -17.7632686516646
-409000  ekin = 1.98819074442449 |  erot = 1.93870533007335 | epot = -21.9219030266971 | etot = -17.9950069521992
-410000  ekin = 1.59047218684375 |  erot = 1.93259851333215 | epot = -21.9698907875581 | etot = -18.4468200873822
-411000  ekin = 1.88305362601542 |  erot = 2.47249081001964 | epot = -22.0985208042932 | etot = -17.7429763682581
-412000  ekin = 2.51301623282815 |  erot = 2.67550740966368 | epot = -22.2078537029906 | etot = -17.0193300604988
-413000  ekin = 2.81407439938451 |  erot = 3.21402559358061 | epot = -22.1310120840188 | etot = -16.1029120910537
-414000  ekin = 2.79247479268938 |  erot = 2.73425265524032 | epot = -22.0977113063587 | etot = -16.570983858429
-415000  ekin = 2.47916660937973 |  erot = 2.25382914436718 | epot = -22.1646477745645 | etot = -17.4316520208176
-416000  ekin = 3.33232223339091 |  erot = 1.56386062957 | epot = -22.1461937000839 | etot = -17.250010837123
-417000  ekin = 3.95877285814837 |  erot = 2.43917045295872 | epot = -22.0789469190763 | etot = -15.6810036079692
-418000  ekin = 2.77978041892218 |  erot = 2.67961998913592 | epot = -21.9429456651674 | etot = -16.4835452571093
-419000  ekin = 2.38024484823695 |  erot = 2.99229133054454 | epot = -21.8677152868897 | etot = -16.4951791081082
-420000  ekin = 1.8087119495316 |  erot = 1.84151089264677 | epot = -21.8596865313186 | etot = -18.2094636891402
-421000  ekin = 1.25971024821534 |  erot = 1.84154088985395 | epot = -21.8144945739243 | etot = -18.713243435855
-422000  ekin = 1.38801644153196 |  erot = 2.76287955544761 | epot = -21.9448046693443 | etot = -17.7939086723647
-423000  ekin = 1.61378102360037 |  erot = 3.08643589903682 | epot = -21.9876910184368 | etot = -17.2874740957996
-424000  ekin = 2.38187559636675 |  erot = 2.03497345340564 | epot = -22.0529622043823 | etot = -17.6361131546099
-425000  ekin = 2.30172600419956 |  erot = 2.56124787306542 | epot = -22.0909144547264 | etot = -17.2279405774614
-426000  ekin = 2.08135734353847 |  erot = 3.11029155110105 | epot = -22.0318884881516 | etot = -16.840239593512
-427000  ekin = 2.14905284759742 |  erot = 2.44063059706749 | epot = -21.9221859408585 | etot = -17.3325024961936
-428000  ekin = 1.77884336055357 |  erot = 1.65616500997461 | epot = -21.9003025672496 | etot = -18.4652941967215
-429000  ekin = 1.6463484323549 |  erot = 2.54977814749913 | epot = -21.8505053104909 | etot = -17.6543787306369
-430000  ekin = 2.66566369380164 |  erot = 2.85826638798746 | epot = -21.8749831872768 | etot = -16.3510531054877
-431000  ekin = 2.77262842672212 |  erot = 1.57008239418361 | epot = -21.8682859290024 | etot = -17.5255751080967
-432000  ekin = 2.55459213758159 |  erot = 1.62943387255927 | epot = -21.8357562133881 | etot = -17.6517302032473
-433000  ekin = 1.99645419170626 |  erot = 2.46386731011039 | epot = -21.9426115259013 | etot = -17.4822900240846
-434000  ekin = 3.03855037499723 |  erot = 2.70114732868001 | epot = -22.0521183162707 | etot = -16.3124206125934
-435000  ekin = 3.56249359412514 |  erot = 1.3916907800745 | epot = -22.1907087359577 | etot = -17.236524361758
-436000  ekin = 2.9919519436941 |  erot = 2.00780906096745 | epot = -22.1944569501236 | etot = -17.194695945462
-437000  ekin = 3.22983002449305 |  erot = 1.78457838368284 | epot = -22.2079862630257 | etot = -17.1935778548498
-438000  ekin = 2.89357954274282 |  erot = 1.84712438388029 | epot = -22.1640149633625 | etot = -17.4233110367394
-439000  ekin = 2.43548109922482 |  erot = 2.6972566722099 | epot = -22.15552566419 | etot = -17.0227878927553
-440000  ekin = 2.2623759777343 |  erot = 3.00532913929839 | epot = -22.1911581748161 | etot = -16.9234530577835
-441000  ekin = 2.91169601545459 |  erot = 2.87109172357539 | epot = -22.3349024428918 | etot = -16.5521147038619
-442000  ekin = 2.09099397022228 |  erot = 1.73520313922451 | epot = -22.4051258365299 | etot = -18.5789287270832
-443000  ekin = 1.89190436364779 |  erot = 2.0033880577304 | epot = -22.4571595679749 | etot = -18.5618671465967
-444000  ekin = 2.07260612589383 |  erot = 2.15261859961606 | epot = -22.4762155543905 | etot = -18.2509908288806
-445000  ekin = 2.10794043544075 |  erot = 2.27849500108989 | epot = -22.528911365565 | etot = -18.1424759290343
-446000  ekin = 2.43249129570082 |  erot = 2.857987858417 | epot = -22.5578450371516 | etot = -17.2673658830337
-447000  ekin = 2.18427449291498 |  erot = 2.9948705870288 | epot = -22.6332096652429 | etot = -17.4540645852991
-448000  ekin = 2.33125251154889 |  erot = 2.9537271150568 | epot = -22.6544934614541 | etot = -17.3695138348484
-449000  ekin = 2.34830834177128 |  erot = 2.93433423081579 | epot = -22.6524261630772 | etot = -17.3697835904901
-450000  ekin = 1.83059864091627 |  erot = 1.69583085832557 | epot = -22.5959718193006 | etot = -19.0695423200588
-451000  ekin = 1.97008420530445 |  erot = 1.93005789483907 | epot = -22.6042016377466 | etot = -18.7040595376031
-452000  ekin = 1.36031716300771 |  erot = 1.88416646481666 | epot = -22.5654500281941 | etot = -19.3209664003697
-453000  ekin = 2.08394677326601 |  erot = 2.55637003071466 | epot = -22.3996731437446 | etot = -17.759356339764
-454000  ekin = 1.46122132979163 |  erot = 2.19325045587991 | epot = -22.2559783518549 | etot = -18.6015065661833
-455000  ekin = 1.66159562683808 |  erot = 2.72214658377913 | epot = -22.1100881227337 | etot = -17.7263459121165
-456000  ekin = 2.35139002285136 |  erot = 1.99736695780608 | epot = -22.0265180206658 | etot = -17.6777610400084
-457000  ekin = 2.02337666353787 |  erot = 2.36288174917836 | epot = -21.987041986587 | etot = -17.6007835738707
-458000  ekin = 1.74388716034854 |  erot = 2.25704341258626 | epot = -22.0124765184275 | etot = -18.0115459454927
-459000  ekin = 2.51302694941203 |  erot = 2.31610812350976 | epot = -22.0905335599533 | etot = -17.2613984870315
-460000  ekin = 2.20235980851235 |  erot = 2.00073208070751 | epot = -22.0624281815267 | etot = -17.8593362923069
-461000  ekin = 2.27697813860511 |  erot = 2.92153186175594 | epot = -22.0043780203814 | etot = -16.8058680200203
-462000  ekin = 2.61751250591993 |  erot = 1.79446367088041 | epot = -22.034566251344 | etot = -17.6225900745436
-463000  ekin = 2.59076396942114 |  erot = 3.29959067151567 | epot = -21.9680597931617 | etot = -16.0777051522249
-464000  ekin = 2.18897688760923 |  erot = 2.37342380725931 | epot = -21.9014176363545 | etot = -17.3390169414859
-465000  ekin = 2.55336811292171 |  erot = 3.60208553232435 | epot = -21.8218243406516 | etot = -15.6663706954055
-466000  ekin = 1.98087073364118 |  erot = 2.88377492118972 | epot = -21.8240279062597 | etot = -16.9593822514288
-467000  ekin = 1.63963444033068 |  erot = 2.61720118783827 | epot = -21.9072568806945 | etot = -17.6504212525255
-468000  ekin = 1.11353612829142 |  erot = 3.36362638075103 | epot = -21.9675488944805 | etot = -17.490386385438
-469000  ekin = 1.72228182007046 |  erot = 2.77659856111655 | epot = -21.9967286251287 | etot = -17.4978482439417
-470000  ekin = 1.86957223270987 |  erot = 2.88200736733018 | epot = -22.0532435258198 | etot = -17.3016639257798
-471000  ekin = 2.73889257490363 |  erot = 2.33805868565126 | epot = -22.1018048913227 | etot = -17.0248536307678
-472000  ekin = 2.69336835751318 |  erot = 2.14497398823592 | epot = -22.1783319655624 | etot = -17.3399896198133
-473000  ekin = 2.2834012228809 |  erot = 2.08779065134066 | epot = -22.2062566289287 | etot = -17.8350647547071
-474000  ekin = 2.2375339334342 |  erot = 2.18021358366906 | epot = -22.2186470965394 | etot = -17.8008995794361
-475000  ekin = 2.52144972759887 |  erot = 2.10742888877791 | epot = -22.2200376200674 | etot = -17.5911590036907
-476000  ekin = 2.21750839437398 |  erot = 1.76993465858265 | epot = -22.122840778158 | etot = -18.1353977252014
-477000  ekin = 2.49639604606981 |  erot = 2.38997154938616 | epot = -22.0914213950017 | etot = -17.2050537995458
-478000  ekin = 1.92476411077776 |  erot = 2.05068061613982 | epot = -22.1165013146126 | etot = -18.141056587695
-479000  ekin = 2.27814065534965 |  erot = 3.09902158675162 | epot = -22.1039609371193 | etot = -16.726798695018
-480000  ekin = 1.67684718675217 |  erot = 2.75298455656159 | epot = -22.107572084908 | etot = -17.6777403415942
-481000  ekin = 1.82004035403442 |  erot = 2.94243611851483 | epot = -22.0570042571709 | etot = -17.2945277846216
-482000  ekin = 2.15620792762657 |  erot = 2.07225318674483 | epot = -22.0195504604851 | etot = -17.7910893461137
-483000  ekin = 1.49597937205779 |  erot = 1.99748154603234 | epot = -21.9846691787552 | etot = -18.4912082606651
-484000  ekin = 1.84801031899853 |  erot = 2.33839306142132 | epot = -22.057622803598 | etot = -17.8712194231781
-485000  ekin = 1.63994449952444 |  erot = 2.49474020960605 | epot = -22.0873319631203 | etot = -17.9526472539898
-486000  ekin = 1.86878710017944 |  erot = 2.15121977781066 | epot = -22.0738722433192 | etot = -18.0538653653291
-487000  ekin = 2.36575535267026 |  erot = 3.1012540127672 | epot = -22.144928398152 | etot = -16.6779190327145
-488000  ekin = 2.28442246943195 |  erot = 3.25683393002514 | epot = -22.0988506325681 | etot = -16.557594233111
-489000  ekin = 2.42271484675 |  erot = 2.545421459121 | epot = -22.0089541135478 | etot = -17.0408178076768
-490000  ekin = 2.15700463004959 |  erot = 3.54046810332718 | epot = -21.9046622319151 | etot = -16.2071894985384
-491000  ekin = 2.21877065503535 |  erot = 2.48745097433186 | epot = -21.7908019627883 | etot = -17.0845803334211
-492000  ekin = 2.42517437413503 |  erot = 2.76311171529556 | epot = -21.7601749752715 | etot = -16.5718888858409
-493000  ekin = 1.78704503482098 |  erot = 2.27560531894263 | epot = -21.8193757259442 | etot = -17.7567253721806
-494000  ekin = 2.08676036701357 |  erot = 2.99995787427429 | epot = -21.8611051542237 | etot = -16.7743869129359
-495000  ekin = 2.13526814465422 |  erot = 2.49327519100041 | epot = -21.9512664264056 | etot = -17.322723090751
-496000  ekin = 2.04396376951351 |  erot = 2.616205394925 | epot = -21.9926597066747 | etot = -17.3324905422362
-497000  ekin = 2.51384009922531 |  erot = 1.7082513952147 | epot = -21.9316573881385 | etot = -17.7095658936985
-498000  ekin = 2.15599563393455 |  erot = 1.79545847566161 | epot = -21.8684844569259 | etot = -17.9170303473297
-499000  ekin = 3.01748439271979 |  erot = 1.75754764004203 | epot = -21.8933218662966 | etot = -17.1182898335348
-500000  ekin = 2.75260982901106 |  erot = 2.51842805388797 | epot = -21.8943946135574 | etot = -16.6233567306584
-501000  ekin = 2.67931288903133 |  erot = 3.01160406637169 | epot = -21.7750232065095 | etot = -16.0841062511065
-502000  ekin = 1.89360306182664 |  erot = 3.89791941021244 | epot = -21.6573468922303 | etot = -15.8658244201912
-503000  ekin = 1.79321931974652 |  erot = 2.94204976962203 | epot = -21.4684952360274 | etot = -16.7332261466588
-504000  ekin = 1.67757593959819 |  erot = 3.03667519772549 | epot = -21.3740498051044 | etot = -16.6597986677807
-505000  ekin = 2.71879314198246 |  erot = 2.13553052885652 | epot = -21.3748517524097 | etot = -16.5205280815708
-506000  ekin = 2.26416011641767 |  erot = 2.03983903573872 | epot = -21.3744734731022 | etot = -17.0704743209458
-507000  ekin = 3.1361217829786 |  erot = 2.43598082432094 | epot = -21.4637546760327 | etot = -15.8916520687332
-508000  ekin = 2.50986106907072 |  erot = 2.54739392181408 | epot = -21.6231060681634 | etot = -16.5658510772786
-509000  ekin = 2.11468804004737 |  erot = 2.82565642150502 | epot = -21.7737120459513 | etot = -16.833367584399
-510000  ekin = 2.15001055304937 |  erot = 1.42727017491936 | epot = -21.8417870574446 | etot = -18.2645063294759
-511000  ekin = 2.52545394756595 |  erot = 2.75161712587396 | epot = -21.9086876613652 | etot = -16.6316165879253
-512000  ekin = 2.30866784309731 |  erot = 2.74554976662382 | epot = -21.9096028664776 | etot = -16.8553852567565
-513000  ekin = 2.48902345599679 |  erot = 2.14823762928073 | epot = -21.8729373600799 | etot = -17.2356762748023
-514000  ekin = 2.80071109914889 |  erot = 2.54489890263222 | epot = -22.0260959105663 | etot = -16.6804859087852
-515000  ekin = 2.54951114466541 |  erot = 1.81830545608794 | epot = -22.1182236024142 | etot = -17.7504070016608
-516000  ekin = 2.82429114749714 |  erot = 2.22223190254032 | epot = -22.2027443448739 | etot = -17.1562212948364
-517000  ekin = 2.0440652856654 |  erot = 2.05268379810237 | epot = -22.2270328001489 | etot = -18.1302837163812
-518000  ekin = 2.19098614618396 |  erot = 2.75233490105158 | epot = -22.2209877154937 | etot = -17.2776666682582
-519000  ekin = 2.24036502705843 |  erot = 2.22532553600965 | epot = -22.3180679614818 | etot = -17.8523773984137
-520000  ekin = 1.89058003919379 |  erot = 2.20041260684314 | epot = -22.4024099853452 | etot = -18.3114173393083
-521000  ekin = 2.59235690452871 |  erot = 1.87867658572833 | epot = -22.562076955749 | etot = -18.091043465492
-522000  ekin = 3.47612340255834 |  erot = 1.77091315262669 | epot = -22.6560013672146 | etot = -17.4089648120296
-523000  ekin = 2.86973311568959 |  erot = 2.45931135481362 | epot = -22.7015468187878 | etot = -17.3725023482846
-524000  ekin = 2.43256318748705 |  erot = 2.35726786724123 | epot = -22.6382055947879 | etot = -17.8483745400596
-525000  ekin = 1.5862220801759 |  erot = 2.67712917770356 | epot = -22.6016118927227 | etot = -18.3382606348432
-526000  ekin = 1.68941966580457 |  erot = 1.56387338489763 | epot = -22.5489288531346 | etot = -19.2956358024324
-527000  ekin = 2.25322718958956 |  erot = 1.91908592764601 | epot = -22.4417549635527 | etot = -18.2694418463172
-528000  ekin = 2.66412422381676 |  erot = 2.81704928468167 | epot = -22.424921723381 | etot = -16.9437482148826
-529000  ekin = 2.68379060052796 |  erot = 3.01205280488719 | epot = -22.4295574265689 | etot = -16.7337140211538
-530000  ekin = 2.58073227215728 |  erot = 2.12870295195895 | epot = -22.2883086480465 | etot = -17.5788734239303
-531000  ekin = 2.96770457160388 |  erot = 2.3539174245284 | epot = -22.185671173874 | etot = -16.8640491777417
-532000  ekin = 2.56038964370912 |  erot = 2.30878740571671 | epot = -22.1997799918586 | etot = -17.3306029424328
-533000  ekin = 2.47143825522097 |  erot = 2.96338918263316 | epot = -22.2065233272062 | etot = -16.771695889352
-534000  ekin = 2.10112886915673 |  erot = 2.0617073534125 | epot = -22.2366529232831 | etot = -18.0738167007138
-535000  ekin = 3.76894732289842 |  erot = 2.64646203076615 | epot = -22.2276744548844 | etot = -15.8122651012198
-536000  ekin = 2.7696162230836 |  erot = 1.9580523477121 | epot = -22.165452917338 | etot = -17.4377843465423
-537000  ekin = 2.84154244437418 |  erot = 2.62704512023092 | epot = -22.0849688339384 | etot = -16.6163812693333
-538000  ekin = 2.6844256357838 |  erot = 2.11441739965432 | epot = -22.0125688846838 | etot = -17.2137258492457
-539000  ekin = 2.71421145807768 |  erot = 2.40915133591279 | epot = -22.1313332530724 | etot = -17.0079704590819
-540000  ekin = 2.43518407250594 |  erot = 2.49363815768249 | epot = -22.2749632551309 | etot = -17.3461410249425
-541000  ekin = 3.40444579850307 |  erot = 2.79359613706623 | epot = -22.3466180642399 | etot = -16.1485761286706
-542000  ekin = 2.43275262454038 |  erot = 2.89267129498909 | epot = -22.3556133688797 | etot = -17.0301894493503
-543000  ekin = 2.33375802900843 |  erot = 2.8782226670354 | epot = -22.3545030310921 | etot = -17.1425223350483
-544000  ekin = 2.20372430185483 |  erot = 1.45976141003991 | epot = -22.3227611685587 | etot = -18.659275456664
-545000  ekin = 2.44172510086273 |  erot = 2.14426798374486 | epot = -22.3064237448697 | etot = -17.7204306602621
-546000  ekin = 1.97339115566055 |  erot = 2.22847557914697 | epot = -22.2636677476265 | etot = -18.061801012819
-547000  ekin = 2.54002001617726 |  erot = 1.88945501268907 | epot = -22.2158143598029 | etot = -17.7863393309366
-548000  ekin = 1.68526456618957 |  erot = 1.65049155866195 | epot = -22.1214578510427 | etot = -18.7857017261912
-549000  ekin = 1.87014690614357 |  erot = 2.68376307045223 | epot = -22.3040985050479 | etot = -17.7501885284521
-550000  ekin = 1.8122987774087 |  erot = 1.59166644509218 | epot = -22.4560870327804 | etot = -19.0521218102795
-551000  ekin = 2.18773128797503 |  erot = 2.27087388044657 | epot = -22.5158361799814 | etot = -18.0572310115598
-552000  ekin = 2.05249497087455 |  erot = 2.50761265901317 | epot = -22.5719393540104 | etot = -18.0118317241227
-553000  ekin = 2.95454924363312 |  erot = 2.14558063826842 | epot = -22.6616695566089 | etot = -17.5615396747074
-554000  ekin = 2.82907288726942 |  erot = 1.93583607418193 | epot = -22.8114472173087 | etot = -18.0465382558574
-555000  ekin = 2.39144194814064 |  erot = 2.26903467149231 | epot = -22.8607776699893 | etot = -18.2003010503564
-556000  ekin = 2.29377130416531 |  erot = 2.58082229477441 | epot = -22.912355957237 | etot = -18.0377623582973
-557000  ekin = 2.83942594504113 |  erot = 1.46630323732686 | epot = -22.995524783667 | etot = -18.689795601299
-558000  ekin = 2.74466783679159 |  erot = 2.01704787654692 | epot = -23.0269943374554 | etot = -18.2652786241169
-559000  ekin = 3.32013685758138 |  erot = 2.33070588278053 | epot = -23.0724440783112 | etot = -17.4216013379493
-560000  ekin = 3.06575014862304 |  erot = 2.32407723614369 | epot = -23.0584521203812 | etot = -17.6686247356144
-561000  ekin = 2.86678914129225 |  erot = 2.08494050984237 | epot = -22.9757329649368 | etot = -18.0240033138022
-562000  ekin = 3.27279507804288 |  erot = 2.51484206553919 | epot = -22.876340054703 | etot = -17.0887029111209
-563000  ekin = 2.66038070150058 |  erot = 1.6411653076616 | epot = -22.8496252506976 | etot = -18.5480792415354
-564000  ekin = 2.80463843262515 |  erot = 2.52666063138349 | epot = -22.8040898690868 | etot = -17.4727908050782
-565000  ekin = 2.64623234011006 |  erot = 2.04560086917497 | epot = -22.7528472206812 | etot = -18.0610140113961
-566000  ekin = 2.31861442156789 |  erot = 2.17941765713977 | epot = -22.7559143900142 | etot = -18.2578823113065
-567000  ekin = 1.93226018038665 |  erot = 2.82020539323093 | epot = -22.7113049006744 | etot = -17.9588393270568
-568000  ekin = 2.20139908423164 |  erot = 2.21734716414422 | epot = -22.7309883250973 | etot = -18.3122420767214
-569000  ekin = 2.47190977966691 |  erot = 2.65968832242272 | epot = -22.6724326928843 | etot = -17.5408345907946
-570000  ekin = 2.43697670060318 |  erot = 1.88669477532771 | epot = -22.6652860601546 | etot = -18.3416145842237
-571000  ekin = 2.89014026085716 |  erot = 2.95617526869998 | epot = -22.6585089246085 | etot = -16.8121933950514
-572000  ekin = 1.93596118948627 |  erot = 3.77290573984752 | epot = -22.6179860492832 | etot = -16.9091191199494
-573000  ekin = 2.40454634711712 |  erot = 2.31316721466244 | epot = -22.5941857447927 | etot = -17.8764721830132
-574000  ekin = 1.69171540489496 |  erot = 2.32939319863946 | epot = -22.6485181547003 | etot = -18.6274095511659
-575000  ekin = 1.84147438222145 |  erot = 1.86451086977538 | epot = -22.7257563443533 | etot = -19.0197710923564
-576000  ekin = 3.22125710715105 |  erot = 2.95826776175098 | epot = -22.6735851458117 | etot = -16.4940602769097
-577000  ekin = 2.86653117003728 |  erot = 2.88010628292142 | epot = -22.6061554079342 | etot = -16.8595179549755
-578000  ekin = 2.38032268318988 |  erot = 2.7671019602175 | epot = -22.4015577816724 | etot = -17.254133138265
-579000  ekin = 2.40088404436445 |  erot = 1.99411758494037 | epot = -22.2441807849415 | etot = -17.8491791556366
-580000  ekin = 2.62022193893446 |  erot = 1.97772953708398 | epot = -22.0981459564787 | etot = -17.5001944804603
-581000  ekin = 2.04609920382364 |  erot = 3.02021971917519 | epot = -21.9713515823038 | etot = -16.9050326593049
-582000  ekin = 2.17556767215607 |  erot = 3.10885810822425 | epot = -21.8451828402322 | etot = -16.5607570598519
-583000  ekin = 2.12792577884129 |  erot = 2.7142175246668 | epot = -21.8090540348 | etot = -16.9669107312919
-584000  ekin = 2.99197492146327 |  erot = 2.6185428756741 | epot = -21.801471166218 | etot = -16.1909533690806
-585000  ekin = 2.41600413666428 |  erot = 2.49968403996097 | epot = -21.758207975142 | etot = -16.8425197985167
-586000  ekin = 3.57880609498066 |  erot = 1.99026777936242 | epot = -21.7793800190222 | etot = -16.2103061446791
-587000  ekin = 3.5356931879588 |  erot = 1.96660845702857 | epot = -21.7574182658134 | etot = -16.255116620826
-588000  ekin = 2.80385841316336 |  erot = 1.58927534150912 | epot = -21.7290695763864 | etot = -17.3359358217139
-589000  ekin = 2.31178332958481 |  erot = 2.19605556561578 | epot = -21.7771889269559 | etot = -17.2693500317554
-590000  ekin = 2.57159955455666 |  erot = 1.71441305781987 | epot = -21.7801644206484 | etot = -17.4941518082719
-591000  ekin = 1.90027597697965 |  erot = 3.807942925131 | epot = -21.8693595444135 | etot = -16.1611406423029
-592000  ekin = 2.10287592275467 |  erot = 2.85572724854608 | epot = -21.9132458203291 | etot = -16.9546426490283
-593000  ekin = 1.6630679389305 |  erot = 2.4593797067513 | epot = -21.9499391362603 | etot = -17.8274914905785
-594000  ekin = 1.85147249869391 |  erot = 2.37596539021725 | epot = -22.0748010854883 | etot = -17.8473631965771
-595000  ekin = 1.62801913987931 |  erot = 2.13760745860406 | epot = -22.2650343535208 | etot = -18.4994077550374
-596000  ekin = 1.8507787756783 |  erot = 1.55277904845735 | epot = -22.3618759263936 | etot = -18.958318102258
-597000  ekin = 2.21873580046472 |  erot = 2.31247364510899 | epot = -22.4218283315558 | etot = -17.8906188859821
-598000  ekin = 1.87152940931079 |  erot = 3.02770945247866 | epot = -22.4928956008977 | etot = -17.5936567391083
-599000  ekin = 2.84160333456022 |  erot = 2.19202304201413 | epot = -22.5210806388342 | etot = -17.4874542622599
-600000  ekin = 2.63824255094171 |  erot = 2.13280883838529 | epot = -22.4361553764614 | etot = -17.6651039871344
-601000  ekin = 2.95991744971104 |  erot = 3.20891387142302 | epot = -22.3089419175364 | etot = -16.1401105964023
-602000  ekin = 2.94287171911394 |  erot = 2.68015446943143 | epot = -22.2205146380183 | etot = -16.5974884494729
-603000  ekin = 2.59651768027527 |  erot = 2.70994674634415 | epot = -22.1626040385702 | etot = -16.8561396119508
-604000  ekin = 1.79237423166218 |  erot = 2.11638057359598 | epot = -22.1934477586593 | etot = -18.2846929534011
-605000  ekin = 1.83068473031178 |  erot = 2.27957438186889 | epot = -22.2254684973409 | etot = -18.1152093851602
-606000  ekin = 2.3318585405123 |  erot = 2.19626289047849 | epot = -22.1692552740622 | etot = -17.6411338430714
-607000  ekin = 2.71184010988539 |  erot = 2.97108975720826 | epot = -22.1536579122904 | etot = -16.4707280451968
-608000  ekin = 2.42009843612053 |  erot = 2.4160965003039 | epot = -22.110570505977 | etot = -17.2743755695526
-609000  ekin = 1.88829617874732 |  erot = 2.63290748875971 | epot = -21.9999822454274 | etot = -17.4787785779204
-610000  ekin = 3.00361337450474 |  erot = 2.1770990927646 | epot = -21.9226199750059 | etot = -16.7419075077366
-611000  ekin = 2.45804405292799 |  erot = 2.74756316868512 | epot = -21.9190479764513 | etot = -16.7134407548382
-612000  ekin = 2.52217588638914 |  erot = 2.13391253924555 | epot = -21.9544188877756 | etot = -17.2983304621409
-613000  ekin = 3.03676008822022 |  erot = 2.11841016157454 | epot = -22.0017416346015 | etot = -16.8465713848068
-614000  ekin = 2.28555718180927 |  erot = 3.00540928021108 | epot = -22.076196502849 | etot = -16.7852300408287
-615000  ekin = 1.68510287809686 |  erot = 2.62386193001631 | epot = -22.0327006368424 | etot = -17.7237358287293
-616000  ekin = 1.93880828018172 |  erot = 2.84237691352499 | epot = -22.0612297066235 | etot = -17.2800445129167
-617000  ekin = 2.16704933019324 |  erot = 2.51662857724104 | epot = -22.0595683849495 | etot = -17.3758904775152
-618000  ekin = 3.09933970351516 |  erot = 2.74545743402537 | epot = -22.0170483082271 | etot = -16.1722511706866
-619000  ekin = 3.43176670397203 |  erot = 2.12195823326367 | epot = -21.9875785418916 | etot = -16.4338536046559
-620000  ekin = 4.28780554984769 |  erot = 2.22709196760531 | epot = -21.9605251543895 | etot = -15.4456276369365
-621000  ekin = 3.0817124482252 |  erot = 2.57159564010566 | epot = -21.9025163812385 | etot = -16.2492082929077
-622000  ekin = 2.7316886075754 |  erot = 2.62820058118157 | epot = -21.8412338594045 | etot = -16.4813446706475
-623000  ekin = 2.85452079274903 |  erot = 2.89943500147418 | epot = -21.6852443941174 | etot = -15.9312885998942
-624000  ekin = 2.03273271064348 |  erot = 3.41737453659277 | epot = -21.5180611078538 | etot = -16.0679538606176
-625000  ekin = 2.93860287466087 |  erot = 2.67773023023639 | epot = -21.3855450802948 | etot = -15.7692119753975
-626000  ekin = 2.62772208534214 |  erot = 2.18165419852426 | epot = -21.3747765229082 | etot = -16.5654002390418
-627000  ekin = 2.31977818310487 |  erot = 2.39484209061114 | epot = -21.4372090577008 | etot = -16.7225887839848
-628000  ekin = 2.22183190227213 |  erot = 2.76412054255637 | epot = -21.5969078027882 | etot = -16.6109553579597
-629000  ekin = 2.21761787409423 |  erot = 1.98066149405243 | epot = -21.7578561859452 | etot = -17.5595768177986
-630000  ekin = 2.47350494176362 |  erot = 2.13931642231379 | epot = -21.7773766650218 | etot = -17.1645553009444
-631000  ekin = 2.05047278007875 |  erot = 1.79296462014617 | epot = -21.7869475538217 | etot = -17.9435101535968
-632000  ekin = 1.64845667747476 |  erot = 3.28396465847895 | epot = -21.8333012025328 | etot = -16.9008798665791
-633000  ekin = 2.3500132343185 |  erot = 2.33909753328782 | epot = -21.9539301797825 | etot = -17.2648194121761
-634000  ekin = 2.35704893279045 |  erot = 2.4648325451317 | epot = -22.0204072629832 | etot = -17.1985257850611
-635000  ekin = 1.98907577162677 |  erot = 3.37071781675286 | epot = -22.0690924871448 | etot = -16.7092988987652
-636000  ekin = 2.50984196335063 |  erot = 2.4868899453394 | epot = -22.0714906026257 | etot = -17.0747586939356
-637000  ekin = 2.77501317112848 |  erot = 2.80709332215511 | epot = -21.9923972278243 | etot = -16.4102907345407
-638000  ekin = 2.43799129572064 |  erot = 2.79007198504632 | epot = -22.0591413868447 | etot = -16.8310781060777
-639000  ekin = 1.88073995546173 |  erot = 2.09679843998315 | epot = -22.0499554202514 | etot = -18.0724170248065
-640000  ekin = 2.08188045172847 |  erot = 3.35894090591921 | epot = -21.9976614802368 | etot = -16.5568401225891
-641000  ekin = 2.09182367506332 |  erot = 2.24091541077085 | epot = -22.0969663672431 | etot = -17.764227281409
-642000  ekin = 2.29630816296813 |  erot = 2.69496533496292 | epot = -22.1529742829376 | etot = -17.1617007850066
-643000  ekin = 2.73580847855275 |  erot = 2.20074971448877 | epot = -22.0965451673466 | etot = -17.1599869743051
-644000  ekin = 2.87754738253099 |  erot = 3.41752705378108 | epot = -22.1314614085222 | etot = -15.8363869722101
-645000  ekin = 2.42917363330758 |  erot = 2.10617126422417 | epot = -22.0684179655268 | etot = -17.5330730679951
-646000  ekin = 2.69471397724187 |  erot = 1.80009045225373 | epot = -21.899080412774 | etot = -17.4042759832784
-647000  ekin = 2.47700110999563 |  erot = 1.99221351689818 | epot = -21.6986646197609 | etot = -17.2294499928671
-648000  ekin = 2.27330015032657 |  erot = 1.67398094476719 | epot = -21.7984825454865 | etot = -17.8512014503928
-649000  ekin = 2.56285740395647 |  erot = 1.7492398457574 | epot = -22.193749898698 | etot = -17.8816526489841
-650000  ekin = 2.76035969172864 |  erot = 2.20984080080436 | epot = -22.3536470081185 | etot = -17.3834465155855
-651000  ekin = 2.26255154523698 |  erot = 3.27496991661066 | epot = -22.4274148303115 | etot = -16.8898933684638
-652000  ekin = 2.37279828196649 |  erot = 2.29630046443082 | epot = -22.4456643066012 | etot = -17.7765655602039
-653000  ekin = 2.07651844100825 |  erot = 2.14699861111495 | epot = -22.4487464586909 | etot = -18.2252294065677
-654000  ekin = 2.31499263290336 |  erot = 1.84798657187727 | epot = -22.4715481148371 | etot = -18.3085689100565
-655000  ekin = 2.12344600536595 |  erot = 1.79742316518917 | epot = -22.4407504825062 | etot = -18.5198813119511
-656000  ekin = 2.44238672537433 |  erot = 2.33314467296102 | epot = -22.4050518721078 | etot = -17.6295204737724
-657000  ekin = 2.44684720738066 |  erot = 2.8701090435522 | epot = -22.3954429054341 | etot = -17.0784866545012
-658000  ekin = 2.49369435044193 |  erot = 2.86933833355584 | epot = -22.3577847118899 | etot = -16.9947520278921
-659000  ekin = 3.38707666874149 |  erot = 2.79117377884123 | epot = -22.223368870827 | etot = -16.0451184232443
-660000  ekin = 2.69464750718904 |  erot = 1.98877163007961 | epot = -22.0868371976708 | etot = -17.4034180604021
-661000  ekin = 2.21484386108131 |  erot = 2.52686187560577 | epot = -21.9324475602906 | etot = -17.1907418236035
-662000  ekin = 2.04483468145689 |  erot = 2.52786214958085 | epot = -21.8656118118387 | etot = -17.2929149808009
-663000  ekin = 2.25554994547888 |  erot = 2.29981193022508 | epot = -21.8121151333291 | etot = -17.2567532576251
-664000  ekin = 2.38378154392877 |  erot = 1.87242521142839 | epot = -21.7163692740767 | etot = -17.4601625187196
-665000  ekin = 2.64936843119576 |  erot = 2.29899861147532 | epot = -21.6597356727188 | etot = -16.7113686300477
-666000  ekin = 1.64494457505825 |  erot = 2.30638161556459 | epot = -21.5641898301394 | etot = -17.6128636395165
-667000  ekin = 1.65735220589392 |  erot = 2.82614341732318 | epot = -21.4751653585362 | etot = -16.9916697353191
-668000  ekin = 2.4984482511387 |  erot = 3.27950898400316 | epot = -21.3387145475146 | etot = -15.5607573123728
-669000  ekin = 1.61611201967415 |  erot = 2.67203522811057 | epot = -21.2655442255719 | etot = -16.9773969777871
-670000  ekin = 2.23077474650819 |  erot = 2.61363425835143 | epot = -21.200889249368 | etot = -16.3564802445084
-671000  ekin = 2.26765830930916 |  erot = 2.16388121545908 | epot = -21.1515274648836 | etot = -16.7199879401153
-672000  ekin = 1.94916146819699 |  erot = 1.65479713709718 | epot = -21.0650678898705 | etot = -17.4611092845763
-673000  ekin = 1.92556066199439 |  erot = 2.07900172108798 | epot = -21.0394363569889 | etot = -17.0348739739065
-674000  ekin = 2.12432357869026 |  erot = 2.16781085660272 | epot = -21.0725830613714 | etot = -16.7804486260784
-675000  ekin = 2.06851819258985 |  erot = 2.48317287761026 | epot = -21.1036073609478 | etot = -16.5519162907477
-676000  ekin = 2.45484997181755 |  erot = 2.79183078710856 | epot = -21.1301283632783 | etot = -15.8834476043522
-677000  ekin = 2.20334154136532 |  erot = 2.62444584525115 | epot = -21.1495626618895 | etot = -16.321775275273
-678000  ekin = 2.1472401432145 |  erot = 2.79545747432264 | epot = -21.0405241444795 | etot = -16.0978265269423
-679000  ekin = 2.17033413623503 |  erot = 2.18513653140294 | epot = -20.9421185444834 | etot = -16.5866478768454
-680000  ekin = 2.0995303513191 |  erot = 2.68744418062156 | epot = -20.96987060062 | etot = -16.1828960686794
-681000  ekin = 2.18304447310098 |  erot = 1.84812119436562 | epot = -21.0743862151371 | etot = -17.0432205476705
-682000  ekin = 3.04278123794938 |  erot = 2.40409586716962 | epot = -21.0797568548334 | etot = -15.6328797497144
-683000  ekin = 2.86269023881705 |  erot = 2.09728443896194 | epot = -21.0991655055584 | etot = -16.1391908277794
-684000  ekin = 1.98767037715953 |  erot = 2.9959196882898 | epot = -21.1362036730577 | etot = -16.1526136076084
-685000  ekin = 1.57295457528713 |  erot = 2.03034771002016 | epot = -21.146987158564 | etot = -17.5436848732567
-686000  ekin = 2.37743960028747 |  erot = 2.54064910359147 | epot = -21.1479154694211 | etot = -16.2298267655422
-687000  ekin = 1.90905424981707 |  erot = 2.87649471802562 | epot = -21.1390488337729 | etot = -16.3534998659303
-688000  ekin = 2.62740557427769 |  erot = 2.25087525520175 | epot = -21.1259808926564 | etot = -16.247700063177
-689000  ekin = 2.68026630351849 |  erot = 2.6526429118304 | epot = -21.2405393346747 | etot = -15.9076301193258
-690000  ekin = 2.56393304559924 |  erot = 2.48495065222977 | epot = -21.4016015121778 | etot = -16.3527178143488
-691000  ekin = 2.19270435018289 |  erot = 2.52704457861404 | epot = -21.5068265566119 | etot = -16.787077627815
-692000  ekin = 2.34077396593207 |  erot = 3.24867065054241 | epot = -21.5176021816803 | etot = -15.9281575652058
-693000  ekin = 2.29029075483227 |  erot = 3.0057489559252 | epot = -21.5358866889498 | etot = -16.2398469781924
-694000  ekin = 2.65674046511194 |  erot = 2.58629868712488 | epot = -21.7490636357026 | etot = -16.5060244834658
-695000  ekin = 2.43126197328693 |  erot = 1.19706323700545 | epot = -21.9401398969725 | etot = -18.3118146866802
-696000  ekin = 1.81474808623755 |  erot = 1.46920096781106 | epot = -21.9089223337524 | etot = -18.6249732797038
-697000  ekin = 2.39476771383887 |  erot = 2.11183502257124 | epot = -21.9420332766104 | etot = -17.4354305402003
-698000  ekin = 2.35926337724267 |  erot = 1.92783320549515 | epot = -22.0277191263436 | etot = -17.7406225436057
-699000  ekin = 2.48176872675363 |  erot = 2.56000644090341 | epot = -22.0212596021869 | etot = -16.9794844345299
-700000  ekin = 2.14129959772679 |  erot = 2.29861037684921 | epot = -21.9318234409146 | etot = -17.4919134663386
-701000  ekin = 2.17049668499625 |  erot = 2.20225192400486 | epot = -21.8245513288874 | etot = -17.4518027198863
-702000  ekin = 1.56275271552921 |  erot = 2.01171151000642 | epot = -21.7865003044462 | etot = -18.2120360789105
-703000  ekin = 2.06065227779357 |  erot = 2.17329473717682 | epot = -21.8026608939335 | etot = -17.5687138789631
-704000  ekin = 2.81952809577903 |  erot = 1.94266087393332 | epot = -21.8212186788769 | etot = -17.0590297091646
-705000  ekin = 2.82050127519938 |  erot = 2.18154028834386 | epot = -21.7752102636878 | etot = -16.7731687001446
-706000  ekin = 1.98267828238497 |  erot = 2.32706466032388 | epot = -21.7893242385512 | etot = -17.4795812958423
-707000  ekin = 1.9119199256382 |  erot = 2.05897787647104 | epot = -21.8430722730707 | etot = -17.8721744709615
-708000  ekin = 2.5016490217549 |  erot = 2.18383615173375 | epot = -21.8544847432184 | etot = -17.1689995697297
-709000  ekin = 2.87304116461984 |  erot = 2.56843564623619 | epot = -21.904442472254 | etot = -16.462965661398
-710000  ekin = 2.19867234802447 |  erot = 2.26714812026437 | epot = -21.8819798989583 | etot = -17.4161594306695
-711000  ekin = 2.3389229861775 |  erot = 1.44633862250318 | epot = -21.9197827259336 | etot = -18.1345211172529
-712000  ekin = 2.57005480809075 |  erot = 2.2870655996051 | epot = -22.0346026838636 | etot = -17.1774822761678
-713000  ekin = 1.98393390580316 |  erot = 2.33525788511066 | epot = -22.1280127822608 | etot = -17.808820991347
-714000  ekin = 2.59844561627729 |  erot = 2.10769412707777 | epot = -22.1916311346269 | etot = -17.4854913912719
-715000  ekin = 2.41851974197057 |  erot = 3.74888525577189 | epot = -22.1607861798611 | etot = -15.9933811821186
-716000  ekin = 2.84180231325819 |  erot = 2.85971600497619 | epot = -22.0686589684412 | etot = -16.3671406502068
-717000  ekin = 3.44841444935858 |  erot = 3.22605040091162 | epot = -21.9727882885698 | etot = -15.2983234382996
-718000  ekin = 3.10436184228426 |  erot = 3.94950630255786 | epot = -21.8709253031511 | etot = -14.817057158309
-719000  ekin = 2.37806574336788 |  erot = 2.95502686702169 | epot = -21.8563367317645 | etot = -16.523244121375
-720000  ekin = 2.2124258408194 |  erot = 3.13473166149202 | epot = -21.8329644507669 | etot = -16.4858069484555
-721000  ekin = 1.6946894391771 |  erot = 2.2319374275637 | epot = -21.7424084526643 | etot = -17.8157815859235
-722000  ekin = 1.90287140868432 |  erot = 2.80483524098529 | epot = -21.7497487144859 | etot = -17.0420420648163
-723000  ekin = 2.36731223380046 |  erot = 2.56327951769446 | epot = -21.6831418267135 | etot = -16.7525500752186
-724000  ekin = 1.73555921199202 |  erot = 2.45238016332292 | epot = -21.6581802464112 | etot = -17.4702408710963
-725000  ekin = 2.29059437023039 |  erot = 2.94575894857245 | epot = -21.7174261464808 | etot = -16.481072827678
-726000  ekin = 1.6348314779852 |  erot = 2.30383185500796 | epot = -21.7564933587679 | etot = -17.8178300257747
-727000  ekin = 2.48240653489463 |  erot = 3.20354227059191 | epot = -21.7912108634862 | etot = -16.1052620579997
-728000  ekin = 2.22769215153325 |  erot = 2.16489072994622 | epot = -21.7890771091799 | etot = -17.3964942277004
-729000  ekin = 1.89768095869013 |  erot = 1.6572167258809 | epot = -21.828690265207 | etot = -18.273792580636
-730000  ekin = 1.81050835100381 |  erot = 2.15777747975244 | epot = -21.8264469741817 | etot = -17.8581611434255
-731000  ekin = 2.19898236908282 |  erot = 2.98408098832206 | epot = -21.78613179764 | etot = -16.6030684402351
-732000  ekin = 2.43355047343304 |  erot = 2.27170844305627 | epot = -21.6883863408735 | etot = -16.9831274243842
-733000  ekin = 3.07212273972684 |  erot = 2.56783751855607 | epot = -21.7364921079321 | etot = -16.0965318496492
-734000  ekin = 2.38307322516835 |  erot = 2.02726646964742 | epot = -21.7939757502944 | etot = -17.3836360554786
-735000  ekin = 2.14195880954703 |  erot = 1.5562480724188 | epot = -21.8426856981853 | etot = -18.1444788162194
-736000  ekin = 2.14667447582535 |  erot = 3.43698049451813 | epot = -21.9502105525335 | etot = -16.36655558219
-737000  ekin = 1.74866123585724 |  erot = 3.58266975404538 | epot = -21.9688156583779 | etot = -16.6374846684753
-738000  ekin = 2.03996249374858 |  erot = 2.50844136963081 | epot = -22.0013918784185 | etot = -17.4529880150391
-739000  ekin = 1.85238190118676 |  erot = 2.20010970404148 | epot = -22.0186271684577 | etot = -17.9661355632294
-740000  ekin = 2.83862945300649 |  erot = 2.79090377324796 | epot = -22.0338814904878 | etot = -16.4043482642334
-741000  ekin = 2.46678702773207 |  erot = 2.91050038280045 | epot = -22.0853235069126 | etot = -16.7080360963801
-742000  ekin = 2.71529029375188 |  erot = 3.27395653072503 | epot = -22.2140748190892 | etot = -16.2248279946123
-743000  ekin = 2.22536600879676 |  erot = 3.21179247126421 | epot = -22.3431375024118 | etot = -16.9059790223508
-744000  ekin = 2.01371736615449 |  erot = 3.77601393842181 | epot = -22.4261509869247 | etot = -16.6364196823484
-745000  ekin = 3.15730296333415 |  erot = 2.31558796250714 | epot = -22.4108926873302 | etot = -16.9380017614889
-746000  ekin = 2.9774013013854 |  erot = 2.63107362961468 | epot = -22.3694265664285 | etot = -16.7609516354285
-747000  ekin = 2.34209064832564 |  erot = 2.04683419375201 | epot = -22.362862794452 | etot = -17.9739379523744
-748000  ekin = 2.37156256463876 |  erot = 2.40538773919507 | epot = -22.3979208424336 | etot = -17.6209705385998
-749000  ekin = 2.06136855553992 |  erot = 2.76585915349198 | epot = -22.3831536512816 | etot = -17.5559259422497
-750000  ekin = 1.6465677500269 |  erot = 2.38368935068673 | epot = -22.444703911786 | etot = -18.4144468110724
-751000  ekin = 1.78122844885827 |  erot = 2.81833836133589 | epot = -22.533438976529 | etot = -17.9338721663348
-752000  ekin = 1.34730592473949 |  erot = 1.45838401317446 | epot = -22.6090848823224 | etot = -19.8033949444084
-753000  ekin = 1.87571626319839 |  erot = 2.45354665197219 | epot = -22.5588053116254 | etot = -18.2295423964549
-754000  ekin = 1.7497031355263 |  erot = 2.74314075044426 | epot = -22.4698920344377 | etot = -17.9770481484671
-755000  ekin = 2.42081076696332 |  erot = 2.41217357398057 | epot = -22.3964223120254 | etot = -17.5634379710815
-756000  ekin = 1.85475003398 |  erot = 2.78259891044769 | epot = -22.320596272712 | etot = -17.6832473282843
-757000  ekin = 1.97578050121355 |  erot = 2.51781218539579 | epot = -22.1263927786385 | etot = -17.6328000920292
-758000  ekin = 1.22826853890878 |  erot = 2.60763168332871 | epot = -21.9863700054333 | etot = -18.1504697831958
-759000  ekin = 2.21637457917738 |  erot = 1.43949125248239 | epot = -22.1514665432947 | etot = -18.4956007116349
-760000  ekin = 2.68033406797328 |  erot = 2.41719679588396 | epot = -22.2590376675296 | etot = -17.1615068036723
-761000  ekin = 2.17537440635552 |  erot = 2.27171718649739 | epot = -22.3344047362676 | etot = -17.8873131434147
-762000  ekin = 2.18577068124738 |  erot = 1.66829735822053 | epot = -22.3621686129861 | etot = -18.5081005735182
-763000  ekin = 2.45478818575914 |  erot = 3.35299551820635 | epot = -22.4281249366375 | etot = -16.620341232672
-764000  ekin = 2.82872579097198 |  erot = 2.78775814269904 | epot = -22.4216595904293 | etot = -16.8051756567583
-765000  ekin = 1.82575545759012 |  erot = 2.76238969739238 | epot = -22.3222506299712 | etot = -17.7341054749887
-766000  ekin = 2.64667028577446 |  erot = 2.30816231818548 | epot = -22.178450499249 | etot = -17.2236178952891
-767000  ekin = 2.57518863120179 |  erot = 2.85636091304187 | epot = -22.0829371218307 | etot = -16.651387577587
-768000  ekin = 1.86419535586237 |  erot = 2.77038508826208 | epot = -22.1032134089885 | etot = -17.4686329648641
-769000  ekin = 2.3968210365344 |  erot = 2.30725355924691 | epot = -22.1808553751715 | etot = -17.4767807793902
-770000  ekin = 2.47007838986713 |  erot = 3.2324442599133 | epot = -22.2845706013469 | etot = -16.5820479515665
-771000  ekin = 2.32978280625416 |  erot = 2.29082247939233 | epot = -22.3223780040389 | etot = -17.7017727183924
-772000  ekin = 2.26109456847871 |  erot = 3.00930315380543 | epot = -22.420252339108 | etot = -17.1498546168239
-773000  ekin = 2.23291379974971 |  erot = 1.81993150945886 | epot = -22.4876821856977 | etot = -18.4348368764892
-774000  ekin = 2.82112723374611 |  erot = 2.20399964233336 | epot = -22.478004597296 | etot = -17.4528777212165
-775000  ekin = 1.80765894464448 |  erot = 1.85918506821 | epot = -22.4072882679054 | etot = -18.7404442550509
-776000  ekin = 1.4002136736383 |  erot = 3.15411215412015 | epot = -22.3650958887673 | etot = -17.8107700610088
-777000  ekin = 1.64184304615234 |  erot = 2.80565056199557 | epot = -22.2758630382017 | etot = -17.8283694300538
-778000  ekin = 1.48552010960747 |  erot = 2.23385655322066 | epot = -22.280627961357 | etot = -18.5612512985289
-779000  ekin = 1.8612416844269 |  erot = 1.89467011122748 | epot = -22.3098169150752 | etot = -18.5539051194208
-780000  ekin = 1.69992943470698 |  erot = 2.31253245346999 | epot = -22.3678364729485 | etot = -18.3553745847716
-781000  ekin = 2.09952906112346 |  erot = 2.56012058482574 | epot = -22.4462778123775 | etot = -17.7866281664283
-782000  ekin = 2.5656681981454 |  erot = 1.9584872929859 | epot = -22.3478635193415 | etot = -17.8237080282102
-783000  ekin = 2.16529384416182 |  erot = 2.88344914114143 | epot = -22.2446053910143 | etot = -17.1958624057111
-784000  ekin = 2.82003342353257 |  erot = 2.22795791523757 | epot = -22.2211041777196 | etot = -17.1731128389495
-785000  ekin = 3.1175846654813 |  erot = 2.90935771938994 | epot = -22.2344563156641 | etot = -16.2075139307929
-786000  ekin = 2.80016717549673 |  erot = 3.42867564957488 | epot = -22.249645155972 | etot = -16.0208023309004
-787000  ekin = 2.38498105317564 |  erot = 3.01080705704522 | epot = -22.1644901078413 | etot = -16.7687019976204
-788000  ekin = 1.98689482841944 |  erot = 2.00265266168407 | epot = -22.1102205855985 | etot = -18.120673095495
-789000  ekin = 2.4429381578802 |  erot = 2.28303571912851 | epot = -22.0438356575627 | etot = -17.317861780554
-790000  ekin = 3.54942607073523 |  erot = 2.80791853998026 | epot = -21.9672470303852 | etot = -15.6099024196697
-791000  ekin = 3.07978044254695 |  erot = 2.41844793702322 | epot = -21.9558944305006 | etot = -16.4576660509305
-792000  ekin = 3.91878473045569 |  erot = 1.97318255021653 | epot = -21.8851857762129 | etot = -15.9932184955406
-793000  ekin = 2.24379464034279 |  erot = 2.58359475602036 | epot = -21.774610681239 | etot = -16.9472212848758
-794000  ekin = 2.14799943871595 |  erot = 2.45378042225318 | epot = -21.6055963838422 | etot = -17.0038165228731
-795000  ekin = 1.62858645550717 |  erot = 2.41208539626205 | epot = -21.4428264365968 | etot = -17.4021545848276
-796000  ekin = 2.20626767900772 |  erot = 2.13905661758329 | epot = -21.3317362060421 | etot = -16.9864119094511
-797000  ekin = 1.82996184067328 |  erot = 1.99906119944912 | epot = -21.3393574083459 | etot = -17.5103343682235
-798000  ekin = 2.25667499558209 |  erot = 2.51245793530998 | epot = -21.3768565865698 | etot = -16.6077236556778
-799000  ekin = 1.90911035219009 |  erot = 2.87369878279889 | epot = -21.3617435253193 | etot = -16.5789343903304
-800000  ekin = 2.1677625897713 |  erot = 2.3474017295601 | epot = -21.2761013083254 | etot = -16.760936988994
-801000  ekin = 1.87638787205728 |  erot = 1.64434088909027 | epot = -21.119685062831 | etot = -17.5989563016835
-802000  ekin = 2.22686790237102 |  erot = 2.21112245128269 | epot = -21.0065136937552 | etot = -16.5685233401015
-803000  ekin = 2.68797844582698 |  erot = 1.9055042783616 | epot = -20.977533512373 | etot = -16.3840507881845
-804000  ekin = 2.34860603481644 |  erot = 2.89571698053519 | epot = -20.9203141084123 | etot = -15.6759910930607
-805000  ekin = 1.76197291834029 |  erot = 2.71253740465393 | epot = -20.7889998983483 | etot = -16.3144895753541
-806000  ekin = 1.74735080203811 |  erot = 2.06758975379032 | epot = -20.7361939926422 | etot = -16.9212534368137
-807000  ekin = 1.56935370454675 |  erot = 1.70438269927345 | epot = -20.7922156879383 | etot = -17.5184792841181
-808000  ekin = 2.10918656723178 |  erot = 2.39856508826458 | epot = -20.8730295437323 | etot = -16.3652778882359
-809000  ekin = 2.6421817829379 |  erot = 1.51718119689586 | epot = -20.8620425969582 | etot = -16.7026796171244
-810000  ekin = 3.0961523233869 |  erot = 2.66382304688042 | epot = -20.7945446198551 | etot = -15.0345692495878
-811000  ekin = 3.044772851549 |  erot = 3.63336291459448 | epot = -20.8540215443024 | etot = -14.1758857781589
-812000  ekin = 2.15160716251187 |  erot = 2.79673763715996 | epot = -20.9409883926875 | etot = -15.9926435930156
-813000  ekin = 2.18680935122609 |  erot = 3.17362835755789 | epot = -21.1408022790473 | etot = -15.7803645702634
-814000  ekin = 1.72092572696808 |  erot = 2.99575126024499 | epot = -21.2437075371712 | etot = -16.5270305499581
-815000  ekin = 2.15299829462666 |  erot = 2.27035656487164 | epot = -21.2458654890398 | etot = -16.8225106295415
-816000  ekin = 2.70812245065399 |  erot = 1.52125307187337 | epot = -21.2616781989935 | etot = -17.0323026764661
-817000  ekin = 2.58901717437677 |  erot = 2.58536627670114 | epot = -21.3956545078513 | etot = -16.2212710567734
-818000  ekin = 2.27875756856436 |  erot = 2.24624264725762 | epot = -21.4318935062254 | etot = -16.9068932904034
-819000  ekin = 2.10656184615864 |  erot = 3.01130039050671 | epot = -21.4327594058407 | etot = -16.3148971691754
-820000  ekin = 2.45661353119087 |  erot = 2.70775294944127 | epot = -21.3798106611916 | etot = -16.2154441805595
-821000  ekin = 2.56789243532195 |  erot = 2.54922758508946 | epot = -21.3170915318809 | etot = -16.1999715114695
-822000  ekin = 3.57333066089329 |  erot = 2.21054956102183 | epot = -21.2861057645662 | etot = -15.5022255426511
-823000  ekin = 3.55383413213107 |  erot = 2.72435850620162 | epot = -21.2727846567926 | etot = -14.9945920184599
-824000  ekin = 4.1160622349429 |  erot = 3.29139599112172 | epot = -21.2039659493682 | etot = -13.7965077233036
-825000  ekin = 2.91568774544338 |  erot = 3.47057612959321 | epot = -21.0618933558847 | etot = -14.6756294808481
-826000  ekin = 1.71667097443836 |  erot = 1.97830555981832 | epot = -20.877676668146 | etot = -17.1827001338893
-827000  ekin = 1.87676981471837 |  erot = 2.56467088925009 | epot = -20.7862250182708 | etot = -16.3447843143024
-828000  ekin = 2.38071607948713 |  erot = 2.54624446499465 | epot = -20.7057379171107 | etot = -15.778777372629
-829000  ekin = 2.23087866970086 |  erot = 1.78456567522681 | epot = -20.6078136299298 | etot = -16.5923692850021
-830000  ekin = 2.54758016482261 |  erot = 2.32440405635603 | epot = -20.4881081818274 | etot = -15.6161239606487
-831000  ekin = 2.68445862644274 |  erot = 2.08263260479753 | epot = -20.3542193485844 | etot = -15.5871281173442
-832000  ekin = 2.63412360308727 |  erot = 2.01244922883236 | epot = -20.215817212176 | etot = -15.5692443802563
-833000  ekin = 2.52816532834198 |  erot = 2.59604450500369 | epot = -20.1546011863618 | etot = -15.0303913530161
-834000  ekin = 2.89178882882708 |  erot = 2.32656568068784 | epot = -20.1544579940429 | etot = -14.936103484528
-835000  ekin = 2.77377023733644 |  erot = 2.76167763911259 | epot = -20.2925945781537 | etot = -14.7571467017047
-836000  ekin = 2.5461758373878 |  erot = 2.86272526489881 | epot = -20.4572179712234 | etot = -15.0483168689368
-837000  ekin = 1.73852270651189 |  erot = 1.97943492340463 | epot = -20.5100877279362 | etot = -16.7921300980197
-838000  ekin = 1.97190789156808 |  erot = 2.79058337256638 | epot = -20.5305299708183 | etot = -15.7680387066838
-839000  ekin = 1.97773711155226 |  erot = 2.72413991034569 | epot = -20.5265807034223 | etot = -15.8247036815244
-840000  ekin = 1.72329638748709 |  erot = 2.96738113282628 | epot = -20.6321231069653 | etot = -15.9414455866519
-841000  ekin = 2.83071457484448 |  erot = 2.84941397463212 | epot = -20.7926258530585 | etot = -15.1124973035819
-842000  ekin = 2.59731855411368 |  erot = 2.84178819703383 | epot = -20.8313063579288 | etot = -15.3921996067813
-843000  ekin = 2.04928376150595 |  erot = 2.61288435498261 | epot = -20.8099267672998 | etot = -16.1477586508113
-844000  ekin = 1.54583411960153 |  erot = 1.93893729147582 | epot = -20.8613105352917 | etot = -17.3765391242144
-845000  ekin = 2.31382540600799 |  erot = 2.32466241883301 | epot = -20.9823282893205 | etot = -16.3438404644795
-846000  ekin = 2.08903634512997 |  erot = 2.31578856009953 | epot = -21.0646153757684 | etot = -16.6597904705389
-847000  ekin = 2.48001373621179 |  erot = 2.63006614696695 | epot = -21.0262265568771 | etot = -15.9161466736983
-848000  ekin = 2.15184282735255 |  erot = 1.47311006297177 | epot = -21.0583979355085 | etot = -17.4334450451842
-849000  ekin = 2.01842760273387 |  erot = 2.48110730715335 | epot = -21.0805165806606 | etot = -16.5809816707734
-850000  ekin = 2.55741512224125 |  erot = 2.68263416508461 | epot = -21.0773082596903 | etot = -15.8372589723644
-851000  ekin = 2.18005669935449 |  erot = 2.93569398882538 | epot = -21.0924777064981 | etot = -15.9767270183182
-852000  ekin = 2.4696261459638 |  erot = 2.47026576605629 | epot = -21.121182921383 | etot = -16.1812910093629
-853000  ekin = 2.39950550338299 |  erot = 2.98750142132014 | epot = -21.0612995182631 | etot = -15.67429259356
-854000  ekin = 2.33465924490094 |  erot = 2.85274307519462 | epot = -20.968723969517 | etot = -15.7813216494214
-855000  ekin = 2.3422738818298 |  erot = 2.06894784165372 | epot = -20.9841257021182 | etot = -16.5729039786347
-856000  ekin = 2.50117711580693 |  erot = 2.74791206324423 | epot = -20.8738269143243 | etot = -15.6247377352732
-857000  ekin = 2.54090672086302 |  erot = 3.01990349760069 | epot = -20.7453092144205 | etot = -15.1844989959568
-858000  ekin = 3.06946696795817 |  erot = 2.15496603972172 | epot = -20.6851307548641 | etot = -15.4606977471842
-859000  ekin = 2.85023303418271 |  erot = 2.24419946408454 | epot = -20.6787263175177 | etot = -15.5842938192505
-860000  ekin = 2.81341243833326 |  erot = 1.51974619370821 | epot = -20.6783502445099 | etot = -16.3451916124685
-861000  ekin = 2.27419936469319 |  erot = 2.84736568193219 | epot = -20.6476685348769 | etot = -15.5261034882515
-862000  ekin = 2.99814535919907 |  erot = 1.87200304458179 | epot = -20.6714218686896 | etot = -15.8012734649087
-863000  ekin = 2.82320132781551 |  erot = 1.77959785908835 | epot = -20.7642045825074 | etot = -16.1614053956035
-864000  ekin = 2.91892607599649 |  erot = 2.64325528924267 | epot = -20.9317153856013 | etot = -15.3695340203621
-865000  ekin = 3.32989545880504 |  erot = 2.25510784979563 | epot = -21.0557741374338 | etot = -15.4707708288331
-866000  ekin = 2.85710406140164 |  erot = 3.16185395635699 | epot = -21.1425088224093 | etot = -15.1235508046507
-867000  ekin = 2.74742982523498 |  erot = 3.06773761977148 | epot = -21.134531707449 | etot = -15.3193642624426
-868000  ekin = 2.1948650568198 |  erot = 2.22458860510737 | epot = -21.0697126630059 | etot = -16.6502590010787
-869000  ekin = 2.92239964068214 |  erot = 2.50065925324413 | epot = -21.0149378764857 | etot = -15.5918789825595
-870000  ekin = 2.48931117933877 |  erot = 2.13038554226927 | epot = -20.9976655364142 | etot = -16.3779688148061
-871000  ekin = 2.19107246828585 |  erot = 2.37839051284132 | epot = -20.8765191273408 | etot = -16.3070561462136
-872000  ekin = 1.55081886521515 |  erot = 2.09762459684261 | epot = -20.8521940121747 | etot = -17.203750550117
-873000  ekin = 1.3896067615701 |  erot = 2.27757856660906 | epot = -20.9255865429236 | etot = -17.2584012147445
-874000  ekin = 1.41282979514325 |  erot = 2.76881886831622 | epot = -21.0901483490344 | etot = -16.9084996855749
-875000  ekin = 1.18979270807644 |  erot = 2.71872907877546 | epot = -21.2270266717577 | etot = -17.3185048849058
-876000  ekin = 1.81100671707876 |  erot = 2.98963277694411 | epot = -21.2472610575188 | etot = -16.446621563496
-877000  ekin = 2.36243541111364 |  erot = 2.03609143795482 | epot = -21.3277863705839 | etot = -16.9292595215155
-878000  ekin = 2.12451961824681 |  erot = 1.75451707226955 | epot = -21.3222506595257 | etot = -17.4432139690093
-879000  ekin = 2.2716997631568 |  erot = 2.70191568133045 | epot = -21.3119311913779 | etot = -16.3383157468906
-880000  ekin = 2.68326313012635 |  erot = 2.77340532358103 | epot = -21.3535728447366 | etot = -15.8969043910293
-881000  ekin = 2.87483307600209 |  erot = 2.33652901733378 | epot = -21.3292700652532 | etot = -16.1179079719173
-882000  ekin = 2.32758906799515 |  erot = 2.16795489269515 | epot = -21.2584233833351 | etot = -16.7628794226448
-883000  ekin = 2.35908631800799 |  erot = 1.97904048991531 | epot = -21.0655746410777 | etot = -16.7274478331544
-884000  ekin = 2.52269362644082 |  erot = 2.25025361307444 | epot = -20.9641879640376 | etot = -16.1912407245223
-885000  ekin = 2.84711898438829 |  erot = 2.26506458535076 | epot = -20.9641383727442 | etot = -15.8519548030051
-886000  ekin = 3.18322288605135 |  erot = 1.73470875511279 | epot = -21.0012427194847 | etot = -16.0833110783206
-887000  ekin = 2.68813414464724 |  erot = 2.50204216522369 | epot = -21.067976555709 | etot = -15.8778002458381
-888000  ekin = 2.15187544250472 |  erot = 2.83221089603917 | epot = -21.1763900792301 | etot = -16.1923037406862
-889000  ekin = 2.16956995574787 |  erot = 2.20198656261183 | epot = -21.1017572530619 | etot = -16.7302007347022
-890000  ekin = 1.78556825977743 |  erot = 2.98410700070924 | epot = -21.186208638226 | etot = -16.4165333777394
-891000  ekin = 1.64917016933854 |  erot = 2.2775040392346 | epot = -21.3189640243097 | etot = -17.3922898157365
-892000  ekin = 1.96583947510742 |  erot = 2.36271973263346 | epot = -21.4596361006042 | etot = -17.1310768928634
-893000  ekin = 1.79314340564254 |  erot = 1.84111074899918 | epot = -21.5470179462123 | etot = -17.9127637915706
-894000  ekin = 2.81442382935654 |  erot = 2.80759818283315 | epot = -21.6538835081476 | etot = -16.031861495958
-895000  ekin = 2.0070369904664 |  erot = 2.75374249882318 | epot = -21.7499760057857 | etot = -16.9891965164962
-896000  ekin = 1.6507008342202 |  erot = 2.56296228195541 | epot = -21.8927812332096 | etot = -17.679118117034
-897000  ekin = 1.78139405234358 |  erot = 2.35356223356247 | epot = -22.0286409132692 | etot = -17.8936846273632
-898000  ekin = 1.85207490030025 |  erot = 2.39285557286479 | epot = -22.0495390022753 | etot = -17.8046085291103
-899000  ekin = 1.66216066819287 |  erot = 3.04222938639383 | epot = -21.9579747350568 | etot = -17.2535846804701
-900000  ekin = 2.15165827067079 |  erot = 2.62356927804176 | epot = -21.9156104880733 | etot = -17.1403829393607
-901000  ekin = 2.41248642142908 |  erot = 2.69714418093218 | epot = -21.9837417963999 | etot = -16.8741111940386
-902000  ekin = 2.57545214239909 |  erot = 2.40635843208184 | epot = -21.996436412966 | etot = -17.0146258384851
-903000  ekin = 2.40335601179058 |  erot = 2.40575417529011 | epot = -22.0230111828253 | etot = -17.2139009957446
-904000  ekin = 1.99365997109403 |  erot = 3.12264199705155 | epot = -22.0954468558153 | etot = -16.9791448876697
-905000  ekin = 2.45160047861299 |  erot = 2.11889478277437 | epot = -22.0620083174753 | etot = -17.491513056088
-906000  ekin = 2.69446662881179 |  erot = 1.66991631401457 | epot = -22.0555442490735 | etot = -17.6911613062472
-907000  ekin = 2.57344988637111 |  erot = 2.16877319112329 | epot = -22.0376984236082 | etot = -17.2954753461138
-908000  ekin = 2.96467760769891 |  erot = 2.40252252045293 | epot = -22.0191047803794 | etot = -16.6519046522276
-909000  ekin = 3.12793409264581 |  erot = 2.12009742665766 | epot = -22.0610667288554 | etot = -16.813035209552
-910000  ekin = 2.92206025021313 |  erot = 3.50302372345589 | epot = -22.1277774480558 | etot = -15.7026934743868
-911000  ekin = 1.85381948048669 |  erot = 2.73401011795405 | epot = -22.1683975531304 | etot = -17.5805679546896
-912000  ekin = 2.64405242900444 |  erot = 1.86324838607163 | epot = -22.2002570143971 | etot = -17.6929561993211
-913000  ekin = 2.46824283660222 |  erot = 2.03086335466052 | epot = -22.3203806242275 | etot = -17.8212744329648
-914000  ekin = 2.01871966356281 |  erot = 2.94283156821208 | epot = -22.3513452914152 | etot = -17.3897940596404
-915000  ekin = 2.82676643872102 |  erot = 2.11643553756711 | epot = -22.3640471312087 | etot = -17.4208451549205
-916000  ekin = 2.54227707175729 |  erot = 3.23335822897872 | epot = -22.4652663102875 | etot = -16.6896310095515
-917000  ekin = 2.31676859881433 |  erot = 2.24272005825761 | epot = -22.4635852813361 | etot = -17.9040966242641
-918000  ekin = 2.08681780124232 |  erot = 2.05685815910104 | epot = -22.3748058531194 | etot = -18.231129892776
-919000  ekin = 2.60282015977208 |  erot = 2.38968293687317 | epot = -22.3822670579485 | etot = -17.3897639613033
-920000  ekin = 3.21847224306531 |  erot = 2.75010700480467 | epot = -22.4646189595793 | etot = -16.4960397117093
-921000  ekin = 2.67829101318105 |  erot = 1.98386933580364 | epot = -22.5250186592845 | etot = -17.8628583102998
-922000  ekin = 1.43283799739774 |  erot = 1.5210967069851 | epot = -22.5925015236451 | etot = -19.6385668192623
-923000  ekin = 1.69052063428542 |  erot = 1.88300391650268 | epot = -22.66377714455 | etot = -19.0902525937619
-924000  ekin = 2.14340021014736 |  erot = 1.52248843908133 | epot = -22.6402388027506 | etot = -18.9743501535219
-925000  ekin = 2.26091939109784 |  erot = 1.33050454776919 | epot = -22.5227280014395 | etot = -18.9313040625724
-926000  ekin = 2.00930540350536 |  erot = 2.07372939007629 | epot = -22.4428200376094 | etot = -18.3597852440277
-927000  ekin = 2.5328908262125 |  erot = 1.99783542507571 | epot = -22.5727269691716 | etot = -18.0420007178834
-928000  ekin = 2.57275295957812 |  erot = 2.50503787417692 | epot = -22.7397714760282 | etot = -17.6619806422732
-929000  ekin = 2.66131598383108 |  erot = 1.82871097568714 | epot = -22.7889092091996 | etot = -18.2988822496813
-930000  ekin = 2.41369096322635 |  erot = 2.00598415451169 | epot = -22.802343205586 | etot = -18.3826680878479
-931000  ekin = 3.02636364754007 |  erot = 2.11596225016102 | epot = -22.7562575819635 | etot = -17.6139316842624
-932000  ekin = 2.34573343934799 |  erot = 1.88269819474442 | epot = -22.8028018252265 | etot = -18.5743701911341
-933000  ekin = 2.16951834533283 |  erot = 2.85677231086966 | epot = -22.8240172791918 | etot = -17.7977266229894
-934000  ekin = 2.17177152489559 |  erot = 2.1194660688678 | epot = -22.8652321779361 | etot = -18.5739945841727
-935000  ekin = 2.34485090948927 |  erot = 2.23417606918542 | epot = -22.85888707632 | etot = -18.2798600976453
-936000  ekin = 2.28188124919414 |  erot = 2.53015822921571 | epot = -22.9782518612072 | etot = -18.1662123827973
-937000  ekin = 2.30619254942948 |  erot = 2.82857457174385 | epot = -23.071665648819 | etot = -17.9368985276457
-938000  ekin = 2.44229226509269 |  erot = 2.00737414808354 | epot = -23.1363676072135 | etot = -18.6867011940373
-939000  ekin = 2.97744015155648 |  erot = 2.10212870842129 | epot = -23.1206613400026 | etot = -18.0410924800248
-940000  ekin = 3.7421966126526 |  erot = 2.68184060115532 | epot = -23.0494489680041 | etot = -16.6254117541962
-941000  ekin = 3.11307007541058 |  erot = 2.28700344636989 | epot = -22.9451834918749 | etot = -17.5451099700944
-942000  ekin = 3.46654816859627 |  erot = 1.87509182259239 | epot = -22.9048558084883 | etot = -17.5632158172997
-943000  ekin = 3.79224818385642 |  erot = 2.70927084823341 | epot = -22.8698482349085 | etot = -16.3683292028187
-944000  ekin = 2.65995525590795 |  erot = 2.74912726816421 | epot = -22.8317889960132 | etot = -17.422706471941
-945000  ekin = 2.54659137616624 |  erot = 2.02239421261016 | epot = -22.725938832337 | etot = -18.1569532435606
-946000  ekin = 2.46388617435412 |  erot = 1.67037983156325 | epot = -22.5545307163886 | etot = -18.4202647104712
-947000  ekin = 2.40803821488281 |  erot = 1.99424876436282 | epot = -22.4581247656852 | etot = -18.0558377864396
-948000  ekin = 3.53604042034896 |  erot = 2.5799787743484 | epot = -22.3226574127032 | etot = -16.2066382180059
-949000  ekin = 2.9885427180707 |  erot = 2.43476486608199 | epot = -22.1081978358245 | etot = -16.6848902516719
-950000  ekin = 1.85098760333696 |  erot = 3.01138499180169 | epot = -21.9481390655564 | etot = -17.0857664704178
-951000  ekin = 2.24140231384639 |  erot = 2.36101456496683 | epot = -21.9054305662226 | etot = -17.3030136874094
-952000  ekin = 2.17674596142229 |  erot = 1.66164476273624 | epot = -21.8857446244282 | etot = -18.0473539002697
-953000  ekin = 2.32434436644842 |  erot = 1.96780923551529 | epot = -21.8640893071839 | etot = -17.5719357052202
-954000  ekin = 1.49071594272053 |  erot = 3.34931219540536 | epot = -21.7966718941877 | etot = -16.9566437560618
-955000  ekin = 1.88457697665867 |  erot = 2.69006961792184 | epot = -21.7221575712774 | etot = -17.1475109766969
-956000  ekin = 1.69307087749047 |  erot = 2.16469646035311 | epot = -21.6721199805375 | etot = -17.8143526426939
-957000  ekin = 1.73487330688787 |  erot = 1.64307450157791 | epot = -21.6559256952542 | etot = -18.2779778867884
-958000  ekin = 1.60385894866933 |  erot = 2.19168737006629 | epot = -21.6476897105174 | etot = -17.8521433917818
-959000  ekin = 2.59262245343361 |  erot = 2.48219361032085 | epot = -21.6596277279705 | etot = -16.584811664216
-960000  ekin = 2.55386671368679 |  erot = 2.05771846301768 | epot = -21.6626200672137 | etot = -17.0510348905092
-961000  ekin = 2.27765806186204 |  erot = 2.17958354193564 | epot = -21.6544957188757 | etot = -17.1972541150781
-962000  ekin = 1.66004639932187 |  erot = 3.51004740828815 | epot = -21.6650529510448 | etot = -16.4949591434348
-963000  ekin = 1.98935936955203 |  erot = 1.50490949194663 | epot = -21.6088711497268 | etot = -18.1146022882282
-964000  ekin = 2.17983717879189 |  erot = 2.29031074234418 | epot = -21.5586262428097 | etot = -17.0884783216737
-965000  ekin = 2.10787439045543 |  erot = 2.32210778851089 | epot = -21.5497920382512 | etot = -17.1198098592848
-966000  ekin = 3.1408040905672 |  erot = 3.41823133718859 | epot = -21.5836404263087 | etot = -15.0246049985529
-967000  ekin = 3.0568623124503 |  erot = 2.17332066321312 | epot = -21.5260931467357 | etot = -16.2959101710723
-968000  ekin = 2.05064192877793 |  erot = 2.14124924922395 | epot = -21.4479972163208 | etot = -17.2561060383189
-969000  ekin = 2.21517858837653 |  erot = 2.21735686304379 | epot = -21.3822587820383 | etot = -16.9497233306179
-970000  ekin = 2.44665062708038 |  erot = 2.63919176763313 | epot = -21.3192840477867 | etot = -16.2334416530732
-971000  ekin = 2.47241679333996 |  erot = 2.68621090896416 | epot = -21.3036698600043 | etot = -16.1450421577002
-972000  ekin = 3.18976408247807 |  erot = 2.45901954667695 | epot = -21.2523934460447 | etot = -15.6036098168897
-973000  ekin = 3.35475115149159 |  erot = 2.61012752320777 | epot = -21.183068859057 | etot = -15.2181901843576
-974000  ekin = 2.71127807449815 |  erot = 2.1297435585203 | epot = -21.0816906098712 | etot = -16.2406689768527
-975000  ekin = 1.81295894463494 |  erot = 2.07595649769211 | epot = -20.9964165264668 | etot = -17.1075010841398
-976000  ekin = 2.3761992679076 |  erot = 1.37981441384236 | epot = -20.8930101654835 | etot = -17.1369964837335
-977000  ekin = 2.85555210767403 |  erot = 3.03619369635209 | epot = -21.0095574945916 | etot = -15.1178116905655
-978000  ekin = 3.13849116757389 |  erot = 3.01118356119965 | epot = -21.0732326779662 | etot = -14.9235579491927
-979000  ekin = 3.64170438280054 |  erot = 2.46121267957824 | epot = -20.9593695826043 | etot = -14.8564525202255
-980000  ekin = 3.43680535726821 |  erot = 3.27333588575054 | epot = -20.9004670674902 | etot = -14.1903258244714
-981000  ekin = 2.95806185202903 |  erot = 2.46811293942084 | epot = -20.98680384597 | etot = -15.5606290545201
-982000  ekin = 2.05823037945997 |  erot = 2.23573651589998 | epot = -21.0420814071853 | etot = -16.7481145118254
-983000  ekin = 2.5553610304344 |  erot = 1.97272050888113 | epot = -21.0434200461187 | etot = -16.5153385068031
-984000  ekin = 2.32140326985734 |  erot = 2.58284655378619 | epot = -21.0826601835728 | etot = -16.1784103599293
-985000  ekin = 2.30327577152247 |  erot = 3.01569210622986 | epot = -21.1731422974946 | etot = -15.8541744197423
-986000  ekin = 2.0247579133688 |  erot = 2.17885674714072 | epot = -21.2745593334951 | etot = -17.0709446729856
-987000  ekin = 2.38610984160001 |  erot = 1.60437579739601 | epot = -21.2569575649581 | etot = -17.2664719259621
-988000  ekin = 2.73926231299059 |  erot = 2.71146350841209 | epot = -21.1552791211024 | etot = -15.7045532996998
-989000  ekin = 2.26697151561908 |  erot = 2.87750604798637 | epot = -21.0937789068057 | etot = -15.9493013432003
-990000  ekin = 2.20943106152859 |  erot = 2.59684886899362 | epot = -21.0203331776817 | etot = -16.2140532471594
-991000  ekin = 2.18249266283081 |  erot = 2.5464965741117 | epot = -20.9130337682104 | etot = -16.1840445312678
-992000  ekin = 1.6979885228163 |  erot = 2.49592807829765 | epot = -20.9758495875099 | etot = -16.7819329863959
-993000  ekin = 1.37413745875443 |  erot = 1.97736806672933 | epot = -21.0653195519546 | etot = -17.7138140264709
-994000  ekin = 1.46489942286098 |  erot = 2.9578292103502 | epot = -21.1261867461739 | etot = -16.7034581129628
-995000  ekin = 2.313206084368 |  erot = 1.68064795849454 | epot = -21.1907262676308 | etot = -17.1968722247682
-996000  ekin = 2.91635623044139 |  erot = 2.86817278212845 | epot = -21.1749728841881 | etot = -15.3904438716183
-997000  ekin = 3.14117227050211 |  erot = 2.13892951607982 | epot = -21.1714996184257 | etot = -15.8913978318438
-998000  ekin = 2.24297046385175 |  erot = 3.02327291553882 | epot = -21.1032039558863 | etot = -15.8369605764957
-999000  ekin = 2.61553981530106 |  erot = 1.73872891845711 | epot = -21.0217257279765 | etot = -16.6674569942184
-1000000  ekin = 2.34012577497833 |  erot = 2.86436388995813 | epot = -21.020156604404 | etot = -15.8156669394675
- 1000000   0.10400559   -1.3746133  0.060853481   -1.1675019 -8.3808461e-05 
-Loop time of 39.3636 on 4 procs for 1000000 steps with 16 atoms
-
-Performance: 21949.237 tau/day, 25404.210 timesteps/s
-99.2% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.71602    | 15.145     | 28.607     | 317.4 | 38.47
-Bond    | 0.090624   | 0.44555    | 0.74546    |  44.3 |  1.13
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 2.0699     | 2.2587     | 2.5059     |  10.9 |  5.74
-Output  | 3.0994e-05 | 4.0352e-05 | 4.5061e-05 |   0.0 |  0.00
-Modify  | 0.21689    | 2.7926     | 5.2575     | 132.2 |  7.09
-Other   |            | 18.72      |            |       | 47.56
-
-Nlocal:    4 ave 8 max 0 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    11 ave 14 max 8 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Neighs:    46 ave 89 max 0 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 184
-Ave neighs/atom = 11.5
-Ave special neighs/atom = 3.75
-Neighbor list builds = 0
-Dangerous builds = 0
-
-#write_restart config.${number}.*
-Total wall time: 0:00:39
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.1 b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.1
new file mode 100644
index 0000000000..ba36d696fb
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.1
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 2
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex2
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  16 atoms
+  reading velocities ...
+  16 velocities
+  16 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  13 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of 1-4 neighbors
+  6 = max # of special neighbors
+
+set atom * mass 3.1575
+  16 settings made for mass
+
+group all type 1 4
+16 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna2/fene
+bond_coeff * 2.0 0.25 0.7564
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
+pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
+pair_coeff * * oxdna2/dh      0.1 1.0 0.815
+
+# NVE ensemble
+#fix 1 all nve/dot
+fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.6274
+  ghost atom cutoff = 2.6274
+  binsize = 1.3137, bins = 31 31 31
+  6 neighbor lists, perpetual/occasional/extra = 6 0 0
+  (1) pair oxdna2/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna2/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna2/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna2/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) pair oxdna2/dh, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 3.025 | 3.025 | 3.025 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.5358787 0.0096742456   -1.5262045 -7.9568629e-05 
+1000  ekin = 1.54282272464468 |  erot = 1.71757897250772 | epot = -24.4403527731341 | etot = -21.1799510759817
+2000  ekin = 1.86109566690716 |  erot = 1.93804145796026 | epot = -24.3759816748265 | etot = -20.5768445499591
+3000  ekin = 2.68769182431188 |  erot = 2.14559269500086 | epot = -24.2916556822451 | etot = -19.4583711629324
+4000  ekin = 2.04710303757243 |  erot = 1.48774072590987 | epot = -24.190371461807 | etot = -20.6555276983247
+5000  ekin = 1.77654023802719 |  erot = 2.534186505221 | epot = -24.1246365663843 | etot = -19.8139098231361
+6000  ekin = 3.12253137872527 |  erot = 2.04028266818831 | epot = -24.0491248750916 | etot = -18.886310828178
+7000  ekin = 3.22418765752177 |  erot = 2.72037570174023 | epot = -23.9458569915548 | etot = -18.0012936322928
+8000  ekin = 2.83204202112963 |  erot = 2.67060276413777 | epot = -23.9211291529766 | etot = -18.4184843677092
+9000  ekin = 2.69585642754481 |  erot = 2.59559820250212 | epot = -23.8340823338302 | etot = -18.5426277037833
+10000  ekin = 2.66058119525512 |  erot = 1.95965933336077 | epot = -23.7132443170725 | etot = -19.0930037884566
+   10000   0.11824805   -1.4953627  0.013284973   -1.3157914 -0.00012999454 
+Loop time of 0.32781 on 1 procs for 10000 steps with 16 atoms
+
+Performance: 26356.746 tau/day, 30505.493 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.24211    | 0.24211    | 0.24211    |   0.0 | 73.86
+Bond    | 0.0075173  | 0.0075173  | 0.0075173  |   0.0 |  2.29
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.0014515  | 0.0014515  | 0.0014515  |   0.0 |  0.44
+Output  | 5.4836e-06 | 5.4836e-06 | 5.4836e-06 |   0.0 |  0.00
+Modify  | 0.073331   | 0.073331   | 0.073331   |   0.0 | 22.37
+Other   |            | 0.003398   |            |       |  1.04
+
+Nlocal:    16 ave 16 max 16 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    116 ave 116 max 116 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 116
+Ave neighs/atom = 7.25
+Ave special neighs/atom = 3.75
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00
diff --git a/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.4 b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.4
new file mode 100644
index 0000000000..3237d4849e
--- /dev/null
+++ b/examples/USER/cgdna/examples/oxDNA2/duplex2/log.27Nov18.duplex2.g++.4
@@ -0,0 +1,178 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable number	equal 2
+variable ofreq	equal 1000
+variable efreq	equal 1000
+
+units lj
+
+dimension 3
+
+newton off
+
+boundary  p p p
+
+atom_style hybrid bond ellipsoid
+atom_modify sort 0 1.0
+
+# Pair interactions require lists of neighbours to be calculated
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+read_data data.duplex2
+  orthogonal box = (-20 -20 -20) to (20 20 20)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  16 atoms
+  reading velocities ...
+  16 velocities
+  16 ellipsoids
+  scanning bonds ...
+  2 = max bonds/atom
+  reading bonds ...
+  13 bonds
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of 1-4 neighbors
+  6 = max # of special neighbors
+
+set atom * mass 3.1575
+  16 settings made for mass
+
+group all type 1 4
+16 atoms in group all
+
+# oxDNA bond interactions - FENE backbone
+bond_style oxdna2/fene
+bond_coeff * 2.0 0.25 0.7564
+
+# oxDNA pair interactions
+pair_style hybrid/overlay oxdna2/excv oxdna2/stk oxdna2/hbond oxdna2/xstk oxdna2/coaxstk oxdna2/dh
+pair_coeff * * oxdna2/excv    2.0 0.7 0.675 2.0 0.515 0.5 2.0 0.33 0.32
+pair_coeff * * oxdna2/stk     seqav 0.1 6.0 0.4 0.9 0.32 0.6 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 2.0 0.65 2.0 0.65
+pair_coeff * * oxdna2/hbond   seqav 0.0 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 1 4 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff 2 3 oxdna2/hbond   seqav 1.0678 8.0 0.4 0.75 0.34 0.7 1.5 0 0.7 1.5 0 0.7 1.5 0 0.7 0.46 3.141592653589793 0.7 4.0 1.5707963267948966 0.45 4.0 1.5707963267948966 0.45
+pair_coeff * * oxdna2/xstk    47.5 0.575 0.675 0.495 0.655 2.25 0.791592653589793 0.58 1.7 1.0 0.68 1.7 1.0 0.68 1.5 0 0.65 1.7 0.875 0.68 1.7 0.875 0.68
+pair_coeff * * oxdna2/coaxstk 58.5 0.4 0.6 0.22 0.58 2.0 2.891592653589793 0.65 1.3 0 0.8 0.9 0 0.95 0.9 0 0.95 40.0 3.116592653589793
+pair_coeff * * oxdna2/dh      0.1 1.0 0.815
+
+# NVE ensemble
+#fix 1 all nve/dot
+fix 1 all nve/dotc/langevin 0.1 0.1 0.03 457145 angmom 10
+#fix 1 all nve/asphere
+#fix 2 all langevin 0.1 0.1 0.03 457145 angmom 10
+
+timestep 1e-5
+
+#comm_style tiled
+#fix 3 all balance 10000 1.1 rcb
+
+#compute mol all chunk/atom molecule
+#compute mychunk all vcm/chunk mol
+#fix 4 all ave/time 10000 1 10000 c_mychunk[1] c_mychunk[2] c_mychunk[3] file vcm.txt mode vector
+
+#dump pos all xyz ${ofreq} traj.${number}.xyz
+
+#compute quat all property/atom quatw quati quatj quatk
+#dump quat all custom ${ofreq} quat.${number}.txt id c_quat[1] c_quat[2] c_quat[3] c_quat[4]
+#dump_modify quat sort id
+#dump_modify quat format line "%d  %13.6le  %13.6le  %13.6le  %13.6le"
+
+compute erot all erotate/asphere
+compute ekin all ke
+compute epot all pe
+variable erot equal c_erot
+variable ekin equal c_ekin
+variable epot equal c_epot
+variable etot equal c_erot+c_ekin+c_epot
+fix 5 all print ${efreq} "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+fix 5 all print 1000 "$(step)  ekin = ${ekin} |  erot = ${erot} | epot = ${epot} | etot = ${etot}" screen yes
+
+#dump out all custom ${ofreq} out.${number}.txt id x y z vx vy vz fx fy fz tqx tqy tqz
+#dump_modify out sort id
+#dump_modify out format line "%d   %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le  %13.6le %13.6le %13.6le"
+
+run 10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 2.6274
+  ghost atom cutoff = 2.6274
+  binsize = 1.3137, bins = 31 31 31
+  6 neighbor lists, perpetual/occasional/extra = 6 0 0
+  (1) pair oxdna2/excv, perpetual
+      attributes: half, newton off
+      pair build: half/bin/newtoff
+      stencil: half/bin/3d/newtoff
+      bin: standard
+  (2) pair oxdna2/stk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (3) pair oxdna2/hbond, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (4) pair oxdna2/xstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) pair oxdna2/coaxstk, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) pair oxdna2/dh, perpetual, copy from (1)
+      attributes: half, newton off
+      pair build: copy
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 7.777 | 7.959 | 8.142 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -1.5358787 0.0096742456   -1.5262045 -7.9568629e-05 
+1000  ekin = 1.34554291364716 |  erot = 2.30525041754444 | epot = -24.3924150888896 | etot = -20.741621757698
+2000  ekin = 2.15972469811184 |  erot = 2.1628675965276 | epot = -24.3548203354875 | etot = -20.0322280408481
+3000  ekin = 3.26433550542939 |  erot = 2.76107866472085 | epot = -24.2947953202752 | etot = -18.269381150125
+4000  ekin = 1.9203212531997 |  erot = 2.13339438425299 | epot = -24.234098584123 | etot = -20.1803829466703
+5000  ekin = 1.35481075814721 |  erot = 2.00854026688447 | epot = -24.1768963201279 | etot = -20.8135452950963
+6000  ekin = 2.18974627635306 |  erot = 1.73271671162435 | epot = -24.1096616118305 | etot = -20.1871986238531
+7000  ekin = 2.65472853187395 |  erot = 1.73258720631296 | epot = -24.0561118130561 | etot = -19.6687960748691
+8000  ekin = 2.51192327964357 |  erot = 2.34132844779952 | epot = -23.9708695663488 | etot = -19.1176178389058
+9000  ekin = 2.24554900802464 |  erot = 2.0522939078286 | epot = -23.874757758319 | etot = -19.5769148424658
+10000  ekin = 2.36227360512089 |  erot = 1.80185994066737 | epot = -23.7793375260418 | etot = -19.6152039802535
+   10000   0.10498994   -1.5020657  0.015857071   -1.3385665 -8.8930899e-05 
+Loop time of 0.291642 on 4 procs for 10000 steps with 16 atoms
+
+Performance: 29625.313 tau/day, 34288.557 timesteps/s
+96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.0035026  | 0.1107     | 0.20674    |  28.3 | 37.96
+Bond    | 0.00062203 | 0.0029532  | 0.0049176  |   3.6 |  1.01
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.016712   | 0.018041   | 0.01914    |   0.7 |  6.19
+Output  | 5.0306e-05 | 5.424e-05  | 5.579e-05  |   0.0 |  0.02
+Modify  | 0.0013862  | 0.020914   | 0.039594   |  11.7 |  7.17
+Other   |            | 0.139      |            |       | 47.65
+
+Nlocal:    4 ave 8 max 0 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    11 ave 14 max 8 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    46 ave 89 max 0 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 184
+Ave neighs/atom = 11.5
+Ave special neighs/atom = 3.75
+Neighbor list builds = 0
+Dangerous builds = 0
+
+#write_restart config.${number}.*
+Total wall time: 0:00:00

From a5f75bbabd3c2071770313e5ed074a58f10d0075 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 04:33:33 -0500
Subject: [PATCH 250/273] plug memory leaks in USER-CGDNA package pair styles

---
 src/USER-CGDNA/pair_oxdna2_coaxstk.cpp | 1 +
 src/USER-CGDNA/pair_oxdna_coaxstk.cpp  | 1 +
 src/USER-CGDNA/pair_oxdna_hbond.cpp    | 1 +
 src/USER-CGDNA/pair_oxdna_xstk.cpp     | 1 +
 4 files changed, 4 insertions(+)

diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
index 569f911eb9..0b220a3275 100644
--- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
@@ -64,6 +64,7 @@ PairOxdna2Coaxstk::~PairOxdna2Coaxstk()
     memory->destroy(cut_cxst_hc);
     memory->destroy(b_cxst_lo);
     memory->destroy(b_cxst_hi);
+    memory->destroy(cutsq_cxst_hc);
 
     memory->destroy(a_cxst1);
     memory->destroy(theta_cxst1_0);
diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
index ca03bcb35c..ef0ff16150 100644
--- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
@@ -64,6 +64,7 @@ PairOxdnaCoaxstk::~PairOxdnaCoaxstk()
     memory->destroy(cut_cxst_hc);
     memory->destroy(b_cxst_lo);
     memory->destroy(b_cxst_hi);
+    memory->destroy(cutsq_cxst_hc);
 
     memory->destroy(a_cxst1);
     memory->destroy(theta_cxst1_0);
diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp
index cb9f61bd7e..d8305e30de 100644
--- a/src/USER-CGDNA/pair_oxdna_hbond.cpp
+++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp
@@ -74,6 +74,7 @@ PairOxdnaHbond::~PairOxdnaHbond()
     memory->destroy(b_hb_lo);
     memory->destroy(b_hb_hi);
     memory->destroy(shift_hb);
+    memory->destroy(cutsq_hb_hc);
 
     memory->destroy(a_hb1);
     memory->destroy(theta_hb1_0);
diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp
index c4c23bf2c9..a354a604fd 100644
--- a/src/USER-CGDNA/pair_oxdna_xstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp
@@ -64,6 +64,7 @@ PairOxdnaXstk::~PairOxdnaXstk()
     memory->destroy(cut_xst_hc);
     memory->destroy(b_xst_lo);
     memory->destroy(b_xst_hi);
+    memory->destroy(cutsq_xst_hc);
 
     memory->destroy(a_xst1);
     memory->destroy(theta_xst1_0);

From c44620f00e564874dd09d884999d108a0692eca3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 04:34:00 -0500
Subject: [PATCH 251/273] make sure all class pointers in the LAMMPS class are
 initialized to NULL

some early use of the LAMMPS class may produce segmentation faults,
if member classes are not yet initialized and their pointers are
pointing to random locations. For NULL we can easily test.
---
 src/lammps.cpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/lammps.cpp b/src/lammps.cpp
index 699efe37a3..894239924d 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -65,13 +65,15 @@ static void print_style(FILE *fp, const char *str, int &pos);
    input is allocated at end after MPI info is setup
 ------------------------------------------------------------------------- */
 
-LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
+LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
+  memory(NULL), error(NULL), universe(NULL), input(NULL), atom(NULL),
+  update(NULL), neighbor(NULL), comm(NULL), domain(NULL), force(NULL),
+  modify(NULL), group(NULL), output(NULL), timer(NULL), kokkos(NULL),
+  atomKK(NULL), memoryKK(NULL), python(NULL), citeme(NULL)
 {
   memory = new Memory(this);
   error = new Error(this);
   universe = new Universe(this,communicator);
-  output = NULL;
-  python = NULL;
 
   clientserver = 0;
   cslib = NULL;

From 8ce60d8761c33f4b53c18a7bc07b91a97a3285cb Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 05:03:26 -0500
Subject: [PATCH 252/273] update USER-CGSDK and USER-COLVARS log files

---
 ...angle => log.27Nov18.pegc12e8-angle.g++.1} |  64 +-
 .../log.27Nov18.pegc12e8-angle.g++.4          | 127 ++++
 ...og.pegc12e8 => log.27Nov18.pegc12e8.g++.1} |  64 +-
 .../peg-verlet/log.27Nov18.pegc12e8.g++.4     | 127 ++++
 .../log.27Nov18.sds-hybrid.g++.1              | 145 ++++
 ...ds-hybrid => log.27Nov18.sds-hybrid.g++.4} |  50 +-
 .../log.27Nov18.sds-regular.g++.1             | 129 ++++
 ...-regular => log.27Nov18.sds-regular.g++.4} |  43 +-
 ...vars => log.27Nov18.peptide-colvars.g++.1} | 518 +++++++++------
 .../colvars/log.27Nov18.peptide-colvars.g++.4 | 629 ++++++++++++++++++
 ...rs2 => log.27Nov18.peptide-colvars2.g++.1} | 171 +++--
 .../log.27Nov18.peptide-colvars2.g++.4        | 260 ++++++++
 .../colvars/log.27Nov18.peptide-spring.g++.1  | 163 +++++
 .../colvars/log.27Nov18.peptide-spring.g++.4  | 163 +++++
 .../colvars/log.27Nov18.peptide-spring2.g++.1 | 158 +++++
 .../colvars/log.27Nov18.peptide-spring2.g++.4 | 158 +++++
 examples/USER/colvars/log.peptide-colvars-1   | 516 --------------
 examples/USER/colvars/log.peptide-colvars-4   | 516 --------------
 examples/USER/colvars/log.peptide-colvars2-1  | 182 -----
 examples/USER/colvars/log.peptide-colvars2-4  | 182 -----
 examples/USER/colvars/log.peptide-spring      | 150 -----
 examples/USER/colvars/log.peptide-spring2     | 145 ----
 examples/USER/colvars/out.colvars.state       |   9 +-
 examples/USER/colvars/out.colvars.state.old   |  23 +
 examples/USER/colvars/out.colvars.traj        | 305 ++++++---
 examples/USER/colvars/out2.colvars.state      |   9 +-
 examples/USER/colvars/out2.colvars.traj       | 204 +++---
 examples/USER/colvars/peptide2.colvars.state  |   7 +-
 examples/USER/colvars/peptide2.colvars.traj   | 204 +++---
 29 files changed, 3044 insertions(+), 2377 deletions(-)
 rename examples/USER/cgsdk/peg-verlet/{log.pegc12e8-angle => log.27Nov18.pegc12e8-angle.g++.1} (66%)
 create mode 100644 examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4
 rename examples/USER/cgsdk/peg-verlet/{log.pegc12e8 => log.27Nov18.pegc12e8.g++.1} (66%)
 create mode 100644 examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.4
 create mode 100644 examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.1
 rename examples/USER/cgsdk/sds-monolayer/{log.sds-hybrid => log.27Nov18.sds-hybrid.g++.4} (72%)
 create mode 100644 examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.1
 rename examples/USER/cgsdk/sds-monolayer/{log.sds-regular => log.27Nov18.sds-regular.g++.4} (72%)
 rename examples/USER/colvars/{log.peptide-colvars => log.27Nov18.peptide-colvars.g++.1} (52%)
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-colvars.g++.4
 rename examples/USER/colvars/{log.peptide-colvars2 => log.27Nov18.peptide-colvars2.g++.1} (56%)
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.4
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-spring.g++.1
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-spring.g++.4
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-spring2.g++.1
 create mode 100644 examples/USER/colvars/log.27Nov18.peptide-spring2.g++.4
 delete mode 100644 examples/USER/colvars/log.peptide-colvars-1
 delete mode 100644 examples/USER/colvars/log.peptide-colvars-4
 delete mode 100644 examples/USER/colvars/log.peptide-colvars2-1
 delete mode 100644 examples/USER/colvars/log.peptide-colvars2-4
 delete mode 100644 examples/USER/colvars/log.peptide-spring
 delete mode 100644 examples/USER/colvars/log.peptide-spring2
 create mode 100644 examples/USER/colvars/out.colvars.state.old

diff --git a/examples/USER/cgsdk/peg-verlet/log.pegc12e8-angle b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.1
similarity index 66%
rename from examples/USER/cgsdk/peg-verlet/log.pegc12e8-angle
rename to examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.1
index c57ca24963..0650210418 100644
--- a/examples/USER/cgsdk/peg-verlet/log.pegc12e8-angle
+++ b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -19,7 +18,7 @@ special_bonds	lj/coul 0.0 0.0 1.0
 
 read_data	data.pegc12e8.gz
   orthogonal box = (-63.7 -63.7 -200) to (63.7 63.7 200)
-  2 by 1 by 1 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   40140 atoms
   reading velocities ...
@@ -52,59 +51,71 @@ fix		1 all nvt temp 303.0 303.0 100.0
 thermo_style	multi
 thermo		200
 run		1000
-Memory usage per processor = 12.4188 Mbytes
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 15 15 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 47.18 | 47.18 | 47.18 Mbytes
 ---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
 TotEng   =   -217835.8659 KinEng   =     36252.9606 Temp     =       303.0000 
 PotEng   =   -254088.8265 E_bond   =      4468.5931 E_angle  =      3565.0955 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262122.5151 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =       114.4952 
----------------- Step      200 ----- CPU =      8.7547 (sec) ----------------
+---------------- Step      200 ----- CPU =     11.2079 (sec) ----------------
 TotEng   =   -217870.2208 KinEng   =     36451.9852 Temp     =       304.6634 
 PotEng   =   -254322.2060 E_bond   =      4534.3652 E_angle  =      3349.2174 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262205.7887 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        39.4030 
----------------- Step      400 ----- CPU =     17.7479 (sec) ----------------
+---------------- Step      400 ----- CPU =     22.6137 (sec) ----------------
 TotEng   =   -218169.7022 KinEng   =     36263.1022 Temp     =       303.0848 
 PotEng   =   -254432.8045 E_bond   =      4598.1819 E_angle  =      3416.3763 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262447.3627 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =         9.8923 
----------------- Step      600 ----- CPU =     26.7299 (sec) ----------------
+---------------- Step      600 ----- CPU =     33.9441 (sec) ----------------
 TotEng   =   -217912.9317 KinEng   =     36465.5757 Temp     =       304.7770 
 PotEng   =   -254378.5074 E_bond   =      4648.1881 E_angle  =      3412.8346 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262439.5301 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        25.6392 
----------------- Step      800 ----- CPU =     35.8941 (sec) ----------------
+---------------- Step      800 ----- CPU =     45.4291 (sec) ----------------
 TotEng   =   -218439.8078 KinEng   =     36035.8518 Temp     =       301.1854 
 PotEng   =   -254475.6596 E_bond   =      4557.5842 E_angle  =      3438.5605 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262471.8043 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        -1.6281 
----------------- Step     1000 ----- CPU =     45.1542 (sec) ----------------
+---------------- Step     1000 ----- CPU =     56.9328 (sec) ----------------
 TotEng   =   -217925.0543 KinEng   =     36271.3928 Temp     =       303.1541 
 PotEng   =   -254196.4471 E_bond   =      4624.7673 E_angle  =      3487.7805 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262308.9949 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        -7.3081 
+Loop time of 56.9329 on 1 procs for 1000 steps with 40140 atoms
 
-Loop time of 45.1542 on 2 procs for 1000 steps with 40140 atoms
-99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 9.567 ns/day  2.509 hours/ns  22.146 timesteps/s
+Performance: 7.588 ns/day, 3.163 hours/ns, 17.565 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 38.906     | 38.953     | 39.001     |   0.8 | 86.27
-Bond    | 0.90927    | 0.96844    | 1.0276     |   6.0 |  2.14
-Neigh   | 3.7623     | 3.7641     | 3.766      |   0.1 |  8.34
-Comm    | 0.56974    | 0.67309    | 0.77643    |  12.6 |  1.49
-Output  | 0.00067949 | 0.00072169 | 0.00076389 |   0.2 |  0.00
-Modify  | 0.52627    | 0.53756    | 0.54885    |   1.5 |  1.19
-Other   |            | 0.2571     |            |       |  0.57
+Pair    | 50.734     | 50.734     | 50.734     |   0.0 | 89.11
+Bond    | 0.94032    | 0.94032    | 0.94032    |   0.0 |  1.65
+Neigh   | 4.5195     | 4.5195     | 4.5195     |   0.0 |  7.94
+Comm    | 0.15045    | 0.15045    | 0.15045    |   0.0 |  0.26
+Output  | 0.00056767 | 0.00056767 | 0.00056767 |   0.0 |  0.00
+Modify  | 0.47228    | 0.47228    | 0.47228    |   0.0 |  0.83
+Other   |            | 0.1154     |            |       |  0.20
 
-Nlocal:    20070 ave 20100 max 20040 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    20230.5 ave 20241 max 20220 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    2.84338e+06 ave 2.85198e+06 max 2.83477e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    40140 ave 40140 max 40140 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    25966 ave 25966 max 25966 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5.68676e+06 ave 5.68676e+06 max 5.68676e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 5686756
 Ave neighs/atom = 141.673
@@ -113,3 +124,4 @@ Neighbor list builds = 38
 Dangerous builds = 0
 #write_restart	pegc12e8-1.restart
 
+Total wall time: 0:00:57
diff --git a/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4 b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4
new file mode 100644
index 0000000000..bebab0e390
--- /dev/null
+++ b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4
@@ -0,0 +1,127 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+dimension	3
+atom_style	angle
+
+# enforce that in z-direction there is only one
+# processor (could be two) for optimal performance
+processors * * 1
+
+# read topology and force field
+pair_style	lj/sdk 15.0
+bond_style	harmonic
+angle_style	sdk
+special_bonds	lj/coul 0.0 0.0 1.0
+
+read_data	data.pegc12e8.gz
+  orthogonal box = (-63.7 -63.7 -200) to (63.7 63.7 200)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  40140 atoms
+  reading velocities ...
+  40140 velocities
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  13284 bonds
+  reading angles ...
+  12177 angles
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of special neighbors
+
+neighbor	3.0 bin
+neigh_modify	delay 5
+
+timestep	5.0
+#dump            1 all xtc 200 pegc12e8-1.xtc
+#dump_modify  1 unwrap yes
+#dump            2 all dcd 200 pegc12e8-1.dcd unwrap
+#dump_modify  2 unwrap yes
+
+velocity all create 303.0 46659 mom yes rot yes dist gaussian
+
+fix		1 all nvt temp 303.0 303.0 100.0
+
+thermo_style	multi
+thermo		200
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 15 15 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 15.87 | 15.87 | 15.87 Mbytes
+---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
+TotEng   =   -217835.8659 KinEng   =     36252.9606 Temp     =       303.0000 
+PotEng   =   -254088.8265 E_bond   =      4468.5931 E_angle  =      3565.0955 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262122.5151 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =       114.4952 
+---------------- Step      200 ----- CPU =      3.0597 (sec) ----------------
+TotEng   =   -217870.2208 KinEng   =     36451.9852 Temp     =       304.6634 
+PotEng   =   -254322.2060 E_bond   =      4534.3652 E_angle  =      3349.2174 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262205.7887 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        39.4030 
+---------------- Step      400 ----- CPU =      6.2514 (sec) ----------------
+TotEng   =   -218169.7022 KinEng   =     36263.1022 Temp     =       303.0848 
+PotEng   =   -254432.8045 E_bond   =      4598.1819 E_angle  =      3416.3763 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262447.3627 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =         9.8923 
+---------------- Step      600 ----- CPU =      9.4073 (sec) ----------------
+TotEng   =   -217912.9317 KinEng   =     36465.5757 Temp     =       304.7770 
+PotEng   =   -254378.5074 E_bond   =      4648.1881 E_angle  =      3412.8346 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262439.5301 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        25.6392 
+---------------- Step      800 ----- CPU =     12.6096 (sec) ----------------
+TotEng   =   -218439.8078 KinEng   =     36035.8518 Temp     =       301.1854 
+PotEng   =   -254475.6596 E_bond   =      4557.5842 E_angle  =      3438.5605 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262471.8043 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        -1.6281 
+---------------- Step     1000 ----- CPU =     15.9134 (sec) ----------------
+TotEng   =   -217925.0543 KinEng   =     36271.3928 Temp     =       303.1541 
+PotEng   =   -254196.4471 E_bond   =      4624.7673 E_angle  =      3487.7805 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262308.9949 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        -7.3081 
+Loop time of 15.9135 on 4 procs for 1000 steps with 40140 atoms
+
+Performance: 27.147 ns/day, 0.884 hours/ns, 62.840 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 13.325     | 13.6       | 13.755     |   4.7 | 85.46
+Bond    | 0.2432     | 0.25007    | 0.25671    |   1.0 |  1.57
+Neigh   | 1.2394     | 1.2399     | 1.2402     |   0.0 |  7.79
+Comm    | 0.41026    | 0.5737     | 0.85471    |  23.4 |  3.61
+Output  | 0.00025368 | 0.0004195  | 0.00091338 |   0.0 |  0.00
+Modify  | 0.17159    | 0.17316    | 0.17459    |   0.3 |  1.09
+Other   |            | 0.0768     |            |       |  0.48
+
+Nlocal:    10035 ave 10084 max 9971 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+Nghost:    14548.8 ave 14610 max 14509 min
+Histogram: 1 0 1 1 0 0 0 0 0 1
+Neighs:    1.42169e+06 ave 1.42961e+06 max 1.40922e+06 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+
+Total # of neighbors = 5686756
+Ave neighs/atom = 141.673
+Ave special neighs/atom = 1.26861
+Neighbor list builds = 38
+Dangerous builds = 0
+#write_restart	pegc12e8-1.restart
+
+Total wall time: 0:00:16
diff --git a/examples/USER/cgsdk/peg-verlet/log.pegc12e8 b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.1
similarity index 66%
rename from examples/USER/cgsdk/peg-verlet/log.pegc12e8
rename to examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.1
index 13f7a0cf18..3c85fcfb54 100644
--- a/examples/USER/cgsdk/peg-verlet/log.pegc12e8
+++ b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -19,7 +18,7 @@ special_bonds	lj/coul 0.0 0.0 1.0
 
 read_data	data.pegc12e8.gz
   orthogonal box = (-63.7 -63.7 -200) to (63.7 63.7 200)
-  2 by 1 by 1 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   40140 atoms
   reading velocities ...
@@ -52,59 +51,71 @@ fix		1 all nvt temp 303.0 303.0 100.0
 thermo_style	multi
 thermo		200
 run		1000
-Memory usage per processor = 12.4188 Mbytes
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 15 15 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 47.18 | 47.18 | 47.18 Mbytes
 ---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
 TotEng   =   -217990.7972 KinEng   =     36252.9606 Temp     =       303.0000 
 PotEng   =   -254243.7577 E_bond   =      4468.5931 E_angle  =      3410.1642 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262122.5151 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =       105.8245 
----------------- Step      200 ----- CPU =      8.6552 (sec) ----------------
+---------------- Step      200 ----- CPU =     11.2074 (sec) ----------------
 TotEng   =   -218203.1886 KinEng   =     36162.5201 Temp     =       302.2441 
 PotEng   =   -254365.7087 E_bond   =      4568.6683 E_angle  =      3409.8838 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262344.2608 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        29.3660 
----------------- Step      400 ----- CPU =     17.5807 (sec) ----------------
+---------------- Step      400 ----- CPU =     22.6113 (sec) ----------------
 TotEng   =   -217955.7366 KinEng   =     36340.4946 Temp     =       303.7316 
 PotEng   =   -254296.2312 E_bond   =      4621.0208 E_angle  =      3512.1547 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262429.4067 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        16.4419 
----------------- Step      600 ----- CPU =     28.1043 (sec) ----------------
+---------------- Step      600 ----- CPU =     34.0551 (sec) ----------------
 TotEng   =   -218291.9151 KinEng   =     36079.2122 Temp     =       301.5478 
 PotEng   =   -254371.1273 E_bond   =      4626.3494 E_angle  =      3476.1668 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262473.6435 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        14.0304 
----------------- Step      800 ----- CPU =     40.5132 (sec) ----------------
+---------------- Step      800 ----- CPU =     45.5316 (sec) ----------------
 TotEng   =   -218539.5667 KinEng   =     36042.0419 Temp     =       301.2372 
 PotEng   =   -254581.6086 E_bond   =      4563.0010 E_angle  =      3616.1814 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262760.7910 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =        -6.8312 
----------------- Step     1000 ----- CPU =     52.8166 (sec) ----------------
+---------------- Step     1000 ----- CPU =     56.9111 (sec) ----------------
 TotEng   =   -217783.9370 KinEng   =     36453.9620 Temp     =       304.6800 
 PotEng   =   -254237.8990 E_bond   =      4693.8725 E_angle  =      3528.1925 
 E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262459.9639 
 E_coul   =         0.0000 E_long   =         0.0000 Press    =         0.0980 
+Loop time of 56.9112 on 1 procs for 1000 steps with 40140 atoms
 
-Loop time of 52.8166 on 2 procs for 1000 steps with 40140 atoms
-99.6% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 8.179 ns/day  2.934 hours/ns  18.933 timesteps/s
+Performance: 7.591 ns/day, 3.162 hours/ns, 17.571 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 45.657     | 45.84      | 46.022     |   2.7 | 86.79
-Bond    | 0.98427    | 0.99283    | 1.0014     |   0.9 |  1.88
-Neigh   | 4.4454     | 4.4458     | 4.4462     |   0.0 |  8.42
-Comm    | 0.49872    | 0.6719     | 0.84508    |  21.1 |  1.27
-Output  | 0.00076818 | 0.00083113 | 0.00089407 |   0.2 |  0.00
-Modify  | 0.59218    | 0.59264    | 0.5931     |   0.1 |  1.12
-Other   |            | 0.2731     |            |       |  0.52
+Pair    | 50.775     | 50.775     | 50.775     |   0.0 | 89.22
+Bond    | 0.88358    | 0.88358    | 0.88358    |   0.0 |  1.55
+Neigh   | 4.5176     | 4.5176     | 4.5176     |   0.0 |  7.94
+Comm    | 0.14942    | 0.14942    | 0.14942    |   0.0 |  0.26
+Output  | 0.00057101 | 0.00057101 | 0.00057101 |   0.0 |  0.00
+Modify  | 0.4728     | 0.4728     | 0.4728     |   0.0 |  0.83
+Other   |            | 0.1127     |            |       |  0.20
 
-Nlocal:    20070 ave 20109 max 20031 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    20234 ave 20281 max 20187 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    2.84584e+06 ave 2.85375e+06 max 2.83793e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    40140 ave 40140 max 40140 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    25968 ave 25968 max 25968 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    5.69168e+06 ave 5.69168e+06 max 5.69168e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 5691680
 Ave neighs/atom = 141.796
@@ -113,3 +124,4 @@ Neighbor list builds = 38
 Dangerous builds = 0
 #write_restart	pegc12e8-1.restart
 
+Total wall time: 0:00:57
diff --git a/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.4 b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.4
new file mode 100644
index 0000000000..b214e0d6bc
--- /dev/null
+++ b/examples/USER/cgsdk/peg-verlet/log.27Nov18.pegc12e8.g++.4
@@ -0,0 +1,127 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+dimension	3
+atom_style	angle
+
+# enforce that in z-direction there is only one
+# processor (could be two) for optimal performance
+processors * * 1
+
+# read topology and force field
+pair_style	lj/sdk 15.0
+bond_style	harmonic
+angle_style	harmonic
+special_bonds	lj/coul 0.0 0.0 1.0
+
+read_data	data.pegc12e8.gz
+  orthogonal box = (-63.7 -63.7 -200) to (63.7 63.7 200)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  40140 atoms
+  reading velocities ...
+  40140 velocities
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  13284 bonds
+  reading angles ...
+  12177 angles
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of special neighbors
+
+neighbor	3.0 bin
+neigh_modify	delay 5
+
+timestep	5.0
+#dump            1 all xtc 200 pegc12e8-1.xtc
+#dump_modify  1 unwrap yes
+#dump            2 all dcd 200 pegc12e8-1.dcd unwrap
+#dump_modify  2 unwrap yes
+
+velocity all create 303.0 46659 mom yes rot yes dist gaussian
+
+fix		1 all nvt temp 303.0 303.0 100.0
+
+thermo_style	multi
+thermo		200
+run		1000
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 15 15 45
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 15.87 | 15.87 | 15.87 Mbytes
+---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
+TotEng   =   -217990.7972 KinEng   =     36252.9606 Temp     =       303.0000 
+PotEng   =   -254243.7577 E_bond   =      4468.5931 E_angle  =      3410.1642 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262122.5151 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =       105.8245 
+---------------- Step      200 ----- CPU =      3.0107 (sec) ----------------
+TotEng   =   -218203.1886 KinEng   =     36162.5201 Temp     =       302.2441 
+PotEng   =   -254365.7087 E_bond   =      4568.6683 E_angle  =      3409.8838 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262344.2608 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        29.3660 
+---------------- Step      400 ----- CPU =      6.1324 (sec) ----------------
+TotEng   =   -217955.7366 KinEng   =     36340.4946 Temp     =       303.7316 
+PotEng   =   -254296.2312 E_bond   =      4621.0208 E_angle  =      3512.1547 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262429.4067 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        16.4419 
+---------------- Step      600 ----- CPU =      9.3443 (sec) ----------------
+TotEng   =   -218291.9151 KinEng   =     36079.2122 Temp     =       301.5478 
+PotEng   =   -254371.1273 E_bond   =      4626.3494 E_angle  =      3476.1668 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262473.6435 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        14.0304 
+---------------- Step      800 ----- CPU =     12.5388 (sec) ----------------
+TotEng   =   -218539.5667 KinEng   =     36042.0419 Temp     =       301.2372 
+PotEng   =   -254581.6086 E_bond   =      4563.0010 E_angle  =      3616.1814 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262760.7910 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =        -6.8312 
+---------------- Step     1000 ----- CPU =     15.7416 (sec) ----------------
+TotEng   =   -217783.9370 KinEng   =     36453.9620 Temp     =       304.6800 
+PotEng   =   -254237.8990 E_bond   =      4693.8725 E_angle  =      3528.1925 
+E_dihed  =         0.0000 E_impro  =         0.0000 E_vdwl   =   -262459.9639 
+E_coul   =         0.0000 E_long   =         0.0000 Press    =         0.0980 
+Loop time of 15.7417 on 4 procs for 1000 steps with 40140 atoms
+
+Performance: 27.443 ns/day, 0.875 hours/ns, 63.525 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 13.591     | 13.612     | 13.626     |   0.4 | 86.47
+Bond    | 0.22508    | 0.23213    | 0.23791    |   1.0 |  1.47
+Neigh   | 1.2257     | 1.2261     | 1.2266     |   0.0 |  7.79
+Comm    | 0.39628    | 0.41769    | 0.44666    |   2.9 |  2.65
+Output  | 0.000247   | 0.00041109 | 0.00090098 |   0.0 |  0.00
+Modify  | 0.17674    | 0.17803    | 0.17952    |   0.2 |  1.13
+Other   |            | 0.07576    |            |       |  0.48
+
+Nlocal:    10035 ave 10098 max 10004 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+Nghost:    14546.5 ave 14564 max 14503 min
+Histogram: 1 0 0 0 0 0 0 0 0 3
+Neighs:    1.42292e+06 ave 1.43408e+06 max 1.41615e+06 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 5691680
+Ave neighs/atom = 141.796
+Ave special neighs/atom = 1.26861
+Neighbor list builds = 38
+Dangerous builds = 0
+#write_restart	pegc12e8-1.restart
+
+Total wall time: 0:00:15
diff --git a/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.1 b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.1
new file mode 100644
index 0000000000..65ad480bdd
--- /dev/null
+++ b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.1
@@ -0,0 +1,145 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# coarse grained SDS surfactant monolayer
+
+units           real
+dimension       3
+atom_style      full
+processors  * * 1
+
+pair_style hybrid/overlay  lj/sdk 15.0  coul/long 26.5
+bond_style      harmonic
+angle_style     sdk
+special_bonds   lj/coul 0.0 0.0 1.0
+
+read_data       data.sds.gz
+  orthogonal box = (-27.713 -27.713 -200) to (193.991 83.139 200)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  31280 atoms
+  reading velocities ...
+  31280 velocities
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  4096 bonds
+  reading angles ...
+  3072 angles
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of special neighbors
+
+pair_coeff  1     4    coul/long # SO4  SOD
+pair_coeff  4     4    coul/long # SOD  SOD
+pair_coeff  1     1    lj/sdk  lj9_6  0.7000 4.3210 # SO4  SO4
+pair_coeff  1     2    lj/sdk  lj9_6  0.3830 4.4135 # SO4  CM
+pair_coeff  1     3    lj/sdk  lj9_6  0.4050 4.4530 # SO4  CT
+pair_coeff  1     4    lj/sdk  lj12_4 1.1000 4.1000 # SO4  SOD
+pair_coeff  1     5    lj/sdk  lj12_4 1.1000 4.1000 # SO4  W
+pair_coeff  2     2    lj/sdk  lj9_6  0.4200 4.5060 # CM   CM
+pair_coeff  2     3    lj/sdk  lj9_6  0.4440 4.5455 # CT   CM
+pair_coeff  2     4    lj/sdk  lj12_4 0.3400 4.4385 # SOD  CM
+pair_coeff  2     5    lj/sdk  lj12_4 0.3400 4.4385 # W    CM
+pair_coeff  3     3    lj/sdk  lj9_6  0.4690 4.5850 # CT   CT
+pair_coeff  3     4    lj/sdk  lj12_4 0.3600 4.4780 # SOD  CT
+pair_coeff  3     5    lj/sdk  lj12_4 0.3600 4.4780 # W    CT
+pair_coeff  4     4    lj/sdk  lj12_4 0.3500 4.3710 # SOD  SOD
+pair_coeff  4     5    lj/sdk  lj12_4 0.8950 4.3710 # SOD  W
+pair_coeff  5     5    lj/sdk  lj12_4 0.8950 4.3710 # W    W
+
+
+group charged   type 1 4
+2048 atoms in group charged
+atom_modify     first charged
+
+kspace_style    pppm/cg 0.00001
+kspace_modify   order 3
+
+comm_modify     mode multi
+neighbor        2.0 multi
+neigh_modify    delay 4 every 2 check yes
+
+timestep        10.0
+
+fix             1 all nvt temp 310.0 310.0 100.0
+
+thermo          10
+
+run              100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.0416781
+  grid = 8 4 12
+  stencil order = 3
+  estimated absolute RMS force accuracy = 0.00248777
+  estimated relative force accuracy = 7.49185e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 1155 384
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 28.5
+  ghost atom cutoff = 28.5
+  binsize = 8.5, bins = 27 14 48
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/multi/newton
+      stencil: half/multi/3d/newton
+      bin: standard
+  (2) pair coul/long, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  PPPM/cg optimization cutoff: 1e-05
+  Total charged atoms: 6.5%
+  Min/max charged atoms/proc: 6.5% 6.5%
+Per MPI rank memory allocation (min/avg/max) = 35.49 | 35.49 | 35.49 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0     310.0934   -249339.72    2566.2036   -217861.41   -25.664516 
+      10    310.88051    -249369.1    2549.1166   -217834.49   -29.095262 
+      20    310.33025   -249325.09    2543.0138   -217847.89   -30.069751 
+      30    308.24273   -249331.54    2604.3227   -217987.66   -28.033129 
+      40    309.41339    -249363.5    2560.6727   -217954.13   -25.802838 
+      50    309.16857   -249071.94    2571.9117   -217674.15   -17.946457 
+      60    312.67237   -249288.77    2621.0185   -217515.19   -25.723545 
+      70    310.13623   -249262.32     2595.874   -217750.35   -26.276067 
+      80    310.60448   -249415.99    2596.6752   -217859.56   -27.942924 
+      90    309.63209   -249403.14    2606.3186   -217927.73   -24.456575 
+     100    309.40793   -249341.62    2599.6402   -217893.79   -22.554823 
+Loop time of 9.61984 on 1 procs for 100 steps with 31280 atoms
+
+Performance: 8.981 ns/day, 2.672 hours/ns, 10.395 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 7.2928     | 7.2928     | 7.2928     |   0.0 | 75.81
+Bond    | 0.036198   | 0.036198   | 0.036198   |   0.0 |  0.38
+Kspace  | 0.053125   | 0.053125   | 0.053125   |   0.0 |  0.55
+Neigh   | 2.117      | 2.117      | 2.117      |   0.0 | 22.01
+Comm    | 0.029731   | 0.029731   | 0.029731   |   0.0 |  0.31
+Output  | 0.0014369  | 0.0014369  | 0.0014369  |   0.0 |  0.01
+Modify  | 0.079014   | 0.079014   | 0.079014   |   0.0 |  0.82
+Other   |            | 0.01051    |            |       |  0.11
+
+Nlocal:    31280 ave 31280 max 31280 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    16629 ave 16629 max 16629 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3.40168e+06 ave 3.40168e+06 max 3.40168e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3401676
+Ave neighs/atom = 108.749
+Ave special neighs/atom = 0.458312
+Neighbor list builds = 10
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:10
diff --git a/examples/USER/cgsdk/sds-monolayer/log.sds-hybrid b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.4
similarity index 72%
rename from examples/USER/cgsdk/sds-monolayer/log.sds-hybrid
rename to examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.4
index 1a8e3b65f3..247f553ecc 100644
--- a/examples/USER/cgsdk/sds-monolayer/log.sds-hybrid
+++ b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-hybrid.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # coarse grained SDS surfactant monolayer
 
@@ -58,7 +57,7 @@ atom_modify     first charged
 kspace_style    pppm/cg 0.00001
 kspace_modify   order 3
 
-communicate     multi
+comm_modify     mode multi
 neighbor        2.0 multi
 neigh_modify    delay 4 every 2 check yes
 
@@ -70,6 +69,7 @@ thermo          10
 
 run              100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.0416781
   grid = 8 4 12
   stencil order = 3
@@ -77,10 +77,27 @@ PPPM initialization ...
   estimated relative force accuracy = 7.49185e-06
   using double precision FFTs
   3d grid and FFT values/proc = 525 96
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 28.5
+  ghost atom cutoff = 28.5
+  binsize = 8.5, bins = 27 14 48
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/sdk, perpetual
+      attributes: half, newton on
+      pair build: half/multi/newton
+      stencil: half/multi/3d/newton
+      bin: standard
+  (2) pair coul/long, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
   PPPM/cg optimization cutoff: 1e-05
   Total charged atoms: 6.5%
   Min/max charged atoms/proc: 6.4% 6.7%
-Memory usage per processor = 7.66668 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 17.48 | 17.48 | 17.48 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0     310.0934   -249339.72    2566.2036   -217861.41   -25.664516 
       10    310.88051    -249369.1    2549.1166   -217834.49   -29.095262 
@@ -93,22 +110,22 @@ Step Temp E_pair E_mol TotEng Press
       80    310.60448   -249415.99    2596.6752   -217859.56   -27.942924 
       90    309.63209   -249403.14    2606.3186   -217927.73   -24.456575 
      100    309.40793   -249341.62    2599.6402   -217893.79   -22.554823 
+Loop time of 2.54454 on 4 procs for 100 steps with 31280 atoms
 
-Loop time of 4.07239 on 4 procs for 100 steps with 31280 atoms
-98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
-Performance: 21.216 ns/day  1.131 hours/ns  24.556 timesteps/s
+Performance: 33.955 ns/day, 0.707 hours/ns, 39.300 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 3.082      | 3.0928     | 3.1091     |   0.6 | 75.95
-Bond    | 0.021077   | 0.021421   | 0.021823   |   0.2 |  0.53
-Kspace  | 0.042646   | 0.058859   | 0.069797   |   4.1 |  1.45
-Neigh   | 0.79689    | 0.79696    | 0.79711    |   0.0 | 19.57
-Comm    | 0.048668   | 0.049552   | 0.050446   |   0.3 |  1.22
-Output  | 0.00072145 | 0.00095147 | 0.0016341  |   1.3 |  0.02
-Modify  | 0.034767   | 0.035175   | 0.035714   |   0.2 |  0.86
-Other   |            | 0.01665    |            |       |  0.41
+Pair    | 1.8639     | 1.8913     | 1.9283     |   1.8 | 74.33
+Bond    | 0.0092797  | 0.0094567  | 0.0095828  |   0.1 |  0.37
+Kspace  | 0.018389   | 0.056616   | 0.084424   |  10.7 |  2.23
+Neigh   | 0.53553    | 0.53569    | 0.53605    |   0.0 | 21.05
+Comm    | 0.023819   | 0.02433    | 0.02506    |   0.3 |  0.96
+Output  | 0.00058866 | 0.00084978 | 0.0016243  |   0.0 |  0.03
+Modify  | 0.021841   | 0.022059   | 0.022308   |   0.1 |  0.87
+Other   |            | 0.004233   |            |       |  0.17
 
 Nlocal:    7820 ave 7866 max 7774 min
 Histogram: 1 1 0 0 0 0 0 0 1 1
@@ -125,3 +142,4 @@ Dangerous builds = 0
 
 Please see the log.cite file for references relevant to this simulation
 
+Total wall time: 0:00:02
diff --git a/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.1 b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.1
new file mode 100644
index 0000000000..ab0a9a33e9
--- /dev/null
+++ b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.1
@@ -0,0 +1,129 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# coarse grained SDS surfactant monolayer
+
+units           real
+dimension       3
+atom_style      full
+processors  * * 1
+
+pair_style lj/sdk/coul/long 15.0
+bond_style      harmonic
+angle_style     sdk
+special_bonds   lj/coul 0.0 0.0 1.0
+
+read_data       data.sds.gz
+  orthogonal box = (-27.713 -27.713 -200) to (193.991 83.139 200)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  31280 atoms
+  reading velocities ...
+  31280 velocities
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  4096 bonds
+  reading angles ...
+  3072 angles
+  2 = max # of 1-2 neighbors
+  2 = max # of 1-3 neighbors
+  4 = max # of special neighbors
+
+pair_coeff  1     1      lj9_6  0.7000 4.3210 # SO4  SO4
+pair_coeff  1     2      lj9_6  0.3830 4.4135 # SO4  CM
+pair_coeff  1     3      lj9_6  0.4050 4.4530 # SO4  CT
+pair_coeff  1     4      lj12_4 1.1000 4.1000 # SO4  SOD
+pair_coeff  1     5      lj12_4 1.1000 4.1000 # SO4  W
+pair_coeff  2     2      lj9_6  0.4200 4.5060 # CM   CM
+pair_coeff  2     3      lj9_6  0.4440 4.5455 # CT   CM
+pair_coeff  2     4      lj12_4 0.3400 4.4385 # SOD  CM
+pair_coeff  2     5      lj12_4 0.3400 4.4385 # W    CM
+pair_coeff  3     3      lj9_6  0.4690 4.5850 # CT   CT
+pair_coeff  3     4      lj12_4 0.3600 4.4780 # SOD  CT
+pair_coeff  3     5      lj12_4 0.3600 4.4780 # W    CT
+pair_coeff  4     4      lj12_4 0.3500 4.3710 # SOD  SOD
+pair_coeff  4     5      lj12_4 0.8950 4.3710 # SOD  W
+pair_coeff  5     5      lj12_4 0.8950 4.3710 # W    W
+
+kspace_style    pppm/cg 0.00001
+kspace_modify   order 3
+
+neighbor        2.0 bin
+neigh_modify    delay 4 every 2 check yes
+
+timestep        10.0
+
+fix             1 all nvt temp 310.0 310.0 100.0
+
+thermo          10
+
+run              100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.0789325
+  grid = 15 8 25
+  stencil order = 3
+  estimated absolute RMS force accuracy = 0.00275556
+  estimated relative force accuracy = 8.29828e-06
+  using double precision FFTs
+  3d grid and FFT values/proc = 5544 3000
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17
+  ghost atom cutoff = 17
+  binsize = 8.5, bins = 27 14 48
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  PPPM/cg optimization cutoff: 1e-05
+  Total charged atoms: 6.5%
+  Min/max charged atoms/proc: 6.5% 6.5%
+Per MPI rank memory allocation (min/avg/max) = 35.36 | 35.36 | 35.36 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0     310.0934   -247030.21    2566.2036    -215551.9   -14.547393 
+      10    310.89138   -247061.61    2549.4854   -215525.62   -18.043512 
+      20    310.29287    -247017.8    2542.4491   -215544.65   -19.148631 
+      30    308.13371   -247024.82    2602.1061   -215693.32   -17.390902 
+      40    309.40426   -247058.41    2558.7402   -215651.82   -15.445066 
+      50    309.11317   -246753.92    2570.8603   -215362.36   -7.4232007 
+      60    312.52974   -246964.73    2618.8108   -215206.66    -15.23965 
+      70    310.11675   -246941.68    2591.8668   -215435.53   -16.153691 
+      80    310.48262   -247090.02    2595.0493   -215546.58   -18.080368 
+      90    309.60017    -247067.1    2604.6545   -215596.33   -14.583764 
+     100     309.7356   -247004.05    2604.8729   -215520.43    -12.78624 
+Loop time of 9.23618 on 1 procs for 100 steps with 31280 atoms
+
+Performance: 9.355 ns/day, 2.566 hours/ns, 10.827 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 7.7363     | 7.7363     | 7.7363     |   0.0 | 83.76
+Bond    | 0.032901   | 0.032901   | 0.032901   |   0.0 |  0.36
+Kspace  | 0.078907   | 0.078907   | 0.078907   |   0.0 |  0.85
+Neigh   | 1.2706     | 1.2706     | 1.2706     |   0.0 | 13.76
+Comm    | 0.026005   | 0.026005   | 0.026005   |   0.0 |  0.28
+Output  | 0.0014131  | 0.0014131  | 0.0014131  |   0.0 |  0.02
+Modify  | 0.079446   | 0.079446   | 0.079446   |   0.0 |  0.86
+Other   |            | 0.01055    |            |       |  0.11
+
+Nlocal:    31280 ave 31280 max 31280 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    15812 ave 15812 max 15812 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3.3521e+06 ave 3.3521e+06 max 3.3521e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3352103
+Ave neighs/atom = 107.164
+Ave special neighs/atom = 0.458312
+Neighbor list builds = 10
+Dangerous builds = 0
+Total wall time: 0:00:09
diff --git a/examples/USER/cgsdk/sds-monolayer/log.sds-regular b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.4
similarity index 72%
rename from examples/USER/cgsdk/sds-monolayer/log.sds-regular
rename to examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.4
index 7ab9d1a760..934b0ae0f2 100644
--- a/examples/USER/cgsdk/sds-monolayer/log.sds-regular
+++ b/examples/USER/cgsdk/sds-monolayer/log.27Nov18.sds-regular.g++.4
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # coarse grained SDS surfactant monolayer
 
@@ -62,6 +61,7 @@ thermo          10
 
 run              100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.0789325
   grid = 15 8 25
   stencil order = 3
@@ -69,10 +69,22 @@ PPPM initialization ...
   estimated relative force accuracy = 8.29828e-06
   using double precision FFTs
   3d grid and FFT values/proc = 2156 840
+Neighbor list info ...
+  update every 2 steps, delay 4 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 17
+  ghost atom cutoff = 17
+  binsize = 8.5, bins = 27 14 48
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/sdk/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
   PPPM/cg optimization cutoff: 1e-05
   Total charged atoms: 6.5%
   Min/max charged atoms/proc: 6.4% 6.7%
-Memory usage per processor = 8.05923 Mbytes
+Per MPI rank memory allocation (min/avg/max) = 17.32 | 17.32 | 17.32 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0     310.0934   -247030.21    2566.2036    -215551.9   -14.547393 
       10    310.89138   -247061.61    2549.4854   -215525.62   -18.043512 
@@ -85,22 +97,22 @@ Step Temp E_pair E_mol TotEng Press
       80    310.48262   -247090.02    2595.0493   -215546.58   -18.080368 
       90    309.60017    -247067.1    2604.6545   -215596.33   -14.583764 
      100     309.7356   -247004.05    2604.8729   -215520.43    -12.78624 
+Loop time of 2.45408 on 4 procs for 100 steps with 31280 atoms
 
-Loop time of 3.44972 on 4 procs for 100 steps with 31280 atoms
-98.1% CPU use with 4 MPI tasks x 1 OpenMP threads
-Performance: 25.046 ns/day  0.958 hours/ns  28.988 timesteps/s
+Performance: 35.207 ns/day, 0.682 hours/ns, 40.748 timesteps/s
+99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 2.7883     | 2.817      | 2.8415     |   1.1 | 81.66
-Bond    | 0.017868   | 0.018973   | 0.020636   |   0.7 |  0.55
-Kspace  | 0.063881   | 0.088012   | 0.11571    |   6.2 |  2.55
-Neigh   | 0.42765    | 0.42828    | 0.42882    |   0.1 | 12.41
-Comm    | 0.043887   | 0.044575   | 0.045079   |   0.2 |  1.29
-Output  | 0.00072694 | 0.00096422 | 0.0016718  |   1.3 |  0.03
-Modify  | 0.035513   | 0.035955   | 0.036887   |   0.3 |  1.04
-Other   |            | 0.01597    |            |       |  0.46
+Pair    | 2.0065     | 2.0143     | 2.0326     |   0.8 | 82.08
+Bond    | 0.0084255  | 0.0086145  | 0.0088007  |   0.1 |  0.35
+Kspace  | 0.033373   | 0.052041   | 0.060933   |   4.8 |  2.12
+Neigh   | 0.32741    | 0.32748    | 0.32754    |   0.0 | 13.34
+Comm    | 0.022403   | 0.023025   | 0.023735   |   0.4 |  0.94
+Output  | 0.00060058 | 0.00086623 | 0.0016549  |   0.0 |  0.04
+Modify  | 0.022533   | 0.022723   | 0.022876   |   0.1 |  0.93
+Other   |            | 0.005038   |            |       |  0.21
 
 Nlocal:    7820 ave 7866 max 7775 min
 Histogram: 1 1 0 0 0 0 0 1 0 1
@@ -114,3 +126,4 @@ Ave neighs/atom = 107.164
 Ave special neighs/atom = 0.458312
 Neighbor list builds = 10
 Dangerous builds = 0
+Total wall time: 0:00:02
diff --git a/examples/USER/colvars/log.peptide-colvars b/examples/USER/colvars/log.27Nov18.peptide-colvars.g++.1
similarity index 52%
rename from examples/USER/colvars/log.peptide-colvars
rename to examples/USER/colvars/log.27Nov18.peptide-colvars.g++.1
index 6fb85fddc0..3b5203ba6f 100644
--- a/examples/USER/colvars/log.peptide-colvars
+++ b/examples/USER/colvars/log.27Nov18.peptide-colvars.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -15,7 +14,7 @@ kspace_style	pppm 0.0001
 
 read_data	data.peptide
   orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   2004 atoms
   reading velocities ...
@@ -78,134 +77,179 @@ thermo		10
 
 run		100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
   estimated absolute RMS force accuracy = 0.0228209
   estimated relative force accuracy = 6.87243e-05
   using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
+  3d grid and FFT values/proc = 10648 3375
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 colvars: Creating proxy instance
 colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2013-10-22.
-colvars: # indexFile = "" [default]
-colvars: # analysis = off [default]
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars":
+colvars: # smp = on [default]
 colvars: # colvarsTrajFrequency = 1
 colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out.colvars.state".
-colvars: Writing to colvar trajectory file "out.colvars.traj".
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new collective variable.
-colvars:   # name = one
+colvars:   # name = "one"
 colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
 colvars:     # componentCoeff = 1 [default]
 colvars:     # componentExp = 1 [default]
 colvars:     # period = 0 [default]
 colvars:     # wrapAround = 0 [default]
 colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
+colvars:     # scalable = on [default]
 colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
 colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
 colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
 colvars:   # width = 1 [default]
 colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
 colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
 colvars:   # expandBoundaries = off [default]
 colvars:   # extendedLagrangian = off [default]
 colvars:   # outputValue = on [default]
 colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
+colvars:   # outputTotalForce = off [default]
 colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new collective variable.
-colvars:   # name = two
+colvars:   # name = "two"
 colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
 colvars:     # componentCoeff = 1 [default]
 colvars:     # componentExp = 1 [default]
 colvars:     # period = 0 [default]
 colvars:     # wrapAround = 0 [default]
 colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
+colvars:     # scalable = on [default]
 colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
 colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
 colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
 colvars:   # width = 1 [default]
 colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
 colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
 colvars:   # expandBoundaries = off [default]
 colvars:   # extendedLagrangian = off [default]
 colvars:   # outputValue = on [default]
 colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
+colvars:   # outputTotalForce = off [default]
 colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables initialized, 2 in total.
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
+colvars:   # name = "h_pot"
 colvars:   # colvars = { one, two }
 colvars:   # outputEnergy = off [default]
-colvars:   # forceConstant = 100
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
 colvars:   # centers = { 10, 10 }
 colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
 colvars:   # outputCenters = off [default]
-colvars:   # outputAccumulatedWork = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables biases initialized, 1 in total.
 colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
+colvars: Collective variables module (re)initialized.
 colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 1.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 1.
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "out.colvars.state".
+colvars: Writing to colvar trajectory file "out.colvars.traj".
 colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
 colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
+colvars: Performing analysis.
 SHAKE stats (type/ave/delta) on step 0
   4 1.111 1.44264e-05
   6 0.996998 7.26967e-06
@@ -215,51 +259,52 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Memory usage per processor = 10.4104 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
        0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    292.14604 
-      10    305.06198     -5058.89   -6286.1848    1227.2948   -6413.0968    58.849896    103.38344 
-      20    311.00591   -4999.0544   -6250.2623    1251.2079   -6417.0983    47.695275    36.699706 
-      30    314.22398   -4993.6951   -6257.8496    1264.1545   -6421.9641    35.344161    10.563914 
-      40    297.87525   -5020.8339   -6219.2158    1198.3819   -6389.8501      27.7232    3.8354396 
-      50    304.02085   -5056.2539   -6279.3602    1223.1063    -6456.818    55.459511   0.20679816 
-      60    285.92595   -5104.0436   -6254.3523    1150.3087   -6435.5793    32.767289   0.69356527 
-      70    277.83498   -5163.9751    -6281.733    1117.7579   -6447.7013     39.62715    11.433633 
-      80    267.51476   -5206.4041   -6282.6428    1076.2386   -6456.6352    31.611841    6.3553235 
-      90    278.15512    -5245.383   -6364.4288    1119.0458   -6499.8036    28.849902   0.36938817 
+      10    305.06149   -5058.8972   -6286.1901    1227.2929   -6413.1021      58.8499    103.38345 
+      20    311.00516   -4999.0612    -6250.266    1251.2048   -6417.1021    47.695297    36.699695 
+      30    314.22337   -4993.7012   -6257.8532     1264.152   -6421.9679    35.344144    10.563933 
+      40    297.87491   -5020.8378   -6219.2184    1198.3805   -6389.8528    27.723133    3.8354517 
+      50    304.02071   -5056.2576   -6279.3633    1223.1057   -6456.8214    55.459505   0.20678217 
+      60    285.92576   -5104.0461    -6254.354    1150.3079   -6435.5814    32.767229   0.69352945 
+      70    277.83519   -5163.9758   -6281.7345    1117.7587   -6447.7033    39.627168    11.433603 
+      80    267.51495   -5206.4046    -6282.644    1076.2394   -6456.6369    31.611883    6.3554178 
+      90    278.15579   -5245.3824    -6364.431    1119.0485   -6499.8063    28.849773   0.36941576 
 SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97185e-05
-  6 0.996996 1.00569e-05
-  8 1.08 6.02346e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
   14 0.959996 0
-  18 0.957198 3.36078e-05
-  31 104.52 0.00306008
-     100    260.10505    -5292.689   -6339.1177    1046.4286   -6471.6693    25.361881   0.21986866 
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+colvars: Saving collective variables state to "out.colvars.state".
+Loop time of 2.17304 on 1 procs for 100 steps with 2004 atoms
 
-Loop time of 1.04673 on 2 procs for 100 steps with 2004 atoms
-99.3% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 16.509 ns/day  1.454 hours/ns  95.536 timesteps/s
+Performance: 7.952 ns/day, 3.018 hours/ns, 46.018 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.76537    | 0.76832    | 0.77127    |   0.3 | 73.40
-Bond    | 0.0024452  | 0.0025067  | 0.0025682  |   0.1 |  0.24
-Kspace  | 0.088877   | 0.092861   | 0.096845   |   1.3 |  8.87
-Neigh   | 0.13657    | 0.13657    | 0.13658    |   0.0 | 13.05
-Comm    | 0.0172     | 0.018169   | 0.019137   |   0.7 |  1.74
-Output  | 0.0002296  | 0.00031686 | 0.00040412 |   0.5 |  0.03
-Modify  | 0.025518   | 0.025554   | 0.025591   |   0.0 |  2.44
-Other   |            | 0.002431   |            |       |  0.23
+Pair    | 1.5817     | 1.5817     | 1.5817     |   0.0 | 72.79
+Bond    | 0.0031469  | 0.0031469  | 0.0031469  |   0.0 |  0.14
+Kspace  | 0.17366    | 0.17366    | 0.17366    |   0.0 |  7.99
+Neigh   | 0.37354    | 0.37354    | 0.37354    |   0.0 | 17.19
+Comm    | 0.013652   | 0.013652   | 0.013652   |   0.0 |  0.63
+Output  | 0.00026059 | 0.00026059 | 0.00026059 |   0.0 |  0.01
+Modify  | 0.025484   | 0.025484   | 0.025484   |   0.0 |  1.17
+Other   |            | 0.001615   |            |       |  0.07
 
-Nlocal:    1002 ave 1013 max 991 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8629.5 ave 8641 max 8618 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354118 ave 356534 max 351703 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11124 ave 11124 max 11124 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708237 ave 708237 max 708237 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
 Total # of neighbors = 708237
 Ave neighs/atom = 353.412
@@ -269,279 +314,316 @@ Dangerous builds = 2
 
 run     100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
   estimated absolute RMS force accuracy = 0.0228209
   estimated relative force accuracy = 6.87243e-05
   using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
+  3d grid and FFT values/proc = 10648 3375
 colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
 colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
 SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97185e-05
-  6 0.996996 1.00569e-05
-  8 1.08 6.02346e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
   14 0.959996 0
-  18 0.957198 3.36078e-05
-  31 104.52 0.00306008
-Memory usage per processor = 10.4104 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     100    260.10505    -5292.689   -6339.1177    1046.4286   -6471.6693    25.361881   0.21986866 
-     110    266.26279   -5341.2085   -6412.4103    1071.2018   -6552.7566    33.572973    1.9229795 
-     120    262.66439   -5386.2495   -6442.9746    1056.7251   -6587.5499    29.859549     2.712489 
-     130    252.83437   -5422.5446   -6439.7226    1017.1779   -6580.4751    25.979056    1.2031649 
-     140    253.85101   -5452.1904   -6473.4584     1021.268   -6609.4883    26.071526   0.30586448 
-     150    261.31821   -5490.4808   -6541.7901    1051.3093    -6646.615    16.258546     6.904992 
-     160    255.73714   -5521.6048   -6550.4609    1028.8561   -6658.1531    19.717543    12.339834 
-     170    253.42881   -5540.0985    -6559.668    1019.5695   -6656.6862    23.293616    10.289885 
-     180    248.51049   -5550.3254   -6550.1079    999.78252   -6661.4178    26.200082    3.4339077 
-     190    250.80375   -5555.2616   -6564.2702    1009.0086   -6666.1496    25.536628    3.3495235 
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+     110    266.26438   -5341.1991   -6412.4073    1071.2082   -6552.7551    33.573173    1.9229657 
+     120    262.66604   -5386.2387   -6442.9704    1056.7317   -6587.5483    29.859587    2.7124812 
+     130    252.83379   -5422.5401   -6439.7157    1017.1756   -6580.4703    25.979343    1.2031592 
+     140    253.85111   -5452.1838   -6473.4522    1021.2684   -6609.4826    26.071651   0.30585517 
+     150    261.31816   -5490.4727   -6541.7817    1051.3091   -6646.6076    16.258823    6.9051008 
+     160     255.7352   -5521.5941   -6550.4424    1028.8483   -6658.1373    19.717399    12.339679 
+     170    253.42527   -5540.0942   -6559.6494    1019.5552   -6656.6678    23.293812    10.290217 
+     180    248.51161   -5550.3253   -6550.1124    999.78705   -6661.4235    26.200127    3.4336038 
+     190    250.80862   -5555.2554   -6564.2836    1009.0282    -6666.164     25.53634    3.3494288 
 SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.81287e-06
-  6 0.997 7.79626e-07
-  8 1.08 1.08933e-06
-  10 1.111 2.96498e-07
-  12 1.08 4.69169e-07
+  4 1.111 1.81266e-06
+  6 0.997 7.79424e-07
+  8 1.08 1.08903e-06
+  10 1.111 2.96503e-07
+  12 1.08 4.69038e-07
   14 0.960001 0
-  18 0.957201 3.76617e-06
-  31 104.52 0.000411076
-     200    251.50646   -5557.4204    -6569.256    1011.8356   -6674.0889    24.805155      7.13891 
+  18 0.957201 3.76471e-06
+  31 104.52 0.000411055
+     200    251.50475   -5557.4251   -6569.2538    1011.8287   -6674.0845    24.804906    7.1387574 
+colvars: Saving collective variables state to "out.colvars.state".
+Loop time of 2.03298 on 1 procs for 100 steps with 2004 atoms
 
-Loop time of 1.00434 on 2 procs for 100 steps with 2004 atoms
-99.1% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 17.205 ns/day  1.395 hours/ns  99.568 timesteps/s
+Performance: 8.500 ns/day, 2.824 hours/ns, 49.189 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.78001    | 0.78091    | 0.78181    |   0.1 | 77.75
-Bond    | 0.0025158  | 0.0025688  | 0.0026219  |   0.1 |  0.26
-Kspace  | 0.093375   | 0.094821   | 0.096266   |   0.5 |  9.44
-Neigh   | 0.080238   | 0.08025    | 0.080261   |   0.0 |  7.99
-Comm    | 0.01671    | 0.017204   | 0.017699   |   0.4 |  1.71
-Output  | 0.0002296  | 0.00031531 | 0.00040102 |   0.5 |  0.03
-Modify  | 0.025788   | 0.025804   | 0.02582    |   0.0 |  2.57
-Other   |            | 0.002469   |            |       |  0.25
+Pair    | 1.5975     | 1.5975     | 1.5975     |   0.0 | 78.58
+Bond    | 0.0033164  | 0.0033164  | 0.0033164  |   0.0 |  0.16
+Kspace  | 0.17349    | 0.17349    | 0.17349    |   0.0 |  8.53
+Neigh   | 0.21971    | 0.21971    | 0.21971    |   0.0 | 10.81
+Comm    | 0.012045   | 0.012045   | 0.012045   |   0.0 |  0.59
+Output  | 0.00026226 | 0.00026226 | 0.00026226 |   0.0 |  0.01
+Modify  | 0.025034   | 0.025034   | 0.025034   |   0.0 |  1.23
+Other   |            | 0.001596   |            |       |  0.08
 
-Nlocal:    1002 ave 1014 max 990 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8654 ave 8667 max 8641 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354044 ave 355332 max 352756 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11159 ave 11159 max 11159 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708083 ave 708083 max 708083 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 708088
-Ave neighs/atom = 353.337
+Total # of neighbors = 708083
+Ave neighs/atom = 353.335
 Ave special neighs/atom = 2.34032
 Neighbor list builds = 7
 Dangerous builds = 0
 
 fix 2 all colvars peptide.colvars input out.colvars.state output out2
-colvars: Saving collective variables state to "out.colvars.state".
+colvars: Resetting the Collective Variables module.
 
 run     100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
   estimated absolute RMS force accuracy = 0.0228209
   estimated relative force accuracy = 6.87243e-05
   using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
+  3d grid and FFT values/proc = 10648 3375
 colvars: Creating proxy instance
 colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2013-10-22.
-colvars: # indexFile = "" [default]
-colvars: # analysis = off [default]
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars":
+colvars: # smp = on [default]
 colvars: # colvarsTrajFrequency = 1
 colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out2.colvars.state".
-colvars: Writing to colvar trajectory file "out2.colvars.traj".
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new collective variable.
-colvars:   # name = one
+colvars:   # name = "one"
 colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
 colvars:     # componentCoeff = 1 [default]
 colvars:     # componentExp = 1 [default]
 colvars:     # period = 0 [default]
 colvars:     # wrapAround = 0 [default]
 colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
+colvars:     # scalable = on [default]
 colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
 colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
 colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
 colvars:   # width = 1 [default]
 colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
 colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
 colvars:   # expandBoundaries = off [default]
 colvars:   # extendedLagrangian = off [default]
 colvars:   # outputValue = on [default]
 colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
+colvars:   # outputTotalForce = off [default]
 colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new collective variable.
-colvars:   # name = two
+colvars:   # name = "two"
 colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
 colvars:     # componentCoeff = 1 [default]
 colvars:     # componentExp = 1 [default]
 colvars:     # period = 0 [default]
 colvars:     # wrapAround = 0 [default]
 colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
+colvars:     # scalable = on [default]
 colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
 colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
 colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
 colvars:   # width = 1 [default]
 colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
 colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
 colvars:   # expandBoundaries = off [default]
 colvars:   # extendedLagrangian = off [default]
 colvars:   # outputValue = on [default]
 colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
+colvars:   # outputTotalForce = off [default]
 colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables initialized, 2 in total.
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
+colvars:   # name = "h_pot"
 colvars:   # colvars = { one, two }
 colvars:   # outputEnergy = off [default]
-colvars:   # forceConstant = 100
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
 colvars:   # centers = { 10, 10 }
 colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
 colvars:   # outputCenters = off [default]
-colvars:   # outputAccumulatedWork = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables biases initialized, 1 in total.
 colvars: ----------------------------------------------------------------------
+colvars: Collective variables module (re)initialized.
+colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 1.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 1.
+colvars: ----------------------------------------------------------------------
 colvars: Restarting from file "out.colvars.state".
 colvars:   Restarting collective variable "one" from value: 10.0128
 colvars:   Restarting collective variable "two" from value: 9.62236
-colvars:   Restarting harmonic bias "h_pot".
 colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-colvars: Initializing step number as firstTimestep.
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "out2.colvars.state".
+colvars: Writing to colvar trajectory file "out2.colvars.traj".
+colvars: Setting initial step number from LAMMPS: 200
 colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
 colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
+colvars: Performing analysis.
 SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.81287e-06
-  6 0.997 7.79626e-07
-  8 1.08 1.08933e-06
-  10 1.111 2.96498e-07
-  12 1.08 4.69169e-07
+  4 1.111 1.81266e-06
+  6 0.997 7.79424e-07
+  8 1.08 1.08903e-06
+  10 1.111 2.96503e-07
+  12 1.08 4.69038e-07
   14 0.960001 0
-  18 0.957201 3.76617e-06
-  31 104.52 0.000411076
-Memory usage per processor = 10.4104 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     200    251.50646   -5557.4204    -6569.256    1011.8356   -6674.0889    24.805155      7.13891 
-     210    253.15173   -5538.5647   -6557.0194    1018.4547    -6672.044    37.671405   0.61299805 
-     220    245.19832   -5522.5253   -6508.9826    986.45735   -6628.2043    36.656213   0.04862311 
-     230    258.65093   -5495.7204   -6536.2989    1040.5785   -6658.0891    34.855426   0.22044707 
-     240    260.80348   -5469.8527   -6519.0912    1049.2385   -6624.1806    31.576284    3.7570152 
-     250    269.06517   -5438.3941   -6520.8701    1082.4761   -6616.3835    25.443998    8.6642401 
-     260    266.10873   -5397.3229    -6467.905     1070.582   -6580.6583    26.873845    8.3331291 
-     270    272.81399   -5350.8435   -6448.4015    1097.5579   -6563.7941     23.11303    10.972811 
-     280    279.52614   -5307.9857   -6432.5473    1124.5616   -6557.7474    33.640052    8.5474491 
-     290     286.8015     -5260.87   -6414.7011    1153.8311   -6515.4961    28.571844    5.9093384 
+  18 0.957201 3.76471e-06
+  31 104.52 0.000411055
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+     200    251.50475   -5557.4251   -6569.2538    1011.8287   -6674.0845    24.804906    7.1387574 
+     210    253.15303   -5538.5615   -6557.0215      1018.46   -6672.0498     37.67662   0.61219496 
+     220    245.19621    -5522.519   -6508.9679    986.44888   -6628.1899    36.657688   0.04864338 
+     230    258.69884   -5495.7275   -6536.4988    1040.7713   -6658.2885    34.857911   0.22092547 
+     240    260.79635   -5469.8678   -6519.0776    1049.2098   -6624.1801    31.576951    3.7574816 
+     250    269.07527   -5438.3946   -6520.9114    1082.5167   -6616.4383    25.447674    8.6600014 
+     260    266.01049   -5397.3485   -6467.5353    1070.1868   -6580.2897    26.871917    8.3323097 
+     270    272.81313    -5350.882   -6448.4365    1097.5545   -6563.8231    23.114195    10.973131 
+     280    279.42263   -5307.9798    -6432.125    1124.1452   -6557.3367    33.644027    8.5490492 
+     290    286.85172    -5260.841   -6414.8741    1154.0331   -6515.6798    28.574838    5.9100133 
 SHAKE stats (type/ave/delta) on step 300
-  4 1.111 1.79747e-05
-  6 0.997005 1.02624e-05
-  8 1.08 1.84986e-05
-  10 1.111 9.9852e-06
-  12 1.08 8.8315e-06
+  4 1.111 1.79792e-05
+  6 0.997005 1.02512e-05
+  8 1.08 1.85102e-05
+  10 1.111 9.98839e-06
+  12 1.08 8.84111e-06
   14 0.960008 0
-  18 0.957203 1.84856e-05
-  31 104.52 0.00169095
-     300    291.51723   -5216.3366   -6389.1396     1172.803   -6503.1168    27.877108    2.2481775 
+  18 0.957203 1.8445e-05
+  31 104.52 0.00168383
+     300    291.52798    -5216.288   -6389.1341    1172.8462   -6503.1276    27.889154    2.2482459 
+colvars: Saving collective variables state to "out2.colvars.state".
+Loop time of 2.07171 on 1 procs for 100 steps with 2004 atoms
 
-Loop time of 1.0092 on 2 procs for 100 steps with 2004 atoms
-99.1% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 17.123 ns/day  1.402 hours/ns  99.089 timesteps/s
+Performance: 8.341 ns/day, 2.877 hours/ns, 48.269 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.77015    | 0.77511    | 0.78007    |   0.6 | 76.80
-Bond    | 0.0022984  | 0.0024998  | 0.0027013  |   0.4 |  0.25
-Kspace  | 0.088884   | 0.093076   | 0.097267   |   1.4 |  9.22
-Neigh   | 0.092871   | 0.092888   | 0.092905   |   0.0 |  9.20
-Comm    | 0.016476   | 0.017      | 0.017524   |   0.4 |  1.68
-Output  | 0.00022602 | 0.00031459 | 0.00040317 |   0.5 |  0.03
-Modify  | 0.025814   | 0.025818   | 0.025823   |   0.0 |  2.56
-Other   |            | 0.002488   |            |       |  0.25
+Pair    | 1.6047     | 1.6047     | 1.6047     |   0.0 | 77.46
+Bond    | 0.0031033  | 0.0031033  | 0.0031033  |   0.0 |  0.15
+Kspace  | 0.17325    | 0.17325    | 0.17325    |   0.0 |  8.36
+Neigh   | 0.25117    | 0.25117    | 0.25117    |   0.0 | 12.12
+Comm    | 0.012173   | 0.012173   | 0.012173   |   0.0 |  0.59
+Output  | 0.00026488 | 0.00026488 | 0.00026488 |   0.0 |  0.01
+Modify  | 0.025317   | 0.025317   | 0.025317   |   0.0 |  1.22
+Other   |            | 0.001731   |            |       |  0.08
 
-Nlocal:    1002 ave 1024 max 980 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8717.5 ave 8755 max 8680 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354073 ave 358151 max 349995 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11296 ave 11296 max 11296 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708152 ave 708152 max 708152 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 708146
-Ave neighs/atom = 353.366
+Total # of neighbors = 708152
+Ave neighs/atom = 353.369
 Ave special neighs/atom = 2.34032
 Neighbor list builds = 8
 Dangerous builds = 0
 
-colvars: Saving collective variables state to "out2.colvars.state".
+colvars: Resetting the Collective Variables module.
 
 Please see the log.cite file for references relevant to this simulation
 
+Total wall time: 0:00:06
diff --git a/examples/USER/colvars/log.27Nov18.peptide-colvars.g++.4 b/examples/USER/colvars/log.27Nov18.peptide-colvars.g++.4
new file mode 100644
index 0000000000..586ebbc5c5
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-colvars.g++.4
@@ -0,0 +1,629 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+shell "rm -f out*.colvars.*"
+fix		2 all colvars peptide.colvars
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+colvars: Creating proxy instance
+colvars: ----------------------------------------------------------------------
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars":
+colvars: # smp = on [default]
+colvars: # colvarsTrajFrequency = 1
+colvars: # colvarsRestartFrequency = 1000
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new collective variable.
+colvars:   # name = "one"
+colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
+colvars:     # componentCoeff = 1 [default]
+colvars:     # componentExp = 1 [default]
+colvars:     # period = 0 [default]
+colvars:     # wrapAround = 0 [default]
+colvars:     # forceNoPBC = off [default]
+colvars:     # scalable = on [default]
+colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
+colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # width = 1 [default]
+colvars:   # lowerBoundary = 0 [default]
+colvars:   # upperBoundary = 0 [default]
+colvars:   # expandBoundaries = off [default]
+colvars:   # extendedLagrangian = off [default]
+colvars:   # outputValue = on [default]
+colvars:   # outputVelocity = off [default]
+colvars:   # outputTotalForce = off [default]
+colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new collective variable.
+colvars:   # name = "two"
+colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
+colvars:     # componentCoeff = 1 [default]
+colvars:     # componentExp = 1 [default]
+colvars:     # period = 0 [default]
+colvars:     # wrapAround = 0 [default]
+colvars:     # forceNoPBC = off [default]
+colvars:     # scalable = on [default]
+colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
+colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # width = 1 [default]
+colvars:   # lowerBoundary = 0 [default]
+colvars:   # upperBoundary = 0 [default]
+colvars:   # expandBoundaries = off [default]
+colvars:   # extendedLagrangian = off [default]
+colvars:   # outputValue = on [default]
+colvars:   # outputVelocity = off [default]
+colvars:   # outputTotalForce = off [default]
+colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables initialized, 2 in total.
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new "harmonic" instance.
+colvars:   # name = "h_pot"
+colvars:   # colvars = { one, two }
+colvars:   # outputEnergy = off [default]
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
+colvars:   # centers = { 10, 10 }
+colvars:   # targetCenters = { 10, 10 } [default]
+colvars:   # outputCenters = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables biases initialized, 1 in total.
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables module (re)initialized.
+colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 1.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 1.
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "out.colvars.state".
+colvars: Writing to colvar trajectory file "out.colvars.traj".
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
+colvars: Performing analysis.
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    292.14604 
+      10    305.06149   -5058.8972   -6286.1901    1227.2929   -6413.1021      58.8499    103.38345 
+      20    311.00516   -4999.0612    -6250.266    1251.2048   -6417.1021    47.695297    36.699695 
+      30    314.22337   -4993.7012   -6257.8532     1264.152   -6421.9679    35.344144    10.563933 
+      40    297.87491   -5020.8378   -6219.2184    1198.3805   -6389.8528    27.723133    3.8354517 
+      50    304.02071   -5056.2576   -6279.3633    1223.1057   -6456.8214    55.459505   0.20678217 
+      60    285.92576   -5104.0461    -6254.354    1150.3079   -6435.5814    32.767229   0.69352945 
+      70    277.83519   -5163.9758   -6281.7345    1117.7587   -6447.7033    39.627168    11.433603 
+      80    267.51495   -5206.4046    -6282.644    1076.2394   -6456.6369    31.611883    6.3554178 
+      90    278.15579   -5245.3824    -6364.431    1119.0485   -6499.8063    28.849773   0.36941576 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
+  14 0.959996 0
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+colvars: Saving collective variables state to "out.colvars.state".
+Loop time of 0.614168 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 28.136 ns/day, 0.853 hours/ns, 162.822 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.40413    | 0.41468    | 0.42573    |   1.4 | 67.52
+Bond    | 0.00056815 | 0.0011595  | 0.0017791  |   1.6 |  0.19
+Kspace  | 0.056367   | 0.066512   | 0.076213   |   3.3 | 10.83
+Neigh   | 0.095025   | 0.09507    | 0.095124   |   0.0 | 15.48
+Comm    | 0.015385   | 0.015831   | 0.01623    |   0.2 |  2.58
+Output  | 0.00026512 | 0.00034493 | 0.00057554 |   0.0 |  0.06
+Modify  | 0.01938    | 0.019431   | 0.019474   |   0.0 |  3.16
+Other   |            | 0.001141   |            |       |  0.19
+
+Nlocal:    501 ave 513 max 489 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+Nghost:    6563.25 ave 6596 max 6519 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    177059 ave 181742 max 172942 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 708237
+Ave neighs/atom = 353.412
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 12
+Dangerous builds = 2
+
+run     100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
+  14 0.959996 0
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+Per MPI rank memory allocation (min/avg/max) = 15.66 | 15.86 | 16.06 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+     110    266.26438   -5341.1991   -6412.4073    1071.2082   -6552.7551    33.573173    1.9229657 
+     120    262.66604   -5386.2387   -6442.9704    1056.7317   -6587.5483    29.859587    2.7124812 
+     130    252.83379   -5422.5401   -6439.7157    1017.1756   -6580.4703    25.979343    1.2031592 
+     140    253.85111   -5452.1838   -6473.4521    1021.2684   -6609.4826    26.071651   0.30585517 
+     150    261.31816   -5490.4726   -6541.7817    1051.3091   -6646.6075    16.258823    6.9051008 
+     160     255.7352   -5521.5941   -6550.4423    1028.8483   -6658.1373    19.717399    12.339679 
+     170    253.42527   -5540.0941   -6559.6493    1019.5552   -6656.6677    23.293812    10.290217 
+     180    248.51161   -5550.3253   -6550.1124    999.78704   -6661.4235    26.200127    3.4336037 
+     190    250.80862   -5555.2553   -6564.2834    1009.0282   -6666.1638     25.53634    3.3494287 
+SHAKE stats (type/ave/delta) on step 200
+  4 1.111 1.81266e-06
+  6 0.997 7.79424e-07
+  8 1.08 1.08903e-06
+  10 1.111 2.96503e-07
+  12 1.08 4.69038e-07
+  14 0.960001 0
+  18 0.957201 3.76471e-06
+  31 104.52 0.000411055
+     200    251.50475   -5557.4251   -6569.2539    1011.8288   -6674.0845    24.804905    7.1387572 
+colvars: Saving collective variables state to "out.colvars.state".
+Loop time of 0.569733 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 30.330 ns/day, 0.791 hours/ns, 175.521 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.40512    | 0.41306    | 0.42363    |   1.3 | 72.50
+Bond    | 0.00061107 | 0.001151   | 0.0017512  |   1.4 |  0.20
+Kspace  | 0.054393   | 0.063988   | 0.07198    |   3.0 | 11.23
+Neigh   | 0.056063   | 0.056079   | 0.05609    |   0.0 |  9.84
+Comm    | 0.013584   | 0.014145   | 0.014649   |   0.3 |  2.48
+Output  | 0.00026965 | 0.00042897 | 0.00090265 |   0.0 |  0.08
+Modify  | 0.019253   | 0.019257   | 0.01926    |   0.0 |  3.38
+Other   |            | 0.001623   |            |       |  0.28
+
+Nlocal:    501 ave 513 max 481 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Nghost:    6556.5 ave 6608 max 6514 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    177021 ave 182259 max 172089 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 708083
+Ave neighs/atom = 353.335
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 7
+Dangerous builds = 0
+
+fix 2 all colvars peptide.colvars input out.colvars.state output out2
+colvars: Resetting the Collective Variables module.
+
+run     100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+colvars: Creating proxy instance
+colvars: ----------------------------------------------------------------------
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars":
+colvars: # smp = on [default]
+colvars: # colvarsTrajFrequency = 1
+colvars: # colvarsRestartFrequency = 1000
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new collective variable.
+colvars:   # name = "one"
+colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
+colvars:     # componentCoeff = 1 [default]
+colvars:     # componentExp = 1 [default]
+colvars:     # period = 0 [default]
+colvars:     # wrapAround = 0 [default]
+colvars:     # forceNoPBC = off [default]
+colvars:     # scalable = on [default]
+colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
+colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # width = 1 [default]
+colvars:   # lowerBoundary = 0 [default]
+colvars:   # upperBoundary = 0 [default]
+colvars:   # expandBoundaries = off [default]
+colvars:   # extendedLagrangian = off [default]
+colvars:   # outputValue = on [default]
+colvars:   # outputVelocity = off [default]
+colvars:   # outputTotalForce = off [default]
+colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new collective variable.
+colvars:   # name = "two"
+colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
+colvars:     # componentCoeff = 1 [default]
+colvars:     # componentExp = 1 [default]
+colvars:     # period = 0 [default]
+colvars:     # wrapAround = 0 [default]
+colvars:     # forceNoPBC = off [default]
+colvars:     # scalable = on [default]
+colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 1 atoms initialized: total mass = 1, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
+colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # width = 1 [default]
+colvars:   # lowerBoundary = 0 [default]
+colvars:   # upperBoundary = 0 [default]
+colvars:   # expandBoundaries = off [default]
+colvars:   # extendedLagrangian = off [default]
+colvars:   # outputValue = on [default]
+colvars:   # outputVelocity = off [default]
+colvars:   # outputTotalForce = off [default]
+colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables initialized, 2 in total.
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new "harmonic" instance.
+colvars:   # name = "h_pot"
+colvars:   # colvars = { one, two }
+colvars:   # outputEnergy = off [default]
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
+colvars:   # centers = { 10, 10 }
+colvars:   # targetCenters = { 10, 10 } [default]
+colvars:   # outputCenters = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables biases initialized, 1 in total.
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables module (re)initialized.
+colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 1.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 1.
+colvars: ----------------------------------------------------------------------
+colvars: Restarting from file "out.colvars.state".
+colvars:   Restarting collective variable "one" from value: 10.0128
+colvars:   Restarting collective variable "two" from value: 9.62236
+colvars: ----------------------------------------------------------------------
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "out2.colvars.state".
+colvars: Writing to colvar trajectory file "out2.colvars.traj".
+colvars: Setting initial step number from LAMMPS: 200
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group one:0/1. 1 atoms: total mass = 12.011.
+colvars: Re-initialized atom group two:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group two:0/1. 1 atoms: total mass = 12.011.
+colvars: Performing analysis.
+SHAKE stats (type/ave/delta) on step 200
+  4 1.111 1.81266e-06
+  6 0.997 7.79424e-07
+  8 1.08 1.08903e-06
+  10 1.111 2.96503e-07
+  12 1.08 4.69038e-07
+  14 0.960001 0
+  18 0.957201 3.76471e-06
+  31 104.52 0.000411055
+Per MPI rank memory allocation (min/avg/max) = 15.66 | 15.86 | 16.06 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+     200    251.50475   -5557.4251   -6569.2539    1011.8288   -6674.0845    24.804905    7.1387572 
+     210    253.15304   -5538.5615   -6557.0215      1018.46   -6672.0498    37.676621   0.61219486 
+     220    245.19621   -5522.5189   -6508.9678    986.44888   -6628.1898    36.657688  0.048643368 
+     230    258.69885   -5495.7276   -6536.4989    1040.7713   -6658.2887    34.857911   0.22092541 
+     240    260.79635   -5469.8677   -6519.0775    1049.2098     -6624.18    31.576952    3.7574818 
+     250    269.07527   -5438.3947   -6520.9115    1082.5167   -6616.4384    25.447674    8.6600013 
+     260     266.0105   -5397.3486   -6467.5354    1070.1868   -6580.2898    26.871917    8.3323096 
+     270    272.81314   -5350.8819   -6448.4364    1097.5545    -6563.823    23.114195    10.973131 
+     280    279.42263   -5307.9799    -6432.125    1124.1452   -6557.3367    33.644027    8.5490488 
+     290     286.8517   -5260.8409    -6414.874    1154.0331   -6515.6797    28.574839    5.9100135 
+SHAKE stats (type/ave/delta) on step 300
+  4 1.111 1.79792e-05
+  6 0.997005 1.02512e-05
+  8 1.08 1.85102e-05
+  10 1.111 9.98838e-06
+  12 1.08 8.84113e-06
+  14 0.960008 0
+  18 0.957203 1.8445e-05
+  31 104.52 0.00168382
+     300    291.52794   -5216.2881   -6389.1342     1172.846   -6503.1276    27.889153     2.248246 
+colvars: Saving collective variables state to "out2.colvars.state".
+Loop time of 0.584942 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 29.541 ns/day, 0.812 hours/ns, 170.957 timesteps/s
+99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.41044    | 0.41882    | 0.42773    |   1.1 | 71.60
+Bond    | 0.00056911 | 0.0011486  | 0.0018017  |   1.4 |  0.20
+Kspace  | 0.056211   | 0.064277   | 0.072168   |   2.7 | 10.99
+Neigh   | 0.064606   | 0.064613   | 0.064617   |   0.0 | 11.05
+Comm    | 0.013311   | 0.013966   | 0.015175   |   0.6 |  2.39
+Output  | 0.00027871 | 0.00051689 | 0.0012221  |   0.0 |  0.09
+Modify  | 0.019776   | 0.0199     | 0.020015   |   0.1 |  3.40
+Other   |            | 0.001705   |            |       |  0.29
+
+Nlocal:    501 ave 513 max 472 min
+Histogram: 1 0 0 0 0 0 0 0 0 3
+Nghost:    6612.75 ave 6681 max 6561 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Neighs:    177038 ave 180136 max 170218 min
+Histogram: 1 0 0 0 0 0 0 1 0 2
+
+Total # of neighbors = 708152
+Ave neighs/atom = 353.369
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 8
+Dangerous builds = 0
+
+colvars: Resetting the Collective Variables module.
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/USER/colvars/log.peptide-colvars2 b/examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.1
similarity index 56%
rename from examples/USER/colvars/log.peptide-colvars2
rename to examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.1
index 9966f34a3a..8e5c990f40 100644
--- a/examples/USER/colvars/log.peptide-colvars2
+++ b/examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.1
@@ -1,5 +1,4 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
+LAMMPS (27 Nov 2018)
   using 1 OpenMP thread(s) per MPI task
 # Solvated 5-mer peptide
 
@@ -15,7 +14,7 @@ kspace_style	pppm 0.0001
 
 read_data	data.peptide
   orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 2 MPI processor grid
+  1 by 1 by 1 MPI processor grid
   reading atoms ...
   2004 atoms
   reading velocities ...
@@ -77,88 +76,122 @@ thermo		10
 
 run		100
 PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.268725
   grid = 15 15 15
   stencil order = 5
   estimated absolute RMS force accuracy = 0.0228209
   estimated relative force accuracy = 6.87243e-05
   using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
+  3d grid and FFT values/proc = 10648 3375
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
 colvars: Creating proxy instance
 colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2013-10-22.
-colvars: # indexFile = "" [default]
-colvars: # analysis = off [default]
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars2":
+colvars: # smp = on [default]
 colvars: # colvarsTrajFrequency = 1
 colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "peptide2.colvars.state".
-colvars: Writing to colvar trajectory file "peptide2.colvars.traj".
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new collective variable.
-colvars:   # name = one
+colvars:   # name = "one"
 colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
 colvars:     # componentCoeff = 1 [default]
 colvars:     # componentExp = 1 [default]
 colvars:     # period = 0 [default]
 colvars:     # wrapAround = 0 [default]
 colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
+colvars:     # scalable = on [default]
 colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
 colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
 colvars:       # indexGroup = "" [default]
 colvars:       # psfSegID =  [default]
 colvars:       # atomsFile = "" [default]
 colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
 colvars:       # enableForces = on [default]
-colvars:       # disableForces = off [default]
-colvars:       # centerReference = off [default]
-colvars:       # rotateReference = off [default]
 colvars:       # enableFitGradients = on [default]
-colvars:       Atom group "group2" defined, 4 atoms initialized: total mass = 0.
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
 colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
 colvars:   # width = 1 [default]
 colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
 colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
 colvars:   # expandBoundaries = off [default]
 colvars:   # extendedLagrangian = off [default]
 colvars:   # outputValue = on [default]
 colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
+colvars:   # outputTotalForce = off [default]
 colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables initialized, 1 in total.
 colvars: ----------------------------------------------------------------------
 colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
+colvars:   # name = "h_pot"
 colvars:   # colvars = { one }
 colvars:   # outputEnergy = off [default]
-colvars:   # forceConstant = 100
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
 colvars:   # centers = { 10 }
 colvars:   # targetCenters = { 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
 colvars:   # outputCenters = off [default]
-colvars:   # outputAccumulatedWork = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
 colvars: ----------------------------------------------------------------------
 colvars: Collective variables biases initialized, 1 in total.
 colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
+colvars: Collective variables module (re)initialized.
 colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 4 atoms: total mass = 4.
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "peptide2.colvars.state".
+colvars: Writing to colvar trajectory file "peptide2.colvars.traj".
 colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
 colvars: Re-initialized atom group one:0/1. 4 atoms: total mass = 15.035.
+colvars: Performing analysis.
 SHAKE stats (type/ave/delta) on step 0
   4 1.111 1.44264e-05
   6 0.996998 7.26967e-06
@@ -168,58 +201,60 @@ SHAKE stats (type/ave/delta) on step 0
   14 0.96 0
   18 0.957206 4.37979e-05
   31 104.519 0.00396029
-Memory usage per processor = 10.4103 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
        0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    273.74323 
-      10    333.47973   -4982.3893   -6324.0116    1341.6223    -6400.417    21.367753    12.393269 
-      20    309.56974   -4999.4934   -6244.9234      1245.43   -6401.6969    43.595447    13.004393 
-      30    316.97689   -5025.5598   -6300.7895    1275.2297   -6422.5335    27.323113    6.7588862 
-      40    297.55811   -5088.2155   -6285.3215     1197.106   -6395.3714    13.676871    25.625154 
-      50    296.80002   -5117.2927   -6311.3488    1194.0561   -6451.8274    30.631277    5.3320302 
-      60    281.72798    -5188.494   -6321.9138    1133.4198   -6427.8833     26.28765    20.573958 
-      70    277.26045   -5224.8416   -6340.2881    1115.4465   -6447.8495    27.742889   0.69414895 
-      80    268.01458   -5281.8501   -6360.0996    1078.2495   -6496.6062    20.300729     5.260642 
-      90    270.43384   -5334.0847   -6422.0671    1087.9824   -6563.2486    39.845992     1.183249 
+      10    333.47919   -4982.3968   -6324.0169    1341.6201   -6400.4223    21.367762    12.393263 
+      20    309.56902   -4999.4978   -6244.9249    1245.4271   -6401.6981     43.59542    13.004314 
+      30     316.9763   -5025.5662   -6300.7935    1275.2273   -6422.5375    27.323196    6.7589585 
+      40    297.55779   -5088.2204   -6285.3252    1197.1047    -6395.375      13.6769    25.625024 
+      50    296.79994   -5117.2966   -6311.3525    1194.0558   -6451.8309    30.631241    5.3320863 
+      60    281.72778   -5188.4969   -6321.9159     1133.419   -6427.8856    26.287723    20.574037 
+      70    277.26053   -5224.8434   -6340.2902    1115.4468   -6447.8521    27.742893   0.69420283 
+      80    268.01484   -5281.8509   -6360.1014    1078.2505   -6496.6086    20.300754    5.2607186 
+      90    270.43472   -5334.0835   -6422.0694    1087.9859   -6563.2511    39.846095    1.1832272 
 SHAKE stats (type/ave/delta) on step 100
-  4 1.11096 0.000191466
-  6 0.996989 3.5552e-05
-  8 1.08 9.10001e-06
-  10 1.111 1.58547e-05
-  12 1.08 5.80613e-06
+  4 1.11096 0.000191462
+  6 0.996989 3.55508e-05
+  8 1.08 9.0997e-06
+  10 1.111 1.58544e-05
+  12 1.08 5.80604e-06
   14 0.959997 0
-  18 0.957198 2.92454e-05
-  31 104.52 0.00239929
-     100    260.35617   -5387.2298   -6434.6687    1047.4389   -6534.1957    20.246734  0.075048991 
+  18 0.957198 2.92445e-05
+  31 104.52 0.00239923
+     100    260.35636   -5387.2284   -6434.6681    1047.4397   -6534.1956    20.246866  0.075048487 
+colvars: Saving collective variables state to "peptide2.colvars.state".
+Loop time of 2.25958 on 1 procs for 100 steps with 2004 atoms
 
-Loop time of 1.07439 on 2 procs for 100 steps with 2004 atoms
-98.2% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 16.084 ns/day  1.492 hours/ns  93.076 timesteps/s
+Performance: 7.647 ns/day, 3.138 hours/ns, 44.256 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
-MPI task timings breakdown:
+MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
 ---------------------------------------------------------------
-Pair    | 0.77154    | 0.77308    | 0.77462    |   0.2 | 71.96
-Bond    | 0.0023637  | 0.0025266  | 0.0026896  |   0.3 |  0.24
-Kspace  | 0.095779   | 0.097411   | 0.099043   |   0.5 |  9.07
-Neigh   | 0.15521    | 0.15521    | 0.15522    |   0.0 | 14.45
-Comm    | 0.018134   | 0.018364   | 0.018594   |   0.2 |  1.71
-Output  | 0.00024295 | 0.00032854 | 0.00041413 |   0.5 |  0.03
-Modify  | 0.024936   | 0.024973   | 0.02501    |   0.0 |  2.32
-Other   |            | 0.002498   |            |       |  0.23
+Pair    | 1.6373     | 1.6373     | 1.6373     |   0.0 | 72.46
+Bond    | 0.0031531  | 0.0031531  | 0.0031531  |   0.0 |  0.14
+Kspace  | 0.17439    | 0.17439    | 0.17439    |   0.0 |  7.72
+Neigh   | 0.40442    | 0.40442    | 0.40442    |   0.0 | 17.90
+Comm    | 0.014091   | 0.014091   | 0.014091   |   0.0 |  0.62
+Output  | 0.00027752 | 0.00027752 | 0.00027752 |   0.0 |  0.01
+Modify  | 0.024481   | 0.024481   | 0.024481   |   0.0 |  1.08
+Other   |            | 0.001465   |            |       |  0.06
 
-Nlocal:    1002 ave 1010 max 994 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8645 ave 8652 max 8638 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354116 ave 356373 max 351860 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11143 ave 11143 max 11143 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708234 ave 708234 max 708234 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
 
-Total # of neighbors = 708233
+Total # of neighbors = 708234
 Ave neighs/atom = 353.41
 Ave special neighs/atom = 2.34032
 Neighbor list builds = 13
 Dangerous builds = 1
-colvars: Saving collective variables state to "peptide2.colvars.state".
+colvars: Resetting the Collective Variables module.
 
 Please see the log.cite file for references relevant to this simulation
 
+Total wall time: 0:00:02
diff --git a/examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.4 b/examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.4
new file mode 100644
index 0000000000..47f1b672df
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-colvars2.g++.4
@@ -0,0 +1,260 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
+
+shell "rm -f peptide2.colvars.*"
+fix		2 all colvars peptide.colvars2 output peptide2
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.colvar2.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1 sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_2
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+colvars: Creating proxy instance
+colvars: ----------------------------------------------------------------------
+colvars: Initializing the collective variables module, version 2018-11-16.
+colvars: Please cite Fiorin et al, Mol Phys 2013:
+colvars:  http://dx.doi.org/10.1080/00268976.2013.813594
+colvars: in any publication based on this calculation.
+colvars: SMP parallelism is available.
+colvars: Using LAMMPS interface, version 2018-08-29.
+colvars: ----------------------------------------------------------------------
+colvars: Reading new configuration from file "peptide.colvars2":
+colvars: # smp = on [default]
+colvars: # colvarsTrajFrequency = 1
+colvars: # colvarsRestartFrequency = 1000
+colvars: # scriptedColvarForces = off [default]
+colvars: # scriptingAfterBiases = off [default]
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new collective variable.
+colvars:   # name = "one"
+colvars:   Initializing a new "distance" component.
+colvars:     # name = "" [default]
+colvars:     # componentCoeff = 1 [default]
+colvars:     # componentExp = 1 [default]
+colvars:     # period = 0 [default]
+colvars:     # wrapAround = 0 [default]
+colvars:     # forceNoPBC = off [default]
+colvars:     # scalable = on [default]
+colvars:       Initializing atom group "group1".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group1" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:       Initializing atom group "group2".
+colvars:       # name = "" [default]
+colvars:       # centerReference = off [default]
+colvars:       # rotateReference = off [default]
+colvars:       # atomsOfGroup = "" [default]
+colvars:       # indexGroup = "" [default]
+colvars:       # psfSegID =  [default]
+colvars:       # atomsFile = "" [default]
+colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
+colvars:       # enableForces = on [default]
+colvars:       # enableFitGradients = on [default]
+colvars:       # printAtomIDs = off [default]
+colvars:       Atom group "group2" defined, 4 atoms initialized: total mass = 4, total charge = 0.
+colvars:     # oneSiteSystemForce = off [default]
+colvars:     # oneSiteTotalForce = off [default]
+colvars:   All components initialized.
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # width = 1 [default]
+colvars:   # lowerBoundary = 0 [default]
+colvars:   # upperBoundary = 0 [default]
+colvars:   # expandBoundaries = off [default]
+colvars:   # extendedLagrangian = off [default]
+colvars:   # outputValue = on [default]
+colvars:   # outputVelocity = off [default]
+colvars:   # outputTotalForce = off [default]
+colvars:   # outputAppliedForce = off [default]
+colvars:   # subtractAppliedForce = off [default]
+colvars:   # runAve = off [default]
+colvars:   # corrFunc = off [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables initialized, 1 in total.
+colvars: ----------------------------------------------------------------------
+colvars:   Initializing a new "harmonic" instance.
+colvars:   # name = "h_pot"
+colvars:   # colvars = { one }
+colvars:   # outputEnergy = off [default]
+colvars:   # timeStepFactor = 1 [default]
+colvars:   # writeTISamples = off [default]
+colvars:   # writeTIPMF = off [default]
+colvars:   # centers = { 10 }
+colvars:   # targetCenters = { 10 } [default]
+colvars:   # outputCenters = off [default]
+colvars:   # forceConstant = 100
+colvars:   # targetForceConstant = -1 [default]
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables biases initialized, 1 in total.
+colvars: ----------------------------------------------------------------------
+colvars: Collective variables module (re)initialized.
+colvars: ----------------------------------------------------------------------
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 4.
+colvars: Re-initialized atom group one:0/1. 4 atoms: total mass = 4.
+colvars: The restart output state file will be "rest.colvars.state".
+colvars: The final output state file will be "peptide2.colvars.state".
+colvars: Writing to colvar trajectory file "peptide2.colvars.traj".
+colvars: Re-initialized atom group one:0/0. 4 atoms: total mass = 15.035.
+colvars: Re-initialized atom group one:0/1. 4 atoms: total mass = 15.035.
+colvars: Performing analysis.
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_2 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    273.74323 
+      10    333.47919   -4982.3968   -6324.0169    1341.6201   -6400.4223    21.367762    12.393263 
+      20    309.56902   -4999.4978   -6244.9249    1245.4271   -6401.6981     43.59542    13.004314 
+      30     316.9763   -5025.5662   -6300.7935    1275.2273   -6422.5375    27.323196    6.7589585 
+      40    297.55779   -5088.2204   -6285.3252    1197.1047    -6395.375      13.6769    25.625024 
+      50    296.79994   -5117.2966   -6311.3525    1194.0558   -6451.8309    30.631241    5.3320863 
+      60    281.72778   -5188.4969   -6321.9159     1133.419   -6427.8856    26.287723    20.574037 
+      70    277.26053   -5224.8434   -6340.2902    1115.4468   -6447.8521    27.742893   0.69420283 
+      80    268.01484   -5281.8509   -6360.1014    1078.2505   -6496.6086    20.300754    5.2607186 
+      90    270.43472   -5334.0835   -6422.0694    1087.9859   -6563.2511    39.846095    1.1832272 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11096 0.000191462
+  6 0.996989 3.55508e-05
+  8 1.08 9.0997e-06
+  10 1.111 1.58544e-05
+  12 1.08 5.80604e-06
+  14 0.959997 0
+  18 0.957198 2.92445e-05
+  31 104.52 0.00239923
+     100    260.35636   -5387.2284   -6434.6681    1047.4397   -6534.1956    20.246866  0.075048487 
+colvars: Saving collective variables state to "peptide2.colvars.state".
+Loop time of 0.629325 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 27.458 ns/day, 0.874 hours/ns, 158.900 timesteps/s
+99.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.4012     | 0.41532    | 0.42829    |   1.9 | 65.99
+Bond    | 0.0005219  | 0.0011545  | 0.0018291  |   1.8 |  0.18
+Kspace  | 0.059271   | 0.071301   | 0.084393   |   4.4 | 11.33
+Neigh   | 0.10416    | 0.10419    | 0.10424    |   0.0 | 16.56
+Comm    | 0.015643   | 0.016628   | 0.017256   |   0.5 |  2.64
+Output  | 0.00025177 | 0.00033599 | 0.00058722 |   0.0 |  0.05
+Modify  | 0.01912    | 0.019129   | 0.019141   |   0.0 |  3.04
+Other   |            | 0.001264   |            |       |  0.20
+
+Nlocal:    501 ave 513 max 494 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+Nghost:    6572.5 ave 6593 max 6548 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    177058 ave 181778 max 174301 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 708234
+Ave neighs/atom = 353.41
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 13
+Dangerous builds = 1
+colvars: Resetting the Collective Variables module.
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:00
diff --git a/examples/USER/colvars/log.27Nov18.peptide-spring.g++.1 b/examples/USER/colvars/log.27Nov18.peptide-spring.g++.1
new file mode 100644
index 0000000000..a6801fe306
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-spring.g++.1
@@ -0,0 +1,163 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
+
+fix		3a one spring couple ref 100.0 0.0 0.0 0.0 10.0
+fix		3b two spring couple ref 100.0 0.0 0.0 0.0 10.0
+
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.spring.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1  sort id
+
+variable sp equal f_3a+f_3b
+
+thermo_style	custom step temp etotal pe ke epair ebond v_sp
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 10648 3375
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond v_sp 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    292.14604 
+      10    305.06149   -5058.8972   -6286.1901    1227.2929   -6413.1021      58.8499    103.38345 
+      20    311.00516   -4999.0612    -6250.266    1251.2048   -6417.1021    47.695297    36.699695 
+      30    314.22337   -4993.7012   -6257.8532     1264.152   -6421.9679    35.344144    10.563933 
+      40    297.87491   -5020.8378   -6219.2184    1198.3805   -6389.8528    27.723133    3.8354517 
+      50    304.02071   -5056.2576   -6279.3633    1223.1057   -6456.8214    55.459505   0.20678217 
+      60    285.92576   -5104.0461    -6254.354    1150.3079   -6435.5814    32.767229   0.69352945 
+      70    277.83519   -5163.9758   -6281.7345    1117.7587   -6447.7033    39.627168    11.433603 
+      80    267.51495   -5206.4046    -6282.644    1076.2394   -6456.6369    31.611883    6.3554178 
+      90    278.15579   -5245.3824    -6364.431    1119.0485   -6499.8063    28.849773   0.36941576 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
+  14 0.959996 0
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+Loop time of 2.21146 on 1 procs for 100 steps with 2004 atoms
+
+Performance: 7.814 ns/day, 3.071 hours/ns, 45.219 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.6195     | 1.6195     | 1.6195     |   0.0 | 73.23
+Bond    | 0.0033534  | 0.0033534  | 0.0033534  |   0.0 |  0.15
+Kspace  | 0.17464    | 0.17464    | 0.17464    |   0.0 |  7.90
+Neigh   | 0.37337    | 0.37337    | 0.37337    |   0.0 | 16.88
+Comm    | 0.013891   | 0.013891   | 0.013891   |   0.0 |  0.63
+Output  | 0.00037336 | 0.00037336 | 0.00037336 |   0.0 |  0.02
+Modify  | 0.024753   | 0.024753   | 0.024753   |   0.0 |  1.12
+Other   |            | 0.001613   |            |       |  0.07
+
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11124 ave 11124 max 11124 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708237 ave 708237 max 708237 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 708237
+Ave neighs/atom = 353.412
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 12
+Dangerous builds = 2
+Total wall time: 0:00:02
diff --git a/examples/USER/colvars/log.27Nov18.peptide-spring.g++.4 b/examples/USER/colvars/log.27Nov18.peptide-spring.g++.4
new file mode 100644
index 0000000000..025c371640
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-spring.g++.4
@@ -0,0 +1,163 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
+
+fix		3a one spring couple ref 100.0 0.0 0.0 0.0 10.0
+fix		3b two spring couple ref 100.0 0.0 0.0 0.0 10.0
+
+fix		2a ref setforce 0.0 0.0 0.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.spring.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1  sort id
+
+variable sp equal f_3a+f_3b
+
+thermo_style	custom step temp etotal pe ke epair ebond v_sp
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond v_sp 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    292.14604 
+      10    305.06149   -5058.8972   -6286.1901    1227.2929   -6413.1021      58.8499    103.38345 
+      20    311.00516   -4999.0612    -6250.266    1251.2048   -6417.1021    47.695297    36.699695 
+      30    314.22337   -4993.7012   -6257.8532     1264.152   -6421.9679    35.344144    10.563933 
+      40    297.87491   -5020.8378   -6219.2184    1198.3805   -6389.8528    27.723133    3.8354517 
+      50    304.02071   -5056.2576   -6279.3633    1223.1057   -6456.8214    55.459505   0.20678217 
+      60    285.92576   -5104.0461    -6254.354    1150.3079   -6435.5814    32.767229   0.69352945 
+      70    277.83519   -5163.9758   -6281.7345    1117.7587   -6447.7033    39.627168    11.433603 
+      80    267.51495   -5206.4046    -6282.644    1076.2394   -6456.6369    31.611883    6.3554178 
+      90    278.15579   -5245.3824    -6364.431    1119.0485   -6499.8063    28.849773   0.36941576 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11098 8.97155e-05
+  6 0.996996 1.00568e-05
+  8 1.08 6.02345e-06
+  10 1.111 1.84253e-05
+  12 1.08 7.2713e-06
+  14 0.959996 0
+  18 0.957198 3.36079e-05
+  31 104.52 0.0030599
+     100    260.10613   -5292.6885   -6339.1215     1046.433   -6471.6734    25.362042   0.21987323 
+Loop time of 0.620672 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 27.841 ns/day, 0.862 hours/ns, 161.116 timesteps/s
+99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.4029     | 0.41752    | 0.4307     |   1.7 | 67.27
+Bond    | 0.00054789 | 0.0011698  | 0.0018225  |   1.8 |  0.19
+Kspace  | 0.055853   | 0.069798   | 0.083975   |   4.3 | 11.25
+Neigh   | 0.096553   | 0.096622   | 0.096707   |   0.0 | 15.57
+Comm    | 0.015383   | 0.016022   | 0.01632    |   0.3 |  2.58
+Output  | 0.00033116 | 0.00057495 | 0.0012989  |   0.0 |  0.09
+Modify  | 0.017549   | 0.017693   | 0.017826   |   0.1 |  2.85
+Other   |            | 0.001274   |            |       |  0.21
+
+Nlocal:    501 ave 513 max 489 min
+Histogram: 1 0 0 0 1 1 0 0 0 1
+Nghost:    6563.25 ave 6596 max 6519 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    177059 ave 181742 max 172942 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 708237
+Ave neighs/atom = 353.412
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 12
+Dangerous builds = 2
+Total wall time: 0:00:00
diff --git a/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.1 b/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.1
new file mode 100644
index 0000000000..7397c5475d
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.1
@@ -0,0 +1,158 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		3  one spring couple two 100.0 0.0 0.0 0.0 10.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.spring2.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1  sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_3
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 10648 3375
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 18.7 | 18.7 | 18.7 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_3 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    273.74323 
+      10    333.47919   -4982.3968   -6324.0169    1341.6201   -6400.4223    21.367762    12.393263 
+      20    309.56902   -4999.4978   -6244.9249    1245.4271   -6401.6981     43.59542    13.004314 
+      30     316.9763   -5025.5662   -6300.7935    1275.2273   -6422.5375    27.323196    6.7589585 
+      40    297.55779   -5088.2204   -6285.3252    1197.1047    -6395.375      13.6769    25.625024 
+      50    296.79994   -5117.2966   -6311.3525    1194.0558   -6451.8309    30.631241    5.3320863 
+      60    281.72778   -5188.4969   -6321.9159     1133.419   -6427.8856    26.287723    20.574037 
+      70    277.26053   -5224.8434   -6340.2902    1115.4468   -6447.8521    27.742893   0.69420283 
+      80    268.01484   -5281.8509   -6360.1014    1078.2505   -6496.6086    20.300754    5.2607186 
+      90    270.43472   -5334.0835   -6422.0694    1087.9859   -6563.2511    39.846095    1.1832272 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11096 0.000191462
+  6 0.996989 3.55508e-05
+  8 1.08 9.0997e-06
+  10 1.111 1.58544e-05
+  12 1.08 5.80604e-06
+  14 0.959997 0
+  18 0.957198 2.92445e-05
+  31 104.52 0.00239923
+     100    260.35636   -5387.2284   -6434.6681    1047.4397   -6534.1956    20.246866  0.075048487 
+Loop time of 2.2037 on 1 procs for 100 steps with 2004 atoms
+
+Performance: 7.841 ns/day, 3.061 hours/ns, 45.378 timesteps/s
+99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.5852     | 1.5852     | 1.5852     |   0.0 | 71.93
+Bond    | 0.0032725  | 0.0032725  | 0.0032725  |   0.0 |  0.15
+Kspace  | 0.17308    | 0.17308    | 0.17308    |   0.0 |  7.85
+Neigh   | 0.4027     | 0.4027     | 0.4027     |   0.0 | 18.27
+Comm    | 0.014041   | 0.014041   | 0.014041   |   0.0 |  0.64
+Output  | 0.00032306 | 0.00032306 | 0.00032306 |   0.0 |  0.01
+Modify  | 0.023546   | 0.023546   | 0.023546   |   0.0 |  1.07
+Other   |            | 0.001546   |            |       |  0.07
+
+Nlocal:    2004 ave 2004 max 2004 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    11143 ave 11143 max 11143 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    708234 ave 708234 max 708234 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 708234
+Ave neighs/atom = 353.41
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 13
+Dangerous builds = 1
+Total wall time: 0:00:02
diff --git a/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.4 b/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.4
new file mode 100644
index 0000000000..0e3f0d3b6b
--- /dev/null
+++ b/examples/USER/colvars/log.27Nov18.peptide-spring2.g++.4
@@ -0,0 +1,158 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Solvated 5-mer peptide
+
+units		real
+atom_style	full
+
+pair_style	lj/charmm/coul/long 8.0 10.0 10.0
+bond_style      harmonic
+angle_style     charmm
+dihedral_style  charmm
+improper_style  harmonic
+kspace_style	pppm 0.0001
+
+read_data	data.peptide
+  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2004 atoms
+  reading velocities ...
+  2004 velocities
+  scanning bonds ...
+  3 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  14 = max dihedrals/atom
+  scanning impropers ...
+  1 = max impropers/atom
+  reading bonds ...
+  1365 bonds
+  reading angles ...
+  786 angles
+  reading dihedrals ...
+  207 dihedrals
+  reading impropers ...
+  12 impropers
+  4 = max # of 1-2 neighbors
+  7 = max # of 1-3 neighbors
+  14 = max # of 1-4 neighbors
+  18 = max # of special neighbors
+
+neighbor	2.0 bin
+neigh_modify	delay 5
+
+timestep	2.0
+
+group		peptide type <= 12
+84 atoms in group peptide
+group		one id 2 4 5 6
+4 atoms in group one
+group		two id 80 82 83 84
+4 atoms in group two
+group		ref id 37
+1 atoms in group ref
+group		colvar union one two ref
+9 atoms in group colvar
+
+fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
+
+fix		3  one spring couple two 100.0 0.0 0.0 0.0 10.0
+
+fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+  19 = # of size 2 clusters
+  6 = # of size 3 clusters
+  3 = # of size 4 clusters
+  640 = # of frozen angles
+
+#dump		1 colvar custom 1 dump.spring2.lammpstrj id xu yu zu fx fy fz
+#dump_modify 1  sort id
+
+thermo_style	custom step temp etotal pe ke epair ebond f_3
+thermo		10
+
+
+run		100
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.268725
+  grid = 15 15 15
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0228209
+  estimated relative force accuracy = 6.87243e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 4312 960
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 12
+  ghost atom cutoff = 12
+  binsize = 6, bins = 5 5 5
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/charmm/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+SHAKE stats (type/ave/delta) on step 0
+  4 1.111 1.44264e-05
+  6 0.996998 7.26967e-06
+  8 1.08 1.32536e-05
+  10 1.111 1.22749e-05
+  12 1.08 1.11767e-05
+  14 0.96 0
+  18 0.957206 4.37979e-05
+  31 104.519 0.00396029
+Per MPI rank memory allocation (min/avg/max) = 15.65 | 15.86 | 16.05 Mbytes
+Step Temp TotEng PotEng KinEng E_pair E_bond f_3 
+       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    273.74323 
+      10    333.47919   -4982.3968   -6324.0169    1341.6201   -6400.4223    21.367762    12.393263 
+      20    309.56902   -4999.4978   -6244.9249    1245.4271   -6401.6981     43.59542    13.004314 
+      30     316.9763   -5025.5662   -6300.7935    1275.2273   -6422.5375    27.323196    6.7589585 
+      40    297.55779   -5088.2204   -6285.3252    1197.1047    -6395.375      13.6769    25.625024 
+      50    296.79994   -5117.2966   -6311.3525    1194.0558   -6451.8309    30.631241    5.3320863 
+      60    281.72778   -5188.4969   -6321.9159     1133.419   -6427.8856    26.287723    20.574037 
+      70    277.26053   -5224.8434   -6340.2902    1115.4468   -6447.8521    27.742893   0.69420283 
+      80    268.01484   -5281.8509   -6360.1014    1078.2505   -6496.6086    20.300754    5.2607186 
+      90    270.43472   -5334.0835   -6422.0694    1087.9859   -6563.2511    39.846095    1.1832272 
+SHAKE stats (type/ave/delta) on step 100
+  4 1.11096 0.000191462
+  6 0.996989 3.55508e-05
+  8 1.08 9.0997e-06
+  10 1.111 1.58544e-05
+  12 1.08 5.80604e-06
+  14 0.959997 0
+  18 0.957198 2.92445e-05
+  31 104.52 0.00239923
+     100    260.35636   -5387.2284   -6434.6681    1047.4397   -6534.1956    20.246866  0.075048487 
+Loop time of 0.616036 on 4 procs for 100 steps with 2004 atoms
+
+Performance: 28.050 ns/day, 0.856 hours/ns, 162.328 timesteps/s
+99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.40372    | 0.41244    | 0.41714    |   0.8 | 66.95
+Bond    | 0.00053573 | 0.0011384  | 0.0017946  |   1.8 |  0.18
+Kspace  | 0.060087   | 0.063993   | 0.07306    |   2.1 | 10.39
+Neigh   | 0.1033     | 0.10349    | 0.1036     |   0.0 | 16.80
+Comm    | 0.01568    | 0.016453   | 0.017178   |   0.5 |  2.67
+Output  | 0.00028253 | 0.00032026 | 0.00043178 |   0.0 |  0.05
+Modify  | 0.016238   | 0.016955   | 0.017704   |   0.5 |  2.75
+Other   |            | 0.001239   |            |       |  0.20
+
+Nlocal:    501 ave 513 max 494 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+Nghost:    6572.5 ave 6593 max 6548 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    177058 ave 181778 max 174301 min
+Histogram: 2 0 0 0 1 0 0 0 0 1
+
+Total # of neighbors = 708234
+Ave neighs/atom = 353.41
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 13
+Dangerous builds = 1
+Total wall time: 0:00:00
diff --git a/examples/USER/colvars/log.peptide-colvars-1 b/examples/USER/colvars/log.peptide-colvars-1
deleted file mode 100644
index 515480efe5..0000000000
--- a/examples/USER/colvars/log.peptide-colvars-1
+++ /dev/null
@@ -1,516 +0,0 @@
-LAMMPS (21 May 2012-ICMS)
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  3 = max bonds/atom
-  6 = max angles/atom
-  14 = max dihedrals/atom
-  1 = max impropers/atom
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 1 MPI processor grid
-  2004 atoms
-  2004 velocities
-  1365 bonds
-  786 angles
-  207 dihedrals
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
-
-shell "rm -f out*.colvars.*"
-fix		2 all colvars peptide.colvars
-fix		2a ref setforce 0.0 0.0 0.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 10648 3375 5808
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out.colvars.state".
-colvars: The trajectory file will be "out.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 22.5866 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-       0    282.10052    -5237.458   -6372.3765    1134.9186   -6442.7679    16.557152    292.14604 
-      10    305.06198   -5058.8899   -6286.1847    1227.2948   -6413.0967    58.849896    103.38344 
-      20    311.00592   -4999.0544   -6250.2623    1251.2079   -6417.0984    47.695274    36.699706 
-      30    314.22398   -4993.6953   -6257.8498    1264.1545   -6421.9643    35.344163    10.563914 
-      40    297.87524   -5020.8339   -6219.2158    1198.3819   -6389.8501    27.723201    3.8354392 
-      50    304.02086   -5056.2539   -6279.3602    1223.1063   -6456.8181    55.459508   0.20679801 
-      60    285.92594   -5104.0436   -6254.3523    1150.3086   -6435.5793     32.76729   0.69356508 
-      70      277.835   -5163.9752   -6281.7332     1117.758   -6447.7015    39.627148    11.433632 
-      80    267.51473   -5206.4042   -6282.6427    1076.2385   -6456.6352    31.611843    6.3553235 
-      90    278.15513    -5245.383   -6364.4289    1119.0459   -6499.8037    28.849899   0.36938867 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97184e-05
-  6 0.996996 1.00568e-05
-  8 1.08 6.02345e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
-  14 0.959996 0
-  18 0.957198 3.36077e-05
-  31 104.52 0.00306008
-     100    260.10505   -5292.6892   -6339.1178    1046.4286   -6471.6694    25.361885    0.2198687 
-colvars: Saving collective variables state to "out.colvars.state".
-Loop time of 2.39102 on 1 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 1.86583 (78.0347)
- Bond time (%) = 0.00628591 (0.262896)
-Kspace time (%) = 0.165128 (6.90614)
-Neigh time (%) = 0.314792 (13.1656)
- Comm time (%) = 0.0111108 (0.464687)
-Output time (%) = 0.000252724 (0.0105697)
-Modify time (%) = 0.0253747 (1.06125)
-Other time (%) = 0.0022521 (0.0941899)
-
-FFT time (% of Kspce) = 0.0274372 (16.6158)
-FFT Gflps 3d (1d only) = 1.99867 2.86506
-
-Nlocal:    2004 ave 2004 max 2004 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    11124 ave 11124 max 11124 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    708237 ave 708237 max 708237 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 708237
-Ave neighs/atom = 353.412
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 12
-Dangerous builds = 2
-
-run     100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 10648 3375 5808
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out.colvars.state".
-colvars: The trajectory file will be "out.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Restarting from file "out.colvars.state".
-colvars:   Restarting collective variable "one" from value: 10.0137
-colvars:   Restarting collective variable "two" from value: 10.0649
-colvars:   Restarting harmonic bias "h_pot".
-colvars:   Reading current stage from the restart.
-colvars:   # stage = 3900175693153042431
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-colvars: Initializing step number as firstTimestep.
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97184e-05
-  6 0.996996 1.00568e-05
-  8 1.08 6.02345e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
-  14 0.959996 0
-  18 0.957198 3.36077e-05
-  31 104.52 0.00306008
-Memory usage per processor = 22.5866 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     100    260.10505   -5292.6892   -6339.1178    1046.4286   -6471.6694    25.361885    0.2198687 
-     110    266.26278   -5341.2103    -6412.412    1071.2018   -6552.7583    33.572968    1.9229782 
-     120    262.66442   -5386.2494   -6442.9746    1056.7252   -6587.5499    29.859553    2.7124877 
-     130     252.8344   -5422.5446   -6439.7226    1017.1781   -6580.4752    25.979049    1.2031628 
-     140    253.85115   -5452.1905   -6473.4591    1021.2686    -6609.489    26.071514   0.30586247 
-     150    261.31825     -5490.48   -6541.7895    1051.3095   -6646.6144    16.258548    6.9049974 
-     160     255.7368   -5521.6048   -6550.4596    1028.8547   -6658.1517    19.717533    12.339821 
-     170    253.42877   -5540.1003   -6559.6695    1019.5693   -6656.6878    23.293662    10.289878 
-     180    248.51086   -5550.3244   -6550.1084    999.78404   -6661.4182    26.200056    3.4339065 
-     190     250.8039   -5555.2614   -6564.2706    1009.0092     -6666.15    25.536594    3.3495152 
-SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.8129e-06
-  6 0.997 7.7964e-07
-  8 1.08 1.08934e-06
-  10 1.111 2.96501e-07
-  12 1.08 4.69174e-07
-  14 0.960001 0
-  18 0.957201 3.76571e-06
-  31 104.52 0.000411068
-     200    251.50581   -5557.4209   -6569.2539     1011.833   -6674.0867    24.805164    7.1388858 
-colvars: Saving collective variables state to "out.colvars.state".
-Loop time of 2.23495 on 1 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 1.84544 (82.572)
- Bond time (%) = 0.00609159 (0.27256)
-Kspace time (%) = 0.163201 (7.30223)
-Neigh time (%) = 0.183405 (8.20622)
- Comm time (%) = 0.00959301 (0.429227)
-Output time (%) = 0.000245094 (0.0109664)
-Modify time (%) = 0.0247326 (1.10663)
-Other time (%) = 0.00223875 (0.10017)
-
-FFT time (% of Kspce) = 0.0272989 (16.7271)
-FFT Gflps 3d (1d only) = 2.0088 2.93901
-
-Nlocal:    2004 ave 2004 max 2004 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    11159 ave 11159 max 11159 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    708088 ave 708088 max 708088 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 708088
-Ave neighs/atom = 353.337
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 7
-Dangerous builds = 0
-
-fix 2 all colvars peptide.colvars input out.colvars.state output out2
-
-run     100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 10648 3375 5808
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out2.colvars.state".
-colvars: The trajectory file will be "out2.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Restarting from file "out.colvars.state".
-colvars:   Restarting collective variable "one" from value: 10.0128
-colvars:   Restarting collective variable "two" from value: 9.62236
-colvars:   Restarting harmonic bias "h_pot".
-colvars:   Reading current stage from the restart.
-colvars:   # stage = 3900175693153042431
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-colvars: Initializing step number as firstTimestep.
-SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.8129e-06
-  6 0.997 7.7964e-07
-  8 1.08 1.08934e-06
-  10 1.111 2.96501e-07
-  12 1.08 4.69174e-07
-  14 0.960001 0
-  18 0.957201 3.76571e-06
-  31 104.52 0.000411068
-Memory usage per processor = 22.5866 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     200    251.50581   -5557.4209   -6569.2539     1011.833   -6674.0867    24.805164    7.1388858 
-     210    253.15043   -5538.5668   -6557.0163    1018.4495    -6672.041     37.67158   0.61296982 
-     220    245.19746   -5522.5242   -6508.9781     986.4539   -6628.1999    36.656356  0.048624555 
-     230    258.65299   -5495.7177   -6536.3046    1040.5868   -6658.0952    34.855726   0.22046598 
-     240    260.80143   -5469.8517   -6519.0819    1049.2302   -6624.1723    31.576409    3.7570726 
-     250    269.06507   -5438.3971   -6520.8727    1082.4757   -6616.3871    25.444125    8.6640978 
-     260    266.10282   -5397.3162   -6467.8744    1070.5583    -6580.628    26.873936    8.3330854 
-     270    272.81993   -5350.8393   -6448.4211    1097.5819   -6563.8139    23.113421    10.972906 
-     280    279.52079   -5307.9855   -6432.5256    1124.5401   -6557.7274    33.641095    8.5474821 
-     290    286.81184   -5260.8728   -6414.7455    1153.8727   -6515.5418    28.572468    5.9092648 
-SHAKE stats (type/ave/delta) on step 300
-  4 1.111 1.79733e-05
-  6 0.997005 1.02622e-05
-  8 1.08 1.84996e-05
-  10 1.111 9.98595e-06
-  12 1.08 8.83195e-06
-  14 0.960008 0
-  18 0.957203 1.84801e-05
-  31 104.52 0.00169221
-     300    291.51842   -5216.3285   -6389.1362    1172.8077   -6503.1141    27.877464    2.2482411 
-colvars: Saving collective variables state to "out2.colvars.state".
-Loop time of 2.25031 on 1 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 1.83745 (81.6533)
- Bond time (%) = 0.00609803 (0.270987)
-Kspace time (%) = 0.162178 (7.20694)
-Neigh time (%) = 0.207886 (9.23812)
- Comm time (%) = 0.00977254 (0.434276)
-Output time (%) = 0.000240803 (0.0107009)
-Modify time (%) = 0.024461 (1.08701)
-Other time (%) = 0.00221944 (0.0986283)
-
-FFT time (% of Kspce) = 0.0273609 (16.8709)
-FFT Gflps 3d (1d only) = 2.00425 2.94806
-
-Nlocal:    2004 ave 2004 max 2004 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    11292 ave 11292 max 11292 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    708145 ave 708145 max 708145 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 708145
-Ave neighs/atom = 353.366
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 8
-Dangerous builds = 0
-
diff --git a/examples/USER/colvars/log.peptide-colvars-4 b/examples/USER/colvars/log.peptide-colvars-4
deleted file mode 100644
index 4b7c045c4c..0000000000
--- a/examples/USER/colvars/log.peptide-colvars-4
+++ /dev/null
@@ -1,516 +0,0 @@
-LAMMPS (21 May 2012-ICMS)
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  3 = max bonds/atom
-  6 = max angles/atom
-  14 = max dihedrals/atom
-  1 = max impropers/atom
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 2 by 2 MPI processor grid
-  2004 atoms
-  2004 velocities
-  1365 bonds
-  786 angles
-  207 dihedrals
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
-
-shell "rm -f out*.colvars.*"
-fix		2 all colvars peptide.colvars
-fix		2a ref setforce 0.0 0.0 0.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-#dump		1 colvar custom 1 dump.colvar.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 4312 960 3696
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out.colvars.state".
-colvars: The trajectory file will be "out.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 10.1924 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-       0    282.10052    -5237.458   -6372.3765    1134.9186   -6442.7679    16.557152    292.14604 
-      10    305.06198   -5058.8898   -6286.1847    1227.2948   -6413.0967    58.849896    103.38344 
-      20    311.00592   -4999.0545   -6250.2624    1251.2079   -6417.0984    47.695274    36.699706 
-      30    314.22398   -4993.6953   -6257.8498    1264.1545   -6421.9643    35.344162    10.563914 
-      40    297.87524   -5020.8339   -6219.2157    1198.3819     -6389.85    27.723201    3.8354392 
-      50    304.02086    -5056.254   -6279.3603    1223.1063   -6456.8182    55.459508     0.206798 
-      60    285.92594   -5104.0436   -6254.3523    1150.3086   -6435.5793    32.767289   0.69356507 
-      70      277.835   -5163.9751   -6281.7331     1117.758   -6447.7014    39.627147    11.433632 
-      80    267.51474   -5206.4042   -6282.6428    1076.2385   -6456.6352    31.611843    6.3553237 
-      90    278.15513    -5245.383   -6364.4289    1119.0459   -6499.8036    28.849898   0.36938879 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97184e-05
-  6 0.996996 1.00568e-05
-  8 1.08 6.02345e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
-  14 0.959996 0
-  18 0.957198 3.36077e-05
-  31 104.52 0.00306008
-     100    260.10504   -5292.6891   -6339.1176    1046.4286   -6471.6693    25.361886   0.21986866 
-colvars: Saving collective variables state to "out.colvars.state".
-Loop time of 0.686681 on 4 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 0.47104 (68.5966)
- Bond time (%) = 0.00184608 (0.26884)
-Kspace time (%) = 0.0808357 (11.7719)
-Neigh time (%) = 0.0772016 (11.2427)
- Comm time (%) = 0.0293136 (4.26888)
-Output time (%) = 0.000323951 (0.0471764)
-Modify time (%) = 0.0247293 (3.60128)
-Other time (%) = 0.00139064 (0.202516)
-
-FFT time (% of Kspce) = 0.0117171 (14.4949)
-FFT Gflps 3d (1d only) = 4.68018 10.009
-
-Nlocal:    501 ave 513 max 489 min
-Histogram: 1 0 0 0 1 1 0 0 0 1
-Nghost:    6563.25 ave 6596 max 6519 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    177059 ave 181741 max 172943 min
-Histogram: 1 0 1 0 0 0 1 0 0 1
-
-Total # of neighbors = 708237
-Ave neighs/atom = 353.412
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 12
-Dangerous builds = 2
-
-run     100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 4312 960 3696
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out.colvars.state".
-colvars: The trajectory file will be "out.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Restarting from file "out.colvars.state".
-colvars:   Restarting collective variable "one" from value: 10.0137
-colvars:   Restarting collective variable "two" from value: 10.0649
-colvars:   Restarting harmonic bias "h_pot".
-colvars:   Reading current stage from the restart.
-colvars:   # stage = 8103505641670189088
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-colvars: Initializing step number as firstTimestep.
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97184e-05
-  6 0.996996 1.00568e-05
-  8 1.08 6.02345e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
-  14 0.959996 0
-  18 0.957198 3.36077e-05
-  31 104.52 0.00306008
-Memory usage per processor = 10.1967 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     100    260.10504   -5292.6891   -6339.1176    1046.4286   -6471.6693    25.361886   0.21986866 
-     110    266.26278   -5341.2101   -6412.4119    1071.2018   -6552.7582    33.572969    1.9229778 
-     120    262.66442   -5386.2494   -6442.9746    1056.7252   -6587.5499    29.859555    2.7124877 
-     130    252.83442   -5422.5444   -6439.7226    1017.1781   -6580.4752    25.979048    1.2031628 
-     140    253.85116   -5452.1905   -6473.4591    1021.2686    -6609.489    26.071518   0.30586252 
-     150    261.31828     -5490.48   -6541.7895    1051.3096   -6646.6145     16.25855    6.9049978 
-     160    255.73681   -5521.6048   -6550.4596    1028.8548   -6658.1518    19.717536    12.339819 
-     170    253.42879   -5540.1004   -6559.6697    1019.5694    -6656.688    23.293657    10.289879 
-     180    248.51083   -5550.3244   -6550.1084    999.78393   -6661.4181    26.200057     3.433906 
-     190    250.80387   -5555.2613   -6564.2703     1009.009   -6666.1497    25.536596    3.3495164 
-SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.8129e-06
-  6 0.997 7.79639e-07
-  8 1.08 1.08934e-06
-  10 1.111 2.96501e-07
-  12 1.08 4.69175e-07
-  14 0.960001 0
-  18 0.957201 3.76571e-06
-  31 104.52 0.000411069
-     200    251.50575   -5557.4209   -6569.2537    1011.8328   -6674.0864    24.805164    7.1388874 
-colvars: Saving collective variables state to "out.colvars.state".
-Loop time of 0.653275 on 4 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 0.47279 (72.3723)
- Bond time (%) = 0.00182116 (0.278774)
-Kspace time (%) = 0.079544 (12.1762)
-Neigh time (%) = 0.0451868 (6.91696)
- Comm time (%) = 0.027427 (4.19838)
-Output time (%) = 0.000316501 (0.0484483)
-Modify time (%) = 0.0247022 (3.78129)
-Other time (%) = 0.00148731 (0.227671)
-
-FFT time (% of Kspce) = 0.0109947 (13.8221)
-FFT Gflps 3d (1d only) = 4.98769 10.1728
-
-Nlocal:    501 ave 513 max 481 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    6556.5 ave 6608 max 6514 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Neighs:    177022 ave 182261 max 172093 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-
-Total # of neighbors = 708086
-Ave neighs/atom = 353.336
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 7
-Dangerous builds = 0
-
-fix 2 all colvars peptide.colvars input out.colvars.state output out2
-
-run     100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 4312 960 3696
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "out2.colvars.state".
-colvars: The trajectory file will be "out2.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = two
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 1 initialized: total mass = 12.011.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 2 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one, two }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10, 10 }
-colvars:   # targetCenters = { 10, 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Restarting from file "out.colvars.state".
-colvars:   Restarting collective variable "one" from value: 10.0128
-colvars:   Restarting collective variable "two" from value: 9.62236
-colvars:   Restarting harmonic bias "h_pot".
-colvars:   Reading current stage from the restart.
-colvars:   # stage = 8103505641670189088
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-colvars: Initializing step number as firstTimestep.
-SHAKE stats (type/ave/delta) on step 200
-  4 1.111 1.8129e-06
-  6 0.997 7.79639e-07
-  8 1.08 1.08934e-06
-  10 1.111 2.96501e-07
-  12 1.08 4.69175e-07
-  14 0.960001 0
-  18 0.957201 3.76571e-06
-  31 104.52 0.000411069
-Memory usage per processor = 10.201 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-     200    251.50575   -5557.4209   -6569.2537    1011.8328   -6674.0864    24.805164    7.1388874 
-     210    253.15047   -5538.5669   -6557.0165    1018.4497   -6672.0412    37.671574   0.61297094 
-     220    245.19752   -5522.5242   -6508.9784    986.45412   -6628.2001    36.656348  0.048624447 
-     230    258.65297   -5495.7177   -6536.3044    1040.5868   -6658.0951    34.855726   0.22046446 
-     240     260.8016   -5469.8518   -6519.0827    1049.2309    -6624.173    31.576408     3.757081 
-     250    269.06524   -5438.3971   -6520.8735    1082.4764   -6616.3878    25.444134    8.6641098 
-     260    266.10241    -5397.317   -6467.8736    1070.5566   -6580.6272     26.87393     8.333095 
-     270    272.82004   -5350.8402   -6448.4225    1097.5823   -6563.8152    23.113398    10.972914 
-     280    279.52006   -5307.9867   -6432.5238    1124.5371   -6557.7256    33.641067    8.5474809 
-     290    286.81221   -5260.8707   -6414.7449    1153.8742   -6515.5413    28.572449    5.9092582 
-SHAKE stats (type/ave/delta) on step 300
-  4 1.111 1.79733e-05
-  6 0.997005 1.02621e-05
-  8 1.08 1.84996e-05
-  10 1.111 9.98591e-06
-  12 1.08 8.83192e-06
-  14 0.960008 0
-  18 0.957203 1.84805e-05
-  31 104.52 0.00169223
-     300    291.51901   -5216.3298   -6389.1399    1172.8101   -6503.1178    27.877408    2.2482392 
-colvars: Saving collective variables state to "out2.colvars.state".
-Loop time of 0.662081 on 4 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 0.47307 (71.452)
- Bond time (%) = 0.00178617 (0.269781)
-Kspace time (%) = 0.0802494 (12.1208)
-Neigh time (%) = 0.0528576 (7.98355)
- Comm time (%) = 0.0277618 (4.19311)
-Output time (%) = 0.000293612 (0.0443469)
-Modify time (%) = 0.0245907 (3.71416)
-Other time (%) = 0.00147164 (0.222275)
-
-FFT time (% of Kspce) = 0.011487 (14.3141)
-FFT Gflps 3d (1d only) = 4.77392 9.91625
-
-Nlocal:    501 ave 514 max 471 min
-Histogram: 1 0 0 0 0 0 0 0 1 2
-Nghost:    6609.75 ave 6681 max 6555 min
-Histogram: 1 1 0 0 0 1 0 0 0 1
-Neighs:    177036 ave 180240 max 169752 min
-Histogram: 1 0 0 0 0 0 0 0 1 2
-
-Total # of neighbors = 708146
-Ave neighs/atom = 353.366
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 8
-Dangerous builds = 0
-
diff --git a/examples/USER/colvars/log.peptide-colvars2-1 b/examples/USER/colvars/log.peptide-colvars2-1
deleted file mode 100644
index 21b4ce5f27..0000000000
--- a/examples/USER/colvars/log.peptide-colvars2-1
+++ /dev/null
@@ -1,182 +0,0 @@
-LAMMPS (21 May 2012-ICMS)
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  3 = max bonds/atom
-  6 = max angles/atom
-  14 = max dihedrals/atom
-  1 = max impropers/atom
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 1 MPI processor grid
-  2004 atoms
-  2004 velocities
-  1365 bonds
-  786 angles
-  207 dihedrals
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
-
-shell "rm -f peptide2.colvars.*"
-fix		2 all colvars peptide.colvars2 output peptide2
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-#dump		1 colvar custom 1 dump.colvar2.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 10648 3375 5808
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "peptide2.colvars.state".
-colvars: The trajectory file will be "peptide2.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 4 initialized: total mass = 15.035.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10 }
-colvars:   # targetCenters = { 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 22.5865 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-       0    282.10052    -5237.458   -6372.3765    1134.9186   -6442.7679    16.557152    273.74323 
-      10    333.47973   -4982.3893   -6324.0116    1341.6223   -6400.4169    21.367753    12.393269 
-      20    309.56974   -4999.4934   -6244.9234      1245.43    -6401.697    43.595449    13.004392 
-      30    316.97689   -5025.5598   -6300.7895    1275.2297   -6422.5335    27.323113    6.7588862 
-      40     297.5581   -5088.2156   -6285.3215     1197.106   -6395.3714    13.676872    25.625156 
-      50    296.80003   -5117.2926   -6311.3488    1194.0562   -6451.8274    30.631279    5.3320296 
-      60    281.72797   -5188.4941   -6321.9139    1133.4198   -6427.8834    26.287652    20.573958 
-      70    277.26045   -5224.8417   -6340.2882    1115.4465   -6447.8496    27.742888   0.69414894 
-      80    268.01458   -5281.8503   -6360.0997    1078.2494   -6496.6064    20.300731    5.2606438 
-      90    270.43386   -5334.0846    -6422.067    1087.9824   -6563.2486    39.845993    1.1832496 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11096 0.000191466
-  6 0.996989 3.5552e-05
-  8 1.08 9.1e-06
-  10 1.111 1.58547e-05
-  12 1.08 5.80613e-06
-  14 0.959997 0
-  18 0.957198 2.92453e-05
-  31 104.52 0.00239929
-     100     260.3562   -5387.2263   -6434.6653     1047.439   -6534.1923     20.24674  0.075048834 
-colvars: Saving collective variables state to "peptide2.colvars.state".
-Loop time of 2.37975 on 1 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 1.83713 (77.1984)
- Bond time (%) = 0.00636029 (0.267267)
-Kspace time (%) = 0.162295 (6.81981)
-Neigh time (%) = 0.336338 (14.1333)
- Comm time (%) = 0.0106671 (0.448243)
-Output time (%) = 0.000264168 (0.0111006)
-Modify time (%) = 0.024472 (1.02834)
-Other time (%) = 0.00222516 (0.0935038)
-
-FFT time (% of Kspce) = 0.028162 (17.3524)
-FFT Gflps 3d (1d only) = 1.94723 2.85015
-
-Nlocal:    2004 ave 2004 max 2004 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    11143 ave 11143 max 11143 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    708233 ave 708233 max 708233 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 708233
-Ave neighs/atom = 353.41
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 13
-Dangerous builds = 1
diff --git a/examples/USER/colvars/log.peptide-colvars2-4 b/examples/USER/colvars/log.peptide-colvars2-4
deleted file mode 100644
index 38e6cc9384..0000000000
--- a/examples/USER/colvars/log.peptide-colvars2-4
+++ /dev/null
@@ -1,182 +0,0 @@
-LAMMPS (21 May 2012-ICMS)
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  3 = max bonds/atom
-  6 = max angles/atom
-  14 = max dihedrals/atom
-  1 = max impropers/atom
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 2 by 2 MPI processor grid
-  2004 atoms
-  2004 velocities
-  1365 bonds
-  786 angles
-  207 dihedrals
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
-
-shell "rm -f peptide2.colvars.*"
-fix		2 all colvars peptide.colvars2 output peptide2
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-#dump		1 colvar custom 1 dump.colvar2.lammpstrj id xu yu zu fx fy fz
-#dump_modify 1 sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_2
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268721
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.01614
-  estimated relative force accuracy = 4.86052e-05
-  using single precision FFTs
-  brick FFT buffer size/proc = 4312 960 3696
-colvars: ----------------------------------------------------------------------
-colvars: Initializing the collective variables module, version 2012-03-23.
-colvars: # analysis = off [default]
-colvars: # colvarsTrajFrequency = 1
-colvars: # colvarsRestartFrequency = 1000
-colvars: # colvarsTrajAppend = off [default]
-colvars: The restart output state file will be "rest.colvars.state".
-colvars: The final output state file will be "peptide2.colvars.state".
-colvars: The trajectory file will be "peptide2.colvars.traj".
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new collective variable.
-colvars:   # name = one
-colvars:   Initializing a new "distance" component.
-colvars:     # componentCoeff = 1 [default]
-colvars:     # componentExp = 1 [default]
-colvars:     # period = 0 [default]
-colvars:     # wrapAround = 0 [default]
-colvars:     # forceNoPBC = off [default]
-colvars:     # oneSiteSystemForce = off [default]
-colvars:       Initializing atom group "group1".
-colvars:       Atom group "group1" defined, 4 initialized: total mass = 15.035.
-colvars:       Initializing atom group "group2".
-colvars:       Atom group "group2" defined, 4 initialized: total mass = 15.035.
-colvars:   All components initialized.
-colvars:   # width = 1 [default]
-colvars:   # lowerBoundary = 0 [default]
-colvars:   # lowerWallConstant = 0 [default]
-colvars:   # upperBoundary = 0 [default]
-colvars:   # upperWallConstant = 0 [default]
-colvars:   # expandBoundaries = off [default]
-colvars:   # extendedLagrangian = off [default]
-colvars:   # outputValue = on [default]
-colvars:   # outputVelocity = off [default]
-colvars:   # outputSystemForce = off [default]
-colvars:   # outputAppliedForce = off [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars:   Initializing a new "harmonic" instance.
-colvars:   # name = h_pot
-colvars:   # colvars = { one }
-colvars:   # forceConstant = 100
-colvars:   # centers = { 10 }
-colvars:   # targetCenters = { 10 } [default]
-colvars:   # targetForceConstant = 0 [default]
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables biases initialized, 1 in total.
-colvars: ----------------------------------------------------------------------
-colvars: Collective variables module initialized.
-colvars: ----------------------------------------------------------------------
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 10.1924 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 2 
-       0    282.10052    -5237.458   -6372.3765    1134.9186   -6442.7679    16.557152    273.74323 
-      10    333.47973   -4982.3893   -6324.0116    1341.6223    -6400.417    21.367753    12.393269 
-      20    309.56974   -4999.4934   -6244.9234      1245.43    -6401.697    43.595449    13.004392 
-      30    316.97689   -5025.5598   -6300.7896    1275.2297   -6422.5336    27.323113    6.7588863 
-      40     297.5581   -5088.2155   -6285.3215     1197.106   -6395.3714    13.676872    25.625156 
-      50    296.80003   -5117.2927   -6311.3488    1194.0562   -6451.8275    30.631279    5.3320297 
-      60    281.72797    -5188.494   -6321.9138    1133.4198   -6427.8833    26.287652    20.573959 
-      70    277.26045   -5224.8417   -6340.2882    1115.4465   -6447.8496    27.742889   0.69414888 
-      80    268.01458   -5281.8503   -6360.0997    1078.2494   -6496.6064    20.300731    5.2606437 
-      90    270.43386   -5334.0846    -6422.067    1087.9825   -6563.2486    39.845992    1.1832495 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11096 0.000191466
-  6 0.996989 3.5552e-05
-  8 1.08 9.10001e-06
-  10 1.111 1.58547e-05
-  12 1.08 5.80613e-06
-  14 0.959997 0
-  18 0.957198 2.92453e-05
-  31 104.52 0.00239929
-     100    260.35619   -5387.2298   -6434.6688     1047.439   -6534.1958     20.24674   0.07504876 
-colvars: Saving collective variables state to "peptide2.colvars.state".
-Loop time of 0.650999 on 4 procs for 100 steps with 2004 atoms
-
- Pair time (%) = 0.466917 (71.7232)
- Bond time (%) = 0.00176847 (0.271655)
-Kspace time (%) = 0.0588512 (9.04015)
-Neigh time (%) = 0.0832494 (12.788)
- Comm time (%) = 0.0190871 (2.93197)
-Output time (%) = 0.000295341 (0.0453674)
-Modify time (%) = 0.0194815 (2.99255)
-Other time (%) = 0.00134867 (0.20717)
-
-FFT time (% of Kspce) = 0.010457 (17.7686)
-FFT Gflps 3d (1d only) = 5.24412 9.93123
-
-Nlocal:    501 ave 513 max 494 min
-Histogram: 1 1 0 1 0 0 0 0 0 1
-Nghost:    6572.5 ave 6593 max 6548 min
-Histogram: 1 0 1 0 0 0 0 0 0 2
-Neighs:    177058 ave 181777 max 174301 min
-Histogram: 2 0 0 0 1 0 0 0 0 1
-
-Total # of neighbors = 708233
-Ave neighs/atom = 353.41
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 13
-Dangerous builds = 1
diff --git a/examples/USER/colvars/log.peptide-spring b/examples/USER/colvars/log.peptide-spring
deleted file mode 100644
index f88eb4a6ba..0000000000
--- a/examples/USER/colvars/log.peptide-spring
+++ /dev/null
@@ -1,150 +0,0 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
-  using 1 OpenMP thread(s) per MPI task
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  2004 atoms
-  reading velocities ...
-  2004 velocities
-  scanning bonds ...
-  3 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  14 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  1365 bonds
-  reading angles ...
-  786 angles
-  reading dihedrals ...
-  207 dihedrals
-  reading impropers ...
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp 275.0 275.0 100.0 tchain 1
-
-fix		3a one spring couple ref 100.0 0.0 0.0 0.0 10.0
-fix		3b two spring couple ref 100.0 0.0 0.0 0.0 10.0
-
-fix		2a ref setforce 0.0 0.0 0.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-dump		1 colvar custom 1 dump.spring.lammpstrj id xu yu zu fx fy fz
-dump_modify 1  sort id
-
-variable sp equal f_3a+f_3b
-
-thermo_style	custom step temp etotal pe ke epair ebond v_sp
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268725
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0228209
-  estimated relative force accuracy = 6.87243e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 11.5952 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond sp 
-       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    292.14604 
-      10    305.06198     -5058.89   -6286.1848    1227.2948   -6413.0968    58.849896    103.38344 
-      20    311.00591   -4999.0544   -6250.2623    1251.2079   -6417.0983    47.695275    36.699706 
-      30    314.22398   -4993.6951   -6257.8496    1264.1545   -6421.9641    35.344161    10.563914 
-      40    297.87525   -5020.8339   -6219.2158    1198.3819   -6389.8501      27.7232    3.8354396 
-      50    304.02085   -5056.2539   -6279.3602    1223.1063   -6456.8181    55.459511   0.20679816 
-      60    285.92595   -5104.0436   -6254.3523    1150.3087   -6435.5793    32.767289   0.69356527 
-      70    277.83498   -5163.9751    -6281.733    1117.7579   -6447.7013    39.627151    11.433633 
-      80    267.51476   -5206.4042   -6282.6428    1076.2386   -6456.6353    31.611841    6.3553235 
-      90    278.15512    -5245.383   -6364.4289    1119.0458   -6499.8037    28.849902   0.36938816 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11098 8.97185e-05
-  6 0.996996 1.00569e-05
-  8 1.08 6.02346e-06
-  10 1.111 1.84257e-05
-  12 1.08 7.27136e-06
-  14 0.959996 0
-  18 0.957198 3.36078e-05
-  31 104.52 0.00306008
-     100    260.10505    -5292.689   -6339.1176    1046.4286   -6471.6693    25.361881   0.21986866 
-
-Loop time of 1.07153 on 2 procs for 100 steps with 2004 atoms
-98.1% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 16.126 ns/day  1.488 hours/ns  93.325 timesteps/s
-
-MPI task timings breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.76688    | 0.77633    | 0.78579    |   1.1 | 72.45
-Bond    | 0.0024021  | 0.0025222  | 0.0026424  |   0.2 |  0.24
-Kspace  | 0.095468   | 0.10394    | 0.1124     |   2.6 |  9.70
-Neigh   | 0.13518    | 0.13518    | 0.13519    |   0.0 | 12.62
-Comm    | 0.018154   | 0.018954   | 0.019754   |   0.6 |  1.77
-Output  | 0.005975   | 0.0066451  | 0.0073152  |   0.8 |  0.62
-Modify  | 0.025297   | 0.025306   | 0.025314   |   0.0 |  2.36
-Other   |            | 0.002651   |            |       |  0.25
-
-Nlocal:    1002 ave 1013 max 991 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8629.5 ave 8641 max 8618 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354118 ave 356534 max 351703 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 708237
-Ave neighs/atom = 353.412
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 12
-Dangerous builds = 2
diff --git a/examples/USER/colvars/log.peptide-spring2 b/examples/USER/colvars/log.peptide-spring2
deleted file mode 100644
index e32506b6cd..0000000000
--- a/examples/USER/colvars/log.peptide-spring2
+++ /dev/null
@@ -1,145 +0,0 @@
-LAMMPS (20 Mar 2014-ICMS)
-WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
-  using 1 OpenMP thread(s) per MPI task
-# Solvated 5-mer peptide
-
-units		real
-atom_style	full
-
-pair_style	lj/charmm/coul/long 8.0 10.0 10.0
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-kspace_style	pppm 0.0001
-
-read_data	data.peptide
-  orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
-  1 by 1 by 2 MPI processor grid
-  reading atoms ...
-  2004 atoms
-  reading velocities ...
-  2004 velocities
-  scanning bonds ...
-  3 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  14 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  1365 bonds
-  reading angles ...
-  786 angles
-  reading dihedrals ...
-  207 dihedrals
-  reading impropers ...
-  12 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  14 = max # of 1-4 neighbors
-  18 = max # of special neighbors
-
-neighbor	2.0 bin
-neigh_modify	delay 5
-
-timestep	2.0
-
-group		peptide type <= 12
-84 atoms in group peptide
-group		one id 2 4 5 6
-4 atoms in group one
-group		two id 80 82 83 84
-4 atoms in group two
-group		ref id 37
-1 atoms in group ref
-group		colvar union one two ref
-9 atoms in group colvar
-
-fix		1 all nvt temp  275.0 275.0 100.0 tchain 1
-
-fix		3  one spring couple two 100.0 0.0 0.0 0.0 10.0
-
-fix		4 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
-  19 = # of size 2 clusters
-  6 = # of size 3 clusters
-  3 = # of size 4 clusters
-  640 = # of frozen angles
-
-dump		1 colvar custom 1 dump.spring2.lammpstrj id xu yu zu fx fy fz
-dump_modify 1  sort id
-
-thermo_style	custom step temp etotal pe ke epair ebond f_3
-thermo		10
-
-
-run		100
-PPPM initialization ...
-  G vector (1/distance) = 0.268725
-  grid = 15 15 15
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0228209
-  estimated relative force accuracy = 6.87243e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 6776 1800
-SHAKE stats (type/ave/delta) on step 0
-  4 1.111 1.44264e-05
-  6 0.996998 7.26967e-06
-  8 1.08 1.32536e-05
-  10 1.111 1.22749e-05
-  12 1.08 1.11767e-05
-  14 0.96 0
-  18 0.957206 4.37979e-05
-  31 104.519 0.00396029
-Memory usage per processor = 11.5952 Mbytes
-Step Temp TotEng PotEng KinEng E_pair E_bond 3 
-       0    282.10052    -5237.458   -6372.3766    1134.9186    -6442.768    16.557152    273.74323 
-      10    333.47973   -4982.3893   -6324.0116    1341.6223    -6400.417    21.367753    12.393269 
-      20    309.56974   -4999.4934   -6244.9234      1245.43   -6401.6969    43.595447    13.004393 
-      30    316.97689   -5025.5598   -6300.7895    1275.2297   -6422.5335    27.323113    6.7588862 
-      40    297.55811   -5088.2155   -6285.3215     1197.106   -6395.3714    13.676871    25.625154 
-      50    296.80002   -5117.2927   -6311.3488    1194.0561   -6451.8274    30.631277    5.3320302 
-      60    281.72798    -5188.494   -6321.9138    1133.4198   -6427.8834     26.28765    20.573958 
-      70    277.26045   -5224.8415    -6340.288    1115.4465   -6447.8494    27.742889   0.69414895 
-      80    268.01458   -5281.8501   -6360.0995    1078.2495   -6496.6062    20.300729     5.260642 
-      90    270.43384   -5334.0847   -6422.0671    1087.9824   -6563.2486    39.845992     1.183249 
-SHAKE stats (type/ave/delta) on step 100
-  4 1.11096 0.000191466
-  6 0.996989 3.5552e-05
-  8 1.08 9.10001e-06
-  10 1.111 1.58547e-05
-  12 1.08 5.80613e-06
-  14 0.959997 0
-  18 0.957198 2.92454e-05
-  31 104.52 0.00239929
-     100    260.35617   -5387.2297   -6434.6686    1047.4389   -6534.1956    20.246734  0.075048996 
-
-Loop time of 1.07264 on 2 procs for 100 steps with 2004 atoms
-98.6% CPU use with 2 MPI tasks x 1 OpenMP threads
-Performance: 16.110 ns/day  1.490 hours/ns  93.228 timesteps/s
-
-MPI task timings breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.76647    | 0.77219    | 0.77792    |   0.7 | 71.99
-Bond    | 0.0024974  | 0.0025403  | 0.0025833  |   0.1 |  0.24
-Kspace  | 0.091998   | 0.096921   | 0.10184    |   1.6 |  9.04
-Neigh   | 0.14764    | 0.14765    | 0.14767    |   0.0 | 13.77
-Comm    | 0.018904   | 0.01937    | 0.019835   |   0.3 |  1.81
-Output  | 0.005985   | 0.0067209  | 0.0074568  |   0.9 |  0.63
-Modify  | 0.024529   | 0.024536   | 0.024542   |   0.0 |  2.29
-Other   |            | 0.002705   |            |       |  0.25
-
-Nlocal:    1002 ave 1010 max 994 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Nghost:    8645 ave 8652 max 8638 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-Neighs:    354116 ave 356373 max 351860 min
-Histogram: 1 0 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 708233
-Ave neighs/atom = 353.41
-Ave special neighs/atom = 2.34032
-Neighbor list builds = 13
-Dangerous builds = 1
diff --git a/examples/USER/colvars/out.colvars.state b/examples/USER/colvars/out.colvars.state
index 3c0b4752e8..e5c6e98ef5 100644
--- a/examples/USER/colvars/out.colvars.state
+++ b/examples/USER/colvars/out.colvars.state
@@ -1,22 +1,23 @@
 configuration {
   step          200
   dt 2.000000e+00
+  version 2018-11-16
 }
 
 colvar {
   name one
-  x  1.00127641579482e+01
+  x  1.00127732034965e+01
 }
 
 colvar {
   name two
-  x  9.62235621950587e+00
+  x  9.62235997490241e+00
 }
 
-harmonic {
+restraint {
   configuration {
+    step 200
     name h_pot
-    stage 8103505641670189088
   }
 }
 
diff --git a/examples/USER/colvars/out.colvars.state.old b/examples/USER/colvars/out.colvars.state.old
new file mode 100644
index 0000000000..ea33a8b1b1
--- /dev/null
+++ b/examples/USER/colvars/out.colvars.state.old
@@ -0,0 +1,23 @@
+configuration {
+  step          100
+  dt 2.000000e+00
+  version 2018-11-16
+}
+
+colvar {
+  name one
+  x  1.00136989326255e+01
+}
+
+colvar {
+  name two
+  x  1.00648830006091e+01
+}
+
+restraint {
+  configuration {
+    step 100
+    name h_pot
+  }
+}
+
diff --git a/examples/USER/colvars/out.colvars.traj b/examples/USER/colvars/out.colvars.traj
index 4d835cadcd..15aa912846 100644
--- a/examples/USER/colvars/out.colvars.traj
+++ b/examples/USER/colvars/out.colvars.traj
@@ -1,102 +1,203 @@
-# step         one                    two                  
-         100    1.00136999784453e+01   1.00648820764882e+01
-         101    1.00137686830422e+01   1.00611307186442e+01
-         102    1.00135851804620e+01   1.00551774768670e+01
-         103    1.00127019172615e+01   1.00448609599088e+01
-         104    1.00107148677220e+01   1.00279880647254e+01
-         105    1.00073753998706e+01   1.00031566249892e+01
-         106    1.00026887490897e+01   9.97035299845099e+00
-         107    9.99696380204809e+00   9.93114513453873e+00
-         108    9.99079173947846e+00   9.88834426761621e+00
-         109    9.98495634348822e+00   9.84525182069547e+00
-         110    9.98029608653331e+00   9.80488128973958e+00
-         111    9.97755063903513e+00   9.76956423088248e+00
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+         188    1.00273887691195e+01   9.75895345517658e+00 
+         189    1.00277400472209e+01   9.75275536148299e+00 
+         190    1.00272200725279e+01   9.74261382746486e+00 
+         191    1.00258549688160e+01   9.73056754269459e+00 
+         192    1.00238089567536e+01   9.71853980670345e+00 
+         193    1.00213474465750e+01   9.70762043885231e+00 
+         194    1.00187805230869e+01   9.69773175124558e+00 
+         195    1.00164016154513e+01   9.68784935173366e+00 
+         196    1.00144402674219e+01   9.67667427007303e+00 
+         197    1.00130444574495e+01   9.66343938720852e+00 
+         198    1.00122912607270e+01   9.64854739476250e+00 
+         199    1.00122066750836e+01   9.63383866331536e+00 
+         200    1.00127732034965e+01   9.62235997490241e+00 
diff --git a/examples/USER/colvars/out2.colvars.state b/examples/USER/colvars/out2.colvars.state
index 8917077caf..e923862831 100644
--- a/examples/USER/colvars/out2.colvars.state
+++ b/examples/USER/colvars/out2.colvars.state
@@ -1,22 +1,23 @@
 configuration {
   step          300
   dt 2.000000e+00
+  version 2018-11-16
 }
 
 colvar {
   name one
-  x  9.95354148699614e+00
+  x  9.95315918568411e+00
 }
 
 colvar {
   name two
-  x  9.79310294857288e+00
+  x  9.79318883680258e+00
 }
 
-harmonic {
+restraint {
   configuration {
+    step 300
     name h_pot
-    stage 8103505641670189088
   }
 }
 
diff --git a/examples/USER/colvars/out2.colvars.traj b/examples/USER/colvars/out2.colvars.traj
index 5130ca99f1..365f9b8306 100644
--- a/examples/USER/colvars/out2.colvars.traj
+++ b/examples/USER/colvars/out2.colvars.traj
@@ -1,102 +1,102 @@
-# step         one                    two                  
-         200    1.00127641579482e+01   9.62235621950587e+00
-         201    1.00139098397954e+01   9.61766067322651e+00
-         202    1.00154895322849e+01   9.62284260846102e+00
-         203    1.00172625720562e+01   9.63964717046032e+00
-         204    1.00188930177704e+01   9.66786064733448e+00
-         205    1.00199761813056e+01   9.70519780219794e+00
-         206    1.00200944106384e+01   9.74779969655747e+00
-         207    1.00188963572281e+01   9.79111374012340e+00
-         208    1.00161883604793e+01   9.83086787098858e+00
-         209    1.00120201470551e+01   9.86403984083060e+00
-         210    1.00067290723642e+01   9.88948240692241e+00
-         211    1.00009114042457e+01   9.90790280320401e+00
-         212    9.99530858712775e+00   9.92119319076851e+00
-         213    9.99063126799011e+00   9.93149262690681e+00
-         214    9.98737350983788e+00   9.94043951053174e+00
-         215    9.98567811211086e+00   9.94878566374960e+00
-         216    9.98529977833156e+00   9.95640488686023e+00
-         217    9.98567740511041e+00   9.96270367197379e+00
-         218    9.98609281741416e+00   9.96726160094494e+00
-         219    9.98586784093273e+00   9.97033437532426e+00
-         220    9.98454831898211e+00   9.97291246609646e+00
-         221    9.98202887687821e+00   9.97627400695988e+00
-         222    9.97858776161328e+00   9.98128372296812e+00
-         223    9.97481791063232e+00   9.98787692577356e+00
-         224    9.97146915301902e+00   9.99495319867179e+00
-         225    9.96924741695340e+00   1.00005781312739e+01
-         226    9.96863280571612e+00   1.00023562928510e+01
-         227    9.96977462939505e+00   9.99793468396390e+00
-         228    9.97249206995624e+00   9.98558877312050e+00
-         229    9.97637419760570e+00   9.96476526430303e+00
-         230    9.98093600414111e+00   9.93639297716863e+00
-         231    9.98577334632368e+00   9.90279138444459e+00
-         232    9.99066901099700e+00   9.86714667869485e+00
-         233    9.99562704815141e+00   9.83274230148512e+00
-         234    1.00008356809073e+01   9.80226834521352e+00
-         235    1.00065772362800e+01   9.77744581513232e+00
-         236    1.00131097048912e+01   9.75894408214992e+00
-         237    1.00205553485494e+01   9.74639403983496e+00
-         238    1.00288314258010e+01   9.73851464709533e+00
-         239    1.00376482262668e+01   9.73355843502651e+00
-         240    1.00465718867162e+01   9.72986544373201e+00
-         241    1.00551241447104e+01   9.72616365347388e+00
-         242    1.00628799016098e+01   9.72156081057173e+00
-         243    1.00695359569141e+01   9.71533506969961e+00
-         244    1.00749394351078e+01   9.70669135454371e+00
-         245    1.00790729024702e+01   9.69470862769774e+00
-         246    1.00820010382698e+01   9.67869454326621e+00
-         247    1.00837917095021e+01   9.65894101136318e+00
-         248    1.00844414119874e+01   9.63696223650643e+00
-         249    1.00838441989246e+01   9.61423476365400e+00
-         250    1.00818306797879e+01   9.59185059543549e+00
-         251    1.00782686429397e+01   9.57154356576350e+00
-         252    1.00731806695096e+01   9.55550278600070e+00
-         253    1.00668200834919e+01   9.54554307033366e+00
-         254    1.00596730176507e+01   9.54248962932697e+00
-         255    1.00523895763009e+01   9.54590976255577e+00
-         256    1.00456784264533e+01   9.55421544253452e+00
-         257    1.00402005024002e+01   9.56513899116782e+00
-         258    1.00364831006552e+01   9.57640458000444e+00
-         259    1.00348576492106e+01   9.58619146455749e+00
-         260    1.00354210621162e+01   9.59329709957898e+00
-         261    1.00380245202744e+01   9.59728096353517e+00
-         262    1.00422960600822e+01   9.59832037848005e+00
-         263    1.00476990763950e+01   9.59672497993560e+00
-         264    1.00536104533027e+01   9.59261911381189e+00
-         265    1.00594002482137e+01   9.58602304006163e+00
-         266    1.00644981793165e+01   9.57714719542419e+00
-         267    1.00684482704210e+01   9.56662135439055e+00
-         268    1.00709580655557e+01   9.55551489305294e+00
-         269    1.00719418900228e+01   9.54518226195314e+00
-         270    1.00715463773733e+01   9.53703197862875e+00
-         271    1.00701345227997e+01   9.53228911010047e+00
-         272    1.00682184887617e+01   9.53176321322706e+00
-         273    1.00663378629920e+01   9.53558933249131e+00
-         274    1.00649132448630e+01   9.54304329234477e+00
-         275    1.00641243212406e+01   9.55266696753925e+00
-         276    1.00638595454980e+01   9.56275901409309e+00
-         277    1.00637587244679e+01   9.57196213233751e+00
-         278    1.00633313189549e+01   9.57961568108488e+00
-         279    1.00621123193119e+01   9.58575692732997e+00
-         280    1.00598117112007e+01   9.59088855190189e+00
-         281    1.00564177173993e+01   9.59570566223894e+00
-         282    1.00522270044392e+01   9.60088836897012e+00
-         283    1.00477888199161e+01   9.60693590561625e+00
-         284    1.00437690523107e+01   9.61400570555926e+00
-         285    1.00407622307256e+01   9.62182265962647e+00
-         286    1.00391028258991e+01   9.62979902243492e+00
-         287    1.00387366035163e+01   9.63738040674711e+00
-         288    1.00391979793082e+01   9.64439605217689e+00
-         289    1.00397008587343e+01   9.65118231683256e+00
-         290    1.00393154139857e+01   9.65847479887268e+00
-         291    1.00371856971467e+01   9.66716430247627e+00
-         292    1.00327325013742e+01   9.67799413246555e+00
-         293    1.00257889436952e+01   9.69130066948859e+00
-         294    1.00166284740574e+01   9.70687426338097e+00
-         295    1.00058767991341e+01   9.72395332252100e+00
-         296    9.99433972822595e+00   9.74134088397850e+00
-         297    9.98281255441855e+00   9.75768650006539e+00
-         298    9.97193339524040e+00   9.77194269576588e+00
-         299    9.96211387496966e+00   9.78370254738211e+00
-         300    9.95354148699614e+00   9.79310294857288e+00
+# step         one                    two                   
+         200    1.00127732034965e+01   9.62235997490241e+00 
+         201    1.00139198864982e+01   9.61766167925624e+00 
+         202    1.00155004339120e+01   9.62284272858813e+00 
+         203    1.00172741972246e+01   9.63964899323068e+00 
+         204    1.00189052021826e+01   9.66786718571673e+00 
+         205    1.00199887119842e+01   9.70521202056400e+00 
+         206    1.00201070660155e+01   9.74782380666112e+00 
+         207    1.00189089093749e+01   9.79114913038349e+00 
+         208    1.00162005540278e+01   9.83091553260188e+00 
+         209    1.00120316562035e+01   9.86409994884863e+00 
+         210    1.00067394529596e+01   9.88955328455197e+00 
+         211    1.00009200584653e+01   9.90798080826055e+00 
+         212    9.99531475905311e+00   9.92127385542524e+00 
+         213    9.99063400342297e+00   9.93157198661852e+00 
+         214    9.98737188807678e+00   9.94051482696048e+00 
+         215    9.98567127567181e+00   9.94885527957784e+00 
+         216    9.98528704043382e+00   9.95646746111755e+00 
+         217    9.98565832937415e+00   9.96275739929720e+00 
+         218    9.98606724184677e+00   9.96730423246689e+00 
+         219    9.98583582550472e+00   9.97036378703713e+00 
+         220    9.98451001643477e+00   9.97292736129215e+00 
+         221    9.98198434901656e+00   9.97627439806637e+00 
+         222    9.97853678731273e+00   9.98127100659218e+00 
+         223    9.97475984191141e+00   9.98785371236258e+00 
+         224    9.97140286510626e+00   9.99492286335624e+00 
+         225    9.96917137580259e+00   1.00005443231922e+01 
+         226    9.96854523900174e+00   1.00023222923235e+01 
+         227    9.96967375964547e+00   9.99790273206806e+00 
+         228    9.97237636771905e+00   9.98555960216881e+00 
+         229    9.97624253505807e+00   9.96473792067690e+00 
+         230    9.98078777310055e+00   9.93636511602182e+00 
+         231    9.98560846780419e+00   9.90275990393703e+00 
+         232    9.99048787217569e+00   9.86710855077386e+00 
+         233    9.99543040822038e+00   9.83269539984149e+00 
+         234    1.00006246021103e+01   9.80221208335553e+00 
+         235    1.00063530848982e+01   9.77738136586701e+00 
+         236    1.00128741709083e+01   9.75887400813685e+00 
+         237    1.00203106975850e+01   9.74632163179798e+00 
+         238    1.00285805371730e+01   9.73844350416337e+00 
+         239    1.00373945897865e+01   9.73349215182819e+00 
+         240    1.00463194539327e+01   9.72980720779576e+00 
+         241    1.00548770491533e+01   9.72611599020063e+00 
+         242    1.00626421174965e+01   9.72152572108181e+00 
+         243    1.00693109823863e+01   9.71531423107737e+00 
+         244    1.00747300690509e+01   9.70668632474813e+00 
+         245    1.00788811512303e+01   9.69472082245661e+00 
+         246    1.00818281591535e+01   9.67872530149764e+00 
+         247    1.00836382918008e+01   9.65899116363609e+00 
+         248    1.00843077585461e+01   9.63702967428387e+00 
+         249    1.00837304601058e+01   9.61431312359133e+00 
+         250    1.00817369874724e+01   9.59193249256670e+00 
+         251    1.00781951382998e+01   9.57162234547176e+00 
+         252    1.00731274409141e+01   9.55557274350384e+00 
+         253    1.00667870632608e+01   9.54560001126946e+00 
+         254    1.00596598859158e+01   9.54253147668434e+00 
+         255    1.00523956909045e+01   9.54593692832520e+00 
+         256    1.00457028282132e+01   9.55423082330650e+00 
+         257    1.00402418669526e+01   9.56514761944992e+00 
+         258    1.00365397691695e+01   9.57641296971103e+00 
+         259    1.00349276270394e+01   9.58620624196598e+00 
+         260    1.00355019919770e+01   9.59332346959128e+00 
+         261    1.00381137097146e+01   9.59732188686984e+00 
+         262    1.00423905760179e+01   9.59837618250971e+00 
+         263    1.00477959188736e+01   9.59679324477687e+00 
+         264    1.00537068007149e+01   9.59269523141530e+00 
+         265    1.00594937260641e+01   9.58610120816249e+00 
+         266    1.00645870781682e+01   9.57722117048002e+00 
+         267    1.00685316571224e+01   9.56668493985151e+00 
+         268    1.00710357823615e+01   9.55556251047062e+00 
+         269    1.00720144042107e+01   9.54520978473172e+00 
+         270    1.00716144493745e+01   9.53703781183182e+00 
+         271    1.00701992199135e+01   9.53227489206590e+00 
+         272    1.00682808706064e+01   9.53173333554826e+00 
+         273    1.00663988075209e+01   9.53554943194497e+00 
+         274    1.00649733063520e+01   9.54299862049767e+00 
+         275    1.00641836485840e+01   9.55262143610080e+00 
+         276    1.00639178664285e+01   9.56271517955029e+00 
+         277    1.00638153921535e+01   9.57192148747872e+00 
+         278    1.00633853985923e+01   9.57957875475062e+00 
+         279    1.00621626720543e+01   9.58572327394556e+00 
+         280    1.00598570838615e+01   9.59085686511578e+00 
+         281    1.00564566071967e+01   9.59567423393283e+00 
+         282    1.00522576614697e+01   9.60085550637412e+00 
+         283    1.00478091897332e+01   9.60690040068280e+00 
+         284    1.00437767664032e+01   9.61396708331890e+00 
+         285    1.00407546813490e+01   9.62178118810825e+00 
+         286    1.00390773261870e+01   9.62975547860500e+00 
+         287    1.00386906040191e+01   9.63733595704590e+00 
+         288    1.00391292740982e+01   9.64435229335154e+00 
+         289    1.00396077171765e+01   9.65114124926381e+00 
+         290    1.00391967746350e+01   9.65843904962787e+00 
+         291    1.00370409303829e+01   9.66713735495098e+00 
+         292    1.00325613495850e+01   9.67798035621834e+00 
+         293    1.00255913568518e+01   9.69130440474672e+00 
+         294    1.00164044158125e+01   9.70689841022156e+00 
+         295    1.00056261321876e+01   9.72399810930261e+00 
+         296    9.99406221883501e+00   9.74140402524052e+00 
+         297    9.98250803362175e+00   9.75776438941627e+00 
+         298    9.97160202027972e+00   9.77203069297329e+00 
+         299    9.96175637151037e+00   9.78379375044905e+00 
+         300    9.95315918568411e+00   9.79318883680258e+00 
diff --git a/examples/USER/colvars/peptide2.colvars.state b/examples/USER/colvars/peptide2.colvars.state
index cfb7c49930..5272bb7c4a 100644
--- a/examples/USER/colvars/peptide2.colvars.state
+++ b/examples/USER/colvars/peptide2.colvars.state
@@ -1,17 +1,18 @@
 configuration {
   step          100
   dt 2.000000e+00
+  version 2018-11-16
 }
 
 colvar {
   name one
-  x  1.00387424212228e+01
+  x  1.00387423506482e+01
 }
 
-harmonic {
+restraint {
   configuration {
+    step 100
     name h_pot
-    stage 4044288781530052640
   }
 }
 
diff --git a/examples/USER/colvars/peptide2.colvars.traj b/examples/USER/colvars/peptide2.colvars.traj
index 2c4bf7ad54..0d8931bda7 100644
--- a/examples/USER/colvars/peptide2.colvars.traj
+++ b/examples/USER/colvars/peptide2.colvars.traj
@@ -1,102 +1,102 @@
-# step         one                  
-           0    1.23398428397332e+01
-           1    1.23379000531837e+01
-           2    1.22833752132682e+01
-           3    1.21783464524822e+01
-           4    1.20268109152646e+01
-           5    1.18342676552027e+01
-           6    1.16071240696111e+01
-           7    1.13522568477758e+01
-           8    1.10769760454451e+01
-           9    1.07892333501017e+01
-          10    1.04978607983300e+01
-          11    1.02148368912480e+01
-          12    9.95820967758655e+00
-          13    9.74528082635713e+00
-          14    9.59065550809125e+00
-          15    9.49025917553263e+00
-          16    9.43254360388750e+00
-          17    9.41011962734900e+00
-          18    9.41602364253240e+00
-          19    9.44413444723206e+00
-          20    9.49001191595699e+00
-          21    9.55036186844267e+00
-          22    9.62258413071055e+00
-          23    9.70460340526413e+00
-          24    9.79475248209609e+00
-          25    9.89135077720185e+00
-          26    9.99213105078110e+00
-          27    1.00938499722663e+01
-          28    1.01925349210626e+01
-          29    1.02845107805173e+01
-          30    1.03676652352347e+01
-          31    1.04416367894860e+01
-          32    1.05071334937552e+01
-          33    1.05650452299048e+01
-          34    1.06158824214188e+01
-          35    1.06595186275218e+01
-          36    1.06948928511102e+01
-          37    1.07202580715959e+01
-          38    1.07337399401028e+01
-          39    1.07331885445159e+01
-          40    1.07158932314825e+01
-          41    1.06789136129953e+01
-          42    1.06198862520319e+01
-          43    1.05380120055201e+01
-          44    1.04346603936480e+01
-          45    1.03132931131809e+01
-          46    1.01792839195940e+01
-          47    1.00398967921774e+01
-          48    9.90373826474332e+00
-          49    9.77934819842326e+00
-          50    9.67344128626180e+00
-          51    9.58957431460176e+00
-          52    9.52771755964755e+00
-          53    9.48463676001684e+00
-          54    9.45495927636316e+00
-          55    9.43277262066999e+00
-          56    9.41329687195946e+00
-          57    9.39418023785890e+00
-          58    9.37608079167942e+00
-          59    9.36244026161597e+00
-          60    9.35853356967195e+00
-          61    9.36993825765332e+00
-          62    9.40084295384763e+00
-          63    9.45286334548428e+00
-          64    9.52464492798022e+00
-          65    9.61230778865749e+00
-          66    9.71074173620872e+00
-          67    9.81506921139973e+00
-          68    9.92117599348263e+00
-          69    1.00244217575122e+01
-          70    1.01178260477346e+01
-          71    1.01986938379172e+01
-          72    1.02670956368544e+01
-          73    1.03213051063305e+01
-          74    1.03597191337854e+01
-          75    1.03817745676591e+01
-          76    1.03880610583944e+01
-          77    1.03809103738027e+01
-          78    1.03645558156884e+01
-          79    1.03441497701913e+01
-          80    1.03243653409000e+01
-          81    1.03082112818858e+01
-          82    1.02961296917318e+01
-          83    1.02862106580352e+01
-          84    1.02756069146933e+01
-          85    1.02618115908758e+01
-          86    1.02435132305408e+01
-          87    1.02212121470422e+01
-          88    1.01972799936680e+01
-          89    1.01743931780361e+01
-          90    1.01538342930689e+01
-          91    1.01363020288600e+01
-          92    1.01223080393853e+01
-          93    1.01118050646187e+01
-          94    1.01038513159042e+01
-          95    1.00967020139234e+01
-          96    1.00885782989097e+01
-          97    1.00784257293241e+01
-          98    1.00661428832570e+01
-          99    1.00524912515310e+01
-         100    1.00387424212228e+01
+# step         one                   
+           0    1.23398428397332e+01 
+           1    1.23379000532662e+01 
+           2    1.22833752135957e+01 
+           3    1.21783464514507e+01 
+           4    1.20268109095184e+01 
+           5    1.18342676394048e+01 
+           6    1.16071240372003e+01 
+           7    1.13522567926249e+01 
+           8    1.10769759646337e+01 
+           9    1.07892332454600e+01 
+          10    1.04978606745989e+01 
+          11    1.02148367517604e+01 
+          12    9.95820954052204e+00 
+          13    9.74528077043305e+00 
+          14    9.59065564952749e+00 
+          15    9.49025959957862e+00 
+          16    9.43254431868731e+00 
+          17    9.41012058917623e+00 
+          18    9.41602481112176e+00 
+          19    9.44413580740584e+00 
+          20    9.49001346044027e+00 
+          21    9.55036359015270e+00 
+          22    9.62258602486444e+00 
+          23    9.70460545744668e+00 
+          24    9.79475465622561e+00 
+          25    9.89135302429916e+00 
+          26    9.99213332770717e+00 
+          27    1.00938522423366e+01 
+          28    1.01925371414626e+01 
+          29    1.02845129002944e+01 
+          30    1.03676671987640e+01 
+          31    1.04416385355998e+01 
+          32    1.05071349561950e+01 
+          33    1.05650463398331e+01 
+          34    1.06158831174766e+01 
+          35    1.06595188661313e+01 
+          36    1.06948926085038e+01 
+          37    1.07202573517647e+01 
+          38    1.07337387802787e+01 
+          39    1.07331870068021e+01 
+          40    1.07158913924701e+01 
+          41    1.06789115566470e+01 
+          42    1.06198840652253e+01 
+          43    1.05380097743725e+01 
+          44    1.04346581978275e+01 
+          45    1.03132910149185e+01 
+          46    1.01792819503691e+01 
+          47    1.00398949454818e+01 
+          48    9.90373650268307e+00 
+          49    9.77934647164350e+00 
+          50    9.67343955381284e+00 
+          51    9.58957255517495e+00 
+          52    9.52771577288560e+00 
+          53    9.48463495848957e+00 
+          54    9.45495747488851e+00 
+          55    9.43277083061229e+00 
+          56    9.41329510571902e+00 
+          57    9.39417852043035e+00 
+          58    9.37607916767444e+00 
+          59    9.36243879601093e+00 
+          60    9.35853234890725e+00 
+          61    9.36993739187210e+00 
+          62    9.40084256925489e+00 
+          63    9.45286356660258e+00 
+          64    9.52464585631223e+00 
+          65    9.61230948096192e+00 
+          66    9.71074418990813e+00 
+          67    9.81507236552599e+00 
+          68    9.92117974657176e+00 
+          69    1.00244259961919e+01 
+          70    1.01178306268727e+01 
+          71    1.01986985644537e+01 
+          72    1.02671003889995e+01 
+          73    1.03213098011429e+01 
+          74    1.03597236984298e+01 
+          75    1.03817789163109e+01 
+          76    1.03880650963390e+01 
+          77    1.03809140245635e+01 
+          78    1.03645590344102e+01 
+          79    1.03441525373194e+01 
+          80    1.03243676495902e+01 
+          81    1.03082131278348e+01 
+          82    1.02961310659179e+01 
+          83    1.02862115513553e+01 
+          84    1.02756073299153e+01 
+          85    1.02618115461408e+01 
+          86    1.02435127550163e+01 
+          87    1.02212112849545e+01 
+          88    1.01972788307491e+01 
+          89    1.01743918261207e+01 
+          90    1.01538328424605e+01 
+          91    1.01363005552771e+01 
+          92    1.01223066231827e+01 
+          93    1.01118037967830e+01 
+          94    1.01038502876980e+01 
+          95    1.00967012947728e+01 
+          96    1.00885779123137e+01 
+          97    1.00784256309007e+01 
+          98    1.00661429612272e+01 
+          99    1.00524913461711e+01 
+         100    1.00387423506482e+01 

From d802817ccad57f755c8cde20bcd39b62c6cea3f5 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 7 Dec 2018 10:39:10 +0000
Subject: [PATCH 253/273] Small changes to the documentation for building and
 using PLUMED

---
 doc/src/Build_extras.txt | 65 +++++++++++++++++++++-------------------
 doc/src/fix_plumed.txt   |  6 ++--
 2 files changed, 37 insertions(+), 34 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index fb2fe95341..c35418ae5f 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -735,28 +735,31 @@ from LAMMPS using the generic "plumed installation instructions"_plumedinstall.
 :link(plumedinstall,http://plumed.github.io/doc-master/user-doc/html/_installation.html)
 
 PLUMED can be linked into MD codes in three different modes: static,
-shared, and runtime.  With the "static" mode, all required PLUMED code
-is linked statically into the MD code. The MD code is then fully
-independent from the PLUMED installation, but also you have to
-rebuild/relink the MD code to update the PLUMED code inside it.  With
-"shared" linkage mode, the MD code is linked to a shared library
-containing the PLUMED code, preferably after it was installed in a
-globally accessible location. This way the same installed PLUMED code
-can be shared across multiple MD packages and can be updated, for as
-long as the shared PLUMED library is ABI-compatible. The third linkage
-mode is "runtime" which allows to switch the PLUMED kernel at runtime
-between different variants through setting the PLUMED_KERNEL environment
-variable, which has to point to the location of the libplumedKernel.so
-dynamical shared object, which is then loaded at runtime. This is
+shared, and runtime.  With the "static" mode, all the code that PLUMED requires
+is linked statically into LAMMPS. LAMMPS is then fully
+independent from the PLUMED installation, but you have to
+rebuild/relink it in order to update the PLUMED code inside it.  With
+the "shared" linkage mode, LAMMPS is linked to a shared library
+that contains the PLUMED code.  This library should preferably be installed in a
+globally accessible location. When PLUMED is linked in this way the same library
+can be used by multiple MD packages.  Furthermore, the PLUMED library LAMMPS uses can be updated
+without the need for a recompile of LAMMPS for as
+long as the shared PLUMED library is ABI-compatible. 
+
+The third linkage
+mode is "runtime" which allows the user to specify which PLUMED kernel should be used at runtime
+by using the PLUMED_KERNEL environment
+variable. This variable should point to the location of the libplumedKernel.so
+dynamical shared object, which is then loaded at runtime. This mode of linking is
 particularly convenient for doing PLUMED development and comparing
-multiple PLUMED versions without having to recompile the hosting MD
+multiple PLUMED versions as these sorts of comparisons can be done without recompiling the hosting MD
 code. All three linkage modes are supported by LAMMPS on selected
 operating systems (e.g. Linux) and using either CMake or traditional
-make build. The "static" mode should be most portable, the "runtime"
+make build. The "static" mode should be the most portable, while the "runtime"
 mode support in LAMMPS makes the most assumptions about operating
 system and compiler environment. If one mode does not work, try a
-different one, or switch to a different build system, or consider
-a global PLUMED installation or downloading it during building LAMMPS.
+different one, switch to a different build system, consider
+a global PLUMED installation or consider downloading PLUMED during the LAMMPS build.
 
 [CMake build]:
 
@@ -764,25 +767,25 @@ a global PLUMED installation or downloading it during building LAMMPS.
 -D PLUMED_MODE=value       # Linkage mode for PLUMED, value = static (default), shared, or runtime :pre
 
 If DOWNLOAD_PLUMED is set to "yes", the PLUMED library will be
-downloaded (the version of that is hard-coded to a vetted version of
+downloaded (the version of PLUMED that will be downloaded is hard-coded to a vetted version of
 PLUMED, usually a recent stable release version) and built inside the
 CMake build directory.  If DOWNLOAD_PLUMED is set to "no" (the default),
-CMake will try to detect an installed version of PLUMED and link to
-that. For this to work, the PLUMED library has to be installed into a
+CMake will try to detect and link to an installed version of PLUMED. 
+For this to work, the PLUMED library has to be installed into a
 location where the pkg-config tool can find it or the PKG_CONFIG_PATH
-environment variable has to be set up accordingly.
+environment variable has to be set up accordingly.  PLUMED should be installed 
+in such a location if you compile it using the default make; make install commands.
 
-The PLUMED_MODE setting determines the linkage mode of the PLUMED
-library.  Allowed values are "static" (default), "shared", or "runtime".
+The PLUMED_MODE setting determines the linkage mode for the PLUMED
+library.  The allowed values for this flag are "static" (default), "shared", or "runtime".
 For a discussion of PLUMED linkage modes, please see above.  When
-enabling DOWNLOAD_PLUMED, the static linkage mode is recommended.
+DOWNLOAD_PLUMED is enabled the static linkage mode is recommended.
 
 [Traditional make]:
 
-Before installing the USER-PLUMED package, first the PLUMED library
-needs to be configured so that LAMMPS can find the right settings when
-compiling and linking the LAMMPS executable itself. You can either
-download and build PLUMED inside the LAMMPS plumed library folder or use
+PLUMED needs to be installed before the USER-PLUMED package is installed
+so that LAMMPS can find the right settings when compiling and linking the LAMMPS executable.
+You can either download and build PLUMED inside the LAMMPS plumed library folder or use
 a previously installed PLUMED library and point LAMMPS to its
 location. You also have to choose the linkage mode: "static" (default),
 "shared" or "runtime".  For a discussion of PLUMED linkage modes, please
@@ -799,9 +802,9 @@ make lib-plumed args="-p /usr/local -m shared"  # use existing PLUMED installati
 :pre
 
 Note that 2 symbolic (soft) links, "includelink" and "liblink" are
-created in lib/plumed to point into the location of the PLUMED build to
-use and also a new file lib/plumed/Makefile.lammps is created with
-settings suitable for LAMMPS to compile and link PLUMED in the desired
+created in lib/plumed that point to the location of the PLUMED build to
+use. A new file lib/plumed/Makefile.lammps is also created with
+settings suitable for LAMMPS to compile and link PLUMED using the desired
 linkage mode. After this step is completed, you can install the
 USER-PLUMED package and compile LAMMPS in the usual manner:
 
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index 30e8b2766c..1f548d11ea 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -32,7 +32,7 @@ enhance the sampling of phase space.
 
 The documentation included here only describes the fix plumed command
 itself.  This command is LAMMPS specific, whereas most of the
-functionality implemented in PLUMED, however, will work with a range of
+functionality implemented in PLUMED will work with a range of
 MD codes, and when PLUMED is used as a stand alone code for analysis.
 The full "documentation for PLUMED"_plumeddocs is available online and
 included in the PLUMED source code.  The PLUMED library development is
@@ -54,8 +54,8 @@ have been set.
 
 The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
 to PLUMED and there can only be one instance of the plumed fix at a
-time. The plumed fix communicates the minimum amount of information
-required and the PLUMED supports multiple, completely independent
+time. The way the plumed fix is implmented ensures that the minimum amount of information
+required is communicated.  Furthremore, PLUMED supports multiple, completely independent
 collective variables, multiple independent biases and multiple
 independent forms of analysis.  There is thus really no restriction in
 functionality by only allowing only one plumed fix in the LAMMPS input.

From 20eca799b17c213475b927c9ddcb44b3cb275fd1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 05:50:39 -0500
Subject: [PATCH 254/273] update log files for USER-DIFFRACTION package

---
 .../USER/diffraction/{BulkNi.in => in.BulkNi} |  3 +-
 .../USER/diffraction/log.27Nov18.BulkNi.g++.1 | 72 +++++++++++++++++++
 .../USER/diffraction/log.27Nov18.BulkNi.g++.4 | 72 +++++++++++++++++++
 3 files changed, 145 insertions(+), 2 deletions(-)
 rename examples/USER/diffraction/{BulkNi.in => in.BulkNi} (92%)
 create mode 100644 examples/USER/diffraction/log.27Nov18.BulkNi.g++.1
 create mode 100644 examples/USER/diffraction/log.27Nov18.BulkNi.g++.4

diff --git a/examples/USER/diffraction/BulkNi.in b/examples/USER/diffraction/in.BulkNi
similarity index 92%
rename from examples/USER/diffraction/BulkNi.in
rename to examples/USER/diffraction/in.BulkNi
index 8315e57750..ab82986f50 100644
--- a/examples/USER/diffraction/BulkNi.in
+++ b/examples/USER/diffraction/in.BulkNi
@@ -1,5 +1,4 @@
 variable  A string bulkNi
-log		$A.log
 
 boundary        p p p
 
@@ -26,7 +25,7 @@ fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2] &
 
 fix             2 all saed/vtk 1 1 1 c_SAED file $A_001.saed 
 
-dump            1 all custom 1 $A.dump id x y z 
+#dump            1 all custom 1 $A.dump id x y z 
 run             0
 
 unfix           1
diff --git a/examples/USER/diffraction/log.27Nov18.BulkNi.g++.1 b/examples/USER/diffraction/log.27Nov18.BulkNi.g++.1
new file mode 100644
index 0000000000..d716f827e0
--- /dev/null
+++ b/examples/USER/diffraction/log.27Nov18.BulkNi.g++.1
@@ -0,0 +1,72 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable  A string bulkNi
+
+boundary        p p p
+
+units		metal
+timestep	0.001
+
+lattice         fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region          box block 0 20 0 20 0 20
+create_box      1 box
+Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
+  1 by 1 by 1 MPI processor grid
+create_atoms    1 box
+Created 32000 atoms
+  Time spent = 0.0037179 secs
+
+pair_style      none
+mass            * 58.71
+atom_modify     sort 0 0
+
+compute         XRD all xrd  1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo
+
+compute         SAED all saed 0.0251  Ni Kmax 0.85                 Zone 0 0 0 c 0.025 0.025 0.025                 dR_Ewald 0.01 echo manual
+
+fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file $A.hist.xrd
+fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file bulkNi.hist.xrd
+
+fix             2 all saed/vtk 1 1 1 c_SAED file $A_001.saed
+fix             2 all saed/vtk 1 1 1 c_SAED file bulkNi_001.saed
+
+#dump            1 all custom 1 $A.dump id x y z
+run             0
+Per MPI rank memory allocation (min/avg/max) = 21.91 | 21.91 | 21.91 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0            0            0            0            0 
+Loop time of 9.53674e-07 on 1 procs for 0 steps with 32000 atoms
+
+314.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0          | 0          | 0          |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0          | 0          | 0          |   0.0 |  0.00
+Output  | 0          | 0          | 0          |   0.0 |  0.00
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 9.537e-07  |            |       |100.00
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    2461 ave 2461 max 2461 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 0
+Ave neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+unfix           1
+unfix           2
+uncompute       XRD
+uncompute       SAED
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:03:30
diff --git a/examples/USER/diffraction/log.27Nov18.BulkNi.g++.4 b/examples/USER/diffraction/log.27Nov18.BulkNi.g++.4
new file mode 100644
index 0000000000..04761a1e06
--- /dev/null
+++ b/examples/USER/diffraction/log.27Nov18.BulkNi.g++.4
@@ -0,0 +1,72 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+variable  A string bulkNi
+
+boundary        p p p
+
+units		metal
+timestep	0.001
+
+lattice         fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region          box block 0 20 0 20 0 20
+create_box      1 box
+Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
+  1 by 2 by 2 MPI processor grid
+create_atoms    1 box
+Created 32000 atoms
+  Time spent = 0.0010488 secs
+
+pair_style      none
+mass            * 58.71
+atom_modify     sort 0 0
+
+compute         XRD all xrd  1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo
+
+compute         SAED all saed 0.0251  Ni Kmax 0.85                 Zone 0 0 0 c 0.025 0.025 0.025                 dR_Ewald 0.01 echo manual
+
+fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file $A.hist.xrd
+fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2]                 mode vector file bulkNi.hist.xrd
+
+fix             2 all saed/vtk 1 1 1 c_SAED file $A_001.saed
+fix             2 all saed/vtk 1 1 1 c_SAED file bulkNi_001.saed
+
+#dump            1 all custom 1 $A.dump id x y z
+run             0
+Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0            0            0            0            0 
+Loop time of 1.84774e-06 on 4 procs for 0 steps with 32000 atoms
+
+162.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0          | 0          | 0          |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0          | 0          | 0          |   0.0 |  0.00
+Output  | 0          | 0          | 0          |   0.0 |  0.00
+Modify  | 0          | 0          | 0          |   0.0 |  0.00
+Other   |            | 1.848e-06  |            |       |100.00
+
+Nlocal:    8000 ave 8000 max 8000 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Nghost:    1041 ave 1041 max 1041 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 0
+Ave neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+
+unfix           1
+unfix           2
+uncompute       XRD
+uncompute       SAED
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:54

From f8da830c073a2f95d4b8d51abd3d9a2d65e0a630 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 05:51:02 -0500
Subject: [PATCH 255/273] fix new[]/delete mismatches and a memory leak in
 USER-DIFFRACTION package

---
 src/USER-DIFFRACTION/compute_saed.cpp | 2 +-
 src/USER-DIFFRACTION/compute_xrd.cpp  | 2 +-
 src/USER-DIFFRACTION/fix_saed_vtk.cpp | 2 ++
 3 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/USER-DIFFRACTION/compute_saed.cpp b/src/USER-DIFFRACTION/compute_saed.cpp
index 3d09955275..dcafe57ba8 100644
--- a/src/USER-DIFFRACTION/compute_saed.cpp
+++ b/src/USER-DIFFRACTION/compute_saed.cpp
@@ -281,7 +281,7 @@ ComputeSAED::~ComputeSAED()
 {
   memory->destroy(vector);
   memory->destroy(store_tmp);
-  delete ztype;
+  delete[] ztype;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-DIFFRACTION/compute_xrd.cpp b/src/USER-DIFFRACTION/compute_xrd.cpp
index 4d5cccdc50..d6b7549272 100644
--- a/src/USER-DIFFRACTION/compute_xrd.cpp
+++ b/src/USER-DIFFRACTION/compute_xrd.cpp
@@ -247,7 +247,7 @@ ComputeXRD::~ComputeXRD()
 {
   memory->destroy(array);
   memory->destroy(store_tmp);
-  delete ztype;
+  delete[] ztype;
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.cpp b/src/USER-DIFFRACTION/fix_saed_vtk.cpp
index 882c13bc3e..4d9af66818 100644
--- a/src/USER-DIFFRACTION/fix_saed_vtk.cpp
+++ b/src/USER-DIFFRACTION/fix_saed_vtk.cpp
@@ -287,6 +287,8 @@ FixSAEDVTK::FixSAEDVTK(LAMMPS *lmp, int narg, char **arg) :
 FixSAEDVTK::~FixSAEDVTK()
 {
   delete [] extlist;
+  delete [] filename;
+  delete [] ids;
   memory->destroy(vector);
   memory->destroy(vector_total);
   if (fp && me == 0) fclose(fp);

From e61b553bb3e372071ddfe09b6cd07f66a882678a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 05:54:02 -0500
Subject: [PATCH 256/273] update USER-MOFF log files

---
 ...n18.hkust1.g++.1 => log.27Nov18.hkust1.g++.1} | 10 ++++++----
 ...n18.hkust1.g++.4 => log.27Nov18.hkust1.g++.4} | 14 ++++++++------
 ..._long.g++.1 => log.27Nov18.hkust1_long.g++.1} | 16 +++++++++-------
 ..._long.g++.4 => log.27Nov18.hkust1_long.g++.4} | 16 +++++++++-------
 4 files changed, 32 insertions(+), 24 deletions(-)
 rename examples/USER/mofff/{log.17Jan18.hkust1.g++.1 => log.27Nov18.hkust1.g++.1} (97%)
 rename examples/USER/mofff/{log.17Jan18.hkust1.g++.4 => log.27Nov18.hkust1.g++.4} (96%)
 rename examples/USER/mofff/{log.17Jan18.hkust1_long.g++.1 => log.27Nov18.hkust1_long.g++.1} (96%)
 rename examples/USER/mofff/{log.17Jan18.hkust1_long.g++.4 => log.27Nov18.hkust1_long.g++.4} (96%)

diff --git a/examples/USER/mofff/log.17Jan18.hkust1.g++.1 b/examples/USER/mofff/log.27Nov18.hkust1.g++.1
similarity index 97%
rename from examples/USER/mofff/log.17Jan18.hkust1.g++.1
rename to examples/USER/mofff/log.27Nov18.hkust1.g++.1
index 13074b5054..49fb746116 100644
--- a/examples/USER/mofff/log.17Jan18.hkust1.g++.1
+++ b/examples/USER/mofff/log.27Nov18.hkust1.g++.1
@@ -1,5 +1,7 @@
-LAMMPS (17 Jan 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 clear
+  using 1 OpenMP thread(s) per MPI task
 units real
 boundary p p p
 atom_style full
@@ -119,7 +121,7 @@ special_bonds lj 0.0 0.0 1.0 coul 1.0 1.0 1.0
 # ------------------------ MOF-FF FORCE FIELD END --------------------------
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -132,13 +134,13 @@ Neighbor list info ...
       pair build: half/bin/newton/tri
       stencil: half/bin/3d/newton/tri
       bin: standard
-WARNING: Inconsistent image flags (../domain.cpp:786)
+WARNING: Inconsistent image flags (src/domain.cpp:782)
 Per MPI rank memory allocation (min/avg/max) = 21.23 | 21.23 | 21.23 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0    -11833.81     343.7619   -11490.048   -5.8508834 
 Loop time of 9.53674e-07 on 1 procs for 0 steps with 624 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+314.6% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
diff --git a/examples/USER/mofff/log.17Jan18.hkust1.g++.4 b/examples/USER/mofff/log.27Nov18.hkust1.g++.4
similarity index 96%
rename from examples/USER/mofff/log.17Jan18.hkust1.g++.4
rename to examples/USER/mofff/log.27Nov18.hkust1.g++.4
index bba6ff5c2e..832bdfea94 100644
--- a/examples/USER/mofff/log.17Jan18.hkust1.g++.4
+++ b/examples/USER/mofff/log.27Nov18.hkust1.g++.4
@@ -1,5 +1,7 @@
-LAMMPS (17 Jan 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 clear
+  using 1 OpenMP thread(s) per MPI task
 units real
 boundary p p p
 atom_style full
@@ -119,7 +121,7 @@ special_bonds lj 0.0 0.0 1.0 coul 1.0 1.0 1.0
 # ------------------------ MOF-FF FORCE FIELD END --------------------------
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Neighbor list info ...
   update every 1 steps, delay 10 steps, check yes
   max neighbors/atom: 2000, page size: 100000
@@ -132,13 +134,13 @@ Neighbor list info ...
       pair build: half/bin/newton/tri
       stencil: half/bin/3d/newton/tri
       bin: standard
-WARNING: Inconsistent image flags (../domain.cpp:786)
+WARNING: Inconsistent image flags (src/domain.cpp:782)
 Per MPI rank memory allocation (min/avg/max) = 20.68 | 20.68 | 20.68 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0    -11833.81     343.7619   -11490.048   -5.8508834 
-Loop time of 2.20537e-06 on 4 procs for 0 steps with 624 atoms
+Loop time of 2.01464e-05 on 4 procs for 0 steps with 624 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+86.9% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -149,7 +151,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 2.205e-06  |            |       |100.00
+Other   |            | 2.015e-05  |            |       |100.00
 
 Nlocal:    156 ave 156 max 156 min
 Histogram: 4 0 0 0 0 0 0 0 0 0
diff --git a/examples/USER/mofff/log.17Jan18.hkust1_long.g++.1 b/examples/USER/mofff/log.27Nov18.hkust1_long.g++.1
similarity index 96%
rename from examples/USER/mofff/log.17Jan18.hkust1_long.g++.1
rename to examples/USER/mofff/log.27Nov18.hkust1_long.g++.1
index 8f5d33c067..d67c0a11c5 100644
--- a/examples/USER/mofff/log.17Jan18.hkust1_long.g++.1
+++ b/examples/USER/mofff/log.27Nov18.hkust1_long.g++.1
@@ -1,5 +1,7 @@
-LAMMPS (17 Jan 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 clear
+  using 1 OpenMP thread(s) per MPI task
 units real
 boundary p p p
 atom_style full
@@ -120,9 +122,9 @@ special_bonds lj 0.0 0.0 1.0 coul 1.0 1.0 1.0
 # ------------------------ MOF-FF FORCE FIELD END --------------------------
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.267593
   estimated absolute RMS force accuracy = 0.000333665
   estimated relative force accuracy = 1.00482e-06
@@ -140,13 +142,13 @@ Neighbor list info ...
       pair build: half/bin/newton/tri
       stencil: half/bin/3d/newton/tri
       bin: standard
-WARNING: Inconsistent image flags (../domain.cpp:786)
+WARNING: Inconsistent image flags (src/domain.cpp:782)
 Per MPI rank memory allocation (min/avg/max) = 34.64 | 34.64 | 34.64 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0   -16541.109     343.7619   -16197.347   -629.64956 
-Loop time of 9.53674e-07 on 1 procs for 0 steps with 624 atoms
+Loop time of 1.19209e-06 on 1 procs for 0 steps with 624 atoms
 
-0.0% CPU use with 1 MPI tasks x no OpenMP threads
+167.8% CPU use with 1 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -158,7 +160,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 9.537e-07  |            |       |100.00
+Other   |            | 1.192e-06  |            |       |100.00
 
 Nlocal:    624 ave 624 max 624 min
 Histogram: 1 0 0 0 0 0 0 0 0 0
diff --git a/examples/USER/mofff/log.17Jan18.hkust1_long.g++.4 b/examples/USER/mofff/log.27Nov18.hkust1_long.g++.4
similarity index 96%
rename from examples/USER/mofff/log.17Jan18.hkust1_long.g++.4
rename to examples/USER/mofff/log.27Nov18.hkust1_long.g++.4
index 8201f7da00..235db2fcda 100644
--- a/examples/USER/mofff/log.17Jan18.hkust1_long.g++.4
+++ b/examples/USER/mofff/log.27Nov18.hkust1_long.g++.4
@@ -1,5 +1,7 @@
-LAMMPS (17 Jan 2018)
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
 clear
+  using 1 OpenMP thread(s) per MPI task
 units real
 boundary p p p
 atom_style full
@@ -120,9 +122,9 @@ special_bonds lj 0.0 0.0 1.0 coul 1.0 1.0 1.0
 # ------------------------ MOF-FF FORCE FIELD END --------------------------
 
 run 0
-WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
+WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
 Ewald initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
   G vector (1/distance) = 0.267593
   estimated absolute RMS force accuracy = 0.000333665
   estimated relative force accuracy = 1.00482e-06
@@ -140,13 +142,13 @@ Neighbor list info ...
       pair build: half/bin/newton/tri
       stencil: half/bin/3d/newton/tri
       bin: standard
-WARNING: Inconsistent image flags (../domain.cpp:786)
+WARNING: Inconsistent image flags (src/domain.cpp:782)
 Per MPI rank memory allocation (min/avg/max) = 34.1 | 34.1 | 34.1 Mbytes
 Step Temp E_pair E_mol TotEng Press 
        0            0   -16541.109     343.7619   -16197.347   -629.64956 
-Loop time of 6.13928e-06 on 4 procs for 0 steps with 624 atoms
+Loop time of 2.71797e-05 on 4 procs for 0 steps with 624 atoms
 
-0.0% CPU use with 4 MPI tasks x no OpenMP threads
+84.6% CPU use with 4 MPI tasks x 1 OpenMP threads
 
 MPI task timing breakdown:
 Section |  min time  |  avg time  |  max time  |%varavg| %total
@@ -158,7 +160,7 @@ Neigh   | 0          | 0          | 0          |   0.0 |  0.00
 Comm    | 0          | 0          | 0          |   0.0 |  0.00
 Output  | 0          | 0          | 0          |   0.0 |  0.00
 Modify  | 0          | 0          | 0          |   0.0 |  0.00
-Other   |            | 6.139e-06  |            |       |100.00
+Other   |            | 2.718e-05  |            |       |100.00
 
 Nlocal:    156 ave 156 max 156 min
 Histogram: 4 0 0 0 0 0 0 0 0 0

From ee98dc0b9630e5098e610ee90b30c0aa838bb06f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 06:11:30 -0500
Subject: [PATCH 257/273] step version number to 7 December 2018

---
 doc/src/Manual.txt | 4 ++--
 src/version.h      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index d6202f684a..6fcd5d1f49 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="27 Nov 2018 version">
+<META NAME="docnumber" CONTENT="7 Dec 2018 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-27 Nov 2018 version :c,h2
+7 Dec 2018 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/src/version.h b/src/version.h
index d907ef2b85..4bbc739421 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "27 Nov 2018"
+#define LAMMPS_VERSION "7 Dec 2018"

From 0244841b27be674e602f7db858d5a7c75a43a0d9 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 06:15:03 -0500
Subject: [PATCH 258/273] auto-request a review from @sjplimp when the LAMMPS
 version is updated

---
 .github/CODEOWNERS | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS
index 7aab6bef92..7d1f1a417b 100644
--- a/.github/CODEOWNERS
+++ b/.github/CODEOWNERS
@@ -126,3 +126,6 @@ python/*              @rbberger
 doc/utils/*/*         @rbberger
 doc/Makefile          @rbberger
 doc/README            @rbberger
+
+# for releases
+src/version.h         @sjplimp

From 4a4dbc7da5e728efaf3d5a2c84d568be81512e7d Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 7 Dec 2018 12:49:00 +0000
Subject: [PATCH 259/273] Added further instructions on building of
 PLUMED+LAMMPS

---
 doc/src/Build_extras.txt | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index c35418ae5f..9841acd1f6 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -763,6 +763,11 @@ a global PLUMED installation or consider downloading PLUMED during the LAMMPS bu
 
 [CMake build]:
 
+When the "-D PKG_USER-PLUMED" flag is included in the cmake command you must ensure that 
+gsl, blas and lapack are installed in locations that are specified in your environment.  There
+are then two additional commands that control the manner in which PLUMED is obtained and linked
+into LAMMPS.
+
 -D DOWNLOAD_PLUMED=value   # download PLUMED for build, value = no (default) or yes
 -D PLUMED_MODE=value       # Linkage mode for PLUMED, value = static (default), shared, or runtime :pre
 

From a30e1b2670fe6a3af5e441807612cfea21e2160b Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Fri, 7 Dec 2018 06:10:29 -0700
Subject: [PATCH 260/273] cmake: USER-PLUMED does not LAPACK anymore

---
 cmake/CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index aa42ed9a87..7ee1b7f521 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -354,7 +354,7 @@ if(PKG_KSPACE)
   endif()
 endif()
 
-if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE OR PKG_USER-PLUMED)
+if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
   find_package(LAPACK)
   find_package(BLAS)
   if(NOT LAPACK_FOUND OR NOT BLAS_FOUND)
@@ -569,7 +569,7 @@ if(PKG_USER-PLUMED)
     if(PLUMED_MODE STREQUAL "STATIC")
       add_definitions(-D__PLUMED_WRAPPER_CXX=1)
       list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/plumed/obj/kernel.o
-        "${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o" ${GSL_LIBRARIES} ${CMAKE_DL_LIBS} ${LAPACK_LIBRARIES})
+        "${PLUMED_INSTALL_DIR}/lib/plumed/obj/PlumedStatic.o" ${GSL_LIBRARIES} ${CMAKE_DL_LIBS})
     elseif(PLUMED_MODE STREQUAL "SHARED")
       list(APPEND LAMMPS_LINK_LIBS ${PLUMED_INSTALL_DIR}/lib/libplumed.so ${CMAKE_DL_LIBS})
     elseif(PLUMED_MODE STREQUAL "RUNTIME")

From 1bd81db9b3f569ca498a17586293ab0e1e8de9aa Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 7 Dec 2018 15:15:35 +0000
Subject: [PATCH 261/273] Fixed spelling mistakes

---
 doc/src/Build_extras.txt | 2 +-
 doc/src/fix_plumed.txt   | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 9841acd1f6..273b6b11df 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -764,7 +764,7 @@ a global PLUMED installation or consider downloading PLUMED during the LAMMPS bu
 [CMake build]:
 
 When the "-D PKG_USER-PLUMED" flag is included in the cmake command you must ensure that 
-gsl, blas and lapack are installed in locations that are specified in your environment.  There
+GSL, BLAS and LAPACK are installed in locations that are specified in your environment.  There
 are then two additional commands that control the manner in which PLUMED is obtained and linked
 into LAMMPS.
 
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index 1f548d11ea..eff6c88327 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -54,8 +54,8 @@ have been set.
 
 The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
 to PLUMED and there can only be one instance of the plumed fix at a
-time. The way the plumed fix is implmented ensures that the minimum amount of information
-required is communicated.  Furthremore, PLUMED supports multiple, completely independent
+time. The way the plumed fix is implemented ensures that the minimum amount of information
+required is communicated.  Furthermore, PLUMED supports multiple, completely independent
 collective variables, multiple independent biases and multiple
 independent forms of analysis.  There is thus really no restriction in
 functionality by only allowing only one plumed fix in the LAMMPS input.

From 29dcf8348b8636d66c1ec9502e8d5522b3f37afe Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 7 Dec 2018 15:16:40 +0000
Subject: [PATCH 262/273] No longer require LAPACK and BLAS to compile
 PLUMED+LAMMPS so removed this statement from docs

---
 doc/src/Build_extras.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 273b6b11df..99d52c29e4 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -764,7 +764,7 @@ a global PLUMED installation or consider downloading PLUMED during the LAMMPS bu
 [CMake build]:
 
 When the "-D PKG_USER-PLUMED" flag is included in the cmake command you must ensure that 
-GSL, BLAS and LAPACK are installed in locations that are specified in your environment.  There
+GSL is installed in locations that are specified in your environment.  There
 are then two additional commands that control the manner in which PLUMED is obtained and linked
 into LAMMPS.
 

From 998a5121433727765f7a42f2ddaf0fd573e43d5e Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 10:19:34 -0500
Subject: [PATCH 263/273] update log files for USER-UEF

---
 .../npt_biaxial/log.22Sep17.npt_biaxial.g++.1 | 284 -----------------
 .../npt_biaxial/log.22Sep17.npt_biaxial.g++.4 | 284 -----------------
 .../npt_biaxial/log.27Nov18.npt_biaxial.g++.1 | 285 ++++++++++++++++++
 .../npt_biaxial/log.27Nov18.npt_biaxial.g++.4 | 285 ++++++++++++++++++
 .../log.22Sep17.npt_uniaxial.g++.1            | 281 -----------------
 .../log.22Sep17.npt_uniaxial.g++.4            | 281 -----------------
 .../log.27Nov18.nvt_uniaxial.g++.1            | 282 +++++++++++++++++
 .../log.27Nov18.nvt_uniaxial.g++.4            | 282 +++++++++++++++++
 8 files changed, 1134 insertions(+), 1130 deletions(-)
 delete mode 100644 examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1
 delete mode 100644 examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4
 create mode 100644 examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1
 create mode 100644 examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4
 delete mode 100644 examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.1
 delete mode 100644 examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.4
 create mode 100644 examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1
 create mode 100644 examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4

diff --git a/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1 b/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1
deleted file mode 100644
index e6d3b30cdb..0000000000
--- a/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1
+++ /dev/null
@@ -1,284 +0,0 @@
-LAMMPS (22 Sep 2017)
-# biaxial NPT deformation of WCA fluid
-
-units		lj
-atom_style	atomic
-
-
-pair_style	lj/cut 1.122562
-read_data       data.wca
-  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  500 atoms
-  reading velocities ...
-  500 velocities
-pair_coeff	1 1 1.0 1.0
-pair_modify     shift yes
-
-neighbor	0.5 bin
-neigh_modify	delay 0
-
-change_box      all triclinic
-  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
-
-# these commads show the different methods that may be used to impose
-# a constant stress through isotropic or anisotropic coupling
-fix		1 all npt/uef temp 0.722 0.722 0.5 iso 10 10 5 erate 0.5 0.5 ext z
-#fix		1 all npt/uef temp 0.722 0.722 0.5 z 10 10 5  erate 0.5 0.5 ext xyz
-
-fix             2 all momentum 100 linear 1 1 1
-
-#dump		1 all atom 25 dump.lammpstrj
-
-#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
-
-thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
-
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.62256
-  ghost atom cutoff = 1.62256
-  binsize = 0.811281, bins = 11 11 11
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton/tri
-      stencil: half/bin/3d/newton/tri
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes
-Step c_1_press[1] c_1_press[2] c_1_press[3] 
-       0    6.3937851    7.0436438    6.4461087 
-      50    7.9020345     7.303289    14.733929 
-     100    8.3214325     8.385843    13.166247 
-     150    5.7168419    5.6083988    9.7224198 
-     200    3.8875348    4.0840705    7.9912973 
-     250    4.2933724    4.2410519    7.7200953 
-     300    4.5452314    4.2434949    8.6709832 
-     350     5.446489    5.6166962    11.300536 
-     400    6.0682558    5.7787878    12.106852 
-     450    5.3884296    5.5066688    9.9100012 
-     500    4.8046418    4.7115986    9.9769201 
-     550    4.9043933    4.6240966     9.319336 
-     600    4.6843238    4.9571246    9.5325487 
-     650    5.1952989     5.195648    9.6187047 
-     700    5.4163364    5.2938289    10.136655 
-     750    5.6723178    5.0670261    11.415221 
-     800    5.9379901    5.6402916    10.815209 
-     850    5.0695389    5.3021432    10.742859 
-     900    4.6498962    4.7111912    9.8453523 
-     950    4.4811641     5.170132     9.421765 
-    1000    4.7501483    4.2420772    9.3510803 
-    1050    4.5973379    5.2046799    9.8632975 
-    1100    4.7879562    4.9051316    9.8658626 
-    1150    5.0528771    5.5048545    10.110913 
-    1200    4.9926563    5.2482081    9.9610863 
-    1250    4.8476232    4.8498859    9.5752989 
-    1300    5.2932038    5.0594534    10.869545 
-    1350    5.4720421    5.0830442     10.69386 
-    1400    4.8175566    4.9863651    10.041898 
-    1450    4.6307145    4.5615459     9.231299 
-    1500    5.0296259    4.5433558    8.7180513 
-    1550    4.8708444    5.1601014    10.256791 
-    1600    5.5098593     5.316773    10.224386 
-    1650    5.5055907    5.0516814    10.272037 
-    1700    4.6965552    5.2436628    9.8272905 
-    1750    5.0212307     4.740601    8.9738802 
-    1800    4.7756351     5.199734    9.9929449 
-    1850    4.7107092     5.177203    10.580427 
-    1900    5.0935608    4.5286844    9.3036832 
-    1950    4.8035855     4.894359    9.4423987 
-    2000    4.5643937    4.7480477    9.4384251 
-    2050    4.9314701     4.990414    10.151815 
-    2100    5.9828824    5.8188026    12.262691 
-    2150    5.5337303    5.4598468    10.136112 
-    2200     4.892172    4.8699674    9.1629905 
-    2250    4.5680591    4.5740533    9.5633545 
-    2300    5.0023535    4.3948659    8.9645774 
-    2350    5.2533056    4.9803884    10.255653 
-    2400    5.3330196    5.3888322    10.021617 
-    2450    5.2095527    4.8765336    10.135381 
-    2500     5.221153    5.2974568      10.2493 
-    2550     5.385331    5.0801192    10.490479 
-    2600    5.3274988    5.0253548    10.147587 
-    2650     4.718677    5.2710337    9.7549521 
-    2700    4.5811521    4.6083971    8.1923164 
-    2750    4.4743752    4.3319737    8.8690805 
-    2800    5.0215013    5.2262961    9.8627954 
-    2850    6.1005107    5.5994942    11.170661 
-    2900    5.9673524     5.362124    10.401699 
-    2950    5.5400849    5.7523993    10.292536 
-    3000    4.9202636    5.1210431    10.125839 
-    3050    4.5286487    5.3586164    9.8634322 
-    3100    4.5719961    5.1615414    9.8027972 
-    3150    5.4091919    4.8581943      9.96938 
-    3200     5.522125    5.3564838    9.7638407 
-    3250    4.9019062    5.2514758    9.2993079 
-    3300    5.2375918    5.1439012    9.4313575 
-    3350     4.750235    4.8692016     10.54193 
-    3400    5.5793211    5.4184157    11.021389 
-    3450    4.9022614    5.3166498    9.4629659 
-    3500    4.6348617    4.4650979    9.0665548 
-    3550    4.7922405    4.8961269    10.255446 
-    3600    4.8914457    5.1158894    9.4736084 
-    3650     5.062771    4.6725475    10.263484 
-    3700    5.4842823    5.7793971    10.342915 
-    3750    5.3136012     5.063065    10.398307 
-    3800    4.9372149    4.9270414    9.5304748 
-    3850    5.2144752    5.1716455    9.7575725 
-    3900    5.0892665    5.1697057     9.918052 
-    3950    5.1124507     5.354702     9.791366 
-    4000    5.1255084    5.1143653    10.913101 
-    4050    5.1891698    4.9913681    9.6871728 
-    4100    4.7663368    4.2435014    8.3815668 
-    4150    4.8060033    4.3415868    9.6553386 
-    4200    4.8548303    4.8006768    9.5995801 
-    4250    5.0976366    5.2683175    10.386444 
-    4300    5.8921937    5.5134696    10.788143 
-    4350    5.8323871    5.5255869    11.199128 
-    4400    5.2464655    5.0005905    10.311055 
-    4450    4.9264849    5.2499854     10.26702 
-    4500    4.4431895     4.536981    8.7489096 
-    4550    4.5180914    4.2080277    8.6525529 
-    4600    5.1782188    5.1224059    10.683341 
-    4650    5.4156233    4.8714464    10.473939 
-    4700    5.3107669     5.224614    10.569391 
-    4750    4.9538022    5.2509475    10.288918 
-    4800    4.6976945    4.8107142    9.8299772 
-    4850    5.1227936    5.0737571    10.440452 
-    4900    4.7580514    4.6375995    9.1971008 
-    4950    5.0647601    4.6470735     9.583131 
-    5000     5.196231    5.7531491    10.409807 
-    5050    5.6691323    5.7163652    12.335701 
-    5100    5.3603738    5.4887106    10.961712 
-    5150     4.455028    4.6494465    9.8096968 
-    5200    4.7596912    4.4804896    9.3762885 
-    5250    5.3144927    5.0113772     9.553101 
-    5300    5.3445266    4.8262035    9.1220802 
-    5350    5.1540657    5.5982676    10.765178 
-    5400    5.1773418    5.2684381    10.452351 
-    5450    4.8946859    5.3283747    9.8015564 
-    5500    5.2009608    4.7183522    9.4558009 
-    5550    5.4158589    5.5005458    10.539505 
-    5600    4.7196831    5.4181991    9.6439249 
-    5650    4.8333571    4.8601728    8.9350189 
-    5700    5.4395698    4.9730096    10.669681 
-    5750    5.2947443    5.6973259    10.020539 
-    5800    5.4391993    5.5255143    10.264969 
-    5850    4.9921388    5.2643827    10.217028 
-    5900    5.0048643    4.7952641    8.9718929 
-    5950    5.1843818    4.5987295    9.6858944 
-    6000    5.0343993     4.946933    9.7436708 
-    6050    4.6202714    5.3502658    10.752915 
-    6100    5.6914422    5.3621964    10.281827 
-    6150    5.1928763    5.9652686    10.923881 
-    6200    5.0030409    5.2013891    10.056308 
-    6250    4.9699876    5.2363753    9.9964211 
-    6300    4.9129606    4.4558458    9.0419952 
-    6350    4.6623958    4.4078264     8.528649 
-    6400    4.9811441    5.1183207    10.261751 
-    6450    5.3644017    5.5153937    10.401295 
-    6500    5.6674981    5.7427566    11.928777 
-    6550    5.1622364    5.3212928    10.067198 
-    6600    4.5954278    5.1645397     10.16724 
-    6650    4.9192712    5.0413326      9.95656 
-    6700    4.6179845    4.5656214    9.3798952 
-    6750    4.7287495    4.5071148    8.7890116 
-    6800    4.8600442    4.8083512    10.245595 
-    6850    5.0515531    5.1609272    10.553855 
-    6900    5.1159742    5.1359869    10.594699 
-    6950    4.8908884    5.0592418    9.5698704 
-    7000    4.7654136    4.7530776    8.9439321 
-    7050     4.779293    4.7534957    9.7244349 
-    7100    5.2265831    5.6869073     10.32717 
-    7150    5.4019177      5.15174    10.457567 
-    7200    4.9817102    5.0596098    10.337574 
-    7250    5.1836654    5.6065238    10.723108 
-    7300    4.2916569     4.457143    8.5419099 
-    7350    4.3906104    4.5439294    9.0805415 
-    7400     4.998572    5.3386063    10.491418 
-    7450    5.1109022    5.0506801    10.636116 
-    7500    5.0248381     5.019932    10.217023 
-    7550    5.0109265    5.1438717    9.9032426 
-    7600    4.6628614    4.6204146    8.9459669 
-    7650    4.8930717    5.0650009    10.049331 
-    7700    4.9373454    5.6265835    10.210644 
-    7750    5.5001067    5.3133253    10.667995 
-    7800    5.0816102    5.0125753    10.591986 
-    7850    4.9638046    5.1969015    9.9728333 
-    7900    4.8438207    4.9217213    8.9978809 
-    7950    4.7318805    4.6248537    8.6806596 
-    8000    5.2808543    5.2892613    10.932535 
-    8050    5.9609722      5.87087     10.47602 
-    8100    5.2190231    5.6693244    11.244536 
-    8150    5.3481127    5.2849903    10.222845 
-    8200    4.7833053    4.7404657    9.2034474 
-    8250    4.5461994     4.510467    10.294452 
-    8300    4.6025175    4.8332817    8.7967546 
-    8350    5.0389897    5.6642908    10.243402 
-    8400    4.8414338    4.8925143    9.3653631 
-    8450    5.5087429    4.7830361    10.831666 
-    8500    5.2678146    5.1697789    9.9105782 
-    8550    5.1211843    4.9097801    9.4165956 
-    8600    5.8239149    5.0821022    10.803261 
-    8650    5.3620154    5.5831747     11.16202 
-    8700    5.1625813    4.8791404    10.537681 
-    8750    4.5622461    5.0157549    10.013227 
-    8800    4.4051517    5.0224553    9.6364273 
-    8850    4.1711629     4.635617    8.5470244 
-    8900    4.7049907    5.2458435    10.100728 
-    8950    4.8568883    5.2360772    9.2306469 
-    9000    5.0091899    5.2203574    10.718541 
-    9050    5.1037824    4.9022451     10.24271 
-    9100    5.0789015    4.9331454     9.173614 
-    9150    5.3865455    5.3427553     11.40199 
-    9200    5.5089482    5.9423232    10.976063 
-    9250    5.1353552    5.0650262    10.040607 
-    9300    4.6761948    4.9155175    9.6413722 
-    9350    4.4780834    4.3934708    8.7049819 
-    9400    4.2561799    4.7906324     9.046134 
-    9450    5.6162819    5.2881846    9.9040868 
-    9500    5.7554547    5.6111262     10.23849 
-    9550    5.4230462    5.5656045    10.908006 
-    9600    5.5045685    4.9818892    9.8929535 
-    9650    5.0541481    5.0183351    9.5226021 
-    9700    4.9712829    5.2395398    9.9996693 
-    9750    5.0960017    5.4419775    10.914719 
-    9800    5.0790688    5.6378474     10.00789 
-    9850    4.9661747     5.114502    9.4585052 
-    9900    5.0133498    4.7456254    9.4572653 
-    9950    5.3318846    4.6643122    10.096292 
-   10000    5.2227687    4.8924305    9.5894615 
-Loop time of 4.78247 on 1 procs for 10000 steps with 500 atoms
-
-Performance: 903298.340 tau/day, 2090.968 timesteps/s
-99.2% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.73894    | 0.73894    | 0.73894    |   0.0 | 15.45
-Neigh   | 2.9092     | 2.9092     | 2.9092     |   0.0 | 60.83
-Comm    | 0.32306    | 0.32306    | 0.32306    |   0.0 |  6.76
-Output  | 0.003392   | 0.003392   | 0.003392   |   0.0 |  0.07
-Modify  | 0.6959     | 0.6959     | 0.6959     |   0.0 | 14.55
-Other   |            | 0.112      |            |       |  2.34
-
-Nlocal:    500 ave 500 max 500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    905 ave 905 max 905 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3340 ave 3340 max 3340 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3340
-Ave neighs/atom = 6.68
-Neighbor list builds = 4580
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:04
diff --git a/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4 b/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4
deleted file mode 100644
index 9be4413a96..0000000000
--- a/examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4
+++ /dev/null
@@ -1,284 +0,0 @@
-LAMMPS (22 Sep 2017)
-# biaxial NPT deformation of WCA fluid
-
-units		lj
-atom_style	atomic
-
-
-pair_style	lj/cut 1.122562
-read_data       data.wca
-  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  500 atoms
-  reading velocities ...
-  500 velocities
-pair_coeff	1 1 1.0 1.0
-pair_modify     shift yes
-
-neighbor	0.5 bin
-neigh_modify	delay 0
-
-change_box      all triclinic
-  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
-
-# these commads show the different methods that may be used to impose
-# a constant stress through isotropic or anisotropic coupling
-fix		1 all npt/uef temp 0.722 0.722 0.5 iso 10 10 5 erate 0.5 0.5 ext z
-#fix		1 all npt/uef temp 0.722 0.722 0.5 z 10 10 5  erate 0.5 0.5 ext xyz
-
-fix             2 all momentum 100 linear 1 1 1
-
-#dump		1 all atom 25 dump.lammpstrj
-
-#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
-
-thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
-
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.62256
-  ghost atom cutoff = 1.62256
-  binsize = 0.811281, bins = 11 11 11
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton/tri
-      stencil: half/bin/3d/newton/tri
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.71 | 2.71 | 2.71 Mbytes
-Step c_1_press[1] c_1_press[2] c_1_press[3] 
-       0    6.3937851    7.0436438    6.4461087 
-      50    7.9020345     7.303289    14.733929 
-     100    8.3214325     8.385843    13.166247 
-     150    5.7168419    5.6083988    9.7224198 
-     200    3.8875348    4.0840705    7.9912973 
-     250    4.2933724    4.2410519    7.7200953 
-     300    4.5452314    4.2434949    8.6709832 
-     350     5.446489    5.6166962    11.300536 
-     400    6.0682558    5.7787878    12.106852 
-     450    5.3884296    5.5066688    9.9100012 
-     500    4.8046418    4.7115986    9.9769201 
-     550    4.9043933    4.6240966     9.319336 
-     600    4.6843238    4.9571246    9.5325487 
-     650    5.1952989     5.195648    9.6187047 
-     700    5.4163364    5.2938289    10.136655 
-     750    5.6723178    5.0670261    11.415221 
-     800    5.9379901    5.6402916    10.815209 
-     850    5.0695389    5.3021432    10.742859 
-     900    4.6498961    4.7111912    9.8453524 
-     950    4.4811637    5.1701321    9.4217645 
-    1000     4.750149    4.2420768    9.3510788 
-    1050    4.5973376    5.2046787    9.8633025 
-    1100    4.7879517    4.9051339    9.8658578 
-    1150    5.0528775    5.5048671    10.110905 
-    1200    4.9926841    5.2482049    9.9610519 
-    1250    4.8475836    4.8499116    9.5753651 
-    1300    5.2930219    5.0593566    10.869335 
-    1350    5.4722342    5.0830411    10.693439 
-    1400    4.8165803    4.9851498     10.04213 
-    1450    4.6276458    4.5642988    9.2306141 
-    1500    5.0196773    4.5470773    8.7204145 
-    1550     4.878246    5.1583406    10.263895 
-    1600    5.4921049    5.3126759    10.274755 
-    1650    5.4363266    5.1708866    9.9880665 
-    1700    4.9186005    5.2841155    9.5911223 
-    1750    4.9105668    4.7112031    8.9221295 
-    1800    4.9833291     4.886821    9.6573393 
-    1850    5.0729703    4.8331712    10.094971 
-    1900    5.7220173    5.9330299    10.580261 
-    1950    5.3176022    5.7140521     11.11604 
-    2000    5.3247727    5.5172893    10.622834 
-    2050    5.2055235    4.8768078    9.9819356 
-    2100    4.4604981    4.1427844    7.8106592 
-    2150    4.4406592    4.8264893    9.6662695 
-    2200    5.2350836    5.1039145     10.36006 
-    2250    5.3777857    5.3274609    11.357157 
-    2300    5.4888334    5.9555482     10.76346 
-    2350    4.6122564    4.7356468    9.0833059 
-    2400    4.6670237    4.4895588    9.0619648 
-    2450    4.2201177    4.2558397    9.4898835 
-    2500     5.452448    5.4336384     10.50224 
-    2550     5.012581     5.316158    10.324517 
-    2600    5.0880279    5.1264772    10.085103 
-    2650    4.8885834    5.2368982    9.6002032 
-    2700    5.1549266    5.3419678    11.335447 
-    2750     5.497105    5.3643445    9.9990393 
-    2800    4.8826744    4.9875712    10.125435 
-    2850    4.8617121    5.1282348    9.5629401 
-    2900    4.7883446    4.6187804    9.0562496 
-    2950    4.7656266    5.1293592    10.693811 
-    3000    5.2676745     5.110172    9.3512146 
-    3050    4.5749222    4.8413907    10.311305 
-    3100    5.0794819     5.265009    9.1598496 
-    3150    5.2078869    5.1879882    10.412548 
-    3200    5.0187616    4.6226213    9.7266174 
-    3250    5.1541897    4.5157063    9.8355764 
-    3300    5.0721396    5.3545282    10.174356 
-    3350    5.3984495    5.3222207    10.008886 
-    3400    5.1263226    5.1189192    10.361534 
-    3450    5.1251845    4.8312752    9.6546597 
-    3500    5.1133696    5.2646289    10.320765 
-    3550    4.9884235    5.3861707    9.1944042 
-    3600     5.196909     5.203186    10.085965 
-    3650    5.4717592    5.2205442    10.251283 
-    3700    5.4429771    5.3027898    11.385714 
-    3750    5.5688484    5.5980199    10.558193 
-    3800    4.5239453    4.7021545     8.952588 
-    3850    4.6438079    4.6409958    9.3890154 
-    3900    5.1108473    4.8787691    10.665694 
-    3950    5.6398426    5.4386578    10.668189 
-    4000     5.063697    4.9663173    10.513266 
-    4050    4.8770847    4.4603573    9.8101845 
-    4100    4.3950768    4.3579384    8.3402845 
-    4150    4.3355402    5.0429352    10.323111 
-    4200    4.7688478     5.051487    9.0632339 
-    4250    4.9879366    5.3367146    10.409554 
-    4300    5.4578199    5.4889206    10.418789 
-    4350    5.6598068    5.4538572    10.842349 
-    4400    5.3705312    5.3796871    10.430547 
-    4450     4.663804     5.058851    9.2705923 
-    4500    4.3439039    4.3523422    8.1747925 
-    4550    4.5414802    4.3750772    9.2702452 
-    4600    4.9216199    5.2897069    10.747727 
-    4650    5.5154852    5.9628437      10.5168 
-    4700      5.45199     5.382787    10.654544 
-    4750    4.7525419    5.4701385    9.3189378 
-    4800    5.3696365    4.6134207    9.4455676 
-    4850    5.2444123     5.035993    9.4148435 
-    4900    5.6006507    4.8536828    10.283579 
-    4950     5.155711     4.978634     10.58973 
-    5000    5.0854607    4.9853307    9.2414296 
-    5050    5.1098462    4.7349164    9.8739001 
-    5100    5.1989395    5.0217416    9.8780949 
-    5150     5.612116    5.2165007    10.338464 
-    5200    5.0571356    5.3109846    10.685262 
-    5250    5.4832657    5.0371665    8.9420853 
-    5300    4.5312549    4.9629392    8.2478064 
-    5350    5.1617038    5.0533699    10.452218 
-    5400    5.7873394    5.6776926    11.926526 
-    5450    5.7002516     5.243239    10.940265 
-    5500    4.7896799     4.898544    10.163856 
-    5550    4.9155627    4.9567495    9.4445476 
-    5600    4.2447343    4.5045912    8.7732992 
-    5650     5.070197    4.7343938    9.9908239 
-    5700    4.9609446    5.0901934    10.812786 
-    5750    5.4001631    5.5552888    10.085896 
-    5800    5.4209837    4.7153245    9.6865245 
-    5850    4.9801041     5.180338    9.8930439 
-    5900    5.3423595    5.2341361    10.294159 
-    5950     5.683047    5.6830131     10.24313 
-    6000    5.0618789    5.4533644    10.713412 
-    6050    5.4034888    4.6341621    10.031976 
-    6100    5.1934299    4.7525347    9.1287151 
-    6150    5.0092398     4.806931    10.024305 
-    6200    5.3046516    5.3083532    9.6396223 
-    6250    5.2824046    4.7957557    10.305279 
-    6300    5.3007029    5.0071874    11.175322 
-    6350    5.1128883     4.990408    9.3439118 
-    6400    5.0543602    4.9971378    9.8259954 
-    6450    4.8843692    4.9116343     10.08132 
-    6500    4.5966453    4.8042861     9.160272 
-    6550    4.8510961    4.7096646    9.8009968 
-    6600     5.658307    5.2330511    10.739519 
-    6650    5.2374409    5.3241249    10.291779 
-    6700    4.9006975    5.0036186    9.9872029 
-    6750    5.2209104    5.1826025    9.5671875 
-    6800    4.5238727    4.3070529    8.6072303 
-    6850    4.2617247    4.7551571    9.7302077 
-    6900    5.6499354    4.8714257    10.723511 
-    6950    5.6881769    5.1800721     10.18134 
-    7000     5.588834    5.0104896    10.304105 
-    7050    4.9404045    4.8589121    9.7096741 
-    7100    5.2208179    4.9339808    9.7737491 
-    7150    5.4507842     5.046485    10.734783 
-    7200    4.9737171    5.5760486    9.1627431 
-    7250    4.5967409     4.750471     9.315832 
-    7300    5.5147308    5.3202861    10.542679 
-    7350    5.7730418    5.5363574    10.384376 
-    7400    4.9879586    5.2837443    9.4485798 
-    7450    5.1862431    4.8357842    10.017598 
-    7500    5.4528245    5.1864957    10.941774 
-    7550    5.4202434    5.1089468    10.128264 
-    7600    4.8063537    4.8723653    9.0364984 
-    7650    4.3144701    4.6148377    9.4939315 
-    7700    4.9033831    5.5327473    9.9054613 
-    7750    5.0693093    5.0768222    10.473081 
-    7800    5.0591805    5.6009473    10.006225 
-    7850      5.15269     5.468248    10.404619 
-    7900    5.1971759    5.0615117    9.9614488 
-    7950    4.9771238     4.886213    9.4730722 
-    8000    4.7731123    5.1111433    9.9550597 
-    8050    5.1655183    5.4432364    9.6649669 
-    8100    5.4597006    5.4026039    11.631184 
-    8150    5.3229643    5.4394219    9.9830611 
-    8200    4.5420712    4.9359646    9.0121988 
-    8250    4.5455108    4.3883996    10.304568 
-    8300     5.219721    5.1571958    10.305462 
-    8350    4.7291561    4.7391636    9.0768372 
-    8400    5.3262934    5.8221591    11.065466 
-    8450    4.7583026    5.2282086    10.291955 
-    8500    4.9174536    4.5701979    10.140444 
-    8550     4.459922    4.8293188    9.4438719 
-    8600    4.7962584    4.5811071    9.5158666 
-    8650    4.6097275     4.431952    9.4350505 
-    8700     5.166554    5.2000584    11.162202 
-    8750    5.2353596    5.1668944    10.829751 
-    8800    5.3150111    4.9983333    9.8402224 
-    8850    4.9571197    4.9196589    9.4880549 
-    8900     4.902223    4.7539187    10.002425 
-    8950    4.9531983    5.0517321    9.7838444 
-    9000    5.4003802    4.9900303    10.550808 
-    9050    4.9254643    5.0678701     10.24321 
-    9100    4.9902263    4.9056928    9.0326566 
-    9150    5.1003677    5.1555374    10.049056 
-    9200    5.2358131    5.5834504    10.354698 
-    9250    5.5781649    5.1188429    10.361369 
-    9300    5.2100192    5.0737267    10.074694 
-    9350    5.1462976    4.8010759    9.0279769 
-    9400    5.0177693    5.4890092     10.03612 
-    9450    5.2507957     5.541141    10.639854 
-    9500     5.836784    4.9498236    10.288015 
-    9550    5.4698183    5.8761209    10.979924 
-    9600    5.0534023    5.0043428    10.436057 
-    9650    4.3619773    4.5413125     9.047513 
-    9700    4.3777508    4.7902251    8.9501908 
-    9750    4.6851974    4.3152085     8.825764 
-    9800    5.7312665     4.850913    10.247637 
-    9850    6.2290614    5.5480801    10.934907 
-    9900    6.0316892    6.1098926    11.562223 
-    9950    5.6370814    5.3933342    11.148805 
-   10000    4.6429923    5.0853156    9.4267693 
-Loop time of 3.06414 on 4 procs for 10000 steps with 500 atoms
-
-Performance: 1409858.531 tau/day, 3263.561 timesteps/s
-99.4% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.27954    | 0.30916    | 0.3866     |   8.1 | 10.09
-Neigh   | 1.0657     | 1.129      | 1.2853     |   8.5 | 36.85
-Comm    | 0.56334    | 0.80526    | 0.89816    |  15.6 | 26.28
-Output  | 0.0032749  | 0.0041527  | 0.006541   |   2.1 |  0.14
-Modify  | 0.6522     | 0.67016    | 0.69843    |   2.1 | 21.87
-Other   |            | 0.1464     |            |       |  4.78
-
-Nlocal:    125 ave 130 max 122 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Nghost:    459.75 ave 470 max 448 min
-Histogram: 1 0 0 0 0 1 1 0 0 1
-Neighs:    837 ave 867 max 811 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-
-Total # of neighbors = 3348
-Ave neighs/atom = 6.696
-Neighbor list builds = 4589
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1 b/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1
new file mode 100644
index 0000000000..640a28f9b5
--- /dev/null
+++ b/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1
@@ -0,0 +1,285 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# biaxial NPT deformation of WCA fluid
+
+units		lj
+atom_style	atomic
+
+
+pair_style	lj/cut 1.122562
+read_data       data.wca
+  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  500 atoms
+  reading velocities ...
+  500 velocities
+pair_coeff	1 1 1.0 1.0
+pair_modify     shift yes
+
+neighbor	0.5 bin
+neigh_modify	delay 0
+
+change_box      all triclinic
+  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
+
+# these commads show the different methods that may be used to impose
+# a constant stress through isotropic or anisotropic coupling
+fix		1 all npt/uef temp 0.722 0.722 0.5 iso 10 10 5 erate 0.5 0.5 ext z
+#fix		1 all npt/uef temp 0.722 0.722 0.5 z 10 10 5  erate 0.5 0.5 ext xyz
+
+fix             2 all momentum 100 linear 1 1 1
+
+#dump		1 all atom 25 dump.lammpstrj
+
+#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
+
+thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
+
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.62256
+  ghost atom cutoff = 1.62256
+  binsize = 0.811281, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes
+Step c_1_press[1] c_1_press[2] c_1_press[3] 
+       0    6.3937851    7.0436438    6.4461087 
+      50    7.9021894    7.3034499    14.734246 
+     100    8.3198606    8.3842654     13.16397 
+     150    5.7076656    5.5982431    9.7076087 
+     200    3.8796305    4.0770762    7.9770769 
+     250    4.2919032     4.238322    7.7197548 
+     300    4.5471904    4.2439152    8.6784073 
+     350    5.4499339    5.6138035    11.342244 
+     400    6.0971324    5.7822211    12.109875 
+     450    5.3647873    5.5491216     10.23872 
+     500    4.7330582    4.9093422    9.5012486 
+     550    4.7299281    4.8129828    8.9138674 
+     600    5.0292698    5.1135021    10.070768 
+     650    5.1900397    5.5845625    11.350623 
+     700    5.1727128    5.2582562    10.567787 
+     750    4.9027287     5.191078     10.36931 
+     800     4.388688    4.9604327    10.059407 
+     850    4.5645376    5.0369956    9.0534539 
+     900    4.5706965    4.6288161    9.4845585 
+     950    4.7846561    4.9221506    9.3307162 
+    1000    5.2833925    5.0190193    9.8590467 
+    1050    5.1489396    5.2489756    10.687019 
+    1100    5.7646259     5.602148     11.94447 
+    1150    4.9866799    5.6939822    10.344135 
+    1200    4.5833981    4.5773728    9.4777252 
+    1250    4.7783135    4.9004848    9.2356004 
+    1300    4.2398409     4.615078    8.7232141 
+    1350    5.0506617    5.1063295    8.9250218 
+    1400    5.7596032    5.6925832     11.16017 
+    1450    5.7463278    5.8799898     11.91113 
+    1500    5.4673173    5.8848951      11.6597 
+    1550    5.0514131    5.1189654    10.546707 
+    1600    4.9176147    4.1974593    8.7559871 
+    1650    4.7931674    4.0362562    9.2200844 
+    1700    4.7777009      4.60455    9.3914386 
+    1750    4.9917958    4.7710286    10.165995 
+    1800    5.2878704    5.5858079    11.379962 
+    1850    5.4762341    5.3559539    10.721841 
+    1900    4.6136909    4.5841745    9.7970945 
+    1950    4.6842216    4.6974096    9.4870028 
+    2000     5.184473    4.9322483    9.8842281 
+    2050    4.5704007    4.8389652    9.6076323 
+    2100     4.731755    5.1286396    9.6765813 
+    2150    4.9627984    5.2100464    10.411354 
+    2200    5.5505018    5.2407864    10.814884 
+    2250    5.1845435    5.3669868     10.41897 
+    2300    4.7670519    5.0308883    9.2387629 
+    2350    4.9576226    4.8044307    10.012093 
+    2400    4.8229281    5.4438547    10.382479 
+    2450     5.248646    5.0912182    9.6595448 
+    2500    4.5705024    5.2219593    9.7339159 
+    2550    4.8641037    4.8403069    10.837472 
+    2600     4.992522    4.9890222    10.285939 
+    2650    5.0975741    4.8716384    9.1436874 
+    2700    5.0915762    4.8597862    10.084163 
+    2750    5.2367693    5.3621151    9.0409101 
+    2800     5.622419    5.0745161    10.864692 
+    2850    5.4124822    5.1270063    10.529586 
+    2900    4.9512714    4.9771705    10.399134 
+    2950    4.9086056    5.0481759    10.175282 
+    3000    4.7222615    4.9375912    9.9580179 
+    3050    4.5538609    4.3906993    8.8014332 
+    3100    4.5597935    4.8460914    9.0447372 
+    3150    4.5797444    4.9881963    8.9865982 
+    3200     5.344343    5.9378413    10.300797 
+    3250    5.7394225     5.729666    10.393771 
+    3300    5.7241388    5.6422002    11.420378 
+    3350    5.7371735    5.5517544    10.421863 
+    3400    4.7912531    5.1087978    10.044837 
+    3450    4.7552647    5.1176239    9.4485297 
+    3500    4.6004309    4.3453595    8.9125932 
+    3550    4.9184353    5.1436174    9.7470471 
+    3600    5.1448379    5.4587206    10.165912 
+    3650    5.6421488    4.7860491     10.10303 
+    3700    5.3222064    4.9006491    9.5460889 
+    3750     5.092313    5.2169901    9.9356306 
+    3800    4.9801751    5.5561465    10.128499 
+    3850    5.3094304    5.3782291    10.264236 
+    3900    5.3126758     5.188821    11.351077 
+    3950    4.8915881    5.1644345    10.288019 
+    4000    4.5416371    4.6946129    9.3622014 
+    4050    4.5022234    4.4690638    10.012634 
+    4100    4.4299746    4.7336989    9.3569727 
+    4150    4.7581629    4.8536378    9.0409304 
+    4200    4.9710073    5.1630615    10.407298 
+    4250    5.6374144    5.4881368    10.247062 
+    4300    5.1408355    5.2940493     10.43495 
+    4350    5.3459236    6.1022236     11.70019 
+    4400     4.969296    5.3035229    9.0524362 
+    4450    4.6229598    4.8806514    8.8791459 
+    4500    4.9518994    4.9395758    9.7992747 
+    4550    4.7885188    5.4827408    10.569473 
+    4600    5.1209124    5.1413191      9.96529 
+    4650     4.642043    4.6618949     10.76236 
+    4700    5.1144846     5.499524    9.8381957 
+    4750    4.8799532    5.3405099    10.623812 
+    4800    4.6075583    4.9659041    9.7525443 
+    4850    4.5846434    4.5795043    8.9731754 
+    4900    4.9225237    4.7748458    9.9316644 
+    4950    4.9244884    5.2020183    10.120389 
+    5000    5.6517752    5.2456778    10.778682 
+    5050     5.690954      5.93441    11.019793 
+    5100     5.414263    4.9849471    10.286106 
+    5150    4.6403857    4.6021283    8.6873358 
+    5200    4.4356878    4.8433705    9.0391816 
+    5250    4.9737985     4.587079    9.9192911 
+    5300    5.8002123     5.311289     10.44249 
+    5350     5.307608    5.2150013    10.758409 
+    5400    5.5956239    5.7062478    10.239561 
+    5450    4.9762354    4.8541637    9.5752211 
+    5500    4.4187604    4.8494725    9.4936376 
+    5550    4.8266999    4.8436252    9.8148366 
+    5600    5.0972098    5.3722443    9.5084475 
+    5650    5.6753757    5.5321731    11.580265 
+    5700    5.4238765    5.7052353    10.573799 
+    5750     4.971213    4.7631056    10.309824 
+    5800    4.5834127    4.6186465    8.6771163 
+    5850    4.5848316    4.6314011     9.304245 
+    5900    4.9686648    4.9363314      9.20327 
+    5950    5.5225484    5.4699081    9.8202357 
+    6000    5.1154967    5.4159103    11.365369 
+    6050    6.2280757    5.9528656    10.896266 
+    6100    4.9952626    4.8579703    9.9255705 
+    6150    4.9072665    4.9180355    9.3070012 
+    6200    4.9980254    4.6451563    9.6882833 
+    6250    4.9274701     4.843916     9.248074 
+    6300    4.7151735    4.8269527    10.215966 
+    6350    5.3385638    4.9034159    10.242033 
+    6400    5.1869704    5.1267673    9.3800463 
+    6450    5.1033726    4.7937297    9.8448947 
+    6500    5.5449526    5.2691074    10.689638 
+    6550    5.2074561     5.060495    9.6009695 
+    6600    5.0396844    5.1516197    9.8904407 
+    6650    5.1593731    5.4506319    10.462558 
+    6700    4.5221329    4.5495865    8.9180743 
+    6750    4.5110386    4.5741907    9.3171993 
+    6800    4.7533826     4.876553    9.7084497 
+    6850    5.0605867     4.973688     9.662081 
+    6900    5.2087631    5.1959274     10.13267 
+    6950    5.6362175    5.6963964     11.29584 
+    7000     5.576673    5.9467144    11.050861 
+    7050    5.0264206    5.2946524    9.6572419 
+    7100    4.3402188    4.5108706    10.089382 
+    7150    4.3936062    4.7647229    10.059301 
+    7200    4.4855959    4.8454956    8.7993639 
+    7250    4.6376839     4.510911      9.34682 
+    7300    5.1789012    5.5962982    9.8488588 
+    7350    5.1642017    5.7861968    11.256613 
+    7400     5.579834    5.4968053    10.458099 
+    7450     5.149371    5.1220487    10.334194 
+    7500    4.8048448    5.3089412    9.5345436 
+    7550    4.2194278    4.6923534    8.8959444 
+    7600    4.6725406    5.0908615    10.476709 
+    7650    5.4411341    6.0356547    9.8581093 
+    7700    5.4495963    4.9208089    10.165184 
+    7750    5.0399074    5.1009352    9.9838045 
+    7800    5.5620123      5.44628    11.417925 
+    7850    4.9256715    4.8516742    9.6209317 
+    7900    4.5979669    4.4223413    9.3118322 
+    7950    4.7917041    4.1972832    9.5471092 
+    8000    5.1301858    4.9674852    10.424156 
+    8050     5.748976     5.406546    10.373017 
+    8100    5.3810447    5.4890332    10.586819 
+    8150    4.9586471    5.4037102    9.9944559 
+    8200    4.8044905    4.9263889    9.8245965 
+    8250    5.1890626    4.8840094    9.7558687 
+    8300    5.1432598    4.9320019    9.5772204 
+    8350    5.4751159    5.4465332    10.829543 
+    8400    5.2404265    5.8728396     10.05644 
+    8450    4.4832074    4.4327489    8.9569293 
+    8500    4.7544224    4.8037462    9.8855364 
+    8550    5.4523169    5.2905182    9.1832957 
+    8600     5.263837    5.5303415    10.025825 
+    8650    5.9855618    5.8626459    10.979494 
+    8700    5.5999724    6.0400058    10.170144 
+    8750    4.9578968    5.5337422    10.757767 
+    8800    4.9516411    5.0981136    10.107278 
+    8850    5.3097468    4.8852969    9.7556365 
+    8900    4.9022802    4.5332799    9.9128314 
+    8950    4.5798287    4.9654454    9.3983545 
+    9000    4.6863328    4.6733925    9.2061315 
+    9050    5.3305895    5.1208488    10.303653 
+    9100    5.2508029    4.9931355    10.111519 
+    9150    5.8456247    5.4272407    11.050285 
+    9200    5.5908453    4.9848894    10.085967 
+    9250    5.1045049    5.2151002    9.4749781 
+    9300    5.0960954     5.135387    10.252554 
+    9350    5.2143619     5.011559    10.041876 
+    9400    5.0022922     4.999297    9.9435905 
+    9450    4.5307558    4.8357118    9.2329515 
+    9500    5.2777602    4.9195148    9.6776364 
+    9550    5.4997839    5.5573251    10.338272 
+    9600    5.4457202    5.0366677    10.150373 
+    9650    4.8065991    4.8888395    9.4042123 
+    9700    4.6046806    4.9965077    10.156526 
+    9750    5.3833033     5.329118     10.51264 
+    9800    5.1963178    4.9792777    10.438061 
+    9850    5.3142717    5.2298222    10.296422 
+    9900     4.918227    5.1840342    9.0013389 
+    9950    4.5248956    4.7735581    8.9338178 
+   10000    5.3267032    4.9182263     10.19245 
+Loop time of 3.73058 on 1 procs for 10000 steps with 500 atoms
+
+Performance: 1157997.888 tau/day, 2680.551 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.52144    | 0.52144    | 0.52144    |   0.0 | 13.98
+Neigh   | 2.2369     | 2.2369     | 2.2369     |   0.0 | 59.96
+Comm    | 0.24337    | 0.24337    | 0.24337    |   0.0 |  6.52
+Output  | 0.0015652  | 0.0015652  | 0.0015652  |   0.0 |  0.04
+Modify  | 0.64512    | 0.64512    | 0.64512    |   0.0 | 17.29
+Other   |            | 0.0822     |            |       |  2.20
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    912 ave 912 max 912 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3370 ave 3370 max 3370 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3370
+Ave neighs/atom = 6.74
+Neighbor list builds = 4581
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:03
diff --git a/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4 b/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4
new file mode 100644
index 0000000000..65919b8955
--- /dev/null
+++ b/examples/USER/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4
@@ -0,0 +1,285 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# biaxial NPT deformation of WCA fluid
+
+units		lj
+atom_style	atomic
+
+
+pair_style	lj/cut 1.122562
+read_data       data.wca
+  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  500 atoms
+  reading velocities ...
+  500 velocities
+pair_coeff	1 1 1.0 1.0
+pair_modify     shift yes
+
+neighbor	0.5 bin
+neigh_modify	delay 0
+
+change_box      all triclinic
+  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
+
+# these commads show the different methods that may be used to impose
+# a constant stress through isotropic or anisotropic coupling
+fix		1 all npt/uef temp 0.722 0.722 0.5 iso 10 10 5 erate 0.5 0.5 ext z
+#fix		1 all npt/uef temp 0.722 0.722 0.5 z 10 10 5  erate 0.5 0.5 ext xyz
+
+fix             2 all momentum 100 linear 1 1 1
+
+#dump		1 all atom 25 dump.lammpstrj
+
+#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
+
+thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
+
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.62256
+  ghost atom cutoff = 1.62256
+  binsize = 0.811281, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.71 | 2.71 | 2.71 Mbytes
+Step c_1_press[1] c_1_press[2] c_1_press[3] 
+       0    6.3937851    7.0436438    6.4461087 
+      50    7.9021894    7.3034499    14.734246 
+     100    8.3198606    8.3842654     13.16397 
+     150    5.7076656    5.5982431    9.7076087 
+     200    3.8796305    4.0770762    7.9770769 
+     250    4.2919032     4.238322    7.7197548 
+     300    4.5471904    4.2439152    8.6784073 
+     350    5.4499339    5.6138035    11.342244 
+     400    6.0971324    5.7822211    12.109875 
+     450    5.3647873    5.5491216     10.23872 
+     500    4.7330582    4.9093422    9.5012486 
+     550    4.7299281    4.8129828    8.9138674 
+     600    5.0292698    5.1135021    10.070768 
+     650    5.1900397    5.5845625    11.350623 
+     700    5.1727128    5.2582562    10.567787 
+     750    4.9027287     5.191078     10.36931 
+     800     4.388688    4.9604327    10.059407 
+     850    4.5645375    5.0369956     9.053454 
+     900    4.5706968    4.6288162    9.4845589 
+     950    4.7846558    4.9221509    9.3307157 
+    1000    5.2833916    5.0190189    9.8590443 
+    1050    5.1489424    5.2489801    10.687018 
+    1100    5.7646249    5.6021408    11.944487 
+    1150    4.9866349    5.6939763    10.344098 
+    1200    4.5834696    4.5773711    9.4777656 
+    1250    4.7782628    4.9003931    9.2354794 
+    1300    4.2398086    4.6156458    8.7235594 
+    1350    5.0516664     5.106151     8.925344 
+    1400    5.7599281     5.693153    11.161569 
+    1450      5.74929    5.8792255    11.905985 
+    1500    5.4770201    5.8663899    11.634664 
+    1550    5.0842872    5.0979505    10.526591 
+    1600    4.8431505    4.2339226    8.7429902 
+    1650     4.733907    4.1990477    9.0573593 
+    1700    5.2670297    4.8937733    9.5161206 
+    1750    5.0933882    5.0840957    10.003455 
+    1800    5.0762036    5.3282866    10.370587 
+    1850    5.5253602    5.8193463    11.162205 
+    1900    4.9830867    5.1984155    9.9505494 
+    1950    5.0833879    5.0020521    9.4919371 
+    2000    5.1066344    5.1579719    9.8668875 
+    2050    5.3988406    5.5046098    10.419135 
+    2100    5.2433191    5.1605828    10.335759 
+    2150    4.9353676    4.3373911    9.6748317 
+    2200    4.5278686    4.7876115    10.186293 
+    2250    5.3058781    5.1020131    10.807037 
+    2300    5.3049465    5.4198068    9.4589098 
+    2350    4.9691623    4.6449463    9.6883654 
+    2400    5.0591959    4.6871509    10.501085 
+    2450    5.6485626    5.7934938     10.40336 
+    2500    4.8529542    4.8645589    9.7522638 
+    2550    4.6185478    4.6833643    9.9536174 
+    2600    5.3007332    5.5198106    9.9052474 
+    2650    5.0990987    5.1565356     10.46545 
+    2700    4.7312547    4.9440008    9.8533728 
+    2750    5.1788563    5.2765759    10.151495 
+    2800    4.9110276    4.7663836    9.1840513 
+    2850    5.2237628    5.1726783    11.249313 
+    2900    5.2809505    5.5441058    10.201093 
+    2950    5.3076988    5.6051526    10.514995 
+    3000    5.1184905    5.5419286    10.601518 
+    3050    4.6911631    5.3808828    10.457661 
+    3100    4.8607911    4.9603546    9.4301575 
+    3150    4.5154241    4.2391572     8.793511 
+    3200    4.9225855    4.8553117    10.097738 
+    3250    5.2806657    5.0883118    10.019105 
+    3300    5.6211399    5.4189754    10.031345 
+    3350    5.3272587    5.3012125    10.511112 
+    3400    5.1537795    5.2751757    10.586364 
+    3450    4.9755489    4.7379757    9.5319067 
+    3500     4.639772    4.2724622    8.6134078 
+    3550     4.429646    4.4744424    9.6934076 
+    3600    4.7884194    5.0029165    10.298349 
+    3650     5.187187    5.3525308    10.776252 
+    3700    5.4484919     5.252409    10.249911 
+    3750    5.4023844    5.4702812    10.510152 
+    3800    5.5390275    5.5558904    11.637892 
+    3850    5.0607613    4.7094507    10.655553 
+    3900    4.7039017    4.6735214    9.2616315 
+    3950    4.4841881     4.177444    8.2781294 
+    4000    4.4476096     4.644048    9.2288327 
+    4050    5.3377013    5.4161214    10.327745 
+    4100    5.5088439     5.472021    10.160241 
+    4150    5.2563495    5.7227923    10.944344 
+    4200    5.7697457    5.9285173     11.01361 
+    4250    5.5588517    5.6191129     10.10097 
+    4300    4.7979693     5.160914    8.9640624 
+    4350    4.5787515     4.921702    9.3202685 
+    4400    4.7553573    4.6660054    9.1421637 
+    4450    5.1209721       5.6522    10.972614 
+    4500    5.4707365      5.73796    11.766141 
+    4550    5.3811545    5.1951701    10.080047 
+    4600    4.6186413    4.6707428    10.171706 
+    4650    4.5253667    4.2958906     8.357902 
+    4700    4.7727574    5.0615193    9.9593597 
+    4750    5.1177598     4.818905    10.331896 
+    4800    5.7793785    5.4309352    10.528804 
+    4850    5.2737538    5.3926071    10.911118 
+    4900    4.9248662    5.1161409    9.9553052 
+    4950    4.5438154    4.5542986    9.7231827 
+    5000    4.5792931     5.037416    9.4471877 
+    5050    5.4657934    4.6463368    10.525459 
+    5100    5.1929248    5.3150781    10.600995 
+    5150    5.2424553    5.6037815    11.400125 
+    5200    5.3554776    5.1462851    10.312698 
+    5250    4.5621722    4.6536715    8.9629186 
+    5300    4.3302701    4.0032142    8.2178001 
+    5350    4.4089902    4.4070826      9.98944 
+    5400    5.4923486     5.243049    9.8450519 
+    5450    5.9651716    5.7058525    10.868126 
+    5500    5.7119235    5.8769703    11.394999 
+    5550    5.2139995    5.1454474    11.033523 
+    5600    4.7379338     4.942432    9.4940872 
+    5650    4.5231066    4.4487457    8.7695323 
+    5700     4.708033    4.6389279    9.6186407 
+    5750    4.9251705    5.2008226    9.7552276 
+    5800    5.1820518    5.1298277    9.9062279 
+    5850    5.1682714    5.5417945    10.510452 
+    5900    5.3240541     5.447607    10.196406 
+    5950    5.0230117    5.2275764    10.023658 
+    6000    4.7808616    4.9572765    9.3874738 
+    6050    5.3665339    5.0259733     10.08598 
+    6100    4.3792707     4.498684    9.2981408 
+    6150    5.5644405    5.0701965    9.6641099 
+    6200    5.5089344    5.2024156    10.681185 
+    6250    5.2016449    5.1923702     10.58283 
+    6300    5.0820055    4.9044561    9.2080884 
+    6350    5.2807998    5.3178136    10.960667 
+    6400    5.2356859    5.3937694    10.444279 
+    6450    4.9141004    5.0424402    9.8583318 
+    6500     4.730159    4.3778519    8.3347658 
+    6550    4.4680692    4.1557934    8.2081388 
+    6600    5.1035106    5.5797859    10.011564 
+    6650    6.0395438    5.9206816    11.127476 
+    6700    5.8615491    6.3110504    11.394217 
+    6750    5.6633011    5.4526334    11.052886 
+    6800    5.0080995     5.057409    10.062444 
+    6850    4.7698449    4.6981695    9.4610313 
+    6900    4.7354667      4.37141    9.9744222 
+    6950    4.7911975    5.0203879    9.7662892 
+    7000    5.2428984    5.5119167    10.442666 
+    7050     4.682975    4.9969905    9.7644109 
+    7100      5.01603    5.0199261     10.21075 
+    7150    5.1231276    4.9029064    9.6731597 
+    7200    5.0505154    4.7700974     9.368416 
+    7250    4.5832902     4.862384    9.3573655 
+    7300    4.9754198    4.8922117    10.281497 
+    7350    5.3775547    5.0882575    9.6564673 
+    7400    4.7805076    5.1817965    10.671837 
+    7450    4.9477584    4.8112232    10.521294 
+    7500    5.0159196    4.5830513    10.315726 
+    7550    4.5457712    4.3742672    8.2750411 
+    7600    4.5562458    4.7579489    9.4828599 
+    7650    5.0911757    5.4088122    10.241168 
+    7700    5.8998331     5.158098    10.533196 
+    7750    5.2573341    5.6316362    11.582955 
+    7800    5.5208399    5.5724767    10.552019 
+    7850    4.2579682    4.4297565    9.0720476 
+    7900    4.4805314    4.2668697    8.5308736 
+    7950    5.0361726    4.7345663     9.053936 
+    8000    4.9653741    5.0377825    9.7367426 
+    8050    5.6899681    5.2423091    10.791377 
+    8100    5.7463021    5.7578506    10.412899 
+    8150    5.2759991    5.4104042    10.070985 
+    8200     5.458295    5.8367826    11.164512 
+    8250    5.0428079    5.1837655    9.9204724 
+    8300    4.6809536    4.5537928    9.4697904 
+    8350    4.8813528    4.8364418    10.099128 
+    8400    4.7682666    5.2049648    9.5798138 
+    8450    5.0663986    4.5988946    9.4560847 
+    8500    4.9165971     4.860584    9.5549796 
+    8550    5.3481259    5.3835901    10.844579 
+    8600    5.5975372    5.5878997    10.943816 
+    8650    4.3283508    4.7046268    8.8049918 
+    8700     5.089621    4.7172523    9.9647935 
+    8750    5.1012591    4.5471991    9.9327107 
+    8800     5.268596    5.2408733    10.867265 
+    8850    5.4760815    4.9428094    10.748623 
+    8900    4.6100656     5.146025    10.553286 
+    8950    4.4411237    5.0226732    9.6226103 
+    9000    4.3935196     4.591527     8.462486 
+    9050    4.5657639    4.7316578    10.336313 
+    9100    4.8547926    4.7683761    10.473456 
+    9150    5.2718858    5.1274542    9.4487204 
+    9200    5.6536596    5.0085121    10.538513 
+    9250    4.8978022    5.5399287    11.227994 
+    9300    5.1949276    5.2477679    9.4501652 
+    9350     4.614631    4.5123768    8.9589058 
+    9400    4.9004056    5.2279931    9.6976631 
+    9450    5.2069446    5.0233778    9.9944637 
+    9500    5.9550777    5.5494597     11.15982 
+    9550    5.0613169    5.0592065    9.7027551 
+    9600    5.1136537     4.826222    10.615866 
+    9650    4.7063369    5.1309647    9.3445464 
+    9700      5.03856    4.8819472    9.6814972 
+    9750    4.5600617    4.8391307    10.209608 
+    9800    4.9439503    4.9625294    10.613186 
+    9850    5.4817844    5.1051439    10.055569 
+    9900    5.0079108    4.8100264    9.0562123 
+    9950    4.8676477    4.6891998    9.3252737 
+   10000    4.9643649    5.9339432    10.816137 
+Loop time of 1.53648 on 4 procs for 10000 steps with 500 atoms
+
+Performance: 2811615.788 tau/day, 6508.370 timesteps/s
+94.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.13145    | 0.13475    | 0.13936    |   0.9 |  8.77
+Neigh   | 0.56509    | 0.57539    | 0.58617    |   1.2 | 37.45
+Comm    | 0.34317    | 0.35857    | 0.37377    |   2.4 | 23.34
+Output  | 0.0018919  | 0.0046901  | 0.012948   |   7.0 |  0.31
+Modify  | 0.38306    | 0.39165    | 0.39657    |   0.8 | 25.49
+Other   |            | 0.07143    |            |       |  4.65
+
+Nlocal:    125 ave 128 max 122 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Nghost:    457.5 ave 468 max 453 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+Neighs:    850.75 ave 868 max 824 min
+Histogram: 1 0 0 0 0 1 0 0 0 2
+
+Total # of neighbors = 3403
+Ave neighs/atom = 6.806
+Neighbor list builds = 4589
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01
diff --git a/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.1 b/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.1
deleted file mode 100644
index 2c13448192..0000000000
--- a/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.1
+++ /dev/null
@@ -1,281 +0,0 @@
-LAMMPS (22 Sep 2017)
-# uniaxial NVT deformation of WCA fluid
-
-units		lj
-atom_style	atomic
-
-
-pair_style	lj/cut 1.122562
-read_data       data.wca
-  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  500 atoms
-  reading velocities ...
-  500 velocities
-pair_coeff	1 1 1.0 1.0
-pair_modify     shift yes
-
-neighbor	0.5 bin
-neigh_modify	delay 0
-
-change_box      all triclinic
-  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
-
-fix		1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5
-
-fix             2 all momentum 100 linear 1 1 1
-
-#dump		1 all atom 25 dump.lammpstrj
-
-#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
-
-thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
-
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.62256
-  ghost atom cutoff = 1.62256
-  binsize = 0.811281, bins = 11 11 11
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton/tri
-      stencil: half/bin/3d/newton/tri
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes
-Step c_1_press[1] c_1_press[2] c_1_press[3] 
-       0    6.3937851    7.0436438    6.4461087 
-      50    10.369902    10.999889    6.5437384 
-     100    12.411384    13.145871    7.8892802 
-     150     12.88182    12.114068    7.5155182 
-     200    10.375571    10.979773    6.5624056 
-     250    10.158901    10.251273    5.4525068 
-     300    10.011314    9.8371382    5.4031393 
-     350    9.4890008    9.7992108     5.054963 
-     400    9.1715116    9.2647886    4.9600208 
-     450    9.8495961    9.3353483     4.986786 
-     500    9.5903809     8.576173    4.8252116 
-     550    8.8057509    9.7152078    4.9089022 
-     600    8.9743682    10.031277    4.8924072 
-     650    10.233852    9.3059527    5.1977058 
-     700    9.2361906    9.6439971    5.0923763 
-     750    10.449751    9.5911465    5.2548714 
-     800    9.8366857    9.9873885    4.9456956 
-     850    10.266351    9.9620134    5.0602713 
-     900    9.6325813    9.3910946    5.1466624 
-     950    9.1911919    9.1519006    4.8275345 
-    1000    9.2871712    9.8508501    5.2674099 
-    1050    9.7052035    10.291793     5.160359 
-    1100    9.9425552    10.361827    5.5520484 
-    1150    10.377563     10.26588    5.5997436 
-    1200    9.6368269    10.354413    5.4137873 
-    1250    9.2071055    9.1706334    4.9800411 
-    1300    9.7140516    8.7257777    4.8536943 
-    1350    10.145983    9.8247797    4.8921813 
-    1400    9.1998975    9.6935675    5.2269871 
-    1450    9.4838136    8.9035726    4.6867121 
-    1500     9.066389     9.811658    4.8875316 
-    1550    10.007083    9.8946118     5.204609 
-    1600     9.722137    9.9291588     5.326712 
-    1650    9.7424614    9.6995966    5.3577819 
-    1700    9.7185135    9.5922931     5.385856 
-    1750    9.6368481    8.1414594    5.0046079 
-    1800    9.8065782    9.6798036      4.92473 
-    1850    9.0463737    10.024205    5.6495695 
-    1900    9.0774484    10.527582    5.0363426 
-    1950    9.1691461    10.049703    4.8517514 
-    2000    9.7619602    10.049532    5.2088038 
-    2050    9.9203348    9.8056395    5.7699852 
-    2100    9.1455665    9.5864018    5.1410542 
-    2150    8.8501135    9.7917307     5.141824 
-    2200    9.1433685    9.8168548    5.1742441 
-    2250    9.3248968    10.454532    5.5456356 
-    2300    10.210505     9.361499    5.0935226 
-    2350    9.5041186     9.598986    5.2451005 
-    2400     8.968896    9.2811921    4.7799868 
-    2450    9.8201159    10.133892    4.9981817 
-    2500    9.4421084    9.7875766    5.4124809 
-    2550    9.6410643    9.9148309    5.0603288 
-    2600    9.3810676    9.5346849    5.3233836 
-    2650    9.2340337    8.7233538    5.0361302 
-    2700     9.405597    9.7848488    4.7537042 
-    2750    9.9447412    9.2366502    4.9736459 
-    2800    10.189443     9.452684     5.624362 
-    2850    9.6680124    9.0941543    5.0101469 
-    2900    8.4350889    9.1595018    4.7706866 
-    2950    9.0056117    9.3498593    4.7655963 
-    3000    9.4795416    9.7400747    5.4705868 
-    3050    9.6605264    9.4558374    5.1240166 
-    3100     9.681451    9.7966554    5.3174458 
-    3150    9.7887528    9.7371194    4.9349103 
-    3200    9.9720054    9.5592538    5.2306417 
-    3250    10.185023    9.9436037    5.4127312 
-    3300    9.9670676    9.6069307     5.026261 
-    3350    9.0090411    9.5975249    4.8881019 
-    3400    9.6535707     9.748683    4.9933873 
-    3450    9.7774977    9.7570511    4.8512619 
-    3500    9.7250053     10.36386    5.4057249 
-    3550     9.567788     9.773413    5.3936671 
-    3600    9.2094148    9.0211247    5.2328675 
-    3650    9.3512098      9.73407     4.576624 
-    3700     9.159074    9.2611591    5.2996448 
-    3750    9.4772798    8.9792211    5.1007079 
-    3800    9.3898357    9.1150609    5.2126508 
-    3850    9.2466312    9.1460651     4.867472 
-    3900    9.9316993    9.3061137    5.1219265 
-    3950    9.2550913     9.780254     5.371885 
-    4000    10.005356    9.7328972    5.2535791 
-    4050    9.5228242    9.5134113    5.4181393 
-    4100     9.576808    10.082425    5.1272491 
-    4150     10.20265    9.6667058     5.529118 
-    4200    9.9443671     10.09427    5.6163734 
-    4250    9.4956875    9.9462818    5.0820085 
-    4300    10.350144    10.003702    5.1621505 
-    4350    10.119486    9.8691507    5.4913457 
-    4400    9.4991604    10.516185    5.2512264 
-    4450    9.0812854    9.2835603    5.1695714 
-    4500    9.7538478    8.5298834    4.5954607 
-    4550    9.8920394    9.3581299     5.202587 
-    4600    9.2694921    9.3338291     5.201958 
-    4650    10.925818    9.5062049    4.8694531 
-    4700    11.020014    10.130224     5.582409 
-    4750    9.5005142    9.3571561     5.456739 
-    4800    9.6670147    9.6628702    5.0451252 
-    4850     9.134147    9.1308788    4.7950594 
-    4900    9.7466206    8.6171443    4.8716275 
-    4950    9.0397505    9.1996036    5.2010502 
-    5000    9.6898652    9.8914655    5.3959279 
-    5050     10.06771    9.7523891    5.3690408 
-    5100    10.000963    9.6279379    5.4077384 
-    5150    9.8686159    10.179702    5.0686824 
-    5200    9.8866247     9.725152    5.4350049 
-    5250    9.2068346    10.214424    5.3187713 
-    5300     9.713992    9.8069045     5.496359 
-    5350     9.423852     9.364085    5.2144606 
-    5400    9.4350241    9.5584633    5.0339001 
-    5450    10.555124    10.784922    5.1938072 
-    5500    9.4147344     10.33187    5.4360602 
-    5550    9.8514653    9.6575827    5.4959779 
-    5600    9.3138107    9.6592624     4.941387 
-    5650    9.1224809    8.7112257    5.0435936 
-    5700    8.8289158    10.749686    4.8916132 
-    5750    9.7200279    10.030606    5.2033161 
-    5800    9.8439873    9.6289015    5.5131934 
-    5850    9.6257294    9.4128988    4.9196038 
-    5900    9.7490214    9.5776313    5.0301815 
-    5950    9.1430855    10.108944    5.1406243 
-    6000    9.3358644    9.5633737    4.9787073 
-    6050    9.4432774    8.9464304    5.1466052 
-    6100    8.8878373    9.5048946    4.9190238 
-    6150    9.6451898    9.2419823    5.0159841 
-    6200    9.5042173    8.9414307    5.2634247 
-    6250    9.0896505    9.7230651    5.3340322 
-    6300    8.8100599    8.8781352    5.4117914 
-    6350    9.3104601    9.0233294    5.3136432 
-    6400     9.368101    9.6387362    4.7833216 
-    6450    10.334343    9.8384149    5.3606204 
-    6500    9.8824036    10.022627    6.0857086 
-    6550    9.7034443    10.026765      5.17604 
-    6600    9.3757845     9.899268    5.2301359 
-    6650    10.540821      10.4343    5.5287065 
-    6700    9.6317649    9.8923579    5.6045768 
-    6750    9.5982772     10.07897    5.1221451 
-    6800    10.239883    10.189967    5.3167447 
-    6850    10.017271    9.7680902     5.229621 
-    6900    9.6200416    10.129301    5.1998759 
-    6950    9.0361417     8.923798    5.1652612 
-    7000    9.3153521     9.063054    4.6860773 
-    7050    8.6434091    9.0363436    4.7811975 
-    7100    9.4955395    9.3830541     5.022538 
-    7150    9.3392402    9.1847119    5.1544622 
-    7200    9.4676321    9.8370036    4.8854442 
-    7250    9.5115882    10.350324    4.9780525 
-    7300    9.6025583    9.6247917     5.473794 
-    7350    9.8919524    10.049446    4.9816931 
-    7400    9.6814319    9.9410894     5.265078 
-    7450    9.4130955    10.191436    5.2531256 
-    7500    9.8114668    8.8461635    5.0562894 
-    7550    10.321567    9.4730124    5.2043655 
-    7600    9.5059024    9.8330367    5.0749721 
-    7650    10.067084    10.606423    5.5598818 
-    7700    10.896159    10.084281    5.5159718 
-    7750     9.754306    10.162301    5.2475876 
-    7800    9.7278145     9.801009    5.0685504 
-    7850    9.8639905    10.323104    5.2458864 
-    7900    9.7246799    9.1377357    5.1841319 
-    7950    10.381792    9.6977533    5.0977386 
-    8000    9.7265224    9.2999829    4.7925571 
-    8050    9.5203288    9.3144956    4.7539211 
-    8100    9.6900973    9.6614063     5.304712 
-    8150     9.713677    9.9154149    4.8178575 
-    8200    9.4733597    9.8948632     5.036112 
-    8250    9.7783036    9.9554334    5.3355682 
-    8300    9.4034783    9.9156801    5.5539279 
-    8350    9.2984025    9.2013949    5.0753991 
-    8400    9.9299078    9.6166801     5.115776 
-    8450     9.526737    9.3312125    4.7800587 
-    8500     9.581956    10.065906    4.9756092 
-    8550    9.2767953     9.326006    5.3024978 
-    8600     9.799968    8.4660845    5.0199109 
-    8650    9.8985354    10.127852    4.9098064 
-    8700    8.7952691    10.521133    5.6840528 
-    8750    9.8299997    9.5588553    5.3085734 
-    8800    9.0811776    9.5704532    5.1684993 
-    8850    9.8303571    9.7618932    5.1251259 
-    8900    9.9238794    9.9654863    5.2999683 
-    8950    10.851304    9.9682289    5.4133763 
-    9000    9.5523794    9.1890766    5.1469144 
-    9050    9.7461948    8.9611236    4.9490826 
-    9100    10.138917    9.6757567    5.0473544 
-    9150    9.4869835    9.4786575    5.0142464 
-    9200    10.263518    10.079135    5.1493398 
-    9250    9.8691684    9.0908275    5.3221203 
-    9300    9.8586707    9.4177643    5.1525265 
-    9350    9.3375816    9.9167208    5.4846207 
-    9400    9.5603903    9.4813199    4.6237495 
-    9450     10.30892    9.5217736    5.6163214 
-    9500     9.327949    9.9831649    4.8923915 
-    9550    9.8421656    9.3202702    5.3352046 
-    9600    8.8543704    9.4556702    4.6430041 
-    9650    10.103399    9.2161072    4.8658062 
-    9700     9.507811    9.9647378     5.227369 
-    9750    9.4988096    8.9942893    5.2491418 
-    9800    9.8007958     9.234452    5.1740203 
-    9850    9.6029685    10.076042     5.023107 
-    9900    9.4035691     10.13782    5.2775777 
-    9950    9.6517135    10.355994    5.3035779 
-   10000    9.9157616    9.7741952    5.5269431 
-Loop time of 3.47119 on 1 procs for 10000 steps with 500 atoms
-
-Performance: 1244529.812 tau/day, 2880.856 timesteps/s
-99.5% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.53077    | 0.53077    | 0.53077    |   0.0 | 15.29
-Neigh   | 2.219      | 2.219      | 2.219      |   0.0 | 63.93
-Comm    | 0.21866    | 0.21866    | 0.21866    |   0.0 |  6.30
-Output  | 0.0027909  | 0.0027909  | 0.0027909  |   0.0 |  0.08
-Modify  | 0.41956    | 0.41956    | 0.41956    |   0.0 | 12.09
-Other   |            | 0.08042    |            |       |  2.32
-
-Nlocal:    500 ave 500 max 500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    908 ave 908 max 908 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    3489 ave 3489 max 3489 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3489
-Ave neighs/atom = 6.978
-Neighbor list builds = 4567
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:03
diff --git a/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.4 b/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.4
deleted file mode 100644
index 276eb2f443..0000000000
--- a/examples/USER/uef/nvt_uniaxial/log.22Sep17.npt_uniaxial.g++.4
+++ /dev/null
@@ -1,281 +0,0 @@
-LAMMPS (22 Sep 2017)
-# uniaxial NVT deformation of WCA fluid
-
-units		lj
-atom_style	atomic
-
-
-pair_style	lj/cut 1.122562
-read_data       data.wca
-  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  500 atoms
-  reading velocities ...
-  500 velocities
-pair_coeff	1 1 1.0 1.0
-pair_modify     shift yes
-
-neighbor	0.5 bin
-neigh_modify	delay 0
-
-change_box      all triclinic
-  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
-
-fix		1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5
-
-fix             2 all momentum 100 linear 1 1 1
-
-#dump		1 all atom 25 dump.lammpstrj
-
-#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
-
-thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
-
-thermo		50
-run		10000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 1.62256
-  ghost atom cutoff = 1.62256
-  binsize = 0.811281, bins = 11 11 11
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton/tri
-      stencil: half/bin/3d/newton/tri
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 2.71 | 2.71 | 2.71 Mbytes
-Step c_1_press[1] c_1_press[2] c_1_press[3] 
-       0    6.3937851    7.0436438    6.4461087 
-      50    10.369902    10.999889    6.5437384 
-     100    12.411384    13.145871    7.8892802 
-     150     12.88182    12.114068    7.5155182 
-     200    10.375571    10.979773    6.5624056 
-     250    10.158901    10.251273    5.4525068 
-     300    10.011314    9.8371382    5.4031393 
-     350    9.4890008    9.7992108     5.054963 
-     400    9.1715116    9.2647886    4.9600208 
-     450    9.8495961    9.3353483     4.986786 
-     500    9.5903809     8.576173    4.8252116 
-     550    8.8057509    9.7152078    4.9089022 
-     600    8.9743682    10.031277    4.8924072 
-     650    10.233852    9.3059527    5.1977058 
-     700    9.2361906    9.6439971    5.0923762 
-     750    10.449751    9.5911465    5.2548714 
-     800    9.8366858    9.9873885    4.9456956 
-     850    10.266351    9.9620134    5.0602713 
-     900    9.6325811    9.3910947    5.1466627 
-     950    9.1911906    9.1518996    4.8275336 
-    1000    9.2871726    9.8508561    5.2674079 
-    1050    9.7052019    10.291782    5.1603609 
-    1100    9.9425827    10.361848    5.5520588 
-    1150     10.37757    10.265891    5.5997246 
-    1200    9.6367069    10.354451    5.4138749 
-    1250    9.2075006    9.1705136    4.9806417 
-    1300    9.7126123    8.7247301    4.8528533 
-    1350    10.146034    9.8319205    4.8958266 
-    1400      9.19638    9.7052094    5.2332913 
-    1450    9.4667073    8.9014702    4.7073387 
-    1500    9.0949401    9.8381729    4.8904182 
-    1550    10.068959    9.8096692    5.1613658 
-    1600    10.131443    9.7086921    5.0913546 
-    1650    9.9557572    9.9183989    5.2635245 
-    1700    9.3820418    8.6135867    4.9395498 
-    1750    8.9486365    9.3433293    5.2674469 
-    1800    10.352322    10.354432    5.3335153 
-    1850    8.9629784    9.6172224    5.0824828 
-    1900    8.5429652     9.749815    5.1577895 
-    1950    8.9828002    8.9631646    5.0948426 
-    2000    9.4171989    9.7122117    5.1386251 
-    2050     9.767299    9.6146113    4.8965319 
-    2100    10.049399     10.02243    5.3856622 
-    2150    9.2639644     10.09669    5.3020322 
-    2200    9.1916162    10.841127    5.0271109 
-    2250    9.9859708     8.519568      5.24568 
-    2300    9.9462279    9.5850706    5.0632906 
-    2350    9.8043011    9.7605126    5.3148323 
-    2400     9.089818    9.6474522    5.0012486 
-    2450     9.655874    9.3255636    4.8291262 
-    2500    9.0259445    9.3074827    5.1593031 
-    2550    9.1610478    9.7356492    5.0741161 
-    2600    9.3153881    9.3936949    5.4830363 
-    2650    9.6212696     9.598252    4.7172875 
-    2700     9.318906     9.665656    5.1917527 
-    2750    9.6613838    9.7106796    5.1843146 
-    2800    10.231844    9.9407641    4.6940455 
-    2850    10.008093    9.2781076    5.2624957 
-    2900    10.464168     9.808666    5.1457978 
-    2950    9.7080601    9.6972304     5.406456 
-    3000    9.6851209    10.050737    5.1198394 
-    3050    8.9093581     9.213428     5.233108 
-    3100    8.8098921    9.6607476    4.9625331 
-    3150    8.6608386    9.7503441    5.0737533 
-    3200    9.7004403    9.6748778    5.0734462 
-    3250    10.077054    10.318711    5.3233841 
-    3300     10.63887    9.4901739     5.516542 
-    3350    10.232909    9.3407073    5.4989967 
-    3400    9.8854134    9.9542625    5.1982468 
-    3450    9.9388203    9.3394716    4.8135833 
-    3500    9.2514026    9.5857527    5.4605449 
-    3550    8.3940282    9.0549836    4.6951548 
-    3600    8.7696659    9.6262816    4.6302087 
-    3650    9.0695173    8.8520895    5.0814723 
-    3700    9.4700744    9.2777557    4.6825004 
-    3750    9.0221844    9.3407486    5.3984156 
-    3800    9.1478369    9.1420043    5.3024474 
-    3850    9.2652818     9.700053    5.3355364 
-    3900    10.248456    9.2480211    5.2375956 
-    3950    9.8259922    9.6130415    5.5978761 
-    4000     9.404877    9.7931698    5.3767927 
-    4050    10.131713    9.7047295    5.2964594 
-    4100    9.8128638    9.4253237    5.5308166 
-    4150     10.25183    9.1333595    5.1957555 
-    4200    10.449736     9.295762    4.7863033 
-    4250    9.7304858    9.4482515     5.356439 
-    4300    9.2773777    9.4110855    4.9879246 
-    4350    8.9325082    9.3429549    5.0410132 
-    4400    9.2603855    9.7905381    4.7436126 
-    4450    8.7600443    9.9160722     5.196316 
-    4500    9.0824514    10.036035     4.873051 
-    4550    9.3884333    9.6644343    5.1154951 
-    4600    9.8181676    9.6385118    5.3639835 
-    4650    9.1574799    9.5386974    4.7487094 
-    4700    10.275911    9.5383553    5.1084297 
-    4750    9.2476854    9.3353591    5.4773008 
-    4800    9.3422407    9.1931821    4.9210291 
-    4850    9.9033126    9.6443642    5.1334553 
-    4900    9.8469467    9.6836455    5.5101146 
-    4950    10.211229     9.760253    5.0151668 
-    5000    9.3256273    10.109873    5.4129479 
-    5050    9.9704879    9.8504809    5.2191163 
-    5100    9.4820718     9.711504    4.9633504 
-    5150    9.2952171    9.6955742    5.3214246 
-    5200    9.8400791    9.4763906    4.9149518 
-    5250    10.080112    9.5634741    5.1701348 
-    5300    9.4221014    9.8149742    5.3605931 
-    5350    8.8228402    10.121343    5.3192212 
-    5400    9.7318719    10.508763    5.0044083 
-    5450    8.7429847    9.6583774     5.033313 
-    5500    9.9243256    10.239521    5.2956506 
-    5550    9.6088558    9.8555986     5.359257 
-    5600    10.904352     10.72033    5.7874034 
-    5650    9.4774477    9.7246962     5.596949 
-    5700    9.8527139    9.2188245    4.6518586 
-    5750    9.7932375    9.2763721    4.6663307 
-    5800    9.5630073    9.1704583    5.4784197 
-    5850    10.159996    9.5206168    5.0012706 
-    5900    9.1667978    9.6891715    5.1959301 
-    5950    9.2194131    9.2170699    5.1653264 
-    6000    9.5917124    9.2038051    5.1004966 
-    6050    9.4141124    9.9166471    5.0535712 
-    6100    10.231166    9.7746591    5.2399634 
-    6150    9.6054192      9.34446    5.0711646 
-    6200    9.9279645    8.9546561    5.4698039 
-    6250    9.1581437      8.95439    4.9336111 
-    6300    8.9257232    9.0665473     5.188718 
-    6350    9.7685695    9.0822789    4.8454457 
-    6400    9.5140226    9.5073414    5.3420644 
-    6450    9.5379198    9.3316002    5.1940338 
-    6500    10.216584    9.8982859    5.2790157 
-    6550    10.221286    10.913585    5.4521496 
-    6600    10.925166    10.088055    5.2079758 
-    6650    10.012501    9.3870455    5.1740433 
-    6700    10.176139    9.4869588    5.3783369 
-    6750    9.2819415    8.1431975    4.8256476 
-    6800     9.790723    9.7932943    5.3602927 
-    6850    9.1327199    9.8354267    5.1356642 
-    6900     9.240909    9.3854618    5.1767268 
-    6950    10.652806    9.4355671    5.1314851 
-    7000    9.1676917    10.055501    5.2824651 
-    7050    9.6486488    9.1063089    4.9596976 
-    7100    9.3733678    9.5875095    5.0882285 
-    7150     9.282243     9.354934    4.6752644 
-    7200    8.7370777      10.1445    5.0217245 
-    7250     9.563419     9.929442    5.1720916 
-    7300    9.9128346    9.2426863    5.3595023 
-    7350    9.9319949    9.9479477    5.4844629 
-    7400    9.4671739    9.2380048    5.3274217 
-    7450    9.7531193    9.4075641    4.9426738 
-    7500    10.331422    9.4704554    5.3036636 
-    7550    8.7724434     9.663179    4.9492563 
-    7600    10.222748    9.1674852    4.8135992 
-    7650    9.5288583    8.5866929    5.0342955 
-    7700    8.8832847    8.8035037    4.6184473 
-    7750    9.4847076    9.7969656    5.0035855 
-    7800    9.2782486    9.1283641    5.3151299 
-    7850     8.962989    8.7729872    5.0374817 
-    7900    9.6336556    9.4975426    4.9832641 
-    7950    10.125279    10.044247    5.2740873 
-    8000    9.9705097    9.6925988    5.2344188 
-    8050    9.7836318    9.5794261    4.9174534 
-    8100     10.79561     10.04809    5.1604639 
-    8150    9.7261726    10.372878    5.3083843 
-    8200    10.338569     10.08189    5.6555172 
-    8250    9.7833315    9.9834209    5.3790753 
-    8300    9.5857944    9.6052323    5.0689289 
-    8350    9.6706688    9.6189242    4.7725678 
-    8400    10.570423    9.5786093    5.1894242 
-    8450    9.6514599    10.168359    5.0733592 
-    8500    10.273682    9.9179284    5.4014563 
-    8550    9.3120287    10.146837    4.9895115 
-    8600     9.511943     9.644112     5.462624 
-    8650    10.380674    9.1117114     5.156727 
-    8700    10.068596    8.7687113    5.1440814 
-    8750    9.2484971    9.2477678    4.9318794 
-    8800    9.7298469    8.9480303    5.1151321 
-    8850    9.7299502    10.415138    4.7902908 
-    8900    10.966912    10.732962    5.4793574 
-    8950    10.328384    9.9501313    5.6238396 
-    9000    9.7385041    9.8319224    5.1926497 
-    9050    9.7971055    9.5740203    5.1111302 
-    9100    9.7789727    9.9281901    5.1786549 
-    9150    9.9306964    9.3360599    4.9524547 
-    9200    9.8798841    10.240752    5.1691344 
-    9250    10.185445    9.4934917    4.9188964 
-    9300    8.9184663    8.9349408    4.8079511 
-    9350    9.6552187    9.9846949    4.9619969 
-    9400    10.304306    9.2298208    5.2822855 
-    9450    9.8379613    10.041703    5.4186514 
-    9500    10.221443    9.5342818    4.8929802 
-    9550    9.9723047    10.072856    5.4169676 
-    9600    9.3923879    9.2984387    5.4452785 
-    9650    8.9072589    9.7482374    4.7835208 
-    9700    9.8370121    10.205922    5.0385145 
-    9750    9.4274542    9.4653248    5.6340681 
-    9800    9.7668106    9.3265705    5.3154126 
-    9850    10.422549    10.362922     5.361592 
-    9900    9.6264407    9.9790162    5.6381052 
-    9950     10.35018    9.8853593    5.2639184 
-   10000    9.6190853    9.7903758    5.1583115 
-Loop time of 1.32471 on 4 procs for 10000 steps with 500 atoms
-
-Performance: 3261084.476 tau/day, 7548.807 timesteps/s
-98.4% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.1301     | 0.13489    | 0.13886    |   0.9 | 10.18
-Neigh   | 0.5654     | 0.575      | 0.5883     |   1.3 | 43.41
-Comm    | 0.35135    | 0.37147    | 0.38856    |   2.4 | 28.04
-Output  | 0.0028336  | 0.0032777  | 0.004292   |   1.0 |  0.25
-Modify  | 0.16328    | 0.16711    | 0.17231    |   0.8 | 12.61
-Other   |            | 0.07297    |            |       |  5.51
-
-Nlocal:    125 ave 128 max 122 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    477 ave 489 max 469 min
-Histogram: 2 0 0 0 0 1 0 0 0 1
-Neighs:    861 ave 877 max 848 min
-Histogram: 1 0 1 0 0 1 0 0 0 1
-
-Total # of neighbors = 3444
-Ave neighs/atom = 6.888
-Neighbor list builds = 4560
-Dangerous builds = 0
-
-Please see the log.cite file for references relevant to this simulation
-
-Total wall time: 0:00:01
diff --git a/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1 b/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1
new file mode 100644
index 0000000000..0d97a3793a
--- /dev/null
+++ b/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1
@@ -0,0 +1,282 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# uniaxial NVT deformation of WCA fluid
+
+units		lj
+atom_style	atomic
+
+
+pair_style	lj/cut 1.122562
+read_data       data.wca
+  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  500 atoms
+  reading velocities ...
+  500 velocities
+pair_coeff	1 1 1.0 1.0
+pair_modify     shift yes
+
+neighbor	0.5 bin
+neigh_modify	delay 0
+
+change_box      all triclinic
+  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
+
+fix		1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5
+
+fix             2 all momentum 100 linear 1 1 1
+
+#dump		1 all atom 25 dump.lammpstrj
+
+#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
+
+thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
+
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.62256
+  ghost atom cutoff = 1.62256
+  binsize = 0.811281, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes
+Step c_1_press[1] c_1_press[2] c_1_press[3] 
+       0    6.3937851    7.0436438    6.4461087 
+      50    10.369902    10.999889    6.5437384 
+     100    12.411384    13.145871    7.8892802 
+     150     12.88182    12.114068    7.5155182 
+     200    10.375571    10.979773    6.5624056 
+     250    10.158901    10.251273    5.4525068 
+     300    10.011314    9.8371382    5.4031393 
+     350    9.4890008    9.7992108     5.054963 
+     400    9.1715116    9.2647886    4.9600208 
+     450    9.8495961    9.3353483     4.986786 
+     500    9.5903809     8.576173    4.8252116 
+     550    8.8057509    9.7152078    4.9089022 
+     600    8.9743682    10.031277    4.8924072 
+     650    10.233852    9.3059527    5.1977058 
+     700    9.2361906    9.6439971    5.0923763 
+     750    10.449751    9.5911465    5.2548714 
+     800    9.8366857    9.9873885    4.9456956 
+     850    10.266351    9.9620134    5.0602713 
+     900    9.6325813    9.3910946    5.1466624 
+     950    9.1911919    9.1519006    4.8275345 
+    1000    9.2871712    9.8508501    5.2674099 
+    1050    9.7052036    10.291793    5.1603591 
+    1100    9.9425548    10.361827    5.5520486 
+    1150    10.377563    10.265879    5.5997431 
+    1200    9.6368288    10.354415     5.413788 
+    1250    9.2071084    9.1706343    4.9800415 
+    1300    9.7140475     8.725759    4.8536998 
+    1350    10.145943    9.8247688    4.8921964 
+    1400    9.1998769    9.6934121    5.2269945 
+    1450    9.4838819    8.9036871    4.6868425 
+    1500    9.0660596    9.8119073    4.8875027 
+    1550    10.008516    9.8942392    5.2035321 
+    1600    9.7143761    9.9244983    5.3261192 
+    1650    9.7387193    9.6991715    5.3519995 
+    1700    9.7244046    9.6152132    5.3981523 
+    1750    9.5710027    8.0741432    4.9456613 
+    1800    9.9774654    9.6678929    4.9160721 
+    1850    9.8364707    9.6445265     5.314823 
+    1900    9.1249414    9.9271775    5.1286354 
+    1950    9.6652829    9.0384584    5.2340419 
+    2000    9.5265979     10.26158    5.2813427 
+    2050    9.9173922    9.5527322    4.8940699 
+    2100    9.9415753    9.8016834    5.4442305 
+    2150    9.5497688    9.9967881    5.3150264 
+    2200    10.334645    9.9712509     5.361381 
+    2250    9.7205034    9.7973449    5.0447949 
+    2300    9.2264367    9.7244096    5.1908235 
+    2350    9.3549971    8.9425394    5.0163909 
+    2400    9.1923971    8.6026816    4.9142184 
+    2450    9.3318993    9.2876986    5.2092509 
+    2500    9.2703657    9.7375808    4.9579591 
+    2550    9.1967438    10.010085    4.9842759 
+    2600    9.5606002    10.387986    5.7530846 
+    2650     9.609164    9.4442273    5.5362122 
+    2700     9.093698    8.9706057    4.8616368 
+    2750    9.0180363     10.16255    4.7751355 
+    2800    9.8966449    9.6404143    5.2088441 
+    2850    9.7039267    9.6911675    5.1261088 
+    2900    9.2003002    10.333632    5.1375334 
+    2950    9.7470703    9.6392635    5.2311731 
+    3000    9.0259323    9.0011546    5.0023767 
+    3050    9.4620827    9.8701001    5.0220394 
+    3100    9.1559748    9.5498091    5.1765241 
+    3150    10.100442    9.8148718    5.2819275 
+    3200    9.6668354     9.470653    5.3759397 
+    3250    9.3371207    9.3274667    4.9318779 
+    3300     9.091848    9.5112327    5.2200157 
+    3350    9.1269693    9.6133794    5.1310717 
+    3400    9.1027229     9.416857    5.0819883 
+    3450    9.2658402    9.0401432    5.0990609 
+    3500    10.377313    9.5626011     5.202188 
+    3550    9.2947039     9.505877    5.5438005 
+    3600     9.076374    9.5507698    5.1345649 
+    3650    10.333552    9.0606354    5.0508117 
+    3700    9.8802406    9.7469806    5.5088992 
+    3750    9.7912998    9.2253084    5.5336078 
+    3800    9.5643045    9.7834307    5.0726418 
+    3850    9.8238806    9.9734109    5.4322981 
+    3900    9.6518341    9.0747014    5.6444988 
+    3950    9.1405553    9.3360768    4.8837062 
+    4000    9.3606196    9.9269401    5.1633636 
+    4050    9.4414403    9.9408674    5.2935162 
+    4100    9.6568918    9.6131494    5.0426715 
+    4150     9.864223    9.2610429    5.1413271 
+    4200    10.292607    9.2650093    4.9732741 
+    4250    9.7702935    10.274775    5.3607379 
+    4300    9.4790352    8.8735538    4.8580655 
+    4350    9.5504854    10.340269    4.4428322 
+    4400    9.5556697    9.2862997    5.1467218 
+    4450    9.6741368    10.007913    5.3062768 
+    4500     9.938524    9.1645202    5.3414548 
+    4550    9.9970823    9.6116985    5.0880012 
+    4600    10.035008    9.8767746    5.1253207 
+    4650    10.109616    10.971392    5.3742955 
+    4700    10.080373    10.656347    5.4138717 
+    4750    10.252518    10.563308    5.0535706 
+    4800    9.3426418    9.4491805    5.1587548 
+    4850    9.2885747    9.7058018    4.9715619 
+    4900    9.2136015    9.0234401    4.7395994 
+    4950    9.1361149    9.6758285    4.9981501 
+    5000    9.5474982    9.0493007    5.2137701 
+    5050     9.635291    9.7591762    4.8415939 
+    5100    9.5719703    9.5689732    5.1787863 
+    5150    9.4201066    10.449653     5.222846 
+    5200    9.1962218    9.6566128    5.4026011 
+    5250    8.6281903    9.0441148    5.1187247 
+    5300    9.6429057    9.6840319    4.9475686 
+    5350    10.388834     9.417967     5.224683 
+    5400    10.047564    10.073369    5.2814251 
+    5450    9.2430362    9.8508143    5.4960461 
+    5500    9.9812959    9.4140317    5.0437339 
+    5550    10.045822    10.077244    5.3796453 
+    5600    9.6625863    9.5277882    5.0780914 
+    5650    9.0185037    8.8319729    4.7626372 
+    5700      9.16337    9.4156456    4.6766204 
+    5750    9.3777054     9.292911    5.3348738 
+    5800    8.8347896    9.0603847    5.2325469 
+    5850     9.307492    10.066699    4.8439039 
+    5900    9.6261925    9.8782796    5.5750224 
+    5950    8.7773987    9.5456497    5.0858933 
+    6000    9.7327023    9.9029484     5.202036 
+    6050     9.370819    9.3128466    5.3681069 
+    6100    9.4568801    9.3082668    5.1480307 
+    6150    10.336417    9.4569418     5.152047 
+    6200    9.4969856    9.7198161    5.1648394 
+    6250    9.4844976    9.6958021    5.2628856 
+    6300    9.2406959    9.9330467     5.205557 
+    6350    9.9508721    9.4577577    5.1630178 
+    6400    9.6759763    8.9531754     5.274062 
+    6450    9.4062719    8.8404288    5.2379186 
+    6500     9.553735    9.0313724    4.8620144 
+    6550    9.1947496     9.289295     4.834747 
+    6600    9.7299026    9.6968225    4.9198957 
+    6650    10.467984    11.039001    5.0952273 
+    6700    9.8488093    10.142611    5.3922943 
+    6750    9.7484714    9.2403353    4.9210254 
+    6800    8.7424625    9.4374325    5.1391373 
+    6850    8.7654476    9.3003008    5.0486754 
+    6900    9.5001642    9.5361838    5.0300213 
+    6950    9.3807018    9.4573472    4.8452481 
+    7000    9.6055795    10.087276    4.9469866 
+    7050    9.5823321     9.439522    5.2882226 
+    7100    9.8653958    9.4652195    5.7972727 
+    7150    9.9148149    9.2324819     5.049893 
+    7200    8.9502172    8.8138734    4.9123769 
+    7250    8.8968143    9.2721861    5.0210042 
+    7300    10.356078    9.6753595    4.9074775 
+    7350    8.9771028    9.5585959    4.7967768 
+    7400    9.8494816    9.7347288    5.3771897 
+    7450    8.6771311    8.8770175    5.2917845 
+    7500     9.612851    9.1856901    4.8593785 
+    7550    9.4248312    9.5312938    5.1662239 
+    7600    10.284524    9.6561627     5.000118 
+    7650    10.322322    9.8314081    5.6316726 
+    7700    9.3491815     9.103061    4.7351973 
+    7750    9.7524148    9.3729475    5.3109482 
+    7800    9.5120985    9.7507452     4.797863 
+    7850    9.0245453    10.008972    5.0798698 
+    7900    9.7587351    9.5831457    4.9297543 
+    7950    10.122804    9.2235043    5.4337028 
+    8000    9.7771103     9.567766    5.1963733 
+    8050    9.7806594    10.298163     4.895879 
+    8100    10.448182    10.515639    5.3289479 
+    8150    9.8343933    10.008423    5.3820067 
+    8200    9.5352286    10.361378    4.7917095 
+    8250    9.5998667     9.548455    5.3325917 
+    8300    8.6800132    8.9296257    5.1167116 
+    8350    9.5002383    9.3974769    4.7360673 
+    8400    9.1465982    9.9114657    4.8444228 
+    8450    9.4052506    9.8253802    5.0409773 
+    8500    9.8500797    9.3743233    5.4810341 
+    8550    10.397958    9.9150945    5.2311945 
+    8600    10.050509    10.469527    5.3628699 
+    8650    9.8765677    9.9046431    5.2097096 
+    8700    9.4719729    9.4809771    5.1901684 
+    8750    10.655877    9.3045558    5.0291182 
+    8800    9.3839631    9.0770977    5.4169863 
+    8850    8.5563701    9.5609016    4.9363846 
+    8900    9.1540031    9.1138085    5.0313556 
+    8950    9.0683988    9.0612961    5.4303556 
+    9000    9.0034656    9.3514159    5.1108578 
+    9050    9.6175649    10.008811    5.4158707 
+    9100    9.6318001    9.8674826    5.1353951 
+    9150    9.6137113    9.0624145    4.8918834 
+    9200    9.6383354    9.6193304    5.1957729 
+    9250    9.9634948    9.5555506    5.1157666 
+    9300    9.4959396    9.2081906    4.7966165 
+    9350    9.4990471    9.6393468     5.038926 
+    9400    9.8650474    9.5013204    5.1687108 
+    9450    10.096601    9.7576279    5.1541738 
+    9500    10.287174    9.1309869    5.2725889 
+    9550    9.6880559     10.46627    5.2567677 
+    9600    9.4560894    10.118705     5.504487 
+    9650    9.4243792    9.1251893     5.356545 
+    9700    9.2088034    9.5449084    4.7599797 
+    9750      9.18092    9.4732177    4.7610484 
+    9800    9.7077531    9.3400296    5.1136769 
+    9850    9.2906762    9.2543264    5.1607448 
+    9900    9.3504492    9.4905057    4.8533019 
+    9950    10.121028    9.4893638    5.0876648 
+   10000    9.6330262    9.8877889     5.255801 
+Loop time of 3.55576 on 1 procs for 10000 steps with 500 atoms
+
+Performance: 1214931.314 tau/day, 2812.341 timesteps/s
+98.4% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.48327    | 0.48327    | 0.48327    |   0.0 | 13.59
+Neigh   | 2.239      | 2.239      | 2.239      |   0.0 | 62.97
+Comm    | 0.24938    | 0.24938    | 0.24938    |   0.0 |  7.01
+Output  | 0.0024805  | 0.0024805  | 0.0024805  |   0.0 |  0.07
+Modify  | 0.49693    | 0.49693    | 0.49693    |   0.0 | 13.98
+Other   |            | 0.08466    |            |       |  2.38
+
+Nlocal:    500 ave 500 max 500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    894 ave 894 max 894 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    3473 ave 3473 max 3473 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3473
+Ave neighs/atom = 6.946
+Neighbor list builds = 4571
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:03
diff --git a/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4 b/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4
new file mode 100644
index 0000000000..475aa9a02d
--- /dev/null
+++ b/examples/USER/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4
@@ -0,0 +1,282 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# uniaxial NVT deformation of WCA fluid
+
+units		lj
+atom_style	atomic
+
+
+pair_style	lj/cut 1.122562
+read_data       data.wca
+  orthogonal box = (0 0 0) to (8.39798 8.39798 8.39798)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  500 atoms
+  reading velocities ...
+  500 velocities
+pair_coeff	1 1 1.0 1.0
+pair_modify     shift yes
+
+neighbor	0.5 bin
+neigh_modify	delay 0
+
+change_box      all triclinic
+  triclinic box = (0 0 0) to (8.39798 8.39798 8.39798) with tilt (0 0 0)
+
+fix		1 all nvt/uef temp 0.722 0.722 0.5 erate -0.5 -0.5
+
+fix             2 all momentum 100 linear 1 1 1
+
+#dump		1 all atom 25 dump.lammpstrj
+
+#dump		2 all cfg/uef 25 dump.*.cfg mass type xs ys zs
+
+thermo_style    custom step c_1_press[1] c_1_press[2] c_1_press[3]
+
+thermo		50
+run		10000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 1.62256
+  ghost atom cutoff = 1.62256
+  binsize = 0.811281, bins = 11 11 11
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton/tri
+      stencil: half/bin/3d/newton/tri
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 2.71 | 2.71 | 2.71 Mbytes
+Step c_1_press[1] c_1_press[2] c_1_press[3] 
+       0    6.3937851    7.0436438    6.4461087 
+      50    10.369902    10.999889    6.5437384 
+     100    12.411384    13.145871    7.8892802 
+     150     12.88182    12.114068    7.5155182 
+     200    10.375571    10.979773    6.5624056 
+     250    10.158901    10.251273    5.4525068 
+     300    10.011314    9.8371382    5.4031393 
+     350    9.4890008    9.7992108     5.054963 
+     400    9.1715116    9.2647886    4.9600208 
+     450    9.8495961    9.3353483     4.986786 
+     500    9.5903809     8.576173    4.8252116 
+     550    8.8057509    9.7152078    4.9089022 
+     600    8.9743682    10.031277    4.8924072 
+     650    10.233852    9.3059527    5.1977058 
+     700    9.2361906    9.6439971    5.0923762 
+     750    10.449751    9.5911465    5.2548714 
+     800    9.8366858    9.9873884    4.9456956 
+     850    10.266351    9.9620134    5.0602713 
+     900    9.6325811    9.3910947    5.1466627 
+     950    9.1911905    9.1518997    4.8275336 
+    1000    9.2871725    9.8508562    5.2674079 
+    1050    9.7052017    10.291782    5.1603605 
+    1100    9.9425819     10.36185     5.552059 
+    1150    10.377567    10.265893    5.5997253 
+    1200    9.6367074    10.354441    5.4138714 
+    1250    9.2075345    9.1705121    4.9806597 
+    1300    9.7125304    8.7247864    4.8527961 
+    1350    10.146279    9.8320637    4.8957733 
+    1400    9.1958551    9.7053733    5.2334299 
+    1450    9.4652827    8.9011309    4.7064679 
+    1500     9.097059    9.8376542    4.8890705 
+    1550    10.073762    9.8105951    5.1618299 
+    1600    10.132035    9.7140421    5.0910485 
+    1650    9.9272143    9.8919667    5.1764704 
+    1700     9.387078    8.5379185    4.9433787 
+    1750    9.2411549    9.6783579    5.1290917 
+    1800    10.111692    9.9975429      4.96325 
+    1850    9.4723913    9.3032011    5.0282162 
+    1900    9.1909638    9.8626554    4.9377276 
+    1950    9.5697796    9.7975713    4.8435878 
+    2000    9.8478931    9.0884861    5.2329856 
+    2050    9.4412451    9.3925057    5.0522524 
+    2100    9.9067445    9.8587735     4.979452 
+    2150    10.200525    9.3061345    5.2583418 
+    2200    9.7020113    9.5542846    5.5306109 
+    2250    9.6915356    10.520416    5.3194622 
+    2300    9.2391264     9.464931    5.0772628 
+    2350    10.054609    9.7850417     5.653202 
+    2400    9.3803459    9.4323134    4.7562131 
+    2450    9.1007052    9.6904074    5.2520835 
+    2500    9.2586085    9.1371198    5.1371392 
+    2550     9.091608    9.3685259    5.1482359 
+    2600    8.9237293    9.0406832    5.2104216 
+    2650    9.7360268    9.2519429    5.0398315 
+    2700    9.9929147     9.036125    4.9901821 
+    2750    9.2907663    9.3352821    4.9289845 
+    2800    9.5368804    10.008157    4.8400379 
+    2850     9.278721    9.5887435    5.3877385 
+    2900    9.6424072     9.329667    4.6934542 
+    2950    9.1689315    9.9502359    5.2742219 
+    3000    9.6407238    9.6896783    5.4236624 
+    3050    9.4180757    9.6335563    4.9475952 
+    3100    9.3014748    9.8883475    5.3334153 
+    3150    9.2596884    9.3730863    4.7044615 
+    3200    9.4852847    10.063705    5.1115729 
+    3250    9.5837854    9.8570045    5.2152566 
+    3300      10.4346    9.5070868    5.3051491 
+    3350    9.2432868    9.1515564    5.1465518 
+    3400    9.9697276    9.4093982      4.82531 
+    3450    10.209003    10.231731    5.0156036 
+    3500    10.308668    10.368321    5.8799821 
+    3550    9.4034117    9.7554506    5.2690776 
+    3600    9.3545829    8.9994226    5.0278441 
+    3650    8.7888087    9.1237694    5.0935882 
+    3700    9.0666265    9.1732984     4.877327 
+    3750    9.4200226    8.6735321    4.8452306 
+    3800     9.465348    9.4091671       5.0179 
+    3850    8.9727774    9.0192234    4.8767313 
+    3900     9.436289    10.157156     5.269109 
+    3950    8.5421593    9.4062573    5.2140073 
+    4000    9.3051483    8.8716005    4.7590488 
+    4050    9.0535105    9.1280971    5.1646893 
+    4100    9.5480831    10.259875    5.1875536 
+    4150    9.9237867    10.269757    5.6394637 
+    4200    9.7126407    9.5984958    5.2415146 
+    4250     10.12528    9.5182979    5.5850325 
+    4300    8.9818181     9.144527    5.0107697 
+    4350    9.3098797    9.8024806    4.8397827 
+    4400    9.2427164     9.699184    5.1366641 
+    4450    9.9356359    10.651145    5.1151886 
+    4500    9.7524551    9.9912434    5.2412686 
+    4550    10.078703    9.5328151    5.2060043 
+    4600    9.3983698       9.6152    4.9376041 
+    4650    9.9963375    9.5887427    4.9306202 
+    4700    10.012303    9.7114835    5.0668394 
+    4750    9.6449888     9.496676     5.299027 
+    4800    9.7912528    9.6515788    5.1308053 
+    4850    10.063515    9.4960168    5.2149877 
+    4900    9.5951954    9.2870056     4.928229 
+    4950     10.20955    10.184708    5.2096074 
+    5000    10.732623    9.8250159    5.3978002 
+    5050    10.439323    9.6161959    4.9561115 
+    5100     10.26424    9.4611487    5.6919308 
+    5150    9.4638719    9.8167726    5.1475905 
+    5200    9.8482876    9.4899672    5.1930896 
+    5250    9.7150245    9.6183215     4.920446 
+    5300     8.722617    9.3382522    4.7819079 
+    5350    9.0836368    9.4113687    5.1447731 
+    5400    9.6207733    9.5737842    5.0414277 
+    5450    9.3552951    9.3288804    5.2373326 
+    5500    9.2143176     9.024929    4.6883468 
+    5550    10.372758    9.1381198    4.8012855 
+    5600    9.5520148    9.7896053    5.1547238 
+    5650    9.6980784    10.951142    5.0241161 
+    5700    10.611679    9.6523346    5.5326608 
+    5750    9.1742649    9.6494073    5.5851624 
+    5800     9.953586    9.9617747    4.7007718 
+    5850    10.702009    11.067871    5.1330231 
+    5900    9.8673283    9.7543507    5.2206639 
+    5950     10.16692    10.060199    5.0400651 
+    6000    9.9341281    9.6212713    5.1712869 
+    6050    9.9281773    9.4342521    5.4660461 
+    6100     9.567855    9.7513309    4.7343918 
+    6150     8.795041    9.9236745    5.0766601 
+    6200     8.692139    9.1845134    5.1633685 
+    6250    9.0701253    9.7521268    4.8172065 
+    6300    9.4583102    9.3188937    5.1569152 
+    6350    8.6428721    9.2062944    4.9110217 
+    6400    9.3818856    9.4262935    4.9271667 
+    6450    9.4895013    9.5741062    5.0173634 
+    6500    9.9822263    9.1903289    5.4171946 
+    6550    10.010639    9.4613863    5.6106556 
+    6600     8.847069     9.180382    5.0007521 
+    6650    8.8684678    9.3900848    4.6876604 
+    6700    9.7575413    10.054084    4.6587676 
+    6750    10.115414    9.4226624    5.4854908 
+    6800    9.8529501    9.4369048    5.2366418 
+    6850     10.25008    10.202239     4.929119 
+    6900    10.405896     10.46272    5.2636294 
+    6950    9.3342275    9.9980868    5.4788629 
+    7000    9.9933544    9.3374018    4.8181134 
+    7050    10.115734    10.072388    5.6490688 
+    7100    10.240083    9.4087789    4.6102705 
+    7150    9.2524065    9.7472716    5.0925137 
+    7200     9.264148    9.9229773    5.0557618 
+    7250     10.05753    9.2914209    4.6450615 
+    7300    10.147183    9.8973958    5.1521105 
+    7350    10.557244    9.5876788    5.2394875 
+    7400    9.0062903    9.1139724    4.9104291 
+    7450    10.026016    9.1880235    5.0812661 
+    7500     9.770617    9.7098832    5.0578123 
+    7550     8.865352    9.5783696     5.127484 
+    7600    10.606037    9.9212374    5.1338765 
+    7650    9.2293794      9.74635    5.3595397 
+    7700    10.136014    10.510875    4.8300321 
+    7750    9.9974018    9.5151713    5.0779843 
+    7800    10.168972    9.5247801    5.1045215 
+    7850    10.487704    9.9748481    4.9660756 
+    7900    9.7134418    9.6505576    5.3677417 
+    7950    9.5874439    9.6696709    4.7790879 
+    8000    8.9025499    9.3980684    4.9181099 
+    8050    8.9385458    9.4324137    4.8704298 
+    8100     9.429405    9.6231169    4.8712228 
+    8150     9.471228    9.1507346    4.9513613 
+    8200    9.0945803    9.2568274    4.9583007 
+    8250    9.0486717    10.276196    5.0469026 
+    8300    9.5270225    9.3578605    5.0959132 
+    8350    10.019204    10.255987    5.3215538 
+    8400    9.3804378     9.572985    5.3114559 
+    8450    9.7622725    10.933028    5.0042871 
+    8500     9.980802    10.387463     5.624029 
+    8550    10.177065    10.736812    5.6835861 
+    8600    9.4853991    9.4572634    5.2662391 
+    8650    10.021383    9.6398577    5.0548533 
+    8700    10.417762    10.551382    5.1401022 
+    8750    9.2932185    9.6410107    5.1252967 
+    8800    10.411184    10.005891    5.5464139 
+    8850    9.1394978    9.0334923    5.2709589 
+    8900    9.2577227    9.1885981    4.7441276 
+    8950    9.5694417     9.420939    5.1766071 
+    9000    9.3252516    9.6541534      4.76132 
+    9050    10.129917     10.38226    5.5151239 
+    9100    9.9469348    8.7671772    5.1494135 
+    9150    9.6919911    8.6522594    5.0200023 
+    9200    9.4052126    9.3008012    5.0004827 
+    9250     9.599934    9.5285434    4.6368794 
+    9300    9.9175442    9.8256117    4.9899989 
+    9350    9.5819019    9.7558559    5.2795764 
+    9400    10.133518    10.376403    5.2600124 
+    9450    9.6970983     9.672896    5.3803885 
+    9500    9.6338577    9.8443768    5.5143033 
+    9550    9.0843344     10.00471    5.3399662 
+    9600    9.5235958    9.7746182    5.0639295 
+    9650    9.6467057    9.3897673    5.0335239 
+    9700    10.070033    8.9260067    4.9535787 
+    9750    9.9158669    10.292546    4.9937494 
+    9800    9.5814408    9.8764893    5.2999138 
+    9850    9.4928079    9.2662598    5.5435789 
+    9900    8.8291515    8.9602162      5.08972 
+    9950    9.5382191    9.9064194    5.0468896 
+   10000    10.212615    9.4812174    5.0704059 
+Loop time of 1.34397 on 4 procs for 10000 steps with 500 atoms
+
+Performance: 3214349.906 tau/day, 7440.625 timesteps/s
+95.0% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.11223    | 0.11662    | 0.12747    |   1.8 |  8.68
+Neigh   | 0.57426    | 0.59024    | 0.62229    |   2.5 | 43.92
+Comm    | 0.30675    | 0.35437    | 0.37755    |   4.8 | 26.37
+Output  | 0.0025589  | 0.0054465  | 0.014064   |   6.7 |  0.41
+Modify  | 0.17845    | 0.18351    | 0.19314    |   1.3 | 13.65
+Other   |            | 0.09378    |            |       |  6.98
+
+Nlocal:    125 ave 132 max 120 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Nghost:    462.75 ave 467 max 457 min
+Histogram: 1 0 0 0 0 1 0 0 1 1
+Neighs:    863.25 ave 919 max 834 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 3453
+Ave neighs/atom = 6.906
+Neighbor list builds = 4557
+Dangerous builds = 0
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:00:01

From 57204a0f660b1f5c1e72e37127d78962bfebdf1c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 7 Dec 2018 10:38:01 -0500
Subject: [PATCH 264/273] reformat recently changed paragraphs in the manual

---
 doc/src/Build_extras.txt | 101 ++++++++++++++++++++-------------------
 doc/src/fix_plumed.txt   |  20 ++++----
 2 files changed, 62 insertions(+), 59 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 99d52c29e4..60bb5bbfea 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -735,66 +735,69 @@ from LAMMPS using the generic "plumed installation instructions"_plumedinstall.
 :link(plumedinstall,http://plumed.github.io/doc-master/user-doc/html/_installation.html)
 
 PLUMED can be linked into MD codes in three different modes: static,
-shared, and runtime.  With the "static" mode, all the code that PLUMED requires
-is linked statically into LAMMPS. LAMMPS is then fully
-independent from the PLUMED installation, but you have to
-rebuild/relink it in order to update the PLUMED code inside it.  With
-the "shared" linkage mode, LAMMPS is linked to a shared library
-that contains the PLUMED code.  This library should preferably be installed in a
-globally accessible location. When PLUMED is linked in this way the same library
-can be used by multiple MD packages.  Furthermore, the PLUMED library LAMMPS uses can be updated
-without the need for a recompile of LAMMPS for as
-long as the shared PLUMED library is ABI-compatible. 
+shared, and runtime.  With the "static" mode, all the code that PLUMED
+requires is linked statically into LAMMPS. LAMMPS is then fully
+independent from the PLUMED installation, but you have to rebuild/relink
+it in order to update the PLUMED code inside it.  With the "shared"
+linkage mode, LAMMPS is linked to a shared library that contains the
+PLUMED code.  This library should preferably be installed in a globally
+accessible location. When PLUMED is linked in this way the same library
+can be used by multiple MD packages.  Furthermore, the PLUMED library
+LAMMPS uses can be updated without the need for a recompile of LAMMPS
+for as long as the shared PLUMED library is ABI-compatible.
 
-The third linkage
-mode is "runtime" which allows the user to specify which PLUMED kernel should be used at runtime
-by using the PLUMED_KERNEL environment
-variable. This variable should point to the location of the libplumedKernel.so
-dynamical shared object, which is then loaded at runtime. This mode of linking is
-particularly convenient for doing PLUMED development and comparing
-multiple PLUMED versions as these sorts of comparisons can be done without recompiling the hosting MD
-code. All three linkage modes are supported by LAMMPS on selected
-operating systems (e.g. Linux) and using either CMake or traditional
-make build. The "static" mode should be the most portable, while the "runtime"
-mode support in LAMMPS makes the most assumptions about operating
-system and compiler environment. If one mode does not work, try a
-different one, switch to a different build system, consider
-a global PLUMED installation or consider downloading PLUMED during the LAMMPS build.
+The third linkage mode is "runtime" which allows the user to specify
+which PLUMED kernel should be used at runtime by using the PLUMED_KERNEL
+environment variable. This variable should point to the location of the
+libplumedKernel.so dynamical shared object, which is then loaded at
+runtime. This mode of linking is particularly convenient for doing
+PLUMED development and comparing multiple PLUMED versions as these sorts
+of comparisons can be done without recompiling the hosting MD code. All
+three linkage modes are supported by LAMMPS on selected operating
+systems (e.g. Linux) and using either CMake or traditional make
+build. The "static" mode should be the most portable, while the
+"runtime" mode support in LAMMPS makes the most assumptions about
+operating system and compiler environment. If one mode does not work,
+try a different one, switch to a different build system, consider a
+global PLUMED installation or consider downloading PLUMED during the
+LAMMPS build.
 
 [CMake build]:
 
-When the "-D PKG_USER-PLUMED" flag is included in the cmake command you must ensure that 
-GSL is installed in locations that are specified in your environment.  There
-are then two additional commands that control the manner in which PLUMED is obtained and linked
-into LAMMPS.
+When the "-D PKG_USER-PLUMED" flag is included in the cmake command you
+must ensure that GSL is installed in locations that are specified in
+your environment.  There are then two additional commands that control
+the manner in which PLUMED is obtained and linked into LAMMPS.
 
 -D DOWNLOAD_PLUMED=value   # download PLUMED for build, value = no (default) or yes
 -D PLUMED_MODE=value       # Linkage mode for PLUMED, value = static (default), shared, or runtime :pre
 
 If DOWNLOAD_PLUMED is set to "yes", the PLUMED library will be
-downloaded (the version of PLUMED that will be downloaded is hard-coded to a vetted version of
-PLUMED, usually a recent stable release version) and built inside the
-CMake build directory.  If DOWNLOAD_PLUMED is set to "no" (the default),
-CMake will try to detect and link to an installed version of PLUMED. 
-For this to work, the PLUMED library has to be installed into a
-location where the pkg-config tool can find it or the PKG_CONFIG_PATH
-environment variable has to be set up accordingly.  PLUMED should be installed 
-in such a location if you compile it using the default make; make install commands.
+downloaded (the version of PLUMED that will be downloaded is hard-coded
+to a vetted version of PLUMED, usually a recent stable release version)
+and built inside the CMake build directory.  If DOWNLOAD_PLUMED is set
+to "no" (the default), CMake will try to detect and link to an installed
+version of PLUMED.  For this to work, the PLUMED library has to be
+installed into a location where the pkg-config tool can find it or the
+PKG_CONFIG_PATH environment variable has to be set up accordingly.
+PLUMED should be installed in such a location if you compile it using
+the default make; make install commands.
 
 The PLUMED_MODE setting determines the linkage mode for the PLUMED
-library.  The allowed values for this flag are "static" (default), "shared", or "runtime".
-For a discussion of PLUMED linkage modes, please see above.  When
-DOWNLOAD_PLUMED is enabled the static linkage mode is recommended.
+library.  The allowed values for this flag are "static" (default),
+"shared", or "runtime".  For a discussion of PLUMED linkage modes,
+please see above.  When DOWNLOAD_PLUMED is enabled the static linkage
+mode is recommended.
 
 [Traditional make]:
 
 PLUMED needs to be installed before the USER-PLUMED package is installed
-so that LAMMPS can find the right settings when compiling and linking the LAMMPS executable.
-You can either download and build PLUMED inside the LAMMPS plumed library folder or use
-a previously installed PLUMED library and point LAMMPS to its
-location. You also have to choose the linkage mode: "static" (default),
-"shared" or "runtime".  For a discussion of PLUMED linkage modes, please
-see above.
+so that LAMMPS can find the right settings when compiling and linking
+the LAMMPS executable.  You can either download and build PLUMED inside
+the LAMMPS plumed library folder or use a previously installed PLUMED
+library and point LAMMPS to its location. You also have to choose the
+linkage mode: "static" (default), "shared" or "runtime".  For a
+discussion of PLUMED linkage modes, please see above.
 
 Download/compilation/configuration of the plumed library can be done
 from the src folder through the following make args:
@@ -808,10 +811,10 @@ make lib-plumed args="-p /usr/local -m shared"  # use existing PLUMED installati
 
 Note that 2 symbolic (soft) links, "includelink" and "liblink" are
 created in lib/plumed that point to the location of the PLUMED build to
-use. A new file lib/plumed/Makefile.lammps is also created with
-settings suitable for LAMMPS to compile and link PLUMED using the desired
-linkage mode. After this step is completed, you can install the
-USER-PLUMED package and compile LAMMPS in the usual manner:
+use. A new file lib/plumed/Makefile.lammps is also created with settings
+suitable for LAMMPS to compile and link PLUMED using the desired linkage
+mode. After this step is completed, you can install the USER-PLUMED
+package and compile LAMMPS in the usual manner:
 
 make yes-user-plumed
 make machine :pre
diff --git a/doc/src/fix_plumed.txt b/doc/src/fix_plumed.txt
index eff6c88327..97b3150a0b 100644
--- a/doc/src/fix_plumed.txt
+++ b/doc/src/fix_plumed.txt
@@ -32,11 +32,10 @@ enhance the sampling of phase space.
 
 The documentation included here only describes the fix plumed command
 itself.  This command is LAMMPS specific, whereas most of the
-functionality implemented in PLUMED will work with a range of
-MD codes, and when PLUMED is used as a stand alone code for analysis.
-The full "documentation for PLUMED"_plumeddocs is available online and
-included in the PLUMED source code.  The PLUMED library development is
-hosted at
+functionality implemented in PLUMED will work with a range of MD codes,
+and when PLUMED is used as a stand alone code for analysis.  The full
+"documentation for PLUMED"_plumeddocs is available online and included
+in the PLUMED source code.  The PLUMED library development is hosted at
 "https://github.com/plumed/plumed2"_https://github.com/plumed/plumed2
 A detailed discussion of the code can be found in "(PLUMED)"_#PLUMED.
 
@@ -54,11 +53,12 @@ have been set.
 
 The {group-ID} entry is ignored. LAMMPS will always pass all the atoms
 to PLUMED and there can only be one instance of the plumed fix at a
-time. The way the plumed fix is implemented ensures that the minimum amount of information
-required is communicated.  Furthermore, PLUMED supports multiple, completely independent
-collective variables, multiple independent biases and multiple
-independent forms of analysis.  There is thus really no restriction in
-functionality by only allowing only one plumed fix in the LAMMPS input.
+time. The way the plumed fix is implemented ensures that the minimum
+amount of information required is communicated.  Furthermore, PLUMED
+supports multiple, completely independent collective variables, multiple
+independent biases and multiple independent forms of analysis.  There is
+thus really no restriction in functionality by only allowing only one
+plumed fix in the LAMMPS input.
 
 The {plumedfile} keyword allows the user to specify the name of the
 PLUMED input file.  Instructions as to what should be included in a

From 4078c7897e442a64ec27f161f52a2479dfd4b259 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 8 Dec 2018 15:00:14 -0500
Subject: [PATCH 265/273] fix permissions

---
 src/MAKE/MACHINES/Makefile.cori2 | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 mode change 100755 => 100644 src/MAKE/MACHINES/Makefile.cori2

diff --git a/src/MAKE/MACHINES/Makefile.cori2 b/src/MAKE/MACHINES/Makefile.cori2
old mode 100755
new mode 100644

From 802bf4bc1fa89c3197f323ee064d97afbd735252 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 8 Dec 2018 15:00:33 -0500
Subject: [PATCH 266/273] update .gitignore for recently added files

---
 src/.gitignore | 44 ++++++++++++++++++++++++++++++++++++++++++--
 1 file changed, 42 insertions(+), 2 deletions(-)

diff --git a/src/.gitignore b/src/.gitignore
index acba20b79d..13aeee4d6e 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -225,6 +225,10 @@
 /atom_vec_template.h
 /body_nparticle.cpp
 /body_nparticle.h
+/body_rounded_polygon.cpp
+/body_rounded_polygon.h
+/body_rounded_polyhedron.cpp
+/body_rounded_polyhedron.h
 /bond_class2.cpp
 /bond_class2.h
 /bond_fene.cpp
@@ -309,8 +313,12 @@
 /compute_pressure_cylinder.h
 /compute_pressure_grem.cpp
 /compute_pressure_grem.h
+/compute_ptm_atom.cpp
+/compute_ptm_atom.h
 /compute_rigid_local.cpp
 /compute_rigid_local.h
+/compute_smd_triangle_vertices.cpp
+/compute_smd_triangle_vertices.h
 /compute_spec_atom.cpp
 /compute_spec_atom.h
 /compute_stress_mop.cpp
@@ -421,6 +429,8 @@
 /fix_bond_react.h
 /fix_bond_swap.cpp
 /fix_bond_swap.h
+/fix_client_md.cpp
+/fix_client_md.h
 /fix_cmap.cpp
 /fix_cmap.h
 /fix_deposit.cpp
@@ -445,6 +455,8 @@
 /fix_ehex.h
 /fix_event.cpp
 /fix_event.h
+/fix_event_hyper.cpp
+/fix_event_hyper.h
 /fix_event_prd.cpp
 /fix_event_prd.h
 /fix_event_tad.cpp
@@ -463,6 +475,12 @@
 /fix_gpu.h
 /fix_grem.cpp
 /fix_grem.h
+/fix_hyper.cpp
+/fix_hyper.h
+/fix_hyper_global.cpp
+/fix_hyper_global.h
+/fix_hyper_local.cpp
+/fix_hyper_local.h
 /fix_imd.cpp
 /fix_imd.h
 /fix_ipi.cpp
@@ -626,6 +644,10 @@
 /fix_ttm.h
 /fix_tune_kspace.cpp
 /fix_tune_kspace.h
+/fix_wall_body_polygon.cpp
+/fix_wall_body_polygon.h
+/fix_wall_body_polyhedron.cpp
+/fix_wall_body_polyhedron.h
 /fix_wall_colloid.cpp
 /fix_wall_colloid.h
 /fix_wall_ees.cpp
@@ -647,6 +669,8 @@
 /group_ndx.h
 /ndx_group.cpp
 /ndx_group.h
+/hyper.cpp
+/hyper.h
 /improper_class2.cpp
 /improper_class2.h
 /improper_cossq.cpp
@@ -671,6 +695,8 @@
 /lj_sdk_common.h
 /math_complex.h
 /math_vector.h
+/message.cpp
+/message.h
 /mgpt_*.cpp
 /mgpt_*.h
 /msm.cpp
@@ -688,8 +714,14 @@
 /pair_airebo.h
 /pair_airebo_morse.cpp
 /pair_airebo_morse.h
-/pair_body.cpp
-/pair_body.h
+/pair_atm.cpp
+/pair_atm.h
+/pair_body_nparticle.cpp
+/pair_body_nparticle.h
+/pair_body_rounded_polygon.cpp
+/pair_body_rounded_polygon.h
+/pair_body_rounded_polyhedron.cpp
+/pair_body_rounded_polyhedron.h
 /pair_bop.cpp
 /pair_bop.h
 /pair_born_coul_long.cpp
@@ -1028,6 +1060,14 @@
 /remap_wrap.h
 /restart_mpiio.cpp
 /restart_mpiio.h
+/scafacos.cpp
+/scafacos.h
+/server.cpp
+/server.h
+/server_mc.cpp
+/server_mc.h
+/server_md.cpp
+/server_md.h
 /smd_kernels.h
 /smd_material_models.cpp
 /smd_material_models.h

From 8f95cdcb2727eaa747ba0605a29cdba48e121e83 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 9 Dec 2018 16:24:06 -0500
Subject: [PATCH 267/273] small update to the fix rigid/meso command docs

---
 doc/src/fix_rigid_meso.txt | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/doc/src/fix_rigid_meso.txt b/doc/src/fix_rigid_meso.txt
index d86d359f1d..0819fdb2fb 100644
--- a/doc/src/fix_rigid_meso.txt
+++ b/doc/src/fix_rigid_meso.txt
@@ -160,7 +160,7 @@ unaffected by interactions with other particles.  Note that if you
 expect a rigid body not to move or rotate by using these keywords, you
 must insure its initial center-of-mass translational or angular
 velocity is 0.0. Otherwise the initial translational or angular
-momentum the body has will persist.
+momentum, the body has, will persist.
 
 An xflag, yflag, or zflag set to {off} means turn off the component of
 force or torque in that dimension.  A setting of {on} means turn on
@@ -287,9 +287,10 @@ bodies.  The number of columns is 28.  Thus for each rigid body, 28
 values are stored: the xyz coords of the center of mass (COM), the xyz
 components of the COM velocity, the xyz components of the force acting
 on the COM, the components of the 4-vector quaternion representing the
-orientation of the rigid body, the xyz components of the angular momentum
+orientation of the rigid body, the xyz components of the angular velocity
 of the body around its COM, the xyz components of the torque acting on the
-COM, the 3 principal components of the moment of inertia and the xyz image
+COM, the 3 principal components of the moment of inertia, the xyz components
+of the angular momentum of the body around its COM, and the xyz image
 flags of the COM.
 
 The center of mass (COM) for each body is similar to unwrapped

From b6b813459bddedaa11faee95debeb8c89c77bbae Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 11:04:52 -0500
Subject: [PATCH 268/273] update example logfiles for USER-DRUDE package

---
 .../butane/log.27Nov18.butane.lang.g++.1      | 193 ++++++++++++
 .../butane/log.27Nov18.butane.lang.g++.4      | 193 ++++++++++++
 .../drude/butane/log.27Nov18.butane.nh.g++.1  | 199 ++++++++++++
 .../drude/butane/log.27Nov18.butane.nh.g++.4  | 199 ++++++++++++
 .../butane/log.butane.lang.18Jul15.linux.1    | 171 -----------
 .../butane/log.butane.lang.18Jul15.linux.4    | 171 -----------
 .../butane/log.butane.nh.18Jul15.linux.3      | 177 -----------
 .../butane/log.butane.nh.18Jul15.linux.4      | 177 -----------
 .../ethanol/log.27Nov18.ethanol.lang.g++.1    | 277 +++++++++++++++++
 .../ethanol/log.27Nov18.ethanol.lang.g++.4    | 277 +++++++++++++++++
 .../ethanol/log.27Nov18.ethanol.nh.g++.1      | 286 ++++++++++++++++++
 .../ethanol/log.27Nov18.ethanol.nh.g++.4      | 286 ++++++++++++++++++
 .../ethanol/log.ethanol.lang.8Jul15.linux.1   | 254 ----------------
 .../ethanol/log.ethanol.lang.8Jul15.linux.4   | 254 ----------------
 .../ethanol/log.ethanol.nh.8Jul15.linux.1     | 263 ----------------
 .../ethanol/log.ethanol.nh.8Jul15.linux.4     | 263 ----------------
 .../swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1  | 246 +++++++++++++++
 .../swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4  | 246 +++++++++++++++
 .../swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1    | 252 +++++++++++++++
 .../swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4    | 252 +++++++++++++++
 .../swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.1 | 230 --------------
 .../swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.4 | 230 --------------
 .../swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.1   | 236 ---------------
 .../swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.4   | 236 ---------------
 .../toluene/log.27Nov18.toluene.lang.g++.1    |  14 +
 .../toluene/log.27Nov18.toluene.lang.g++.4    |  14 +
 .../toluene/log.27Nov18.toluene.nh.g++.1      |  14 +
 .../toluene/log.27Nov18.toluene.nh.g++.4      |  14 +
 .../toluene/log.toluene.lang.11Aug17.linux.1  | 251 ---------------
 .../toluene/log.toluene.lang.11Aug17.linux.4  | 251 ---------------
 .../toluene/log.toluene.nh.11Aug17.linux.1    | 259 ----------------
 .../toluene/log.toluene.nh.11Aug17.linux.4    | 259 ----------------
 32 files changed, 2962 insertions(+), 3682 deletions(-)
 create mode 100644 examples/USER/drude/butane/log.27Nov18.butane.lang.g++.1
 create mode 100644 examples/USER/drude/butane/log.27Nov18.butane.lang.g++.4
 create mode 100644 examples/USER/drude/butane/log.27Nov18.butane.nh.g++.1
 create mode 100644 examples/USER/drude/butane/log.27Nov18.butane.nh.g++.4
 delete mode 100644 examples/USER/drude/butane/log.butane.lang.18Jul15.linux.1
 delete mode 100644 examples/USER/drude/butane/log.butane.lang.18Jul15.linux.4
 delete mode 100644 examples/USER/drude/butane/log.butane.nh.18Jul15.linux.3
 delete mode 100644 examples/USER/drude/butane/log.butane.nh.18Jul15.linux.4
 create mode 100644 examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.1
 create mode 100644 examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.4
 create mode 100644 examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.1
 create mode 100644 examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.4
 delete mode 100644 examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.1
 delete mode 100644 examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.4
 delete mode 100644 examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.1
 delete mode 100644 examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.4
 create mode 100644 examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1
 create mode 100644 examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4
 create mode 100644 examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1
 create mode 100644 examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4
 delete mode 100644 examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.1
 delete mode 100644 examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.4
 delete mode 100644 examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.1
 delete mode 100644 examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.4
 create mode 100644 examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.1
 create mode 100644 examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.4
 create mode 100644 examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.1
 create mode 100644 examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.4
 delete mode 100644 examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1
 delete mode 100644 examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4
 delete mode 100644 examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1
 delete mode 100644 examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4

diff --git a/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.1 b/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.1
new file mode 100644
index 0000000000..0302966447
--- /dev/null
+++ b/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.1
@@ -0,0 +1,193 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 butane system for drude polarizability example (Langevin)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
+pair_modify mix geometric tail yes
+kspace_style pppm 1.0e-4
+
+read_data data.butane
+  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  4250 bonds
+  reading angles ...
+  6000 angles
+  reading dihedrals ...
+  6750 dihedrals
+  5 = max # of 1-2 neighbors
+  8 = max # of 1-3 neighbors
+  12 = max # of 1-4 neighbors
+  17 = max # of special neighbors
+
+comm_modify vel yes
+
+group gBUTANE molecule 1:250
+4500 atoms in group gBUTANE
+group gCORES type 1 2 3
+3500 atoms in group gCORES
+group gDRUDES type 4 5
+1000 atoms in group gDRUDES
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    * thole 1.368000
+pair_coeff    2    * thole 1.368000
+pair_coeff    4    * thole 1.368000
+pair_coeff    5    * thole 1.368000
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 260.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gCORES  create ${vTEMP} 12345
+velocity gCORES  create 260 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N D D
+
+fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
+  0 = # of size 2 clusters
+  500 = # of size 3 clusters
+  500 = # of size 4 clusters
+  0 = # of frozen angles
+
+fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
+fix fNPH all nve
+
+compute cTEMP all temp/drude
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 50
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.367867
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.031354
+  estimated relative force accuracy = 9.44215e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 79507 46656
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 17
+New max number of 1-2 to 1-4 neighbors: 17 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 8 8 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 26.29 | 26.29 | 26.29 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    4439.7916    55742.797    334.61375    18.435655 
+      50    1.8285224    3442.9216    2047.8425    187.41713    1395.0792    844.61103    802.43438    114.10967            0     -765.532    595242.44   -594842.98     3027.409    55742.797     200.4343    152.51723 
+     100    3.7075663    2949.9137    1973.6229    180.62461    976.29073     358.0742    923.62856    174.43734            0   -919.88297    595306.76   -594866.72     2009.106    55742.797    229.49986     50.10998 
+     150    5.5383921    2885.0697    1951.4547    178.59578    933.61499    234.26452    991.10197    194.44106            0   -910.03339    595293.22   -594869.38    4963.8801    55742.797    240.13548    14.311317 
+     200    7.4217758     2890.343    1901.2801    174.00384    989.06297    227.57533    1077.5605    200.01467            0   -943.83325    595298.11   -594870.36    2977.5804    55742.797    237.27186    5.1150968 
+     250    9.2994335     2922.348    1945.2702    178.02978    977.07781    212.26144    1127.8726    194.65284            0    -984.2934    595297.59   -594871.01    1592.2372    55742.797    243.81864    2.4147813 
+     300    11.125204     2986.575     2013.159    184.24291    973.41608    212.85963    1130.6272    194.90599            0   -992.98724     595299.3   -594871.29    2816.8628    55742.797    252.63444     1.681279 
+     350     12.99769    3051.4916    1978.4541    181.06675    1073.0375    228.43411    1195.4688    205.43169            0   -982.55178    595297.25      -594871    1408.7973    55742.797    248.34887    1.4666749 
+     400    14.865399    3011.3983    1995.0047    182.58145    1016.3936    237.79955    1167.8185    197.49857            0   -1014.9362    595298.99   -594870.78    1456.5007    55742.797    250.45674    1.3981189 
+     450    16.681866     3010.262    1976.9744    180.93133    1033.2876     216.3478    1196.7189    197.65964            0   -1005.6015    595298.72   -594870.56     1296.528    55742.797     248.1869    1.4022273 
+     500    18.553431    3051.4554     2022.049    185.05652    1029.4064    220.84993    1196.1502    199.57249            0   -1014.3775    595298.27   -594871.05    2481.7571    55742.797    253.85835    1.3999256 
+     550    20.416665    3086.0021    2018.9226     184.7704    1067.0796    221.95877    1215.9767     213.3405            0   -1012.5564    595299.48   -594871.12    1694.9376    55742.797    253.47686    1.3683935 
+     600     22.27849    3110.9928    2030.8992    185.86649    1080.0935    220.35725    1253.9571    208.13083            0   -1030.4314    595298.96   -594870.88   -76.102661    55742.797    254.95682    1.4397403 
+     650    24.087152     3154.373    2024.8469    185.31258    1129.5261    221.85968     1283.352    210.69451            0   -1015.2311    595299.67   -594870.82    1280.5683    55742.797    254.20302    1.4194509 
+     700    25.941822      3133.85    2054.2045    187.99938    1079.6454    225.19338    1242.7819    192.54094            0   -1010.8971     595301.2   -594871.18     696.8538    55742.797     257.8878    1.4422435 
+     750     27.79477    3189.0815    2103.7507    192.53381    1085.3308    219.46949    1243.7676    203.10695            0   -1010.2442    595299.93    -594870.7    483.46393    55742.797    264.14441    1.3796789 
+     800     29.64589     3173.663    2053.4832    187.93336    1120.1799    219.59931    1256.2721    218.76191            0   -1003.0067    595299.37   -594870.81    543.09774    55742.797    257.81268    1.4005681 
+     850     31.44585    3221.2873    2083.5215    190.68244    1137.7658     224.0492    1276.9143    219.91997            0    -1011.193    595298.47    -594870.4    143.54962    55742.797    261.60038    1.3772624 
+     900    33.293605      3214.96    2053.8414    187.96614    1161.1187    222.21434    1296.0291    226.57612            0   -1013.6289    595300.61   -594870.68    473.39553    55742.797    257.85596    1.4053153 
+     950    35.166863    3213.1086     2123.777     194.3666    1089.3317    221.79126    1251.6851    200.63798            0   -1014.0889    595300.01    -594870.7    1206.8497    55742.797    266.62111    1.4935247 
+    1000    36.983663    3211.3103     2079.738    190.33618    1131.5723     225.4767    1260.2162    204.61245            0   -986.95685     595298.7   -594870.48    787.31501    55742.797     261.0928    1.4615275 
+    1050    38.806926    3199.3221    2095.9148    191.81667    1103.4073    212.62976     1255.417    208.36886            0   -1001.9237    595299.13   -594870.21    239.45594    55742.797    263.14173    1.4246893 
+    1100    40.634771    3199.8694    2067.6467     189.2296    1132.2227    235.50505    1264.2214    198.42446            0   -994.78564    595299.12   -594870.26    830.67515    55742.797    259.58627    1.4225726 
+    1150    42.427903    3172.4663    2083.0988    190.64376    1089.3675    209.20043    1236.7213    204.50261            0   -990.26027    595299.43   -594870.22    1355.1408    55742.797    261.54264     1.389433 
+    1200    44.302469    3178.2153    2055.1801    188.08866    1123.0351    230.76616    1258.2175    205.04893            0   -999.28826    595298.25   -594869.96     819.5423    55742.797    258.01926    1.4189827 
+    1250    46.164956    3224.5367    2108.1449    192.93596    1116.3918    235.56939    1247.0387    212.74774            0   -1007.3896    595298.16   -594869.74   -146.38102    55742.797    264.67477    1.4395372 
+    1300    48.015128    3286.0631    2125.3364    194.50931    1160.7267    236.69229    1272.7247    218.49151            0   -995.46842    595298.38    -594870.1    434.46496    55742.797    266.83295     1.451771 
+    1350     49.79655    3247.1808    2087.4518    191.04214    1159.7291    215.07571     1301.219    211.43766            0   -995.15128    595297.24   -594870.09    1501.3496    55742.797    262.07016      1.44305 
+    1400    51.624074    3194.7716    2041.9251    186.87557    1152.8466    236.94802    1261.0635    209.14663            0   -982.03995    595297.35   -594869.63    346.64925    55742.797    256.31352    1.5208162 
+    1450    53.450535    3229.6083    2087.4545    191.04239    1142.1538    246.85361     1264.077    205.22437            0   -1003.5382    595299.44    -594869.9     278.1536    55742.797    262.08335    1.4087832 
+    1500    55.288627    3249.6608    2089.8541      191.262    1159.8067    238.99337    1274.9502    206.61799            0   -988.99015    595297.98   -594869.75    636.34142    55742.797    262.36618    1.4595924 
+    1550    57.093174    3273.2213    2122.5463    194.25397     1150.675    230.16428    1274.9965     195.7686            0   -979.24728    595298.84   -594869.85    528.01943    55742.797    266.47594    1.4678006 
+    1600    58.978489    3288.6787    2120.7284     194.0876    1167.9503    229.10278    1274.2494    205.30619            0   -969.94195    595298.85   -594869.62    1126.6579    55742.797    266.23416    1.5026913 
+    1650    60.803467    3286.3327    2148.1031    196.59291    1138.2295    234.18582    1256.2009    214.69184            0   -995.41699    595298.38   -594869.81   -457.07393    55742.797    269.67989    1.4977223 
+    1700    62.624963    3296.9487    2092.8432    191.53556    1204.1055    238.05554    1313.8592    213.47968            0   -989.09874    595297.16   -594869.35    981.42569    55742.797     262.7423    1.4593707 
+    1750     64.39829    3310.3958    2097.6547    191.97591    1212.7411    243.56621     1309.681    210.07115            0   -978.63733    595297.78   -594869.72   -41.877565    55742.797    263.31945    1.5344885 
+    1800    66.216881    3229.7417    2079.7567    190.33789     1149.985    226.57585    1276.3941    202.60118            0   -984.26122    595298.62   -594869.94    515.97995    55742.797    261.07174    1.5239416 
+    1850    68.038292    3199.6375    2033.1459     186.0721    1166.4916    242.84458    1267.7768    212.87764            0   -984.52187    595296.72   -594869.21    440.77319    55742.797    255.22287    1.4839954 
+    1900    69.841965    3155.3872    2019.0731    184.78417    1136.3141    213.38104    1263.0105     213.0042            0   -980.43253    595296.92   -594869.57    469.76979    55742.797    253.48524    1.3965366 
+    1950    71.702563    3191.9366    2051.5475    187.75621    1140.3891    211.61608    1278.9441     206.1048            0   -984.04544    595297.56   -594869.79    758.07165    55742.797    257.54478    1.4655839 
+    2000    73.520102    3214.3938    2041.9357    186.87654    1172.4582    237.13198    1275.4194     218.0467            0   -985.25597    595296.76   -594869.64    375.81502    55742.797    256.33161    1.4761528 
+Loop time of 73.5201 on 1 procs for 2000 steps with 4500 atoms
+
+Performance: 1.175 ns/day, 20.422 hours/ns, 27.203 timesteps/s
+99.8% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 50.346     | 50.346     | 50.346     |   0.0 | 68.48
+Bond    | 3.3227     | 3.3227     | 3.3227     |   0.0 |  4.52
+Kspace  | 16.003     | 16.003     | 16.003     |   0.0 | 21.77
+Neigh   | 1.3495     | 1.3495     | 1.3495     |   0.0 |  1.84
+Comm    | 0.33013    | 0.33013    | 0.33013    |   0.0 |  0.45
+Output  | 0.0044131  | 0.0044131  | 0.0044131  |   0.0 |  0.01
+Modify  | 2.1068     | 2.1068     | 2.1068     |   0.0 |  2.87
+Other   |            | 0.05755    |            |       |  0.08
+
+Nlocal:    4500 ave 4500 max 4500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    8703 ave 8703 max 8703 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    860806 ave 860806 max 860806 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 860806
+Ave neighs/atom = 191.29
+Ave special neighs/atom = 13.3333
+Neighbor list builds = 28
+Dangerous builds = 0
+Total wall time: 0:01:13
diff --git a/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.4 b/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.4
new file mode 100644
index 0000000000..3a0f60f3cb
--- /dev/null
+++ b/examples/USER/drude/butane/log.27Nov18.butane.lang.g++.4
@@ -0,0 +1,193 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 butane system for drude polarizability example (Langevin)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
+pair_modify mix geometric tail yes
+kspace_style pppm 1.0e-4
+
+read_data data.butane
+  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
+  2 by 1 by 2 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  4250 bonds
+  reading angles ...
+  6000 angles
+  reading dihedrals ...
+  6750 dihedrals
+  5 = max # of 1-2 neighbors
+  8 = max # of 1-3 neighbors
+  12 = max # of 1-4 neighbors
+  17 = max # of special neighbors
+
+comm_modify vel yes
+
+group gBUTANE molecule 1:250
+4500 atoms in group gBUTANE
+group gCORES type 1 2 3
+3500 atoms in group gCORES
+group gDRUDES type 4 5
+1000 atoms in group gDRUDES
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    * thole 1.368000
+pair_coeff    2    * thole 1.368000
+pair_coeff    4    * thole 1.368000
+pair_coeff    5    * thole 1.368000
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 260.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gCORES  create ${vTEMP} 12345
+velocity gCORES  create 260 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N D D
+
+fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
+  0 = # of size 2 clusters
+  500 = # of size 3 clusters
+  500 = # of size 4 clusters
+  0 = # of frozen angles
+
+fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
+fix fNPH all nve
+
+compute cTEMP all temp/drude
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 50
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.367867
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.031354
+  estimated relative force accuracy = 9.44215e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 26875 11664
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 17
+New max number of 1-2 to 1-4 neighbors: 17 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 8 8 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 16.75 | 17.03 | 17.13 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    4439.7916    55742.797    334.61375    18.435655 
+      50   0.60067916    3418.0026    2021.3092    184.98882    1396.6934    835.43668     808.1357     113.8069            0   -759.89265    595242.48   -594843.28    3040.8412    55742.797    197.07838    152.67751 
+     100    1.1808443    2892.8432    1932.7674    176.88554    960.07578    363.31823    924.84568    164.52097            0   -931.84989    595306.29   -594867.05    1694.4336    55742.797    224.44681     49.87859 
+     150    1.7504072    2833.9225    1947.7257     178.2545    886.19681    243.64601    972.03324    186.73658            0   -941.85405    595295.47   -594869.83     4603.775    55742.797    239.63159     14.40403 
+     200    2.3280952    2870.6299    1920.2424    175.73925    950.38759     226.3737    1061.7175    186.27763            0   -950.17253    595296.43   -594870.24    2606.5041    55742.797    239.64552    5.1468097 
+     250    2.9009523    2894.0913     1933.574    176.95936    960.51728    215.18824    1118.0957    195.43563            0   -993.95102    595296.54    -594870.8    1812.6379    55742.797    242.26101    2.6446653 
+     300    3.4866827    2959.1219    1970.1936    180.31075    988.92834    209.63552    1155.4811    193.64322            0    -996.9511    595297.92    -594870.8    3371.5528    55742.797    247.17325    1.8304564 
+     350    4.1206505    2988.7765    1988.8664    182.01968    999.91007    217.65998    1148.4029    204.96757            0    -996.5586    595296.05   -594870.61    3021.4005    55742.797    249.63956    1.5179762 
+     400    4.7467482    3014.5638    1983.6589    181.54309    1030.9049    225.81008    1174.5083    214.70193            0    -1012.492    595298.89   -594870.51    668.28879    55742.797    249.02834      1.40089 
+     450    5.3385043     3065.528    2028.5299    185.64965    1036.9981    206.85828     1232.536     204.7453            0   -1034.5447    595297.52   -594870.12     1276.895    55742.797    254.65283    1.4568976 
+     500    5.8841732    3087.3359    1998.9143    182.93925    1088.4216    209.84037    1244.2781    211.45124            0   -1004.5214     595297.9   -594870.53    1811.1357    55742.797    250.95893    1.3696214 
+     550     6.495003    3082.7524     2000.662     183.0992    1082.0904    218.46927    1229.7948    204.12764            0   -997.16039    595297.23   -594870.37    2005.0512    55742.797    251.16775     1.399994 
+     600    7.0529547    3089.1148    2008.9702    183.85957    1080.1445    215.63956    1239.6501     205.6559            0   -1008.3414    595297.61   -594870.07    1579.3906    55742.797    252.19307     1.453043 
+     650    7.6147993    3094.7607     1984.215    181.59398    1110.5457     217.2587    1270.5436    217.11567            0   -1021.7236    595297.37   -594870.02    922.17911    55742.797    249.09972    1.3970954 
+     700    8.1847589    3085.7974    1977.7443    181.00179    1108.0531    226.89107    1263.0937    209.93619            0   -1019.8382    595298.21   -594870.24    1358.6744    55742.797    248.27153    1.4348071 
+     750    8.7551639    3098.7075    1990.5214    182.17114     1108.186    210.53964    1263.8112    208.67005            0   -1002.6807    595298.31   -594870.47    1389.4827    55742.797    249.86686    1.4670711 
+     800    9.3312614    3106.7743    2001.1286    183.14191    1105.6457    223.39008    1267.3688    200.94765            0   -1014.1025     595298.4   -594870.36    498.96153    55742.797    251.20537    1.4561965 
+     850    9.9120548    3162.1905    2015.7594     184.4809    1146.4311    238.91403    1296.3319    216.49567            0   -1033.2993    595298.07   -594870.08   -146.24973    55742.797    253.06241    1.4124079 
+     900    10.506582    3151.6622    2017.7351    184.66172    1133.9272    225.66798    1259.6857    214.41352            0   -993.82625    595298.42   -594870.44    855.52595    55742.797    253.32946    1.3630807 
+     950    11.073148    3108.5571    1984.4638    181.61676    1124.0933    219.09683    1258.9728     215.5009            0   -998.11162     595299.1   -594870.46    742.29532    55742.797    249.13228    1.3937456 
+    1000    11.712476    3151.1431    2010.1073    183.96363    1141.0358    234.62673    1262.3296      218.152            0   -1001.9319    595297.94   -594870.08   -15.429859    55742.797    252.31702    1.5039719 
+    1050    12.416933    3154.9906    2025.2409    185.34864    1129.7498    240.28475    1245.2732    211.12104            0   -994.07995    595297.56   -594870.41    220.34341    55742.797    254.21036    1.5313366 
+    1100    13.000971    3146.7058    2015.0512    184.41609    1131.6546    217.69098     1255.773    216.52818            0    -985.5434    595297.52   -594870.32    245.54987    55742.797     252.9731    1.4117211 
+    1150    13.566174    3184.3315    2097.0388    191.91954    1087.2926    210.06417    1226.6616    216.15719            0   -994.73562    595299.65   -594870.51     960.8241    55742.797    263.29333    1.3975188 
+    1200    14.098352    3181.1191    2062.3454    188.74443    1118.7737    228.90526    1255.3357    202.92363            0   -997.73355    595299.52   -594870.18    341.31357    55742.797    258.91222    1.4415835 
+    1250    14.653097    3174.3638    2030.9146     185.8679    1143.4492    239.32477    1267.7689    201.40964            0   -992.67835    595297.78   -594870.16    399.69023    55742.797    254.97189    1.4037218 
+    1300    15.198202    3181.4157    2020.4604    184.91114    1160.9553    213.94195    1283.8134    212.79399            0   -977.52401    595298.12   -594870.19    141.81633    55742.797    253.64065     1.447907 
+    1350    15.763844    3221.4526    2077.8786    190.16601     1143.574    237.97099    1261.8854    206.43835            0   -991.01514    595298.43   -594870.14    293.86155    55742.797    260.85797    1.4643006 
+    1400     16.36341    3273.4082    2117.3713    193.78035    1156.0369    241.63847    1257.3077    215.03947            0   -986.42491     595298.6   -594870.13    881.28305    55742.797    265.82788    1.4598428 
+    1450    16.907335    3277.2159    2086.1619    190.92409     1191.054    245.42292    1289.0177    220.33432            0   -991.71405    595297.92   -594869.93    24.577369    55742.797    261.91752    1.4173689 
+    1500    17.461373    3277.8652    2139.2814    195.78556    1138.5838    230.79453    1253.5268     210.7018            0   -984.94169    595298.66   -594870.16    612.24618    55742.797    268.59444     1.432741 
+    1550    17.996041    3247.9903    2120.4397    194.06118    1127.5505    237.85251    1244.2413    207.38138            0   -989.02975    595297.17   -594870.07    908.40409    55742.797    266.20105    1.4941148 
+    1600    18.546506    3263.2065    2095.2604    191.75678    1167.9461    222.27478    1287.0828    217.80256            0   -988.01164    595299.17   -594870.37    372.09439    55742.797    263.06244    1.4165997 
+    1650    19.087156     3279.007    2102.6708    192.43497    1176.3363    228.35925     1287.432    218.78886            0   -987.87117    595299.94   -594870.32   -277.43091    55742.797     263.9961    1.4129192 
+    1700    19.665064    3297.4084    2103.7436    192.53316    1193.6648    248.40926    1304.8649    202.53258            0    -989.5236    595297.12   -594869.74    1158.9952    55742.797    264.11122    1.4655993 
+    1750    20.367483    3280.0391    2075.6964     189.9663    1204.3427    240.06411    1311.9499    213.18798            0   -987.79028     595296.5   -594869.56    437.83034    55742.797    260.60055    1.4183112 
+    1800    20.942509    3272.2429    2082.8406    190.62013    1189.4023    235.68331    1306.7318    216.11438            0   -997.06553    595297.79   -594869.86    1293.8956    55742.797    261.49937    1.4181999 
+    1850    21.546463    3288.8649    2088.0429    191.09624     1200.822    239.22801    1297.8732    214.15066            0   -979.04152    595298.01   -594869.39    217.43385    55742.797    262.15237    1.4245994 
+    1900    22.118972    3213.0018     2032.382    186.00219    1180.6198    222.35796    1278.9261    222.52754            0    -969.8068    595296.01   -594869.39    563.16684    55742.797    255.16077     1.393322 
+    1950    22.701752    3228.1804    2084.1556    190.74048    1144.0248    232.43889    1247.3333    216.54358            0   -981.18306    595298.59    -594869.7   -309.06733    55742.797    261.65433    1.4460719 
+    2000    23.402514    3297.5065    2091.6171    191.42335    1205.8894    238.75396     1287.293    220.47084            0   -968.78447    595297.97   -594869.81    128.84944    55742.797    262.59803    1.4363623 
+Loop time of 23.4026 on 4 procs for 2000 steps with 4500 atoms
+
+Performance: 3.692 ns/day, 6.501 hours/ns, 85.461 timesteps/s
+96.1% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 12.545     | 13.094     | 13.896     |  14.0 | 55.95
+Bond    | 0.83177    | 0.90776    | 0.96459    |   5.1 |  3.88
+Kspace  | 6.3904     | 7.1918     | 7.7297     |  18.8 | 30.73
+Neigh   | 0.38941    | 0.38974    | 0.38988    |   0.0 |  1.67
+Comm    | 0.65148    | 0.70795    | 0.7821     |   5.6 |  3.03
+Output  | 0.0028274  | 0.0036304  | 0.0057163  |   2.0 |  0.02
+Modify  | 1.0483     | 1.0571     | 1.0693     |   0.9 |  4.52
+Other   |            | 0.05109    |            |       |  0.22
+
+Nlocal:    1125 ave 1207 max 1003 min
+Histogram: 1 0 0 0 0 1 0 0 1 1
+Nghost:    5763 ave 5904 max 5656 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Neighs:    214633 ave 220347 max 204542 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+
+Total # of neighbors = 858532
+Ave neighs/atom = 190.785
+Ave special neighs/atom = 13.3333
+Neighbor list builds = 28
+Dangerous builds = 0
+Total wall time: 0:00:23
diff --git a/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.1 b/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.1
new file mode 100644
index 0000000000..fbbe14192e
--- /dev/null
+++ b/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.1
@@ -0,0 +1,199 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 butane system for drude polarizability example (Nose-Hoover)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
+pair_modify mix geometric tail yes
+kspace_style pppm 1.0e-4
+
+read_data data.butane
+  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  4250 bonds
+  reading angles ...
+  6000 angles
+  reading dihedrals ...
+  6750 dihedrals
+  5 = max # of 1-2 neighbors
+  8 = max # of 1-3 neighbors
+  12 = max # of 1-4 neighbors
+  17 = max # of special neighbors
+
+group gBUTANE molecule 1:250
+4500 atoms in group gBUTANE
+group gCORES type 1 2 3
+3500 atoms in group gCORES
+group gDRUDES type 4 5
+1000 atoms in group gDRUDES
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    * thole 1.368000
+pair_coeff    2    * thole 1.368000
+pair_coeff    4    * thole 1.368000
+pair_coeff    5    * thole 1.368000
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 260.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gCORES  create ${vTEMP} 12345
+velocity gCORES  create 260 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N D D
+
+fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
+  0 = # of size 2 clusters
+  500 = # of size 3 clusters
+  500 = # of size 4 clusters
+  0 = # of frozen angles
+
+comm_modify vel yes
+compute cTEMP_CORE gCORES temp/com
+compute cTEMP all temp/drude
+
+fix fDIRECT all drude/transform/direct
+fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
+fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
+fix fNVT1 gCORES nvt temp 260 260 100.0
+fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
+fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
+fix fNVT2 gDRUDES nvt temp 1 1 20.0
+fix fINVERSE all drude/transform/inverse
+
+fix fMOMENTUM all momentum 100 linear 1 1 1
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 50
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.367867
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.031354
+  estimated relative force accuracy = 9.44215e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 79507 46656
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 17
+New max number of 1-2 to 1-4 neighbors: 17 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 8 8 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 26.29 | 26.29 | 26.29 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    4439.7916    55742.797    334.61375    18.435655 
+      50    1.9199426    2090.3465    1466.1274    134.17896    624.21909    190.60044    660.09649     113.3603            0    -768.0633    595300.82    -594872.6    2826.2298    55742.797    184.22006   0.60185015 
+     100    3.8672287    2131.9775    1633.3979    149.48744    498.57958    179.65934    694.88741    164.06284            0   -972.81644    595305.26   -594872.47     1226.789    55742.797     205.4291   0.16019587 
+     150    5.7598403    2177.6381    1711.4959    156.63492    466.14214    134.74039    700.59918    168.27759            0   -965.58407    595300.38   -594872.27    4413.0226    55742.797    215.26856   0.12192183 
+     200    7.7044377    2233.5218    1730.4556     158.3701    503.06611    188.43014     712.9189    165.88668            0    -988.5136     595295.4   -594871.06    2113.5946    55742.797    217.61368   0.22886584 
+     250    9.6830325     2297.301    1773.2292    162.28471    524.07183    151.53589     821.1354    166.81416            0   -1042.1458    595297.16   -594870.43    1173.0574    55742.797      222.691    1.0389647 
+     300    11.612487    2368.3956     1891.828    173.13879    476.56753    142.49028    789.96852     154.5939            0   -1037.1885    595297.25   -594870.54    2520.9226    55742.797    236.85673     3.051144 
+     350    13.534112    2414.4805    1843.9331    168.75548    570.54737    181.42276    808.67959    163.12794            0   -1005.9572     595293.4   -594870.13    2879.5958    55742.797    231.57282    1.0738202 
+     400    15.432559    2466.7093    1924.3089    176.11142    542.40037    167.48008    817.71904    181.25315            0   -1050.6473    595296.37   -594869.77    494.79722    55742.797    241.94266   0.38534823 
+     450    17.325742    2522.7871    1875.8855    171.67974    646.90166    133.40905    944.20903    180.31147            0   -1037.0957     595295.5   -594869.43    63.401476    55742.797    235.86638   0.34369113 
+     500    19.162983     2580.277    1955.7507    178.98895    624.52624    185.08446    827.39298    175.04156            0   -984.94513    595290.88   -594868.93    3484.9214    55742.797    245.79119   0.67067789 
+     550    21.070935    2640.6835    1866.0349    170.77823    774.64852    176.89611    988.92025    176.49761            0   -991.07213    595292.32   -594868.91    1773.3487    55742.797    234.10561    1.7344182 
+     600    22.994624    2690.8564    1876.0664     171.6963    814.79004    186.23916    1032.0131     182.3033            0   -1010.7649     595293.3    -594868.3    919.72494    55742.797    235.38014    1.7010295 
+     650    24.877667    2732.1824    1963.5421    179.70202    768.64029    165.39218    949.23884    183.81872            0   -951.98446     595290.3   -594868.13    2658.9019    55742.797    246.76774   0.68037803 
+     700    26.759878    2775.7295    1921.9362    175.89427     853.7933    175.21242    987.66711    186.48684            0   -918.75412    595291.36   -594868.18    670.06325    55742.797    241.62283   0.44222016 
+     750    28.615888    2820.0743    2038.1503    186.53011    781.92393    168.58533    929.80575    193.62705            0   -939.93789    595298.09   -594868.25    398.72744    55742.797    256.20117   0.55407341 
+     800    30.410775    2865.9592    1943.5754    177.87467    922.38383    197.16018    1009.2236    201.50387            0   -914.81706    595297.54   -594868.23   -717.10982    55742.797     244.0452    1.2420646 
+     850    32.248099    2909.1134    2101.5572    192.33306    807.55624     195.1889    876.12791    184.47417            0   -876.31499    595296.17   -594868.09    -1403.423    55742.797    263.69793    1.8344087 
+     900    34.102496    2938.1375    2038.9241    186.60092    899.21338    183.32678     989.0166    184.31256            0   -889.86015    595300.05   -594867.63   -1087.2756    55742.797    256.12731    1.0106116 
+     950    35.940632    2965.6943     2007.942    183.76546    957.75234    227.45507    972.71509    206.37948            0   -880.42319    595299.46   -594867.83     -1848.76    55742.797    252.40652   0.53885795 
+    1000    37.768527    2994.2318    2058.0187    188.34845     936.2131    170.68954    965.88084    205.36587            0   -833.14442    595294.86   -594867.44    327.63778    55742.797    258.71295   0.52143526 
+    1050    39.603905    3022.9502    2095.3849    191.76817    927.56532    203.90713    935.91395      205.082            0   -845.07245    595294.32   -594866.59   -355.70498    55742.797    263.25608   0.94199109 
+    1100    41.345196    3051.1765    2047.7198     187.4059    1003.4567    212.39896    989.65688    227.20813            0   -856.11279    595297.04   -594866.74   -1402.0226    55742.797    256.98382     1.677375 
+    1150    43.126233    3071.8156    2127.8628    194.74053    943.95283    188.38429    926.24314    223.28057            0   -821.63214    595294.06   -594866.38    550.31162    55742.797    267.19152     1.343134 
+    1200    44.919531    3087.7694    2015.2957    184.43847    1072.4737    199.90941    1034.9531    215.15479            0   -804.43316    595293.38   -594866.49   -333.57889    55742.797     253.2678   0.70913779 
+    1250    46.708812    3102.5825    2176.9514    199.23308    925.63109    155.81514    956.83605    230.07299            0    -847.4765    595296.65   -594866.26   -932.66378    55742.797    273.66546   0.54750847 
+    1300    48.515239    3116.8403    2087.6042    191.05609    1029.2361    209.96221    974.81036    241.13636            0   -823.38395    595292.74   -594866.03   -825.75374    55742.797    262.34482   0.76176534 
+    1350    50.311301    3131.0791    2089.6528    191.24358    1041.4264    186.48162    998.11153    233.70979            0   -801.36955    595290.06   -594865.57    684.79541    55742.797    262.36803    1.3871258 
+    1400    52.135502     3138.996    2186.2583    200.08485    952.73772    168.60362    957.20176    227.71916            0   -826.52254    595291.08   -594865.34    1796.7314    55742.797    274.47405    1.5135697 
+    1450    53.920154    3139.5791    2010.7381    184.02136     1128.841    192.80138    1074.5202    245.37245            0   -807.31625    595288.01   -594864.55   -16.506503    55742.797     252.6314    0.8772328 
+    1500    55.713369     3143.899    2099.4529    192.14047    1044.4461    186.04036    980.83507    242.01351            0   -784.81179       595285   -594864.63    2343.8872    55742.797    263.89144    0.6124176 
+    1550    57.492258    3149.7317    2086.0668    190.91539    1063.6649    165.80538    1056.0892    230.89557            0   -813.37736    595289.09   -594864.84    2260.7336    55742.797    262.17651   0.69483863 
+    1600     59.30172    3156.5347    2013.4253    184.26729    1143.1093    210.65899    1098.2888    243.95147            0   -835.61974    595290.47   -594864.64   -838.56538    55742.797    252.86557    1.1543025 
+    1650    61.139585    3160.0034    2081.0689    190.45799    1078.9345     212.2197    1005.7495    250.37949            0   -813.72039    595289.15   -594864.85    796.20008    55742.797    261.22489    1.5557795 
+    1700    62.942445    3155.5695    2113.3768    193.41478    1042.1927     146.0358    1019.0909    249.77844            0   -798.16322    595290.59   -594865.14      359.703    55742.797    265.47004    1.0739924 
+    1750    64.762126    3151.7963    2063.5473    188.85442     1088.249    224.89092    997.01992    247.37169            0   -807.87664    595291.82   -594864.98   -1081.2896    55742.797    259.34344   0.69485895 
+    1800    66.592646    3150.4284    2097.9263    192.00076    1052.5021    202.22769    974.42253    248.58755            0   -799.53819    595291.61    -594864.8     94.59915    55742.797    263.68436   0.65251966 
+    1850    68.418504    3153.4497    2106.6304    192.79735    1046.8193    177.57201    971.73173    249.90467            0   -777.13268    595289.76   -594865.02    881.42667    55742.797    264.65056   0.99601086 
+    1900    70.216536    3159.2067    2092.2719    191.48328    1066.9348    198.78887    969.41481    260.03017            0   -787.26086    595290.41   -594864.45    606.42691    55742.797     262.6612    1.4839999 
+    1950    72.044671    3164.5166    2059.5681    188.49025    1104.9485    214.12266    1000.4479    263.39571            0   -799.45144    595291.13   -594864.69   -1248.7635    55742.797    258.62997    1.2624764 
+    2000    73.841754    3171.2996    2080.1586    190.37468    1091.1409    179.21893    996.41501    248.41662            0   -760.00915    595292.04   -594864.94     940.6962    55742.797    261.39988   0.78376244 
+Loop time of 73.8418 on 1 procs for 2000 steps with 4500 atoms
+
+Performance: 1.170 ns/day, 20.512 hours/ns, 27.085 timesteps/s
+98.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 48.171     | 48.171     | 48.171     |   0.0 | 65.23
+Bond    | 3.3962     | 3.3962     | 3.3962     |   0.0 |  4.60
+Kspace  | 16.344     | 16.344     | 16.344     |   0.0 | 22.13
+Neigh   | 1.6599     | 1.6599     | 1.6599     |   0.0 |  2.25
+Comm    | 0.35976    | 0.35976    | 0.35976    |   0.0 |  0.49
+Output  | 0.0045705  | 0.0045705  | 0.0045705  |   0.0 |  0.01
+Modify  | 3.8475     | 3.8475     | 3.8475     |   0.0 |  5.21
+Other   |            | 0.05927    |            |       |  0.08
+
+Nlocal:    4500 ave 4500 max 4500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    10103 ave 10103 max 10103 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    774433 ave 774433 max 774433 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 774433
+Ave neighs/atom = 172.096
+Ave special neighs/atom = 13.3333
+Neighbor list builds = 35
+Dangerous builds = 0
+Total wall time: 0:01:14
diff --git a/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.4 b/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.4
new file mode 100644
index 0000000000..d91bba57b1
--- /dev/null
+++ b/examples/USER/drude/butane/log.27Nov18.butane.nh.g++.4
@@ -0,0 +1,199 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 butane system for drude polarizability example (Nose-Hoover)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
+pair_modify mix geometric tail yes
+kspace_style pppm 1.0e-4
+
+read_data data.butane
+  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
+  2 by 1 by 2 MPI processor grid
+  reading atoms ...
+  4500 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  4250 bonds
+  reading angles ...
+  6000 angles
+  reading dihedrals ...
+  6750 dihedrals
+  5 = max # of 1-2 neighbors
+  8 = max # of 1-3 neighbors
+  12 = max # of 1-4 neighbors
+  17 = max # of special neighbors
+
+group gBUTANE molecule 1:250
+4500 atoms in group gBUTANE
+group gCORES type 1 2 3
+3500 atoms in group gCORES
+group gDRUDES type 4 5
+1000 atoms in group gDRUDES
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    * thole 1.368000
+pair_coeff    2    * thole 1.368000
+pair_coeff    4    * thole 1.368000
+pair_coeff    5    * thole 1.368000
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 260.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gCORES  create ${vTEMP} 12345
+velocity gCORES  create 260 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N D D
+
+fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
+  0 = # of size 2 clusters
+  500 = # of size 3 clusters
+  500 = # of size 4 clusters
+  0 = # of frozen angles
+
+comm_modify vel yes
+compute cTEMP_CORE gCORES temp/com
+compute cTEMP all temp/drude
+
+fix fDIRECT all drude/transform/direct
+fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
+fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
+fix fNVT1 gCORES nvt temp 260 260 100.0
+fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
+fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
+fix fNVT2 gDRUDES nvt temp 1 1 20.0
+fix fINVERSE all drude/transform/inverse
+
+fix fMOMENTUM all momentum 100 linear 1 1 1
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 50
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.367867
+  grid = 36 36 36
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.031354
+  estimated relative force accuracy = 9.44215e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 26875 11664
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 17
+New max number of 1-2 to 1-4 neighbors: 17 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 8 8 8
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 16.75 | 17.03 | 17.13 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    4439.7916    55742.797    334.61375    18.435655 
+      50   0.63524747    2090.3465    1466.1274    134.17896     624.2191    190.60044    660.09649     113.3603            0    -768.0633    595300.82    -594872.6    2826.2298    55742.797    184.22006   0.60185015 
+     100    1.2804167    2131.9774    1633.3979    149.48744    498.57955    179.65934    694.88741    164.06284            0   -972.81644    595305.26   -594872.47     1226.789    55742.797     205.4291   0.16019587 
+     150    1.9264774    2177.6381    1711.4959    156.63492    466.14218    134.74039    700.59917    168.27759            0   -965.58407    595300.38   -594872.27    4413.0227    55742.797    215.26856   0.12192187 
+     200    2.5798194    2233.5217    1730.4557     158.3701    503.06601    188.43014     712.9189    165.88668            0    -988.5136     595295.4   -594871.06    2113.5944    55742.797    217.61368   0.22886584 
+     250     3.234822    2297.3011    1773.2292    162.28471    524.07191     151.5359     821.1354    166.81416            0   -1042.1458    595297.16   -594870.43    1173.0577    55742.797      222.691    1.0389643 
+     300    3.9885037    2368.3956     1891.828    173.13879    476.56759    142.49027    789.96852     154.5939            0   -1037.1885    595297.25   -594870.54    2520.9227    55742.797    236.85673    3.0511439 
+     350    4.7276039    2414.4804    1843.9331    168.75548    570.54727    181.42277     808.6796    163.12794            0   -1005.9572     595293.4   -594870.13    2879.5954    55742.797    231.57282    1.0738212 
+     400    5.3416793    2466.7094    1924.3089    176.11142    542.40044    167.48008    817.71904    181.25315            0   -1050.6473    595296.37   -594869.77    494.79737    55742.797    241.94266   0.38534799 
+     450    6.0018888    2522.7872    1875.8855    171.67974    646.90169    133.40906    944.20903    180.31147            0   -1037.0957     595295.5   -594869.43     63.40141    55742.797    235.86638   0.34369111 
+     500    6.6298664    2580.2771    1955.7507    178.98895    624.52635    185.08445    827.39297    175.04156            0   -984.94513    595290.88   -594868.93    3484.9216    55742.797    245.79119   0.67067791 
+     550    7.2369561    2640.6835     1866.035    170.77823    774.64858    176.89609    988.92025    176.49761            0   -991.07212    595292.32   -594868.91    1773.3486    55742.797    234.10561    1.7344207 
+     600    7.8453741    2690.8569    1876.0664     171.6963     814.7905    186.23916    1032.0131     182.3033            0   -1010.7649     595293.3    -594868.3    919.72487    55742.797    235.38014    1.7010285 
+     650    8.4387105    2732.1825    1963.5421    179.70202    768.64035    165.39219    949.23884    183.81872            0   -951.98446     595290.3   -594868.13    2658.9017    55742.797    246.76774   0.68037827 
+     700    9.0765064    2775.7294    1921.9362    175.89427    853.79318    175.21242    987.66712    186.48684            0   -918.75413    595291.36   -594868.18    670.06264    55742.797    241.62283   0.44222019 
+     750    9.6925657    2820.0741    2038.1504    186.53011    781.92376    168.58531    929.80574    193.62706            0    -939.9379    595298.09   -594868.25    398.72752    55742.797    256.20117   0.55407442 
+     800    10.302839     2865.959    1943.5754    177.87467    922.38359    197.16019    1009.2236    201.50386            0   -914.81706    595297.54   -594868.23   -717.10975    55742.797     244.0452    1.2420644 
+     850    10.916842    2909.1138    2101.5572    192.33306    807.55656    195.18897    876.12792    184.47417            0   -876.31499    595296.17   -594868.09   -1403.4232    55742.797    263.69793    1.8344028 
+     900    11.513051    2938.1376    2038.9242    186.60093    899.21343    183.32681    989.01659    184.31258            0   -889.86018    595300.05   -594867.63   -1087.2761    55742.797    256.12732    1.0106144 
+     950     12.11419    2965.6942     2007.942    183.76546    957.75216    227.45503    972.71506    206.37949            0    -880.4232    595299.46   -594867.83   -1848.7603    55742.797    252.40653   0.53885876 
+    1000    12.740639    2994.2317    2058.0187    188.34845    936.21302    170.68957    965.88085    205.36589            0   -833.14441    595294.86   -594867.44     327.6391    55742.797    258.71295   0.52143283 
+    1050    13.346812    3022.9501    2095.3848    191.76817    927.56526    203.90712    935.91396    205.08197            0   -845.07232    595294.32   -594866.59   -355.70418    55742.797    263.25608   0.94198602 
+    1100    13.938097    3051.1769    2047.7199     187.4059     1003.457    212.39892    989.65684    227.20812            0   -856.11277    595297.04   -594866.74    -1402.022    55742.797    256.98383    1.6773742 
+    1150    14.508841    3071.8157    2127.8626    194.74051    943.95311    188.38445    926.24309    223.28071            0   -821.63207    595294.06   -594866.38    550.31236    55742.797     267.1915    1.3431353 
+    1200    15.110682    3087.7694    2015.2955    184.43845    1072.4739    199.90932    1034.9531    215.15511            0   -804.43314    595293.38   -594866.49   -333.57793    55742.797    253.26777   0.70913778 
+    1250    15.728746    3102.5825    2176.9518    199.23312    925.63076    155.81519    956.83624     230.0728            0   -847.47674    595296.65   -594866.26   -932.66685    55742.797    273.66551   0.54750805 
+    1300    16.365541    3116.8403    2087.6045    191.05612    1029.2357    209.96201    974.81053    241.13608            0   -823.38398    595292.74   -594866.03   -825.75383    55742.797    262.34486   0.76175709 
+    1350    16.943579    3131.0787    2089.6524    191.24354    1041.4264    186.48189    998.11168    233.71019            0   -801.37003    595290.06   -594865.57    684.79151    55742.797    262.36797    1.3871293 
+    1400    17.542898     3138.996    2186.2582    200.08483    952.73785    168.60338    957.20178    227.71944            0   -826.52269    595291.08   -594865.34    1796.7295    55742.797    274.47403    1.5135537 
+    1450    18.144658    3139.5791    2010.7377    184.02132    1128.8414     192.8015    1074.5205    245.37206            0    -807.3159    595288.01   -594864.55   -16.504608    55742.797    252.63135   0.87723467 
+    1500    18.759382    3143.8991    2099.4529    192.14048    1044.4462    186.04014    980.83524    242.01309            0   -784.81131       595285   -594864.63    2343.8986    55742.797    263.89145   0.61241549 
+    1550    19.331644    3149.7316     2086.068     190.9155    1063.6635    165.80546    1056.0893    230.89463            0   -813.37768    595289.09   -594864.84    2260.7364    55742.797    262.17666   0.69483626 
+    1600     19.91757     3156.535    2013.4276     184.2675    1143.1073    210.65881    1098.2892    243.94955            0   -835.62037    595290.47   -594864.64   -838.57356    55742.797    252.86585    1.1542996 
+    1650    20.503137    3160.0031    2081.0656    190.45768    1078.9375     212.2197    1005.7509    250.38023            0   -813.71955    595289.15   -594864.85    796.21731    55742.797    261.22447    1.5557945 
+    1700    21.130273    3155.5677    2113.3761    193.41472    1042.1916      146.036    1019.0909    249.77802            0   -798.16357    595290.59   -594865.14    359.69262    55742.797    265.46995     1.074008 
+    1750    21.735444     3151.796    2063.5487    188.85455    1088.2472    224.89093    997.02075    247.36817            0   -807.87592    595291.82   -594864.98   -1081.2667    55742.797    259.34362   0.69484916 
+    1800    22.302735    3150.4232    2097.9294    192.00105    1052.4938    202.22751    974.42358    248.58229            0   -799.53722     595291.6    -594864.8     94.58692    55742.797    263.68474   0.65252808 
+    1850    22.902581    3153.4477    2106.6272    192.79706    1046.8205    177.57166    971.73469    249.90348            0   -777.13298    595289.76   -594865.02    881.42516    55742.797    264.65016   0.99601444 
+    1900    23.480426    3159.2037    2092.2693    191.48304    1066.9343    198.78895    969.41309    260.03288            0   -787.26163    595290.41   -594864.45    606.40366    55742.797    262.66088    1.4839893 
+    1950    24.086136    3164.5139    2059.5653    188.48999    1104.9485    214.12027    1000.4493    263.39543            0   -799.45067    595291.13   -594864.69   -1248.7209    55742.797    258.62963    1.2624825 
+    2000    24.655188    3171.2963    2080.1555    190.37439    1091.1408    179.21892    996.41486    248.41626            0   -760.00877    595292.04   -594864.94    940.70366    55742.797    261.39948    0.7837686 
+Loop time of 24.6553 on 4 procs for 2000 steps with 4500 atoms
+
+Performance: 3.504 ns/day, 6.849 hours/ns, 81.119 timesteps/s
+96.3% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 11.825     | 12.439     | 13.012     |  12.2 | 50.45
+Bond    | 0.82239    | 0.89713    | 0.95859    |   5.7 |  3.64
+Kspace  | 6.6353     | 7.2001     | 7.8139     |  15.7 | 29.20
+Neigh   | 0.44976    | 0.44994    | 0.45003    |   0.0 |  1.82
+Comm    | 0.55452    | 0.62432    | 0.70013    |   6.6 |  2.53
+Output  | 0.003664   | 0.0043042  | 0.0061252  |   1.6 |  0.02
+Modify  | 2.9457     | 2.959      | 2.9736     |   0.7 | 12.00
+Other   |            | 0.08099    |            |       |  0.33
+
+Nlocal:    1125 ave 1166 max 1096 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost:    5867.25 ave 5956 max 5793 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Neighs:    193608 ave 200510 max 186198 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 774433
+Ave neighs/atom = 172.096
+Ave special neighs/atom = 13.3333
+Neighbor list builds = 35
+Dangerous builds = 0
+Total wall time: 0:00:24
diff --git a/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.1 b/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.1
deleted file mode 100644
index a46d9b7cd5..0000000000
--- a/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.1
+++ /dev/null
@@ -1,171 +0,0 @@
-LAMMPS (18 Jul 2015)
-# 250 butane system for drude polarizability example (Langevin)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.butane
-  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  4250 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6750 dihedrals
-  5 = max # of 1-2 neighbors
-  8 = max # of 1-3 neighbors
-  12 = max # of 1-4 neighbors
-  17 = max # of special neighbors
-
-comm_modify vel yes
-
-group gBUTANE molecule 1:250
-4500 atoms in group gBUTANE
-group gCORES type 1 2 3
-3500 atoms in group gCORES
-group gDRUDES type 4 5
-1000 atoms in group gDRUDES
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    * thole 1.368000
-pair_coeff    2    * thole 1.368000
-pair_coeff    4    * thole 1.368000
-pair_coeff    5    * thole 1.368000
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
-  0 = # of size 2 clusters
-  500 = # of size 3 clusters
-  500 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nve
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.367867
-  grid = 36 36 36
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.031354
-  estimated relative force accuracy = 9.44215e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 79507 46656
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 17
-New max number of 1-2 to 1-4 neighbors: 17 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-Memory usage per processor = 20.1567 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    -353319.1    55742.797    334.61375    18.435655 
-      50    2.8944459    3475.1575    2067.5082    189.21692    1407.6493    846.00752    810.92425    115.58516            0   -764.28457    595242.38   -594842.96    3029.5187    55742.797    202.89871    152.54291 
-     100    5.6009829    2975.2938    1988.4777    181.98411    986.81605    358.65377    931.63831    175.54125            0   -919.10691     595306.8   -594866.71    2010.6143    55742.797    231.36532    50.118891 
-     150    8.2652578    2904.7202    1962.6821    179.62331    942.03808    234.91712    997.34884    195.22618            0   -909.31364    595293.23   -594869.37    4956.5664    55742.797    241.54715    14.313437 
-     200     10.97319     2905.616     1909.813    174.78477    995.80302    228.33514    1082.3513    200.51771            0   -943.19777    595298.16   -594870.37    2973.6338    55742.797    238.34584    5.1137785 
-     250    13.676164    2934.0626    1952.0155     178.6471     982.0471    212.76463    1131.5055    194.94566            0   -983.79846    595297.63      -594871    1591.8677    55742.797    244.66672    2.4161409 
-     300    16.381759    2995.4781    2017.7772    184.66557    977.70088    213.25867    1133.9492    195.13329            0    -992.6543    595299.31   -594871.29    2817.7518    55742.797    253.21545    1.6812532 
-     350     19.14905    3058.4882     1982.338     181.4222    1076.1502    228.54692    1197.9766    205.68279            0   -982.30502    595297.25      -594871    1408.2609    55742.797    248.83728    1.4672371 
-     400    21.914272    3016.5895    1998.3531     182.8879    1018.2363    238.06518     1169.309    197.52924            0   -1014.8678    595298.98   -594870.78    1454.1926    55742.797     250.8778    1.3985907 
-     450    24.629148     3014.232    1979.0496    181.12125    1035.1824    216.45567    1198.2831    197.81853            0   -1005.5029    595298.68   -594870.56    1296.2887    55742.797    248.44786    1.4025051 
-     500    27.390589    3054.4694    2023.8824    185.22432     1030.587    220.97548    1197.2137    199.51957            0   -1014.3543    595298.28   -594871.05    2481.3102    55742.797    254.08894    1.4000969 
-     550    30.147365    3088.0877    2020.1967      184.887    1067.8909    221.93439    1216.8427    213.27263            0   -1012.4867    595299.44   -594871.11    1697.8283    55742.797    253.63701    1.3687703 
-     600    32.854639    3112.7966    2031.7038    185.94013    1081.0928    220.37419    1254.8806    208.09272            0   -1030.3329    595298.95   -594870.87   -75.358619    55742.797    255.05809     1.439614 
-     650    35.725004    3155.4753    2025.6962    185.39031    1129.7792    221.82928    1284.1281    210.16702            0   -1015.1565    595299.63   -594870.82    1286.1601    55742.797    254.30974    1.4197689 
-     700     38.70379    3134.5524    2054.9292     188.0657    1079.6232    225.36387    1243.5643    191.53984            0   -1010.9148    595301.25   -594871.18    700.78109    55742.797    257.97902    1.4421042 
-     750    41.679769    3189.6098    2103.3042    192.49294    1086.3056     219.5641    1243.9772    203.81533            0   -1010.2161    595299.86    -594870.7    482.90086    55742.797    264.08828    1.3795515 
-     800    44.637671    3173.7718    2053.4131    187.92694    1120.3587    219.52183    1256.8457    218.62858            0    -1003.175    595299.34   -594870.81     538.9293    55742.797    257.80398    1.4002525 
-     850    47.531367    3221.5884    2084.0326    190.72922    1137.5559    224.32279    1277.7167    218.74781            0   -1011.3685    595298.54    -594870.4    145.40179    55742.797    261.66451    1.3777132 
-     900    50.379314    3214.7916    2054.2398    188.00261    1160.5518    222.07439     1296.738     225.4151            0   -1013.6054    595300.61   -594870.68    490.09072    55742.797    257.90629    1.4047863 
-     950    53.038527    3213.4974    2122.2134     194.2235     1091.284    221.85551    1252.3002    201.89089            0   -1014.1089    595300.04   -594870.69    1203.4321    55742.797    266.42418    1.4941572 
-    1000    55.653448    3212.7244    2079.8287    190.34449    1132.8956    225.42816    1261.5078    204.71764            0   -986.95829    595298.68   -594870.48    790.47665    55742.797    261.10437    1.4611106 
-    1050    58.290098    3216.1124    2106.2454    192.76212    1109.8669    213.54607    1261.1068    207.93437            0   -1001.5715    595299.05    -594870.2    69.145866    55742.797    264.43815    1.4332898 
-    1100    60.921228    3218.0797    2082.4185     190.5815    1135.6611    236.95827    1266.8625    198.25038            0   -995.08857    595298.88    -594870.2    694.35787    55742.797    261.43907    1.4374087 
-    1150    63.510285    3208.3968    2119.1968    193.94742       1089.2    210.20908    1236.1825    202.19163            0   -988.56762    595299.35   -594870.17    1528.4475    55742.797    266.08185    1.3950176 
-    1200    66.140576    3219.1289     2078.071    190.18362    1141.0579    234.57015    1268.2146    206.93186            0   -997.01686    595298.32   -594869.97    939.70203    55742.797    260.89628    1.4263352 
-    1250    68.774998    3268.5006    2115.3231     193.5929    1153.1775    241.50662    1262.3711    220.71001            0   -1000.1626    595298.37   -594869.62   -187.61926    55742.797    265.57695    1.4418423 
-    1300    71.409732     3324.099    2138.7146    195.73368    1185.3844     242.3031    1279.7915    223.94399            0   -989.04901    595298.47   -594870.08    258.69655    55742.797    268.51674    1.4497832 
-    1350    73.990336    3290.8471    2103.0993    192.47419    1187.7477    219.60844    1312.8653    221.57552            0   -993.69832    595297.61   -594870.21    1651.4259    55742.797    264.03877    1.4428477 
-    1400    76.620059    3227.0141    2052.6998    187.86167    1174.3143    236.01325    1272.4804    217.65692            0    -979.6779     595297.5   -594869.66    595.11702    55742.797    257.67276    1.5108922 
-    1450    79.249466    3253.5975     2107.984    192.92124    1145.6135    248.51645    1261.8304    208.79164            0   -1002.8333    595299.15   -594869.84    170.12671    55742.797    264.66781    1.4041436 
-    1500    81.830899    3276.1976    2101.6206    192.33886     1174.577    242.38394      1288.61     204.9722            0    -989.7383    595298.02   -594869.67    619.26135    55742.797    263.84288    1.4691362 
-    1550    84.449908    3271.9376    2117.6914    193.80965    1154.2463    234.62432    1268.5368    202.02117            0   -979.66071    595298.65   -594869.92    568.43047    55742.797    265.86458    1.4693675 
-    1600    87.073373    3281.1387    2105.1447    192.66139     1175.994    219.69265    1288.3244    205.52796            0   -966.68015    595298.79   -594869.67    1351.6273    55742.797    264.27256    1.5056051 
-    1650    89.695136     3287.675    2131.7955    195.10045    1155.8795    235.54527    1262.9178    220.26583            0   -991.68887    595298.56   -594869.72   -750.34342    55742.797    267.63101    1.4905169 
-    1700    92.342235    3295.9626    2079.4982    190.31424    1216.4644    232.74928    1329.4691    218.51323            0   -992.04439    595297.16   -594869.38    589.94184    55742.797    261.06357    1.4590401 
-    1750    94.911541    3315.2639    2097.2605    191.93983    1218.0035    241.24927    1312.3575    214.88139            0   -978.98823    595298.34   -594869.84   -92.971422    55742.797    263.26817    1.5389785 
-    1800    97.525025    3241.5219    2086.8653    190.98847    1154.6566    221.03432    1282.1774    209.03793            0   -986.54668       595299   -594870.05    456.17335    55742.797    261.96332    1.5311996 
-    1850    100.13804    3222.7069    2040.0335    186.70245    1182.6734    242.74754    1272.8794    221.80974            0   -982.51665    595296.99   -594869.24    279.00233    55742.797    256.09213    1.4766233 
-    1900    102.70693    3190.3766    2032.3946    186.00335    1157.9819    213.06329     1268.187    220.21025            0   -971.50314    595297.54   -594869.51    499.15225    55742.797    255.16226    1.3935863 
-    1950    105.30868    3208.3096    2053.9844    187.97923    1154.3252    212.46296    1277.2726    210.16078            0   -974.19087    595298.44   -594869.82    807.22906    55742.797    257.85261    1.4622515 
-    2000     107.9105    3231.8811    2053.6913     187.9524    1178.1899    229.11239    1280.6492     220.1084            0   -979.25259    595297.02   -594869.45    474.05197    55742.797    257.80782    1.4833297 
-Loop time of 107.911 on 1 procs for 2000 steps with 4500 atoms
-
-Pair  time (%) = 65.8442 (61.0173)
-Bond  time (%) = 16.6061 (15.3887)
-Kspce time (%) = 20.7451 (19.2244)
-Neigh time (%) = 1.24307 (1.15195)
-Comm  time (%) = 0.386346 (0.358024)
-Outpt time (%) = 0.00603366 (0.00559135)
-Other time (%) = 3.07976 (2.854)
-
-Nlocal:    4500 ave 4500 max 4500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    8739 ave 8739 max 8739 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    860638 ave 860638 max 860638 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 860638
-Ave neighs/atom = 191.253
-Ave special neighs/atom = 13.3333
-Neighbor list builds = 28
-Dangerous builds = 0
diff --git a/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.4 b/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.4
deleted file mode 100644
index 18e16e4975..0000000000
--- a/examples/USER/drude/butane/log.butane.lang.18Jul15.linux.4
+++ /dev/null
@@ -1,171 +0,0 @@
-LAMMPS (18 Jul 2015)
-# 250 butane system for drude polarizability example (Langevin)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.butane
-  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  4250 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6750 dihedrals
-  5 = max # of 1-2 neighbors
-  8 = max # of 1-3 neighbors
-  12 = max # of 1-4 neighbors
-  17 = max # of special neighbors
-
-comm_modify vel yes
-
-group gBUTANE molecule 1:250
-4500 atoms in group gBUTANE
-group gCORES type 1 2 3
-3500 atoms in group gCORES
-group gDRUDES type 4 5
-1000 atoms in group gDRUDES
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    * thole 1.368000
-pair_coeff    2    * thole 1.368000
-pair_coeff    4    * thole 1.368000
-pair_coeff    5    * thole 1.368000
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
-  0 = # of size 2 clusters
-  500 = # of size 3 clusters
-  500 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nve
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.367867
-  grid = 36 36 36
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.031354
-  estimated relative force accuracy = 9.44215e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 26875 11664
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 17
-New max number of 1-2 to 1-4 neighbors: 17 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-Memory usage per processor = 14.7792 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    -353319.1    55742.797    334.61375    18.435655 
-      50   0.91017509    3449.6475    2040.7698    186.76984    1408.8777    836.85155    816.32124    115.24642            0    -758.7276    595242.44   -594843.26    3042.2937    55742.797    199.51659     152.7045 
-     100     1.829694    2917.9137     1947.102    178.19743    970.81176    363.96553    932.94225    165.60761            0   -931.00296    595306.34   -594867.04    1697.0127    55742.797    226.24749    49.885738 
-     150    2.6620312    2853.3142    1959.0731    179.29301    894.24108    244.19792    978.17893    187.28366            0   -941.03478    595295.44   -594869.82    4597.2005    55742.797    241.05848    14.405808 
-     200    3.4969041    2885.6715    1928.6381    176.50762    957.03347    227.09245    1066.5297     186.6858            0   -949.52603    595296.49   -594870.24    2602.8275    55742.797    240.70211    5.1458056 
-     250     4.621171    2905.8961    1939.7876    177.52802    966.10847    215.77945    1122.1238    195.98218            0   -993.52132    595296.54   -594870.79    1808.1681    55742.797    243.04306     2.643716 
-     300    5.5216351    2968.5517    1974.9277    180.74402      993.624    210.11413    1158.7871      194.142            0   -996.53154    595297.91   -594870.79    3371.8618    55742.797     247.7682    1.8321312 
-     350    6.3789251     2996.151    1992.9982    182.39782    1003.1527    217.80518     1150.726    205.32316            0   -996.14478    595296.05   -594870.61    3022.9945    55742.797    250.15947    1.5176819 
-     400     7.208317    2991.7201    1975.3852    180.78589    1016.3349    221.46133    1169.8254    213.90874            0   -1016.9906    595298.44   -594870.31    753.59124    55742.797    247.99744    1.3743032 
-     450    8.0359671    3061.6051    2009.1302    183.87421    1052.4749    212.54169    1234.7697    205.71762            0   -1028.2259    595297.95   -594870.28    996.71341    55742.797    252.23801    1.3870863 
-     500    8.8456361    3127.3783    2009.8033    183.93581    1117.5749    222.16507    1246.5854    215.82607            0   -994.66665     595298.3   -594870.63    2537.6157    55742.797    252.32947     1.367397 
-     550    9.6647151     3181.037    2069.9836    189.44346    1111.0534    218.00575     1246.961    212.55852            0   -992.83597    595296.16   -594869.79    1333.8768    55742.797    259.86467    1.4641506 
-     600    10.484356    3194.2009    2007.5349     183.7282     1186.666    228.93838    1309.4718    215.93595            0   -995.70641    595297.81   -594869.79    1336.7994    55742.797    252.00698    1.4677515 
-     650     11.30116    3145.4387    2028.2544    185.62444    1117.1843    209.73722    1277.9793    217.12799            0   -1015.2398    595297.88    -594870.3    1442.6875    55742.797    254.61499    1.4639962 
-     700    12.106719    3163.3345    2053.2645    187.91335      1110.07    209.45249    1257.3108     216.7541            0   -1000.1505    595296.63   -594869.92    1093.9724    55742.797    257.76091    1.4652884 
-     750    12.924665    3145.6215    2010.7195    184.01966     1134.902    224.53065    1248.3301    222.25374            0    -988.4479    595298.83   -594870.59    470.73988    55742.797    252.39115    1.5116555 
-     800    13.736913    3191.2614    2043.4195    187.01234     1147.842    225.71717    1239.3564    234.89539            0   -980.97352    595299.07   -594870.22    1472.0305    55742.797    256.53524    1.4309304 
-     850    14.550736    3157.6279    2004.8472    183.48223    1152.7806    217.72587    1269.3398    224.40554            0   -987.51794    595299.15   -594870.32    293.76575    55742.797    251.69397    1.4007963 
-     900    15.344895    3188.5027     2077.065    190.09155    1111.4377    216.92608    1251.4141     213.7672            0   -1000.1269     595299.5   -594870.05    702.56821    55742.797     260.7853    1.3847905 
-     950    16.157597    3205.6761    2090.9807     191.3651    1114.6954     223.7729    1252.7887    225.91029            0   -1016.3682    595299.15   -594870.56   -19.492925    55742.797    262.50762    1.4603579 
-    1000    16.969809    3231.5931    2078.7058    190.24172    1152.8873    228.77504    1273.1611    219.28923            0   -995.58473    595296.82   -594869.57    1292.4071    55742.797    260.98775    1.3954023 
-    1050    17.771785    3264.2837    2106.0113     192.7407    1158.2724    224.16481    1278.5557    212.91309            0   -985.93386    595298.71   -594870.14    1357.1588    55742.797    264.40381    1.4463397 
-    1100    18.572331    3243.3355    2125.1664    194.49376    1118.1691    227.38559    1247.5134    210.61488            0   -996.85878    595299.68   -594870.17    650.53225    55742.797    266.82195    1.4240918 
-    1150     19.40463    3255.4144    2096.5982    191.87922    1158.8162    234.11389    1267.4257    217.02225            0   -989.70892    595299.81   -594869.84    688.78475    55742.797     263.2133    1.4631154 
-    1200    20.321045    3266.2609    2088.3727    191.12642    1177.8882    225.40174    1284.1097    225.77008            0   -985.63518    595297.81   -594869.57    182.80287    55742.797    262.21901    1.3550749 
-    1250    21.233994    3277.4365    2093.1481    191.56346    1184.2884    250.33569    1267.9985    235.70102            0   -999.80819    595299.96    -594869.9    780.87528    55742.797    262.80001    1.4077597 
-    1300    22.113268    3280.4141    2121.4996    194.15818    1158.9145    228.23585    1259.7304    230.65174            0   -989.06345    595298.99   -594869.63    932.19341    55742.797    266.34543    1.4646736 
-    1350    23.007421    3272.2214     2088.047    191.09662    1184.1744    224.66504     1284.656    217.03214            0    -970.5252    595297.72   -594869.37    63.097535    55742.797    262.16781    1.3823451 
-    1400    23.903494    3239.3096    2099.1837    192.11584    1140.1259     221.3215    1252.8691    215.64014            0   -978.70393    595298.89   -594869.89    1125.3057    55742.797    263.59141    1.3221979 
-    1450    24.833224     3226.293    2042.7354    186.94973    1183.5576    241.40449     1273.025    233.66813            0   -994.70934    595299.55   -594869.38   -412.31857    55742.797    256.45155    1.4245996 
-    1500    25.736203    3245.4596    2097.0431    191.91994    1148.4164     250.3854    1248.1507    212.36871            0   -990.48467    595297.36   -594869.36    245.49743    55742.797    263.28349    1.4252034 
-    1550    26.633033    3308.5518    2113.8467    193.45778    1194.7051     234.5293    1286.7563    233.20552            0   -987.36764    595297.06   -594869.48    1324.7098    55742.797    265.37419    1.4864431 
-    1600    27.530123     3319.786    2130.8949    195.01803    1188.8911    234.06508    1292.3987    225.94876            0   -992.81161     595299.1   -594869.81    343.14209    55742.797    267.51024    1.5104547 
-    1650     28.41116    3239.0425    2066.8485    189.15654     1172.194    219.46922    1303.0071    210.00869            0   -989.28577    595298.63   -594869.64   -505.97551    55742.797    259.48305    1.4300292 
-    1700    29.313339    3281.3023     2054.581    188.03383    1226.7213    224.72686    1339.1948    208.65914            0   -974.24634    595297.79    -594869.4    331.11846    55742.797    257.92342    1.4735531 
-    1750    30.216241    3237.8348    2043.3835    187.00904    1194.4513    238.16066    1281.9383    221.74494            0   -976.72731     595299.4   -594870.06    612.69867    55742.797    256.53793    1.4116726 
-    1800    31.113153    3242.1274      2087.94    191.08683    1154.1873    240.53142    1256.6966    210.49591            0   -983.16111    595299.34   -594869.72   -8.1277769    55742.797    262.14149    1.4166426 
-    1850    31.993161    3249.8016    2079.8947    190.35052    1169.9069    233.21641    1269.4077    215.23716            0   -975.12835     595296.5   -594869.33    1156.1724    55742.797    261.13101    1.4122227 
-    1900    32.891621    3251.9579    2097.6037    191.97124    1154.3541    243.13703    1228.3357    235.37914            0   -983.06313    595300.37    -594869.8    293.60486    55742.797    263.33664    1.4715416 
-    1950    33.791255    3202.0703    2076.0894    190.00227    1125.9809    233.71337    1217.6976    227.58496            0    -981.8352    595298.07   -594869.25   -544.65606    55742.797    260.61868    1.5018224 
-    2000    34.690323    3215.7987    2015.5993    184.46625    1200.1994    242.43605    1281.6846    227.48326            0   -980.70325    595298.82   -594869.52    248.82508    55742.797    253.04055    1.4169879 
-Loop time of 34.6904 on 4 procs for 2000 steps with 4500 atoms
-
-Pair  time (%) = 16.514 (47.6038)
-Bond  time (%) = 4.35555 (12.5555)
-Kspce time (%) = 10.6198 (30.613)
-Neigh time (%) = 0.393407 (1.13405)
-Comm  time (%) = 1.18699 (3.42165)
-Outpt time (%) = 0.00467861 (0.0134867)
-Other time (%) = 1.6161 (4.65863)
-
-Nlocal:    1125 ave 1219 max 1009 min
-Histogram: 1 0 0 0 0 1 1 0 0 1
-Nghost:    5768 ave 5890 max 5664 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-Neighs:    215002 ave 223956 max 206872 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-
-Total # of neighbors = 860008
-Ave neighs/atom = 191.113
-Ave special neighs/atom = 13.3333
-Neighbor list builds = 29
-Dangerous builds = 0
diff --git a/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.3 b/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.3
deleted file mode 100644
index 26ef8dad2c..0000000000
--- a/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.3
+++ /dev/null
@@ -1,177 +0,0 @@
-LAMMPS (18 Jul 2015)
-# 250 butane system for drude polarizability example (Nose-Hoover)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.butane
-  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  4250 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6750 dihedrals
-  5 = max # of 1-2 neighbors
-  8 = max # of 1-3 neighbors
-  12 = max # of 1-4 neighbors
-  17 = max # of special neighbors
-
-group gBUTANE molecule 1:250
-4500 atoms in group gBUTANE
-group gCORES type 1 2 3
-3500 atoms in group gCORES
-group gDRUDES type 4 5
-1000 atoms in group gDRUDES
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    * thole 1.368000
-pair_coeff    2    * thole 1.368000
-pair_coeff    4    * thole 1.368000
-pair_coeff    5    * thole 1.368000
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
-  0 = # of size 2 clusters
-  500 = # of size 3 clusters
-  500 = # of size 4 clusters
-  0 = # of frozen angles
-
-comm_modify vel yes
-compute cTEMP_CORE gCORES temp/com
-compute cTEMP all temp/drude
-
-fix fDIRECT all drude/transform/direct
-fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 260 100.0
-fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 1 20.0
-fix fINVERSE all drude/transform/inverse
-
-fix fMOMENTUM all momentum 100 linear 1 1 1
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.367867
-  grid = 36 36 36
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.031354
-  estimated relative force accuracy = 9.44215e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 79507 46656
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 17
-New max number of 1-2 to 1-4 neighbors: 17 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-Memory usage per processor = 20.1567 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    -353319.1    55742.797    334.61375    18.435655 
-      50    2.8816051    2130.0808    1490.8248    136.43926    639.25601    192.16834    670.26518    115.15685            0    -766.5636    595300.83    -594872.6    2829.5958    55742.797    187.32686   0.60253137 
-     100     5.569447    2172.0554    1656.5476    151.60609    515.50773    180.41449    708.03397    165.80788            0   -971.62525    595305.35   -594872.47     1231.388    55742.797    208.34096   0.16151117 
-     150    8.2248161     2216.471    1733.4485      158.644    483.02256    136.16281    713.34485    169.62608            0   -964.30363    595300.47   -594872.27    4400.6234    55742.797    218.02975   0.12336382 
-     200    10.911476    2271.1314    1750.9955     160.2499    520.13587    190.12953    725.63606    167.04635            0   -987.11203     595295.5   -594871.06    2107.4949    55742.797    220.19714   0.23035017 
-     250    13.588019    2333.7822    1793.0252    164.09642    540.75705    153.18169    833.95287     168.1507            0   -1041.2955     595297.2   -594870.43    1165.6922    55742.797    225.18334    1.0339004 
-     300     16.26521    2403.6147    1909.3441    174.74185    494.27059    144.27299     803.8452    155.85505            0   -1036.4615    595297.31   -594870.55    2511.3721    55742.797    239.06243    3.0455686 
-     350    18.937858    2448.2389      1862.67    170.47027    585.56885    181.70523     821.7917    164.10713            0   -1005.4167     595293.5   -594870.12    2874.0826    55742.797    233.92745    1.0806435 
-     400    21.590191    2498.6994    1942.5496     177.7808    556.14976     168.5792    828.99117     182.0756            0    -1050.149    595296.43   -594869.77    485.86761    55742.797    244.23632    0.3882729 
-     450    24.247025    2552.9641    1890.0917    172.97989    662.87241    134.42613     957.3361    181.42951            0   -1036.4237    595295.53   -594869.43    66.452669    55742.797    237.65323   0.34464588 
-     500    26.850275      2608.55    1970.0729    180.29971     638.4771    187.01392    838.62129    176.10775            0   -985.23355    595290.89   -594868.93    3471.1633    55742.797    247.59402   0.66791252 
-     550    29.482354     2667.002    1875.8227    171.67399    791.17931    178.48765    1003.6885    176.78989            0   -991.21705    595292.35   -594868.92    1767.0543    55742.797    235.34039    1.7252619 
-     600     32.10773    2715.2399     1883.279    172.35639    831.96094    186.79504    1047.6877    183.04311            0   -1010.5423    595293.27   -594868.29    931.85523    55742.797    236.28437    1.7094253 
-     650    34.715398    2754.4497     1970.794     180.3657    783.65568    166.02823    963.09399     184.8464            0   -952.45217    595290.25   -594868.11     2640.017    55742.797    247.67755   0.68709275 
-     700    37.337317    2795.9461    1928.2674     176.4737    867.67874    176.09641    1002.4636    186.11483            0   -920.14356    595291.32   -594868.18    664.78904    55742.797    242.41897   0.44316381 
-     750    39.927419    2838.2052    2043.2258    186.99461    794.97945    170.34991    941.73148    193.53082            0   -940.49604     595298.1   -594868.23    410.24758    55742.797    256.84035   0.55229077 
-     800    42.469991    2881.9788    1945.9722    178.09402    936.00667     197.5203    1021.5571    202.83524            0   -915.18511    595297.49   -594868.21   -716.81442    55742.797    244.35112    1.2303511 
-     850     45.05362    2923.3858    2106.5752    192.79231    816.81052    195.94987    886.41681    184.36064            0   -878.10485    595296.29    -594868.1   -1407.5711    55742.797     264.3276    1.8387296 
-     900    47.651245    2950.6673    2039.6221     186.6648    911.04515    183.79618    1000.7954    184.49766            0   -890.38965    595299.97   -594867.63    -1085.794    55742.797    256.21167    1.0198208 
-     950    50.451391    2976.6436    2006.5932    183.64202    970.05039    228.60059    985.21322    206.18529            0   -881.65815    595299.54   -594867.83   -1851.9703    55742.797    252.23637   0.54012241 
-    1000    53.018937     3003.743    2056.8471    188.24122    946.89587    171.73287    976.85675    207.05097            0   -836.24563    595294.95   -594867.45    282.61914    55742.797     258.5658   0.52076804 
-    1050    55.532595    3031.3535    2095.4846     191.7773    935.86887    203.54188    945.75569     204.8504            0   -846.10969    595294.45   -594866.62   -376.91112    55742.797    263.27093   0.93584407 
-    1100    58.115412    3058.5347    2047.3098    187.36838    1011.2249    211.94076     1001.093    223.66214            0   -855.82424    595297.13   -594866.78   -1381.6531    55742.797    256.93409    1.6724456 
-    1150    60.799698    3078.3996    2123.1811    194.31206    955.21855    189.50189    937.18685    224.21465            0   -823.63222    595294.38   -594866.43    524.70113    55742.797     266.5974    1.3568376 
-    1200    63.295243     3093.556    2005.8939    183.57802    1087.6621     201.3428    1044.9909    219.39202            0   -805.37122    595293.83   -594866.52   -370.32492    55742.797     252.0829   0.71475597 
-    1250    65.797931    3108.5155    2175.8972    199.13661    932.61826     156.6571    969.72254    225.30586            0   -850.00503    595297.25   -594866.31   -1015.3093    55742.797    273.53154   0.55100418 
-    1300    68.300441    3122.9792    2090.3719    191.30939    1032.6073    209.92015    984.36624    236.75408            0   -825.27583    595292.92   -594866.08   -798.51816    55742.797    262.69421   0.75855207 
-    1350    70.793202    3136.8213      2084.47    190.76925    1052.3513    186.49827    1004.7564    234.55362            0   -798.08335    595290.25   -594865.63    702.53782    55742.797    261.71553    1.3884089 
-    1400    73.326733    3144.9028    2180.3659    199.54558    964.53687    170.02484    962.43948    235.07761            0   -829.27156    595291.77   -594865.51    1682.2488    55742.797     273.7286    1.5246324 
-    1450    75.821906    3146.3365    2013.3816    184.26329    1132.9549    193.77936    1084.1403     252.3227            0   -821.23045    595288.54    -594864.6   -160.21484    55742.797    252.96375   0.87780357 
-    1500    78.325264    3150.6861    2107.4863    192.87569    1043.1998    185.11752    988.72532    245.47682            0   -796.86739    595285.46   -594864.71    2242.3101    55742.797    264.90216   0.61222547 
-    1550    80.779931    3156.3483    2074.5953    189.86552    1081.7531    166.52863    1062.4971    238.93518            0   -810.65247    595289.34    -594864.9    2224.9015    55742.797    260.73559   0.68881715 
-    1600    83.275807    3163.8714    2000.6756    183.10045    1163.1958    210.70823    1110.4519    256.16493            0    -840.1463    595290.73   -594864.71   -830.17884    55742.797    251.26533    1.1443116 
-    1650    85.768304    3169.3489    2056.4309    188.20313     1112.918     214.6419     1021.762    268.00157            0   -815.69477       595289    -594864.8    813.12089    55742.797    258.12835    1.5476743 
-    1700    88.261463    3168.7666    2119.4079    193.96675    1049.3587    147.25006    1027.6415    246.49221            0   -797.55007    595290.74   -594865.22    412.59618    55742.797    266.23017    1.0703149 
-    1750    90.746918    3168.2304    2066.7675    189.14913     1101.463    224.44009    1005.0052    243.56874            0   -797.83359    595291.25   -594864.96   -858.91314    55742.797    259.74684   0.69942293 
-    1800    93.246077    3169.7579    2109.6017    193.06929    1060.1562    204.57678    981.05867    249.37843            0   -801.42006    595291.51   -594864.95    137.05559    55742.797    265.15197   0.65571606 
-    1850    95.734661    3174.8532    2133.5052    195.25692     1041.348    175.87566    982.18775    244.55231            0   -786.49546    595290.43   -594865.21    882.03323    55742.797    268.02768     1.006296 
-    1900    98.221874    3180.3842    2106.4808    192.78367    1073.9034     207.8879    977.47746    250.68948            0   -788.04039    595290.55   -594864.66    574.40162    55742.797    264.45175    1.4759897 
-    1950    100.72148     3182.921    2084.8893    190.80763    1098.0317    207.26976    1007.5583    256.52302            0   -800.37789    595291.76   -594864.71   -981.75066    55742.797    261.81202     1.271779 
-    2000    103.20588    3185.2881    2079.8136     190.3431    1105.4745    185.44441    1008.6997     251.0561            0   -766.97142    595292.22   -594864.97    661.65951    55742.797    261.35563   0.78600155 
-Loop time of 103.206 on 1 procs for 2000 steps with 4500 atoms
-
-Pair  time (%) = 60.3651 (58.49)
-Bond  time (%) = 16.8315 (16.3087)
-Kspce time (%) = 20.1106 (19.4859)
-Neigh time (%) = 1.52801 (1.48054)
-Comm  time (%) = 0.328804 (0.318591)
-Outpt time (%) = 0.00495553 (0.00480159)
-Other time (%) = 4.03695 (3.91155)
-
-Nlocal:    4500 ave 4500 max 4500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    10060 ave 10060 max 10060 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    774908 ave 774908 max 774908 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 774908
-Ave neighs/atom = 172.202
-Ave special neighs/atom = 13.3333
-Neighbor list builds = 35
-Dangerous builds = 0
diff --git a/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.4 b/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.4
deleted file mode 100644
index 6a310d08dc..0000000000
--- a/examples/USER/drude/butane/log.butane.nh.18Jul15.linux.4
+++ /dev/null
@@ -1,177 +0,0 @@
-LAMMPS (18 Jul 2015)
-# 250 butane system for drude polarizability example (Nose-Hoover)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.089 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.butane
-  orthogonal box = (-19.1 -19.0999 -19.1) to (19.1 19.1 19.1)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  4500 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  4250 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6750 dihedrals
-  5 = max # of 1-2 neighbors
-  8 = max # of 1-3 neighbors
-  12 = max # of 1-4 neighbors
-  17 = max # of special neighbors
-
-group gBUTANE molecule 1:250
-4500 atoms in group gBUTANE
-group gCORES type 1 2 3
-3500 atoms in group gCORES
-group gDRUDES type 4 5
-1000 atoms in group gDRUDES
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H C2H
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # C2H C2H
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # C2H H
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    *  4*5 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    * thole 1.368000
-pair_coeff    2    * thole 1.368000
-pair_coeff    4    * thole 1.368000
-pair_coeff    5    * thole 1.368000
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 2 4
-  0 = # of size 2 clusters
-  500 = # of size 3 clusters
-  500 = # of size 4 clusters
-  0 = # of frozen angles
-
-comm_modify vel yes
-compute cTEMP_CORE gCORES temp/com
-compute cTEMP all temp/drude
-
-fix fDIRECT all drude/transform/direct
-fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 260 100.0
-fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 1 20.0
-fix fINVERSE all drude/transform/inverse
-
-fix fMOMENTUM all momentum 100 linear 1 1 1
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.367867
-  grid = 36 36 36
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.031354
-  estimated relative force accuracy = 9.44215e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 26875 11664
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 17
-New max number of 1-2 to 1-4 neighbors: 17 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-Memory usage per processor = 14.7792 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    6535.5187      2714.74    248.45112    3820.7787    3724.3278    140.75328    1.4735401            0   -518.77975    595169.42   -594696.41    -353319.1    55742.797    334.61375    18.435655 
-      50     1.019057    2130.0808    1490.8248    136.43926    639.25599    192.16834    670.26518    115.15685            0    -766.5636    595300.83    -594872.6    2829.5958    55742.797    187.32686   0.60253137 
-     100     2.043848    2172.0553    1656.5476    151.60609    515.50769    180.41449    708.03397    165.80788            0   -971.62525    595305.35   -594872.47     1231.388    55742.797    208.34096   0.16151117 
-     150    3.0405529     2216.471    1733.4485      158.644    483.02256    136.16281    713.34485    169.62608            0   -964.30363    595300.47   -594872.27    4400.6233    55742.797    218.02975   0.12336381 
-     200    4.0440719    2271.1314    1750.9955     160.2499    520.13584    190.12953    725.63606    167.04635            0   -987.11203     595295.5   -594871.06     2107.495    55742.797    220.19714   0.23035002 
-     250    5.0482569    2333.7821    1793.0252    164.09642    540.75694    153.18169    833.95288     168.1507            0   -1041.2955     595297.2   -594870.43    1165.6922    55742.797    225.18334    1.0339003 
-     300     6.044857    2403.6147    1909.3441    174.74185    494.27053      144.273     803.8452    155.85505            0   -1036.4615    595297.31   -594870.55    2511.3723    55742.797    239.06243    3.0455683 
-     350    7.0382209     2448.239      1862.67    170.47027    585.56896    181.70522    821.79171    164.10713            0   -1005.4167     595293.5   -594870.12    2874.0826    55742.797    233.92745    1.0806438 
-     400     8.025661    2498.6992    1942.5496    177.78079    556.14963     168.5792    828.99116     182.0756            0    -1050.149    595296.43   -594869.77    485.86784    55742.797    244.23632   0.38827289 
-     450     9.010309    2552.9639    1890.0917    172.97988    662.87225    134.42613     957.3361    181.42951            0   -1036.4237    595295.53   -594869.43    66.452466    55742.797    237.65323   0.34464586 
-     500     9.979717    2608.5501    1970.0729    180.29971    638.47718    187.01392    838.62128    176.10774            0   -985.23355    595290.89   -594868.93    3471.1636    55742.797    247.59402   0.66791289 
-     550    10.965174     2667.002    1875.8227      171.674    791.17932    178.48766    1003.6885    176.78987            0   -991.21707    595292.35   -594868.92    1767.0547    55742.797    235.34039    1.7252612 
-     600    11.944224    2715.2397     1883.279    172.35639    831.96067    186.79504    1047.6877     183.0431            0   -1010.5423    595293.27   -594868.29    931.85415    55742.797    236.28437    1.7094243 
-     650    12.916431    2754.4495     1970.794    180.36571    783.65547    166.02823    963.09393    184.84638            0   -952.45216    595290.25   -594868.11    2640.0169    55742.797    247.67755   0.68709272 
-     700    13.889729    2795.9463    1928.2674    176.47369    867.67893    176.09642    1002.4636    186.11482            0   -920.14357    595291.32   -594868.18    664.78857    55742.797    242.41896   0.44316458 
-     750    14.849284    2838.2051    2043.2257     186.9946    794.97938    170.34989    941.73149    193.53082            0   -940.49605     595298.1   -594868.23    410.24692    55742.797    256.84034   0.55228895 
-     800    15.765569    2881.9786    1945.9721    178.09402    936.00653    197.52035    1021.5571    202.83523            0   -915.18508    595297.49   -594868.21    -716.8133    55742.797    244.35111    1.2303486 
-     850     16.62147     2923.386    2106.5752    192.79231    816.81079     195.9499     886.4168    184.36063            0   -878.10486    595296.29    -594868.1   -1407.5716    55742.797     264.3276    1.8387295 
-     900    17.476931    2950.6672    2039.6221     186.6648    911.04508     183.7962    1000.7955    184.49765            0   -890.38971    595299.97   -594867.63    -1085.795    55742.797    256.21167    1.0198179 
-     950    18.332394    2976.6435    2006.5931    183.64202    970.05037    228.60059    985.21322    206.18531            0   -881.65816    595299.54   -594867.83   -1851.9704    55742.797    252.23636   0.54012295 
-    1000    19.192022    3003.7432    2056.8471    188.24122    946.89612    171.73291    976.85679    207.05089            0   -836.24565    595294.95   -594867.45    282.61893    55742.797     258.5658   0.52076763 
-    1050    20.070536    3031.3535    2095.4845    191.77729    935.86893    203.54188    945.75571    204.85039            0   -846.10968    595294.45   -594866.62   -376.91144    55742.797    263.27092   0.93584075 
-    1100    20.978902    3058.5346    2047.3099    187.36839    1011.2247    211.94079     1001.093    223.66207            0   -855.82432    595297.13   -594866.78   -1381.6546    55742.797    256.93411    1.6724371 
-    1150    21.886788    3078.3992    2123.1811    194.31206    955.21814    189.50191    937.18689    224.21463            0   -823.63239    595294.38   -594866.43    524.69914    55742.797    266.59741    1.3568273 
-    1200    22.731807    3093.5558    2005.8937    183.57801    1087.6621    201.34278     1044.991    219.39206            0   -805.37129    595293.83   -594866.52   -370.32731    55742.797    252.08289   0.71475598 
-    1250    23.577332    3108.5154    2175.8971     199.1366    932.61825    156.65715    969.72264    225.30585            0   -850.00508    595297.25   -594866.31   -1015.3099    55742.797    273.53152   0.55101046 
-    1300     24.41954     3122.979    2090.3725    191.30944    1032.6065    209.92008    984.36627    236.75348            0   -825.27575    595292.92   -594866.08   -798.51517    55742.797    262.69428   0.75855174 
-    1350    25.260247    3136.8213    2084.4701    190.76926    1052.3512    186.49846    1004.7564    234.55382            0   -798.08358    595290.25   -594865.63    702.53502    55742.797    261.71554    1.3884097 
-    1400    26.111855    3144.9027    2180.3656    199.54555    964.53705    170.02479    962.43949    235.07796            0    -829.2718    595291.77   -594865.51    1682.2458    55742.797    273.72857    1.5246347 
-    1450    26.950639    3146.3362    2013.3813    184.26326     1132.955    193.77936    1084.1402    252.32287            0   -821.23025    595288.54    -594864.6   -160.21134    55742.797    252.96371   0.87779957 
-    1500    27.790502    3150.6919    2107.4861    192.87567    1043.2058    185.11758    988.72513    245.47693            0   -796.86696    595285.47   -594864.71    2242.3607    55742.797    264.90213   0.61222945 
-    1550    28.619789    3156.3482    2074.5978    189.86575    1081.7504    166.52858    1062.4966    238.93331            0   -810.65249    595289.34    -594864.9    2224.9023    55742.797     260.7359   0.68881915 
-    1600    29.460929    3163.8714    2000.6737    183.10027    1163.1978    210.70797    1110.4522    256.16659            0   -840.14623    595290.73   -594864.71   -830.17835    55742.797    251.26509    1.1443132 
-    1650    30.299437    3169.3484    2056.4317    188.20321    1112.9167    214.64223    1021.7623    268.00145            0    -815.6963       595289    -594864.8    813.10459    55742.797    258.12846    1.5476742 
-    1700    31.139599    3168.7665    2119.4084    193.96679    1049.3581    147.25025    1027.6419    246.49323            0   -797.55219    595290.74   -594865.22    412.56019    55742.797    266.23023    1.0703144 
-    1750    31.982883    3168.2311    2066.7649    189.14889    1101.4662    224.43981    1005.0038    243.56888            0   -797.82899    595291.25   -594864.96    -858.8853    55742.797    259.74652   0.69941609 
-    1800    32.826623    3169.7582    2109.6043    193.06952     1060.154    204.57671    981.05578    249.38028            0   -801.42264    595291.51   -594864.95    137.07377    55742.797     265.1523   0.65571522 
-    1850    33.670608    3174.8602    2133.4946    195.25594    1041.3657    175.87741    982.18471    244.56078            0   -786.49062    595290.44   -594865.21    882.07943    55742.797    268.02634    1.0063027 
-    1900    34.515605     3180.392     2106.493    192.78478    1073.8991    207.88481    977.47602    250.68433            0   -788.04013    595290.55   -594864.66    574.47687    55742.797    264.45328    1.4759962 
-    1950    35.361549    3182.9198    2084.8984    190.80846    1098.0214    207.26715    1007.5534    256.52264            0   -800.37486    595291.76   -594864.71   -981.72234    55742.797    261.81317    1.2717649 
-    2000    36.208456     3185.292    2079.8093    190.34271    1105.4827    185.44479    1008.7001    251.06381            0   -766.97114    595292.22   -594864.97    661.65731    55742.797     261.3551   0.78598984 
-Loop time of 36.2086 on 4 procs for 2000 steps with 4500 atoms
-
-Pair  time (%) = 15.6569 (43.2408)
-Bond  time (%) = 4.33273 (11.966)
-Kspce time (%) = 10.271 (28.3662)
-Neigh time (%) = 0.435532 (1.20284)
-Comm  time (%) = 0.83936 (2.31813)
-Outpt time (%) = 0.00456434 (0.0126057)
-Other time (%) = 4.66849 (12.8933)
-
-Nlocal:    1125 ave 1165 max 1096 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Nghost:    5854.5 ave 5931 max 5788 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    193727 ave 200966 max 187020 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 774908
-Ave neighs/atom = 172.202
-Ave special neighs/atom = 13.3333
-Neighbor list builds = 35
-Dangerous builds = 0
diff --git a/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.1 b/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.1
new file mode 100644
index 0000000000..127d859702
--- /dev/null
+++ b/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.1
@@ -0,0 +1,277 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
+kspace_style pppm 1.0e-4
+
+comm_modify vel yes
+read_data data.ethanol
+  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  3000 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  2750 bonds
+  reading angles ...
+  3250 angles
+  reading dihedrals ...
+  3000 dihedrals
+  5 = max # of 1-2 neighbors
+  6 = max # of 1-3 neighbors
+  10 = max # of 1-4 neighbors
+  11 = max # of special neighbors
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
+pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
+pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
+pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
+pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
+pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
+pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
+pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
+pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    1 thole 2.051000
+pair_coeff    1    2 thole 1.580265
+pair_coeff    1    4 thole 1.416087
+pair_coeff    1    6 thole 2.051000
+pair_coeff    1    7 thole 1.580265
+pair_coeff    1    8 thole 1.416087
+pair_coeff    2    2 thole 1.217570
+pair_coeff    2    4 thole 1.091074
+pair_coeff    2    6 thole 1.580265
+pair_coeff    2    7 thole 1.217570
+pair_coeff    2    8 thole 1.091074
+pair_coeff    4    4 thole 0.977720
+pair_coeff    4    6 thole 1.416087
+pair_coeff    4    7 thole 1.091074
+pair_coeff    4    8 thole 0.977720
+pair_coeff    6    6 thole 2.051000
+pair_coeff    6    7 thole 1.580265
+pair_coeff    6    8 thole 1.416087
+pair_coeff    7    7 thole 1.217570
+pair_coeff    7    8 thole 1.091074
+pair_coeff    8    8 thole 0.977720
+
+group gETHANOL molecule 1:250
+3000 atoms in group gETHANOL
+group gATOMS type 1 2 3 4 5
+2250 atoms in group gATOMS
+group gDRUDES type 6 7 8
+750 atoms in group gDRUDES
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 300.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gATOMS  create ${vTEMP} 12345
+velocity gATOMS  create 300 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N C N D D D
+
+fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
+  250 = # of size 2 clusters
+  250 = # of size 3 clusters
+  250 = # of size 4 clusters
+  0 = # of frozen angles
+
+fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 300 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 300 100.0 200611 1 20.0 260514 zero yes
+fix fNPH all nph iso ${vPRESS} ${vPRESS} 500.0
+fix fNPH all nph iso 1 ${vPRESS} 500.0
+fix fNPH all nph iso 1 1 500.0
+
+compute cTEMP all temp/drude
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 20
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.379738
+  grid = 30 30 30
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0289979
+  estimated relative force accuracy = 8.73262e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 50653 27000
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 11
+New max number of 1-2 to 1-4 neighbors: 11 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 22.48 | 22.48 | 22.48 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170210.19    22094.109    381.62759    10.134301 
+      20   0.81254506     10970.11     5646.659    758.03805     5323.451    2059.6082    2216.9981    125.92585            0     1728.656    514096.92   -514904.66    75437.598    22442.383    899.52209    426.89792 
+      40    1.7067263    8946.2741    5328.0351    715.26425     3618.239    1462.1404    1696.2927    256.70344            0    1227.0694    513938.28   -514962.25    46636.214    23048.268    913.15414    252.56747 
+      60    2.5404506    7510.8082    4723.1172     634.0568    2787.6909    1200.8053    1745.3972    301.30817            0    557.80687    513950.19   -514967.82    37794.247    23517.363    840.69812    151.04831 
+      80    3.3801596    6348.9157    4602.0926    617.80981    1746.8231    881.76663    1380.8166    300.54007            0    204.03797    513929.56    -514949.9    33851.301    23924.559    841.20021    95.741792 
+     100    4.2437606    5485.1689    4144.6876    556.40528    1340.4814    784.82013    1301.8493    289.61476            0    -77.16227    514016.31   -514974.95    23853.877    24319.093    768.90717    59.825643 
+     120    5.0577445    4861.8148    3777.2483    507.07825    1084.5665    621.85238    1297.2272    283.15722            0   -165.13412     514030.3   -514982.83    17461.708    24661.819    708.89192    35.503576 
+     140    5.8777206    4340.7393    3447.4973    462.81068    893.24198     643.1178    1248.6088    275.35463            0    -264.6674    513962.95   -514972.12    14977.074     24942.76    650.90916    23.297159 
+     160     6.688663    3926.6789    3280.6852    440.41693    645.99367    590.74309    1125.6956    275.31466            0   -402.41978    514040.08   -514983.42     17550.63    25183.539    623.01495    13.767656 
+     180    7.4729645    3510.0638    3034.3628    407.34927    475.70103    580.84695    1065.6783    271.61808            0   -478.33275    514008.17   -514972.28    9895.4157    25410.444    577.92533    8.7953368 
+     200    8.2036176    3232.9542    2804.7026    376.51845    428.25158    560.53426    1096.7584    268.56297            0   -524.94297    514009.86   -514982.53     8536.536    25604.126    535.28025    5.5722323 
+     220    8.9682925    3019.8368    2679.2202    359.67301    340.61655    534.32413    1086.0764    252.71411            0   -554.59208    514001.04   -514978.94    7625.0406    25766.134    511.84268    4.1308947 
+     240     9.730809    2817.4084    2557.6953    343.35885    259.71311    533.47006    1096.7331    235.22275            0    -594.9152    513968.32   -514979.12    6062.2975    25913.841    489.03736    2.9845074 
+     260    10.499042    2630.9155    2460.3336    330.28849    170.58193    520.16741    1043.8106    228.53526            0   -637.28205    514004.22   -514988.87     5628.429    26050.517    470.64131     2.358198 
+     280    11.217016    2462.5369    2379.2296    319.40065    83.307285    525.29091    971.98774     226.2588            0   -624.49241    513966.97   -514982.71    4755.8332    26171.267    455.29613    1.8853352 
+     300    11.964113    2313.8618    2233.2275    299.80054    80.634294    520.99642    985.55834    216.66019            0   -623.05887    513969.74   -514989.27    3495.3603    26275.734     427.3819    1.7109763 
+     320    12.723562    2171.4928    2215.8464     297.4672   -44.353519    513.03114    926.86216     206.3972            0   -647.51178    513946.73   -514989.86     3549.145     26372.81    424.12312    1.5400892 
+     340    13.426266    2048.6698      2102.88    282.30198   -54.210215    517.14417    972.13286    198.86927            0   -648.61225    513890.91   -514984.65    3715.5702    26466.519    402.53006    1.3933858 
+     360    14.168186     1940.223    2045.0378    274.53693   -104.81473    499.08868    932.31216    187.54718            0   -652.27824    513915.74   -514987.22    2294.4616    26556.528    391.47399    1.3177584 
+     380    14.864166    1826.4204    1933.7705    259.59981    -107.3501    518.46244    919.38664    182.02964            0   -651.82587    513909.74   -514985.14    2611.0855    26637.685    370.14008     1.326376 
+     400    15.599668    1760.0086    1974.1623    265.02222   -214.15371    494.76522    905.22476    184.88378            0   -673.22096    513861.68   -514987.49    2090.4168    26713.916    377.90359    1.2789937 
+     420      16.2925    1674.2391    1874.8006    251.68337   -200.56147    494.23164    919.14316    191.46494            0    -660.1575    513844.17   -514989.42    350.12478    26785.636    358.83667    1.3234235 
+     440    17.041535    1636.4128    1886.5254    253.25737   -250.11252    501.29431    885.94965    180.12472            0   -646.62075     513813.8   -514984.66    458.70321    26849.461    361.09661    1.2948048 
+     460    17.740912    1593.2246    1860.4472     249.7565   -267.22259    491.27176    906.91419    174.59456            0   -666.47423    513815.28   -514988.81    115.45351    26902.557    356.10559    1.2755931 
+     480    18.472947    1505.1612    1836.7228     246.5716   -331.56157    509.71008    860.32948    173.58748            0   -651.36822    513766.31   -514990.13    1635.9711    26947.857    351.56234    1.2644252 
+     500    19.162812    1442.4712    1798.4284    241.43076   -355.95719    522.31402    861.73677    168.27586            0   -655.15129    513739.29   -514992.42    1516.6732    26993.542    344.22674    1.2515652 
+     520     19.89256    1429.3971    1796.9572    241.23326    -367.5601    524.35274     871.7445    162.49855            0   -664.89069    513732.49   -514993.75   -691.80782    27036.842    343.93996    1.2626321 
+     540    20.616937    1386.8087    1788.7933    240.13729   -401.98456     549.1041    874.95416    154.29758            0   -656.88358    513668.46   -514991.91   -119.32561    27073.387    342.35804    1.3020275 
+     560    21.306129    1344.6077    1829.0478    245.54127   -484.44012    543.60765    827.52373    145.03505            0   -643.55003    513639.44    -514996.5    693.36148    27104.757    350.07417    1.3037885 
+     580    22.040812    1286.9423    1718.4962    230.70022    -431.5539    560.81872    873.95523    152.40482            0   -615.47818     513591.3   -514994.56     817.2745    27136.551    328.90573    1.2464245 
+     600    22.724418    1275.6074    1701.8955    228.47166   -426.28816    557.82466    895.29544    163.06547            0    -608.8133    513562.03   -514995.69    275.46334    27163.636    325.68453    1.3370122 
+     620     23.44057    1274.2239    1712.0781    229.83862   -437.85423    558.25658     859.2033    175.17918            0   -603.74788    513569.12   -514995.87   -810.10874    27182.704    327.68601    1.2216086 
+     640    24.123536    1217.5949    1736.1449    233.06948   -518.54993    572.30838    823.15943    163.38189            0   -606.64686    513521.66   -514992.42   -536.21523    27199.467    332.28881    1.2469404 
+     660    24.805612    1140.2496    1676.0527    225.00239   -535.80312    572.19423    829.86027    152.55649            0   -620.66616    513527.68   -514997.43    120.66196     27215.98    320.75861    1.2712041 
+     680    25.520239    1133.2378    1685.4319    226.26149   -552.19407    578.85784    824.91421    153.63895            0   -613.65105    513498.02   -514993.97   -379.30914    27230.138     322.5583    1.2672644 
+     700    26.205342     1124.125    1689.5449    226.81364   -565.41988    579.11835    817.50558    160.54964            0    -604.5409    513474.09   -514992.14    528.42535     27241.45    323.33965    1.2838662 
+     720    26.921122    1109.6569    1678.6607    225.35249   -569.00385    580.40773    815.63482     166.4848            0   -599.13557    513461.32   -514993.72    1376.5605    27253.659    321.24203    1.3097627 
+     740    27.601695    1104.3735    1664.4944    223.45073   -560.12097    598.18143    826.47186    162.20687            0   -577.40038    513419.67   -514989.25   -685.80791    27266.235    318.55379    1.2456749 
+     760     28.28271    1069.6794    1657.3304    222.48899   -587.65098    602.19554    832.68475    153.62759            0   -575.90127    513395.19   -514995.45     28.38921    27277.988    317.17055     1.268719 
+     780    28.996149    1035.0873    1654.5397    222.11435   -619.45236    585.73597    809.21796    152.24623            0   -573.92716    513400.09   -514992.82   -549.23892    27289.878    316.65381    1.2261365 
+     800    29.675426    1040.0427    1664.7856    223.48982   -624.74286    604.87479    803.38738    148.64588            0    -581.4825    513396.97   -514997.14    530.67038    27299.723     318.5938    1.2825531 
+     820    30.402455    1058.8049    1736.3913    233.10256   -677.58644    598.66467    784.93293    144.90816            0    -597.9166    513390.25   -514998.43    653.33362     27310.17    332.34765    1.2198792 
+     840    31.118422    1045.2817    1676.2729    225.03194   -630.99122    612.88019     813.4753    148.32663            0   -579.43245    513373.31   -514999.55   -720.22991    27320.116    320.80475    1.2620189 
+     860    31.799375      1020.82    1671.7525     224.4251   -650.93249    601.80247    814.81617    150.65389            0   -579.97174    513366.24   -515004.47   -498.60966    27326.379    319.94744    1.2404059 
+     880    32.481784    989.86496    1624.1319    218.03225   -634.26695    614.48607    850.33389    145.79505            0   -574.15578    513329.88    -515000.6    644.59976    27330.958    310.79513    1.2948148 
+     900    33.198209    951.41059    1655.2127    222.20471   -703.80214    612.33731    803.86098    146.44258            0   -578.12695    513314.46   -515002.78   -25.904297    27339.169    316.76616    1.2650626 
+     920    33.878012    990.08562    1682.4801    225.86523   -692.39448    625.27768     804.9682    145.49836            0   -566.22584    513298.29    -515000.2   -208.28417    27347.438    322.01282    1.2196912 
+     940    34.556311    974.83201    1654.4008    222.09571   -679.56876    644.46748    830.40192    142.42832            0   -571.21787    513274.72   -515000.37   -71.952805    27352.639    316.60661    1.2741508 
+     960    35.269557    970.36001    1647.0909    221.11439   -676.73092    621.42437    860.53358    137.22199            0   -570.51798    513277.98   -515003.38    339.47273    27355.862    315.21012    1.2628848 
+     980    35.951764    922.33531    1622.6042    217.82716    -700.2689    618.59396     850.9916    132.49991            0   -567.44171    513265.42   -515000.33    -3.755395    27360.701    310.51565    1.2635959 
+    1000    36.662547    903.55733    1693.4113     227.3327     -789.854    615.39097    786.15607     135.3415            0   -548.74582     513226.2    -515004.2   -1219.6014    27365.318    324.08684    1.2699177 
+    1020    37.341981    880.90138    1612.1831    216.42818    -731.2817    641.82697    825.92774    137.67854            0   -547.87626    513212.88   -515001.72   -125.90779    27364.725    308.51463    1.2712085 
+    1040    38.019606    859.45089    1636.4941    219.69182   -777.04323    642.81093    781.73583    128.96061            0   -535.59867    513206.15    -515001.1   -135.59253    27365.446    313.17007    1.2829993 
+    1060    38.725149    841.77495    1587.4484    213.10766   -745.67345    645.21049    847.89954    128.65218            0   -530.86511    513167.42   -515003.99   -78.288456    27368.183    303.75381    1.3158354 
+    1080     39.38038    821.88019    1590.6204    213.53349   -768.74022    655.77353    810.91879    133.42328            0   -519.68745    513152.23   -515001.39   -104.67266    27368.299     304.3695    1.2980829 
+    1100    40.035902    809.65728    1576.7543    211.67203   -767.09702    656.19162    822.82454    142.23371            0   -516.69506    513132.98   -515004.64    1031.9055    27367.566      301.722     1.273181 
+    1120    40.726126     820.5289    1619.3681    217.39273   -798.83918    672.50004    801.37058    138.45512            0   -522.82421    513115.49   -515003.84    754.43464    27372.483    309.87476    1.3114682 
+    1140    41.387774    841.02858     1618.789      217.315   -777.76045    662.62238    819.67645    137.92965            0   -530.61485    513139.41   -515006.78   -1113.1328    27379.657    309.76952     1.298026 
+    1160    42.057621    817.85003    1643.6698    220.65512   -825.81977    662.19692    793.93829    135.32496            0   -560.64736     513151.2   -515007.83   -185.68314    27379.995    314.55458     1.262201 
+    1180    42.715174    828.80176     1642.913    220.55353   -814.11124    676.87917    807.99197    132.86256            0   -551.49814     513123.1   -515003.45   -1104.1521    27375.422    314.43929    1.1926696 
+    1200    43.406653    824.66892    1602.5917    215.14058   -777.92278    660.24947    818.58601    137.75245            0   -536.80435    513150.81   -515008.52    417.52586    27368.971    306.71463    1.1809397 
+    1220    44.070962    793.59171    1650.4888    221.57054   -856.89708    643.52358    800.09599    140.67504            0   -559.82512    513124.22   -515005.59   -2053.0708    27364.593    315.86306    1.2592409 
+    1240    44.763665    784.17746    1595.2933     214.1608   -811.11582    645.81703    823.62179    144.27417            0   -541.81494    513125.24   -515008.25   -522.45199    27354.125    305.31945    1.1717212 
+    1260    45.426509    771.80674    1579.9594     212.1023   -808.15267    647.37467    839.39464    139.48231            0   -533.91983    513105.35   -515005.84   -236.36749    27340.092    302.33234    1.2827322 
+    1280    46.090314    757.30829    1571.2053     210.9271   -813.89703    677.57798    806.17559    134.09538            0   -505.01959    513077.27   -515003.99    811.20493    27324.568    300.65658    1.2770862 
+    1300    46.786592    784.63599    1620.5544    217.55198   -835.91837    658.42232    810.22801    135.68533            0   -515.37984    513080.18   -515005.05   -382.12012    27312.082     310.1031    1.3093104 
+    1320    47.448243    775.54897    1628.6454    218.63816    -853.0964    663.39683    830.11901     133.1559            0   -535.66369    513055.76   -514999.87   -555.79114    27302.584     311.6778    1.2541558 
+    1340    48.112453      748.355    1610.6902    216.22777   -862.33523    657.81748    804.32588    131.93735            0    -513.6202    513058.67   -515001.47    313.47767     27291.01    308.20033    1.3368285 
+    1360    48.811392    751.32155    1595.4402    214.18052   -844.11861    657.51903    845.03718    137.87132            0   -513.62167    513031.45   -515002.37   -79.880845    27279.506    305.28326     1.321866 
+    1380    49.475022    731.26314    1608.1608    215.88821   -876.89769    669.57446    814.19938    135.69586            0   -498.14752    513005.56   -515003.78    494.44462    27274.725    307.73144    1.2994877 
+    1400    50.172106    710.15416    1589.3213    213.35909   -879.16715    684.55854    812.02642    130.05555            0   -491.32449    512986.97   -515001.46   -1873.3431    27271.561      304.096    1.3551531 
+    1420    50.837606    696.15497    1589.6894    213.40851   -893.53445    692.24474    827.32888    125.48151            0   -496.67739    512958.77   -515000.68   -534.37168    27263.105    304.19764    1.2826528 
+    1440    51.508246    698.08943    1637.5392    219.83212   -939.44977    695.24634    786.95383    130.67316            0   -494.65965     512945.4   -515003.07   -237.78467     27250.78    313.40258    1.2079267 
+    1460    52.205405    699.73512     1625.071    218.15832   -925.33587    701.89168    802.08732    135.45068            0     -501.703    512938.62   -515001.68    28.171339    27240.652    310.98643     1.268512 
+    1480    52.872982    689.70566    1597.6417    214.47607   -907.93608    674.72811    845.78451     136.8906            0   -497.50953    512935.14   -515002.97   -602.11556    27230.827    305.70908    1.3130701 
+    1500    53.569404     691.1995    1561.7613    209.65929   -870.56183    692.08042     858.4753    135.61947            0   -493.28793     512938.1   -515001.55   -597.63867    27214.771     298.8608    1.2428754 
+    1520    54.234223    674.25149    1622.6123    217.82825   -948.36077    668.17586    834.50429    135.26557            0   -517.17765    512934.73   -515003.86   -104.64931    27195.923    310.52105    1.2545913 
+    1540    54.899103    660.26416    1645.0423    220.83937   -984.77813    693.47571    799.50207     124.8185            0   -510.40009    512910.64   -515002.81   -1254.5226    27176.861    314.81806    1.2613124 
+    1560    55.595102    664.64562     1650.033    221.50935   -985.38737    697.98896    795.13498    120.20295            0   -510.91599    512918.67   -515006.46   -950.50992    27153.028    315.75626    1.3045633 
+    1580       56.262    663.46124    1633.8238    219.33335   -970.36258    704.49765    795.17437    132.71647            0   -502.08537     512906.5   -515007.16   -205.86006    27124.708    312.66475    1.2676295 
+    1600    56.928335    645.68029    1598.5467    214.59755   -952.86639    706.45777    828.29528    135.72398            0   -513.58629    512891.73   -515001.49   -1147.6441    27091.638    305.87496    1.3308059 
+    1620    57.629507     637.7525    1562.3603     209.7397   -924.60782    721.14412    846.17365    136.34063            0    -517.2706    512894.92   -515005.91   -1271.6076    27054.822    298.95752    1.2851255 
+    1640    58.297866    616.11852    1583.9447    212.63731   -967.82623    714.38783    803.96933    137.27846            0   -500.85436    512879.67   -515002.28   -1169.7751    27016.776    303.10683    1.2582529 
+    1660     58.96682    632.47606    1599.1228     214.6749   -966.64675    723.96119    799.81022    125.78728            0   -480.98243    512865.44   -515000.66   -688.27485    26977.191    305.98571    1.3301015 
+    1680    59.679934    614.14317    1630.4077    218.87475   -1016.2646    712.35781     795.2823    112.38484            0   -463.91464    512831.48   -515003.86   -303.49292    26939.363    311.98958     1.314989 
+    1700     60.35184    607.54886    1616.1532    216.96114   -1008.6043    724.48093    799.01068    115.53655            0   -450.47755    512806.86   -515004.02    1086.8644    26904.035    309.27252    1.2786556 
+    1720    61.066244     609.2294    1580.6054    212.18902   -971.37599    725.61177    813.06406    121.47504            0   -440.04715    512818.91   -515010.39     5.983342    26873.897    302.44224    1.3152539 
+    1740     61.74157    625.35389    1606.0174    215.60047   -980.66354    721.92477    812.41005    127.04476            0   -435.05634    512799.07   -515006.06    333.20671    26849.324    307.31957    1.3017468 
+    1760    62.417318    594.94962    1568.3514    210.54397   -973.40177    730.56559    805.35837    129.49326            0   -450.75311    512821.57   -515009.64    891.72675    26828.071    300.13536    1.2166782 
+    1780    63.140649    600.36677    1620.4389    217.53648   -1020.0721    722.22052    795.19804    123.74183            0   -460.16037    512805.38   -515006.45    6.5230083    26812.903     310.0854    1.2989361 
+    1800    63.824508    579.73219    1609.3524    216.04817   -1029.6202    711.53963    793.77661    123.12265            0   -451.25398    512797.31   -515004.11   -1303.7286     26799.27    307.96564    1.2860154 
+    1820    64.545172    598.84205    1608.9687    215.99665   -1010.1266    714.09002    799.02749    122.43878            0   -453.90843    512813.78   -515005.56    632.28614    26785.698    307.91501    1.2325029 
+    1840     65.22587    586.50951    1587.5928    213.12705   -1001.0833    727.94474    823.60521    129.12956            0   -460.11816    512780.21   -515001.85    1024.9885    26777.699     303.8049    1.2612311 
+    1860    65.909234    575.80278    1557.8819    209.13849   -982.07909     727.5608    800.91998    138.66389            0   -454.06531    512808.05   -515003.21   -696.69404    26772.219    298.09238    1.3005467 
+    1880    66.632258    611.28789    1604.6616    215.41846   -993.37373    737.40385    802.26484     139.2269            0   -450.63031    512780.24   -515001.88   -40.643962    26765.841    307.08153    1.2507275 
+    1900    67.314627    606.24473    1611.9641    216.39878   -1005.7194    718.10757    783.64683    141.16739            0   -478.54415    512835.51   -515005.61    564.61472    26761.053    308.45922    1.3025385 
+    1920    67.997687    622.32128    1652.1009    221.78697   -1029.7797    709.21175    808.86628    140.79666            0   -489.67469    512806.75   -515005.73   -2045.2966     26762.21    316.16296     1.280607 
+    1940    68.720055    585.91734    1580.5482    212.18134   -994.63085    701.86656    823.41307    141.76963            0   -476.56128    512820.97   -515006.09   -1477.9457    26758.847    302.44297    1.2879495 
+    1960    69.400974    599.23183    1573.8307    211.27954   -974.59884    703.80549    834.20676    141.74855            0   -473.96154    512825.62   -515006.02   -555.31861     26748.97    301.16698    1.2604779 
+    1980    70.082469    604.67649    1570.9488    210.89266   -966.27229    709.67328    842.22196    142.29376            0   -479.29842     512823.2   -515004.37    220.13578    26738.567    300.59944    1.2956585 
+    2000    70.804962    610.11958    1559.2324    209.31979   -949.11278    723.21777    823.79015    145.64191            0   -461.27302    512827.63   -515008.12   -226.50414    26731.515    298.36269    1.2739114 
+Loop time of 70.805 on 1 procs for 2000 steps with 3000 atoms
+
+Performance: 1.220 ns/day, 19.668 hours/ns, 28.247 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 46.358     | 46.358     | 46.358     |   0.0 | 65.47
+Bond    | 1.8097     | 1.8097     | 1.8097     |   0.0 |  2.56
+Kspace  | 10.643     | 10.643     | 10.643     |   0.0 | 15.03
+Neigh   | 1.8814     | 1.8814     | 1.8814     |   0.0 |  2.66
+Comm    | 0.38412    | 0.38412    | 0.38412    |   0.0 |  0.54
+Output  | 0.008601   | 0.008601   | 0.008601   |   0.0 |  0.01
+Modify  | 9.6728     | 9.6728     | 9.6728     |   0.0 | 13.66
+Other   |            | 0.04689    |            |       |  0.07
+
+Nlocal:    3000 ave 3000 max 3000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    10022 ave 10022 max 10022 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    721937 ave 721937 max 721937 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 721937
+Ave neighs/atom = 240.646
+Ave special neighs/atom = 10.5
+Neighbor list builds = 49
+Dangerous builds = 0
+Total wall time: 0:01:10
diff --git a/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.4 b/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.4
new file mode 100644
index 0000000000..a0f886795b
--- /dev/null
+++ b/examples/USER/drude/ethanol/log.27Nov18.ethanol.lang.g++.4
@@ -0,0 +1,277 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
+kspace_style pppm 1.0e-4
+
+comm_modify vel yes
+read_data data.ethanol
+  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  3000 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  2750 bonds
+  reading angles ...
+  3250 angles
+  reading dihedrals ...
+  3000 dihedrals
+  5 = max # of 1-2 neighbors
+  6 = max # of 1-3 neighbors
+  10 = max # of 1-4 neighbors
+  11 = max # of special neighbors
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
+pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
+pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
+pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
+pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
+pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
+pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
+pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
+pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    1 thole 2.051000
+pair_coeff    1    2 thole 1.580265
+pair_coeff    1    4 thole 1.416087
+pair_coeff    1    6 thole 2.051000
+pair_coeff    1    7 thole 1.580265
+pair_coeff    1    8 thole 1.416087
+pair_coeff    2    2 thole 1.217570
+pair_coeff    2    4 thole 1.091074
+pair_coeff    2    6 thole 1.580265
+pair_coeff    2    7 thole 1.217570
+pair_coeff    2    8 thole 1.091074
+pair_coeff    4    4 thole 0.977720
+pair_coeff    4    6 thole 1.416087
+pair_coeff    4    7 thole 1.091074
+pair_coeff    4    8 thole 0.977720
+pair_coeff    6    6 thole 2.051000
+pair_coeff    6    7 thole 1.580265
+pair_coeff    6    8 thole 1.416087
+pair_coeff    7    7 thole 1.217570
+pair_coeff    7    8 thole 1.091074
+pair_coeff    8    8 thole 0.977720
+
+group gETHANOL molecule 1:250
+3000 atoms in group gETHANOL
+group gATOMS type 1 2 3 4 5
+2250 atoms in group gATOMS
+group gDRUDES type 6 7 8
+750 atoms in group gDRUDES
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 300.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gATOMS  create ${vTEMP} 12345
+velocity gATOMS  create 300 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N C N D D D
+
+fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
+  250 = # of size 2 clusters
+  250 = # of size 3 clusters
+  250 = # of size 4 clusters
+  0 = # of frozen angles
+
+fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 300 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
+fix fLANG all langevin/drude 300 100.0 200611 1 20.0 260514 zero yes
+fix fNPH all nph iso ${vPRESS} ${vPRESS} 500.0
+fix fNPH all nph iso 1 ${vPRESS} 500.0
+fix fNPH all nph iso 1 1 500.0
+
+compute cTEMP all temp/drude
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 20
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.379738
+  grid = 30 30 30
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0289979
+  estimated relative force accuracy = 8.73262e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 17908 7200
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 11
+New max number of 1-2 to 1-4 neighbors: 11 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 15.7 | 15.72 | 15.75 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170210.19    22094.109    381.62759    10.134301 
+      20   0.24885726    10977.523    5649.4234    758.40916    5328.0995    2062.3542    2228.2406    127.20787            0    1716.2655    514097.62   -514903.59    75540.788    22441.711    900.66455    425.71754 
+      40   0.52037597     8971.222    5307.0197    712.44303    3664.2023    1468.3101     1727.552    263.87374            0    1220.3688    513944.03   -514959.93    46704.125    23047.094    909.55742    251.59686 
+      60    0.7807281    7598.3479    4774.3053    640.92856    2824.0427    1194.6424    1771.6653    314.85756            0     553.7151    513952.94   -514963.78      37329.2    23513.994    850.78607    150.29302 
+      80    1.1572349    6500.0058    4632.0732    621.83456    1867.9325    914.32396    1444.2432    317.24546            0    213.11185    513930.12   -514951.11    33256.762    23919.646    847.27963    94.966975 
+     100    1.4178512     5591.472    4319.1968    579.83234    1272.2752    772.47756    1235.8385    306.35435            0   -56.189361    513990.32   -514976.52     21842.59    24315.598    802.33641     59.89227 
+     120    1.6625795    4952.7621    3881.7096     521.1017    1071.0525    630.88446    1260.1912    299.84296            0   -147.16305     514014.9    -514987.6    17191.638    24657.729    728.78527    35.811873 
+     140    1.8984792    4373.9331    3440.7548    461.90553     933.1783    670.28429    1238.1308    300.44834            0   -260.57044    513963.56   -514978.68     17252.83     24939.26    649.60264    23.329745 
+     160    2.1378865     3923.229    3251.2581    436.46647    671.97091    632.15143    1144.4146    307.32283            0   -436.68046    514014.07   -514989.31    17845.825    25185.451    617.37678    13.751529 
+     180    2.3720722    3558.1557    3060.4382    410.84977    497.71755    621.70998    1085.8204     297.1556            0   -495.34468    513968.54   -514980.16     9885.361    25415.428    582.93783    8.7536435 
+     200    2.6049569    3228.4936    2864.4301    384.53659    364.06344    591.33636    1077.5366    257.50944            0   -521.78289    513950.34   -514990.87    5925.7217    25605.563    546.61818    5.8335105 
+     220    2.8426785    2922.7424    2668.2075    358.19461     254.5349    552.38924    1045.2135    238.94168            0    -548.4004    513955.45   -514989.06    7136.0052    25761.984    509.82785    3.9098309 
+     240    3.1155882    2721.0612    2574.2915    345.58681    146.76969    547.99652    1035.0606    226.51837            0   -609.21222    513928.45   -514982.05    6971.5001    25907.597    492.18737    3.0535008 
+     260    3.3265111    2525.7518    2460.9077    330.36557    64.844061    536.78625    1022.3311    211.32544            0   -633.92783     513919.8   -514991.47    4534.5804    26040.845    470.74694    2.3688839 
+     280    3.5478129     2338.039    2324.3983    312.03981    13.640708    519.09042    970.16233    197.76897            0   -621.27548    513937.32   -514989.43    2909.3322    26151.714    444.74626    1.9753672 
+     300    3.7687361     2194.851    2189.0474    293.86956    5.8036062    530.74509    982.33557    190.99311            0   -652.24555    513946.83   -514992.86    4224.0345    26246.212    418.93917    1.6487718 
+     320    3.9801922    2045.4487    2132.0617    286.21949   -86.613049    531.53518    935.90803    188.46605            0   -683.41226    513935.36   -514994.47     1710.734    26338.321    408.05555    1.5540687 
+     340    4.1992741    1929.4058     2083.452    279.69387   -154.04619    509.02677    906.15126    186.62933            0   -668.19644    513908.44   -514996.09    2736.2098    26423.379    398.77795    1.4580758 
+     360    4.4171088    1853.7062    1992.5995    267.49733   -138.89334    525.34864    891.90355    178.21101            0   -654.64078    513920.99   -515000.71    3816.7092     26502.12     381.4127    1.3381612 
+     380    4.6217661    1760.9358    1947.0158    261.37793   -186.07997    516.89889    919.58404    172.53796            0    -676.7004    513879.46   -514997.86    2960.1316    26580.115     372.6985    1.2814406 
+     400    4.8376818    1687.8988    1905.9227    255.86137    -218.0239    535.53769    922.01769    176.20545            0   -684.03744    513833.88   -515001.63    1297.7806    26648.895    364.81828    1.2874209 
+     420    5.0580292    1605.7787    1889.0825    253.60065   -283.30381    517.08427    857.72563    180.14818            0   -663.15367    513826.27   -515001.38    2609.7387    26710.911    361.58795    1.2934789 
+     440    5.2613502    1518.1412    1794.5719    240.91304   -276.43077    531.12246    893.04683     188.1283            0   -667.41934    513778.75   -515000.06    1448.9344    26771.955    343.49864    1.2323194 
+     460     5.474973    1455.6369    1796.1847    241.12955   -340.54775    527.17043    846.65061    188.73693            0   -650.46422     513749.2   -515001.84    161.63078    26825.587    343.80003    1.2432983 
+     480    5.6766918    1423.3951    1780.4686    239.01974   -357.07349    555.37302    861.62016    179.25213            0    -642.3686    513685.22   -514996.17    1728.4109    26870.018    340.77367    1.2753301 
+     500    5.8963647    1414.5107    1792.5124    240.63656   -378.00171    562.06965     865.1732    172.51081            0   -638.43613    513657.38    -514996.7    2852.5688     26914.25    343.08652    1.2642269 
+     520    6.1024427    1359.8646    1801.0839    241.78725   -441.21931    573.29268    804.68005    169.59419            0   -635.98014    513644.06   -514996.86    917.97283    26965.499    344.72952     1.264948 
+     540    6.3182905     1320.129     1763.768    236.77776   -443.63898    564.54015    851.18104    169.65891            0   -632.69528    513601.13   -514997.45    393.78094    27008.775    337.59196    1.2311182 
+     560    6.5340965    1288.8769    1741.0597    233.72927   -452.18283    588.80641     843.7906    164.29947            0   -639.61003    513594.25   -515003.72    2022.6586    27046.802    333.24957    1.2004945 
+     580     6.738924    1250.8612    1701.7462    228.45162   -450.88502    575.95012    877.76059    153.10544            0   -632.21312    513575.06   -515000.54    319.43567     27087.59    325.68988     1.258461 
+     600    6.9839265    1237.7875     1721.861    231.15193    -484.0735     586.2774    851.82884    147.45104            0   -635.34134     513566.1   -515000.39   -1495.8007    27125.397    329.56435    1.2147693 
+     620    7.1886187    1255.6883    1741.6598    233.80983   -485.97147    593.81316    838.06474    152.61844            0   -618.48814    513546.09   -514998.07   -239.76675    27153.275    333.35756    1.2207133 
+     640     7.403686     1231.453    1734.6085    232.86323   -503.15553    592.94732    847.14537    157.31902            0   -622.72191    513517.06    -514994.9     1262.739    27174.105    331.96914    1.3100227 
+     660    7.6087363    1205.9453    1720.7921    231.00844   -514.84686    605.97637    844.61854    156.72343            0   -608.38182     513480.7   -514994.48    541.26917    27199.495    329.34901    1.2412012 
+     680    7.8241618      1168.82    1693.3809    227.32862    -524.5609    610.91696    859.82389     152.3176            0   -616.40743    513464.95   -514996.17   -529.37821    27221.433    324.05587    1.3283313 
+     700    8.0318077    1139.7968    1686.9214    226.46146   -547.12461    600.49589    835.94756    154.05863            0    -606.7429    513467.63   -514998.52    679.06473    27236.703    322.81056    1.3423643 
+     720    8.2363923    1092.9537    1676.7232    225.09239   -583.76953    599.79941    810.70949    154.32485            0   -586.40642    513433.08   -514995.27   -585.69662    27255.925    320.84689    1.3625931 
+     740    8.4505181    1128.5561     1686.198    226.36434   -557.64189    608.39888    814.40376    148.31341            0   -576.35219    513440.47   -514992.87    1244.5446    27274.826    322.70284    1.2739521 
+     760    8.6553326    1117.7278    1739.2464    233.48585   -621.51863     612.4462    767.55338     143.8046            0   -557.71655    513408.23   -514995.84    1093.5729    27295.505    332.85864    1.3081834 
+     780    8.8741109    1106.8963    1694.5955    227.49166   -587.69917    621.94129    814.60472    148.54444            0    -544.5269    513368.24    -514996.5     1020.894    27319.829    324.31438    1.2670368 
+     800    9.0792463    1119.8416    1718.8899    230.75307   -599.04828    615.79521    822.09893    150.20192            0   -544.21016    513354.51   -514997.44   -145.29684    27346.503    328.96744      1.27833 
+     820    9.2923503    1100.7099    1661.8207     223.0918   -561.11086    634.74953    843.11877    146.78045            0   -554.19608    513367.17   -514998.73     1869.737    27372.705    318.03624    1.2563109 
+     840    9.4957469    1050.0874    1692.7796    227.24789   -642.69222    601.30056    816.98683    139.43809            0   -553.50651    513352.19    -514999.1    1348.2664    27400.511    323.96534    1.2729707 
+     860    9.7094629    1042.7553    1659.2043    222.74056   -616.44901    621.75625    821.47309    138.21191            0   -555.05691    513354.19   -514997.03    -727.5674    27429.255    317.50236    1.3339135 
+     880    9.9195423    1033.8676    1659.2249    222.74333   -625.35739    603.51906    847.42057    149.36712            0   -565.95565    513337.79    -514997.5   -313.44149    27451.297    317.53888    1.2570577 
+     900    10.142613    1033.7624    1637.6339    219.84483   -603.87149    622.06547    811.88787    155.52952            0   -542.52312    513343.54   -514994.37    1047.3137     27471.84    313.40683    1.2403795 
+     920    10.345829    1008.6446    1641.2497    220.33024   -632.60508    603.07732    856.65655    154.41458            0   -548.68151    513295.17   -514993.24    103.24221    27494.927     314.0879    1.2685922 
+     940    10.547752    1014.9632    1643.6054    220.64648   -628.64224    651.79962    816.08408    149.02041            0   -527.85081    513276.54   -514994.23   -364.67163    27515.823    314.56245    1.2150283 
+     960    10.760628    1032.4206    1694.3296    227.45598   -661.90901    631.32636    826.29861    143.25116            0   -525.82257    513258.93   -514995.89    1416.1446     27534.39    324.25519    1.2878583 
+     980     10.96867     997.2143     1637.471    219.82297   -640.25673    649.17389    840.91105    145.10691            0   -527.22384    513248.84   -514997.07    1027.4324    27556.624    313.33467    1.3359011 
+    1000    11.181152    980.70328    1679.6252    225.48198   -698.92196    616.29851    808.49173    143.96963            0     -518.492    513246.09   -514995.28    328.95214    27580.508    321.45785      1.23763 
+    1020    11.385127    964.62633    1655.3416    222.22201   -690.71527    637.09502    844.75137    135.25445            0   -525.02956    513212.27   -514995.06    80.148272    27602.021    316.79063    1.2656102 
+    1040    11.594135    956.01316    1683.0451    225.94108   -727.03194    631.81212    818.33077     128.9891            0   -520.68359    513210.27   -514995.75    470.78306    27620.292    322.12502    1.2135338 
+    1060    11.787688    933.22039    1693.9231     227.4014   -760.70274    646.39135    803.29817    130.04881            0   -528.24124    513182.71   -514994.91     239.4629    27638.164    324.20286    1.2314242 
+    1080    12.019302    924.08701    1655.3855     222.2279   -731.29849    657.61421    824.59227    129.04796            0   -511.96678    513168.73   -514999.31    303.67371    27653.716    316.81728     1.223067 
+    1100    12.213108    898.91261    1623.3761    217.93078   -724.46344    664.01917     828.5969    133.99752            0    -516.0614    513164.69   -514999.71   -222.62542    27666.941    310.68427    1.2153994 
+    1120     12.41604    853.75082    1604.1305    215.34715   -750.37966    641.42123     819.9451    135.53827            0   -522.84677    513174.17   -514998.61   -712.60931    27680.156    306.99082    1.2247886 
+    1140    12.609285    856.11685    1597.8188    214.49984   -741.70197    667.36627    802.82977     138.4139            0   -519.32453    513168.41    -514999.4   -102.39627    27691.615    305.78084     1.224836 
+    1160    12.804644    841.06502    1588.8444    213.29507    -747.7794    639.48731    820.18846    145.23411            0   -514.61341    513163.68   -515001.76    -1183.509    27699.206    304.05355    1.2408942 
+    1180    13.054664    860.51613    1621.2063     217.6395   -760.69016    641.94901    812.05607    135.63519            0   -518.65348    513173.02    -515004.7    281.47746     27701.81    310.24087    1.2817118 
+    1200    13.250304    837.02718    1605.8013    215.57145   -768.77412    647.08878    819.62137    134.70383            0   -535.25329    513169.92   -515004.85   -741.61789    27704.108    307.27044    1.3202509 
+    1220    13.454972    847.88424    1630.4606    218.88185   -782.57635    632.73877    814.55949    134.45986            0   -543.58866    513187.28   -515008.03    301.16905    27705.337    312.02884    1.2480776 
+    1240    13.650697     847.8463    1613.1526    216.55833    -765.3063    657.26308    817.09263    131.44411            0   -533.77746    513168.85   -515006.17    -1738.246    27705.837    308.69599    1.2825009 
+    1260    13.848417    864.10938    1604.3359    215.37473   -740.22655    654.64386    830.80471    136.50167            0   -518.80899    513162.82   -515006.19   -457.58037    27701.516    306.99469    1.3056189 
+    1280    14.058141    892.58539     1622.354    217.79358   -729.76865    654.56025    853.72132    146.37045            0   -502.50853    513124.64   -515006.56    1617.9621    27698.218    310.47185    1.2538957 
+    1300     14.25655    910.15714    1649.6144    221.45317    -739.4573    669.55948    824.60696    152.88156            0   -495.91044    513118.29   -515008.89   -947.37179    27701.819    315.68715    1.2786016 
+    1320    14.462712    881.86464    1653.5515    221.98169   -771.68682    667.15825    811.67934    146.31009            0   -501.83979    513113.06   -515008.06   -836.07194    27703.296    316.44487    1.2716419 
+    1340     14.66221    870.89257    1685.0409    226.20901   -814.14836    639.83879     820.7611    137.05399            0   -502.59799    513100.73   -515009.93    1322.9199    27705.806    322.51431    1.1950205 
+    1360    14.876581    853.37228    1650.3504    221.55197   -796.97814    646.59807    828.89771    128.53685            0   -518.68585    513127.01   -515009.33   -685.77178     27711.07    315.84173    1.2552323 
+    1380     15.07645    846.05537    1652.3957    221.82654   -806.34037    655.80177    845.42057    123.99858            0   -508.17399    513084.95   -515008.34   -1611.4393    27715.739    316.20591    1.3081133 
+    1400    15.290876    845.61911    1643.3419     220.6111   -797.72277     681.7704    794.40988    122.51167            0   -491.96431     513103.8   -515008.25    1340.3832    27715.764    314.49703     1.249787 
+    1420    15.489104    803.39863    1630.1296    218.83742   -826.73099    671.35628    807.63619    122.01003            0   -484.93762    513065.22   -515008.01    1599.9415     27715.83    311.97673    1.2205741 
+    1440    15.695448    798.11794    1586.2583    212.94789   -788.14035     691.5246    832.65594    120.76201            0   -465.82995    513043.17   -515010.42    693.27083    27722.616    303.53977    1.2829192 
+    1460     15.91282    786.25408    1614.9027    216.79327   -828.64859    657.62541    813.69119    123.75957            0    -476.8708    513064.69   -515011.54    411.32225     27731.39    309.03286    1.2785029 
+    1480     16.12012    763.25782    1608.2178    215.89585   -844.95995    668.25992     798.0135    125.60791            0    -501.0795    513074.18   -515009.94    -210.6788    27739.429    307.75344    1.2722038 
+    1500     16.31711     742.2781    1642.6489    220.51807    -900.3708    642.57755    747.85628     128.7751            0   -506.59888    513093.85   -515006.83    657.03263    27745.692    314.34071    1.3056262 
+    1520    16.523088     729.1993    1560.7352    209.52153   -831.53586     684.2385     779.3475    135.75119            0   -498.45899    513072.79   -515005.21    64.426284    27753.859    298.64905     1.276366 
+    1540    16.719949    744.18971    1581.6321    212.32685   -837.44244    684.68705    806.72314    139.08406            0   -507.07664    513045.21   -515006.07    -1592.594    27760.726    302.65236    1.2826649 
+    1560    16.955894    732.25034    1589.2114    213.34434   -856.96111    671.90468     790.0602    135.77523            0   -516.63197     513069.7   -515007.77   -483.90212    27760.814    304.08818     1.324249 
+    1580    17.152081    767.01867    1612.3153    216.44593   -845.29663     682.6108    787.28261     132.5621            0   -507.32097    513069.61   -515010.04    -555.1036    27759.537    308.50615    1.3501402 
+    1600    17.357651    765.40129    1608.2406    215.89892    -842.8393    685.49537    792.49876    133.14916            0   -503.66586    513056.44   -515006.76    205.34219    27753.467    307.76245    1.2628065 
+    1620     17.55409    772.17408    1631.4594    219.01594   -859.28536    668.94991    789.22477     139.7312            0   -488.80931    513038.28   -515006.66    869.15057    27745.263    312.19213     1.312809 
+    1640    17.750204    790.00313    1585.8898    212.89842   -795.88666      698.581    834.90324    141.30234            0    -480.2032    513014.32   -515004.79    425.63098    27741.564    303.48802    1.2388328 
+    1660      17.9655    747.54165    1583.9657    212.64013    -836.4241    681.84949    818.22116    144.32659            0    -480.9488       513005   -515004.87    393.07342    27741.508    303.09446    1.2953283 
+    1680    18.160659    733.30069    1561.2237    209.58711   -827.92298    700.21145    825.04894    140.46392            0   -471.32136    512986.07    -515008.4    358.86819    27742.435    298.74386    1.2734665 
+    1700    18.356133    711.44468    1578.4996    211.90632   -867.05487    695.93174    805.45219    136.97231            0   -472.62368    512976.67   -515009.46     536.5943    27744.152    302.06506    1.2553362 
+    1720    18.560144    721.96636     1575.331    211.48095   -853.36463    702.17681    830.22534    135.88637            0   -477.83518    512966.99   -515010.81   -645.91282    27748.165    301.45254    1.2652763 
+    1740    18.756074    711.63956    1586.0957    212.92606   -874.45612     689.4748    798.79974    136.08847            0   -473.58719    512984.43   -515009.66   -1624.8445    27748.356    303.52048    1.2551975 
+    1760    18.958437    724.24881     1594.573     214.0641   -870.32418    693.92297    821.07919    134.86949            0     -499.044    512991.53   -515012.68   -67.704697    27743.489    305.14895    1.2473787 
+    1780    19.161341    715.10685    1646.5039    221.03559   -931.39709    696.96446     758.9442    137.66678            0   -506.22154    512995.87   -515014.62   -40.253747     27743.38    315.10841    1.2414332 
+    1800    19.355029    729.61134    1620.3158    217.51995   -890.70444    705.93766    795.61246    140.68696            0   -489.30347    512967.54   -515011.18   -766.11724    27742.605     310.0618    1.2972844 
+    1820     19.55902    729.31305    1608.8589    215.98192   -879.54588    679.10327    811.20714     148.4305            0     -487.995    512981.33   -515011.62   -171.78807    27733.221    307.90957    1.1975335 
+    1840    19.753109    755.00585    1604.0683    215.33881   -849.06248     704.5529    836.72831    145.47772            0   -486.71807    512964.36   -515013.46    214.63499    27724.953    306.97134    1.2429474 
+    1860    19.967638      750.425    1611.9697    216.39953   -861.54467    681.08979    817.41958    140.85922            0   -481.23461    512994.18   -515013.86    458.39691    27723.378     308.4884    1.2369562 
+    1880    20.162438    731.26375    1599.4322    214.71642   -868.16842    699.34308    809.01864    139.89206            0   -501.58244    512999.06    -515013.9   -1549.9632    27725.425    306.09592     1.211311 
+    1900    20.356956    708.62541    1610.6874    216.22739   -902.06199    683.06943    810.51769    134.55613            0   -508.02851    512990.33    -515012.5    675.39868    27720.583    308.23181    1.2620963 
+    1920    20.560648    703.81181    1586.8847    213.03199    -883.0729    690.93049    825.78591    131.84894            0   -498.42445    512977.68    -515010.9    367.15667    27713.888    303.69961    1.1917227 
+    1940    20.754765    701.93422    1590.5107    213.51875   -888.57645    687.55932    818.62417    128.12087            0   -485.00453    512971.02    -515008.9    1457.2723    27711.175     304.3668    1.2586653 
+    1960    20.966151    702.58467    1615.2174    216.83553   -912.63277      695.227    811.79161    131.25635            0   -468.08028    512925.61   -515008.44    812.93978    27708.617    309.10899    1.2402714 
+    1980    21.169778    704.12312    1614.6957    216.76549    -910.5726    710.51045    811.95687    140.34792            0   -452.87904    512887.51   -515008.02   -604.37886    27705.003    309.00871     1.242271 
+    2000    21.363046    700.52702    1604.4991    215.39664    -903.9721    726.08016    810.67383    139.90807            0   -443.00664    512870.59   -515008.22    148.09738     27699.21    307.02152    1.3180547 
+Loop time of 21.3631 on 4 procs for 2000 steps with 3000 atoms
+
+Performance: 4.044 ns/day, 5.934 hours/ns, 93.619 timesteps/s
+97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 10.835     | 11.289     | 12.258     |  17.2 | 52.85
+Bond    | 0.4537     | 0.48285    | 0.50792    |   3.1 |  2.26
+Kspace  | 4.2572     | 5.2354     | 5.6853     |  25.4 | 24.51
+Neigh   | 0.54701    | 0.5472     | 0.54747    |   0.0 |  2.56
+Comm    | 0.60596    | 0.64067    | 0.67884    |   3.8 |  3.00
+Output  | 0.0058618  | 0.0073152  | 0.011671   |   2.9 |  0.03
+Modify  | 2.769      | 2.9549     | 3.1306     |   8.9 | 13.83
+Other   |            | 0.2055     |            |       |  0.96
+
+Nlocal:    750 ave 757 max 742 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Nghost:    5838 ave 5894 max 5784 min
+Histogram: 1 0 1 0 0 0 0 1 0 1
+Neighs:    175398 ave 186533 max 165750 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+
+Total # of neighbors = 701594
+Ave neighs/atom = 233.865
+Ave special neighs/atom = 10.5
+Neighbor list builds = 53
+Dangerous builds = 0
+Total wall time: 0:00:21
diff --git a/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.1 b/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.1
new file mode 100644
index 0000000000..f6d4d7452e
--- /dev/null
+++ b/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.1
@@ -0,0 +1,286 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
+kspace_style pppm 1.0e-4
+
+read_data data.ethanol
+  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  3000 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  2750 bonds
+  reading angles ...
+  3250 angles
+  reading dihedrals ...
+  3000 dihedrals
+  5 = max # of 1-2 neighbors
+  6 = max # of 1-3 neighbors
+  10 = max # of 1-4 neighbors
+  11 = max # of special neighbors
+
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
+pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
+pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
+pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
+pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
+pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
+pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
+pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
+pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    1 thole 2.051000
+pair_coeff    1    2 thole 1.580265
+pair_coeff    1    4 thole 1.416087
+pair_coeff    1    6 thole 2.051000
+pair_coeff    1    7 thole 1.580265
+pair_coeff    1    8 thole 1.416087
+pair_coeff    2    2 thole 1.217570
+pair_coeff    2    4 thole 1.091074
+pair_coeff    2    6 thole 1.580265
+pair_coeff    2    7 thole 1.217570
+pair_coeff    2    8 thole 1.091074
+pair_coeff    4    4 thole 0.977720
+pair_coeff    4    6 thole 1.416087
+pair_coeff    4    7 thole 1.091074
+pair_coeff    4    8 thole 0.977720
+pair_coeff    6    6 thole 2.051000
+pair_coeff    6    7 thole 1.580265
+pair_coeff    6    8 thole 1.416087
+pair_coeff    7    7 thole 1.217570
+pair_coeff    7    8 thole 1.091074
+pair_coeff    8    8 thole 0.977720
+
+group gETHANOL molecule 1:250
+3000 atoms in group gETHANOL
+group gATOMS type 1 2 3 4 5
+2250 atoms in group gATOMS
+group gDRUDES type 6 7 8
+750 atoms in group gDRUDES
+
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 300.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gATOMS  create ${vTEMP} 12345
+velocity gATOMS  create 300 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N C N D D D
+
+fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
+  250 = # of size 2 clusters
+  250 = # of size 3 clusters
+  250 = # of size 4 clusters
+  0 = # of frozen angles
+
+comm_modify vel yes
+compute cTEMP_ATOM gATOMS temp
+compute cTEMP all temp/drude
+
+fix fDTDIR all drude/transform/direct
+fix fNPT gATOMS npt temp ${vTEMP} ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso 1 ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso 1 1 500
+fix_modify fNPT temp cTEMP_ATOM press thermo_press
+WARNING: Temperature for fix modify is not for group all (src/fix_nh.cpp:1404)
+fix fNVT gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 100.0
+fix fNVT gDRUDES nvt temp 1 ${vTEMP_D} 100.0
+fix fNVT gDRUDES nvt temp 1 1 100.0
+fix fDTINV all drude/transform/inverse
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 20
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.379738
+  grid = 30 30 30
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0289979
+  estimated relative force accuracy = 8.73262e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 50653 27000
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 11
+New max number of 1-2 to 1-4 neighbors: 11 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 22.48 | 22.48 | 22.48 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170210.19    22094.109    381.62759    10.134301 
+      20   0.82186079    11385.283    5995.2608    804.83624    5390.0219    2039.7455    2312.5467     131.6964            0    1710.3725    514098.33   -514902.67    75869.034    22408.215    975.27381    406.07545 
+      40    1.7293625     9812.345    6009.1868    806.70574    3803.1582    1442.3552    1826.1503    275.19417            0      1288.22    513934.99   -514963.75     48672.13    22980.211    1057.0198    221.56388 
+      60    2.5726278    8857.8006    5779.5918    775.88366    3078.2088    1190.8886    1938.5953    328.68401            0    619.17987       513971   -514970.14    39706.347    23441.277    1050.8999    133.14459 
+      80    3.4535189    8115.6222    5997.8743    805.18709    2117.7479    901.83124    1587.5299    325.40736            0    288.22238    513957.46    -514942.7    37586.493    23835.221    1111.6406    89.055348 
+     100    4.2757752     7496.057    5770.3042    774.63685    1725.7528    829.61731    1420.6409    325.39973            0    62.226626    514051.66   -514963.79    27290.384    24226.433    1080.2534    60.498681 
+     120    5.1343639    6986.3331    5396.8054    724.49634    1589.5277    678.23213    1535.5139    325.88286            0   -9.8121501     514027.1   -514967.39    21714.378    24578.965    1016.2738    42.716174 
+     140    5.9375162    6548.6966    5126.4765    688.20593    1422.2201    724.92776    1477.7366    315.11557            0   -99.615083    513960.65    -514956.6    19741.549     24878.09    969.48208    30.977308 
+     160    6.7352271    6130.9708    5000.2242    671.25714    1130.7466    703.21482    1302.0806     314.9338            0   -258.62211    514042.38   -514973.24    23045.182    25144.056    948.68855    23.022183 
+     180    7.5256455    5749.5567    4700.6896      631.046     1048.867    674.90328    1301.3631    310.04329            0   -326.92492    514044.37   -514954.88    14218.695     25401.78    893.70987    17.322259 
+     200    8.3062081    5429.1755    4392.2849    589.64408    1036.8906    611.96666     1296.169    303.15486            0    -300.5535    514093.83   -514967.68    10827.179    25624.937    836.11247    13.764989 
+     220    9.0794528      5133.41    4290.3608    575.96124    843.04924    572.47213    1261.7692    289.97557            0   -383.86544    514078.49   -514975.79      12503.3    25816.637    817.71346    11.104784 
+     240    9.8436809    4849.9512    4119.9044    553.07825    730.04677    553.72774     1263.639    278.92306            0   -487.89901    514091.57   -514969.91    10886.302    25998.932    785.78404    9.3606461 
+     260    10.605034    4583.5435    3910.7331    524.99797    672.81042    541.41982    1175.0582    273.43969            0   -475.41044    514139.92   -514981.62    8078.6171    26172.119    746.49788    7.4648407 
+     280    11.362397      4348.81    3691.9428    495.62637    656.86725     598.7722    1148.0372    278.86509            0   -444.28194     514045.6   -514970.12    5115.8688    26326.635    704.97777    6.4789284 
+     300    12.115575     4128.489    3579.1998    480.49114     549.2892    583.98038     1089.487    267.65383            0    -457.0616    514043.78   -514978.55    8341.4597    26460.833    683.88483    5.2652332 
+     320    12.823282    3913.3823    3456.6176    464.03504    456.76476    556.22095    1103.3421     263.7791            0   -485.68641    514000.55   -514981.44    9109.6369    26597.284    660.68384    4.5691163 
+     340    13.570274    3712.2734    3258.0793    437.38219    454.19409    533.60879    1068.9434    271.82635            0   -454.64507    514002.17   -514967.71    7179.0605    26741.746    622.91874    3.8804069 
+     360    14.315206    3532.9579    3023.6802    405.91518    509.27768    522.48836    1104.2686    276.28278            0   -456.22486    514036.79   -514974.33     4545.215    26882.126    578.23151    3.3025371 
+     380    15.055002     3366.746    2970.7631     398.8113    395.98299    508.12217    1059.1562    257.91185            0   -499.79406    514032.85   -514962.26    5636.5329    27008.105    568.28965     2.830075 
+     400     15.75335    3204.5091     2873.415    385.74277    331.09416    543.77882    1018.7946    231.10838            0   -519.43553    514029.65   -514972.81    7243.9791     27130.53    549.73386    2.5825543 
+     420    16.480976    3050.3022    2775.7673    372.63402    274.53487    517.37336    953.14854    225.86836            0   -505.67105    514057.58   -514973.77    4018.2502    27257.578    531.12039    2.3356262 
+     440     17.20372    2915.9612    2639.1922    354.29944    276.76899    507.07374    983.90795    236.07195            0   -534.71742    514060.31   -514975.87    1699.7076    27372.134    505.04906    2.0779128 
+     460    17.925103    2787.2795    2609.7668    350.34921    177.51264    485.49348     933.6558    234.43516            0   -560.63202    514070.07   -514985.51    3390.2752    27466.686    499.52337    1.8090485 
+     480    18.647898    2662.2222    2514.1136    337.50821    148.10854    464.53566    928.19247    239.15967            0   -570.39028    514071.12    -514984.5    5075.4159    27556.806    481.25552    1.6478036 
+     500    19.332267    2540.2584    2432.8576    326.59997    107.40071    473.20947    888.84623    239.12328            0   -565.53809    514057.83   -514986.07    3129.6192    27653.186    465.74774     1.486379 
+     520    20.047809    2431.9884    2374.7243    318.79583    57.264134    460.05267    838.76564    228.73042            0    -579.0486    514094.39   -514985.63    462.28535    27743.092    454.64978    1.3782218 
+     540    20.762916    2328.6134    2274.6313    305.35881    53.982075    473.12149    875.45698    220.60795            0   -604.15461    514076.11   -514987.16    2622.3468    27815.745    435.47546    1.3461692 
+     560    21.477821    2228.4408    2278.1084    305.82559   -49.667558    455.45537    820.96545    214.46954            0   -604.66916    514053.07   -514988.96    3774.7454     27887.17    436.23203     1.136117 
+     580    22.156966    2134.2145    2127.7975    285.64705    6.4169804    480.53632    836.99951    218.25579            0   -563.43994    514020.11   -514986.04    1347.9073    27963.805     407.4267    1.1136558 
+     600    22.868461    2048.3341    2102.8549    282.29862   -54.520854     486.1799    795.85772    224.19443            0   -574.58492       514004   -514990.16    -100.5692    28031.415     402.6784    1.0360651 
+     620    23.582384    1967.2649    2050.2745    275.23994   -83.009549    477.31366    785.52916    222.26776            0    -570.5843    513998.54   -514996.08    1809.6235    28084.448    392.60381    1.0239108 
+     640     24.25969    1887.8882    1984.0464    266.34912   -96.158235    482.78351    800.40092    220.19212            0   -557.48535    513952.64   -514994.69    3804.7495    28138.319    379.94961   0.92618662 
+     660    24.968904    1812.5853    1960.7266    263.21855    -148.1413    497.47994    750.65798    215.15703            0   -556.35598    513938.64   -514993.72    1173.0953    28202.964    375.50038    0.8766551 
+     680    25.642951    1744.2287    1912.3074    256.71848   -168.07864    497.12304    725.28297    210.74936            0    -554.7656    513943.75   -514990.22    81.489372    28262.329    366.24876   0.80553628 
+     700    26.349596    1677.5524    1912.8593    256.79258   -235.30692    490.36723    720.72019    204.81758            0   -570.32399    513908.13   -514989.01    2139.1872    28311.757    366.38002   0.74614938 
+     720    27.054473    1611.7133    1859.3776    249.61291   -247.66437    499.44111    727.86981    195.52975            0   -552.65485    513871.24   -514989.09    3009.9637    28365.384    356.12743   0.74621105 
+     740    27.725048     1549.685    1790.3493    240.34617   -240.66425    496.25123    737.75419    180.00468            0   -548.11159    513879.93   -514986.49    718.56841    28427.109    342.91326    0.7024951 
+     760    28.446277    1492.9982    1801.2374    241.80786   -308.23923    502.49459    708.38808    172.24218            0   -560.93888    513860.87    -514991.3   -859.12137    28481.474    345.01555    0.6674887 
+     780    29.148375    1436.9239    1823.9643    244.85884    -387.0404    509.26814    663.93976    171.61087            0   -556.48284    513815.66   -514991.04    1168.7449    28521.446    349.36331    0.6885803 
+     800    29.818515    1382.5968    1737.4206    233.24074   -354.82378    513.00178    695.57772    172.42262            0   -552.28591    513804.68   -514988.22     1805.011    28561.249    332.78321   0.66397175 
+     820    30.524059    1332.0207    1689.2759    226.77754   -357.25521    509.51717    686.84564    172.57648            0   -548.44359    513812.21   -514989.96   -66.311617    28604.787    323.58511   0.59083949 
+     840    31.201142    1285.6252    1683.5729    226.01193   -397.94769    507.59079    662.90068    169.36995            0   -553.69874    513804.36   -514988.47   -621.19538    28640.472    322.48932   0.59667555 
+     860    31.914963    1240.0349    1703.7814    228.72483   -463.74645    497.11887    658.78716    169.54588            0   -569.52851    513767.79   -514987.46    792.58789    28666.426    326.36247   0.59868606 
+     880    32.585058    1195.4713    1670.1212     224.2061   -474.64983    499.64545    651.51445    170.02281            0   -554.71997    513740.96   -514982.07    1233.1339    28693.075    319.91881   0.57749338 
+     900    33.283366    1153.5526    1643.4626    220.62731   -489.90999    500.29806    640.14014    177.39649            0   -558.06916    513735.19   -514984.87   -525.66059    28722.393    314.81615    0.5591618 
+     920    33.951266    1114.6093    1618.9458    217.33604    -504.3365    511.75888    633.60684    175.10475            0   -554.17306    513720.73   -514991.36   -1519.3862    28743.137    310.10475   0.58591773 
+     940    34.650169    1076.5361    1629.6248    218.76965   -553.08868    510.90659    619.76241    167.78799            0   -557.43468    513695.73   -514989.85    296.76427    28751.218    312.16525   0.55489087 
+     960    35.315701    1040.3478    1609.1044    216.01487    -568.7566    511.15544    602.92746    166.01646            0   -548.67061    513692.97   -514993.15    742.32048    28759.401    308.22081   0.57967815 
+     980    36.013822    1006.0783    1560.5473    209.49631   -554.46902    516.03243    629.22012    171.82488            0   -544.97376    513663.64   -514990.21   -1243.6962    28769.845     298.9291   0.54046046 
+    1000    36.709116    974.24875    1558.0215    209.15723   -583.77273     506.6472     601.9316    165.11551            0   -553.06573     513688.1    -514992.5   -1282.1536    28770.759    298.43904   0.55412832 
+    1020     37.34906    943.47684    1567.4776    210.42667   -624.00074     507.7679    618.07297    152.13649            0   -569.64661    513661.22   -514993.55   -186.03132    28762.516    300.24615   0.56731507 
+    1040    38.021245    913.48747    1599.9646     214.7879   -686.47709    487.43669    574.25818    153.42118            0   -593.34764    513684.82   -514993.06    479.26449    28754.262    306.47982   0.55368609 
+    1060    38.667195    884.53789    1558.1773    209.17815   -673.63945    500.21603    593.70139    157.67768            0   -604.58442    513672.34   -514992.99   -2207.1953     28748.02    298.45285   0.59162362 
+    1080    39.342256    857.28828    1538.9142    206.59217   -681.62596    503.64978    574.76485    165.14388            0   -584.10927    513643.02   -514984.09   -1836.7583    28728.357    294.75731   0.59805527 
+    1100    39.987321    832.19678    1479.2179    198.57822   -647.02114    514.08633    608.91942    165.26491            0   -569.63464    513616.87   -514982.52   -27.127273    28698.734    283.30588   0.61555857 
+    1120    40.665662    809.16107    1516.8748    203.63348   -707.71373    513.27211    567.99212    169.86948            0    -560.7949    513584.25    -514982.3   -372.41735    28671.493    290.52752   0.60920143 
+    1140    41.313559    787.50744    1484.3806    199.27128   -696.87314    526.25364    582.78208    167.73401            0    -550.7679    513559.52    -514982.4   -1728.2274    28644.545    284.28679    0.6360583 
+    1160    41.993408    767.41852    1497.6302    201.04998   -730.21173     515.9345    580.51745    159.02047            0   -534.99467    513529.39   -514980.08   -1872.4418    28608.964    286.81617   0.66081293 
+    1180    42.642904    750.18943    1492.2376    200.32605   -742.04816    532.34349     570.6807    154.35233            0   -512.26701    513492.93   -514980.09    926.11765    28566.848    285.74878   0.73922998 
+    1200    43.293101    735.32682    1504.5521    201.97921   -769.22524     536.2319    594.47464    155.80234            0   -515.01641    513442.47   -514983.19    33.948973    28534.509    288.11106   0.73558261 
+    1220    43.977824    720.73905    1495.8029    200.80467   -775.06381    558.11107    561.07651    159.20703            0   -503.03817    513434.59   -514985.01   -986.07615    28506.699    286.43244   0.73880049 
+    1240    44.630923    707.60909     1486.697    199.58224   -779.08789    564.73341     574.9815    160.19665            0   -467.65622    513371.76    -514983.1    39.386144    28476.751    284.65743    0.8073656 
+    1260    45.316338    696.90935    1495.2634    200.73224   -798.35401    576.91144    565.71232    154.53813            0   -455.98096    513344.03   -514983.57    859.74504    28450.875    286.27774   0.85844048 
+    1280    45.972141    687.90416     1485.152    199.37484   -797.24786     581.1043    593.28449    150.90626            0     -447.852    513310.83   -514985.52     746.2051    28434.182    284.33627   0.86567683 
+    1300    46.659596    680.05111     1479.108    198.56346   -799.05687    585.50039    589.75255    148.14575            0    -422.7668    513283.23   -514982.92   -524.66474    28424.119    283.14576   0.93998516 
+    1320    47.315349    673.52979    1476.4577    198.20767    -802.9279    572.81659    595.26192    147.37054            0   -424.83034    513287.53   -514981.08    106.77633    28412.923    282.64612   0.92033657 
+    1340    48.004338    668.69073    1484.7214    199.31704   -816.03069     582.3039    588.40727    153.74406            0   -434.27973    513271.16   -514977.36    731.28971    28403.842    284.19266    1.0081579 
+    1360    48.666622    665.51033    1519.3878    203.97084   -853.87752    575.99453    554.12668    159.19953            0   -458.43153    513293.36   -514978.13    422.98973    28400.634    290.81807    1.0553453 
+    1380    49.357293    663.82821    1467.8065    197.04629   -803.97832    578.21925    592.65789    156.17923            0   -458.90398    513308.34   -514980.47   -203.04754    28400.637    280.90634    1.1101023 
+    1400    50.048356    663.49309    1516.9007    203.63695   -853.40759    571.04838    580.61589    146.23345            0   -462.76173    513293.95    -514982.5   -448.98731    28399.279    290.29749    1.1575012 
+    1420    50.708454    664.15896    1499.9167    201.35693   -835.75773    566.58488    603.52748    148.50712            0   -471.56553    513299.67   -514982.48    260.66933    28395.449    287.02615    1.1936028 
+    1440    51.401936     665.7749    1505.3913    202.09187   -839.61636    568.31696    588.02115    157.51085            0   -462.77296    513294.54   -514985.23    686.32226    28393.937     288.0844    1.1731726 
+    1460    52.062043    668.60203    1501.3101    201.54398   -832.70805    581.33476    579.96642    157.99886            0   -456.96282    513291.57   -514986.61     -271.294    28396.763    287.25414    1.2848928 
+    1480    52.756437    672.78069    1509.7227    202.67334   -836.94203    577.59283    567.71153     162.7344            0   -467.11093    513309.03    -514986.9   -936.72661    28397.351    288.85976    1.3014708 
+    1500    53.420877    678.15981    1516.2442    203.54882   -838.08436      568.973    592.07243    169.01021            0   -495.80017     513315.7   -514988.04     88.20689    28392.187    290.08472    1.3603151 
+    1520    54.114697    684.70508    1526.4386    204.91738   -841.73356    557.42832    581.42465    168.54996            0   -496.59211    513336.95    -514989.5    515.33669    28387.812    292.03285    1.3747328 
+    1540    54.776816    692.26725    1535.4798    206.13111   -843.21253    551.89278    584.81969    156.31938            0   -472.91843     513327.8   -514991.12   -260.08916    28386.831    293.74312    1.4282442 
+    1560    55.471466    700.38373    1542.1981    207.03301   -841.81433     551.6024    611.83194    152.66068            0   -499.25336     513334.3   -514992.96   -881.89875    28383.701    295.04052    1.4061086 
+    1580    56.134557    708.58784    1550.4384    208.13924   -841.85055    556.69767    582.39421    162.30767            0   -515.06887    513365.13   -514993.31    317.46976    28375.679    296.61441    1.4196493 
+    1600    56.831572    717.16972    1560.1894    209.44826   -843.01966    549.14904    592.56757    172.02873            0   -494.96769    513331.32   -514993.12    268.64262    28369.888    298.46813    1.4559812 
+    1620    57.496371    726.01824    1544.6646    207.36413   -818.64636    564.25447     620.2534     171.6366            0   -481.33955    513299.03   -514992.48   -928.98251    28365.608    295.50693    1.4211187 
+    1640    58.192956    734.97748    1599.5833    214.73672   -864.60585    559.51067    584.21101    166.15126            0   -484.99381    513300.49   -514989.98   -395.19323    28356.094    306.02332     1.448322 
+    1660    58.859821    743.85098    1568.6598    210.58537   -824.80879    567.20594    620.40617    159.81333            0   -485.47565    513302.38   -514989.14     275.6277    28344.463    300.08676    1.4680092 
+    1680    59.556888      752.397    1614.4574     216.7335   -862.06044    567.74587    617.24576    156.34105            0   -474.64789    513259.55   -514988.29    153.36452    28335.561    308.89368    1.4040884 
+    1700    60.222487    760.11363    1574.8766    211.41996   -814.76301    589.13636    635.26767    165.24375            0   -441.39255    513225.54   -514988.56    -449.5961    28328.169    301.30175    1.4138952 
+    1720     60.92238    767.32908    1633.2653    219.25837   -865.93623    593.92768    614.12149    168.83762            0   -435.93625    513180.07   -514986.96    625.88498    28319.407    312.50976    1.3794422 
+    1740    61.588997    773.58335    1604.1264    215.34661    -830.5431    611.54553     634.6288    170.13873            0    -425.1955    513161.11   -514982.77    1258.1591    28315.688    306.93109    1.3623528 
+    1760    62.288118    778.46232    1604.1065    215.34394   -825.64421    601.28947    635.92844    169.10255            0   -409.79824    513164.39   -514986.55    923.97553    28321.077    306.93241    1.3503708 
+    1780     62.95488    782.68573    1585.9867    212.91143   -803.30098    634.82805    637.66853    173.52039            0   -396.05083    513134.96   -514988.23    308.41322    28332.765    303.45213    1.3659282 
+    1800    63.656662    786.45168    1632.4834     219.1534    -846.0317    626.46808      612.859    170.73849            0   -389.28328    513124.73   -514991.55    434.99541    28346.181    312.38153    1.3288883 
+    1820    64.322505    789.07103      1622.34     217.7917   -833.26902    631.84388    628.97419    164.08777            0   -403.37081    513135.19   -514989.99    1423.3137    28362.768    310.45751    1.2810964 
+    1840    65.020631    790.43307    1598.2845    214.56235   -807.85142    593.52496    652.49021    167.51591            0   -408.69698    513177.63   -514990.32    862.95994    28387.747    305.87197    1.2204936 
+    1860    65.687176    791.36821    1585.9825    212.91087   -794.61429    619.37616    661.00216    170.47785            0   -410.28902    513156.18   -514991.36   -22.140042    28417.059    303.51149    1.2255437 
+    1880    66.353485    791.94788    1630.1749     218.8435   -838.22706    591.52981    652.79092    178.67552            0    -433.7293    513160.08   -514987.57   -35.653011    28444.349    312.01504     1.151451 
+    1900    67.051143     791.5025    1611.2186     216.2987   -819.71613    604.66631    614.52658    185.27138            0   -426.58089    513192.07   -514989.67    1492.9051    28470.603    308.39205    1.1258287 
+    1920    67.749766    789.33745    1638.8687     220.0106   -849.53124    604.75057    634.21383    186.54046            0   -427.33715    513139.73   -514987.43    863.10157    28504.605      313.697    1.1156351 
+    1940    68.417711    786.91982    1566.7995    210.33564   -779.87972    606.00187    648.68271    182.72186            0   -430.75201    513205.37    -514991.9   -1132.9713    28541.397     299.9167    1.0327394 
+    1960    69.114583    784.25672    1592.2094     213.7468   -807.95267    595.81907    669.03472    172.75782            0   -436.10776     513181.4   -514990.86    78.431195     28569.12    304.79729    1.0106551 
+    1980    69.778898    780.04995    1637.1409    219.77865   -857.09092    606.44426    629.01991    163.80784            0   -440.75819    513180.63   -514996.23    1330.6593    28595.247    313.42473   0.97808647 
+    2000    70.476083      774.653    1633.3807    219.27386   -858.72771     607.3352    611.62149    162.37854            0    -449.5387    513203.88    -514994.4   -192.50999    28627.445    312.71969   0.94122657 
+Loop time of 70.4761 on 1 procs for 2000 steps with 3000 atoms
+
+Performance: 1.226 ns/day, 19.577 hours/ns, 28.378 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 43.881     | 43.881     | 43.881     |   0.0 | 62.26
+Bond    | 1.8093     | 1.8093     | 1.8093     |   0.0 |  2.57
+Kspace  | 10.585     | 10.585     | 10.585     |   0.0 | 15.02
+Neigh   | 2.3196     | 2.3196     | 2.3196     |   0.0 |  3.29
+Comm    | 0.38965    | 0.38965    | 0.38965    |   0.0 |  0.55
+Output  | 0.0086887  | 0.0086887  | 0.0086887  |   0.0 |  0.01
+Modify  | 11.438     | 11.438     | 11.438     |   0.0 | 16.23
+Other   |            | 0.04561    |            |       |  0.06
+
+Nlocal:    3000 ave 3000 max 3000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    10476 ave 10476 max 10476 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    658684 ave 658684 max 658684 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 658684
+Ave neighs/atom = 219.561
+Ave special neighs/atom = 10.5
+Neighbor list builds = 65
+Dangerous builds = 0
+Total wall time: 0:01:10
diff --git a/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.4 b/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.4
new file mode 100644
index 0000000000..593ed8c982
--- /dev/null
+++ b/examples/USER/drude/ethanol/log.27Nov18.ethanol.nh.g++.4
@@ -0,0 +1,286 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
+kspace_style pppm 1.0e-4
+
+read_data data.ethanol
+  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  3000 atoms
+  scanning bonds ...
+  5 = max bonds/atom
+  scanning angles ...
+  6 = max angles/atom
+  scanning dihedrals ...
+  9 = max dihedrals/atom
+  reading bonds ...
+  2750 bonds
+  reading angles ...
+  3250 angles
+  reading dihedrals ...
+  3000 dihedrals
+  5 = max # of 1-2 neighbors
+  6 = max # of 1-3 neighbors
+  10 = max # of 1-4 neighbors
+  11 = max # of special neighbors
+
+
+pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
+pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
+pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
+pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
+pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
+pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
+pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
+pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
+pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
+pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
+pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
+pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
+pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
+pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
+pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
+pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
+pair_coeff    1    1 thole 2.051000
+pair_coeff    1    2 thole 1.580265
+pair_coeff    1    4 thole 1.416087
+pair_coeff    1    6 thole 2.051000
+pair_coeff    1    7 thole 1.580265
+pair_coeff    1    8 thole 1.416087
+pair_coeff    2    2 thole 1.217570
+pair_coeff    2    4 thole 1.091074
+pair_coeff    2    6 thole 1.580265
+pair_coeff    2    7 thole 1.217570
+pair_coeff    2    8 thole 1.091074
+pair_coeff    4    4 thole 0.977720
+pair_coeff    4    6 thole 1.416087
+pair_coeff    4    7 thole 1.091074
+pair_coeff    4    8 thole 0.977720
+pair_coeff    6    6 thole 2.051000
+pair_coeff    6    7 thole 1.580265
+pair_coeff    6    8 thole 1.416087
+pair_coeff    7    7 thole 1.217570
+pair_coeff    7    8 thole 1.091074
+pair_coeff    8    8 thole 0.977720
+
+group gETHANOL molecule 1:250
+3000 atoms in group gETHANOL
+group gATOMS type 1 2 3 4 5
+2250 atoms in group gATOMS
+group gDRUDES type 6 7 8
+750 atoms in group gDRUDES
+
+
+neighbor 2.0 bin
+
+variable vTEMP   equal 300.0
+variable vTEMP_D equal 1.0
+variable vPRESS  equal 1.0
+
+velocity gATOMS  create ${vTEMP} 12345
+velocity gATOMS  create 300 12345
+velocity gDRUDES create ${vTEMP_D} 12345
+velocity gDRUDES create 1 12345
+
+fix fDRUDE all drude C C N C N D D D
+
+fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
+  250 = # of size 2 clusters
+  250 = # of size 3 clusters
+  250 = # of size 4 clusters
+  0 = # of frozen angles
+
+comm_modify vel yes
+compute cTEMP_ATOM gATOMS temp
+compute cTEMP all temp/drude
+
+fix fDTDIR all drude/transform/direct
+fix fNPT gATOMS npt temp ${vTEMP} ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso ${vPRESS} ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso 1 ${vPRESS} 500
+fix fNPT gATOMS npt temp 300 300 100 iso 1 1 500
+fix_modify fNPT temp cTEMP_ATOM press thermo_press
+WARNING: Temperature for fix modify is not for group all (src/fix_nh.cpp:1404)
+fix fNVT gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 100.0
+fix fNVT gDRUDES nvt temp 1 ${vTEMP_D} 100.0
+fix fNVT gDRUDES nvt temp 1 1 100.0
+fix fDTINV all drude/transform/inverse
+
+thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
+thermo 20
+
+timestep 0.5
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.379738
+  grid = 30 30 30
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.0289979
+  estimated relative force accuracy = 8.73262e-05
+  using double precision FFTs
+  3d grid and FFT values/proc = 17908 7200
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 11
+New max number of 1-2 to 1-4 neighbors: 11 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 10
+  ghost atom cutoff = 10
+  binsize = 5, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  (2) pair thole, perpetual, skip from (1)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 15.7 | 15.72 | 15.75 Mbytes
+Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
+       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170210.19    22094.109    381.62759    10.134301 
+      20   0.26940155    11385.283    5995.2608    804.83624    5390.0219    2039.7455    2312.5467     131.6964            0    1710.3725    514098.33   -514902.67    75869.034    22408.215    975.27381    406.07545 
+      40   0.56039548     9812.345    6009.1868    806.70574    3803.1582    1442.3552    1826.1503    275.19417            0      1288.22    513934.99   -514963.75     48672.13    22980.211    1057.0198    221.56388 
+      60   0.88414049    8857.8007    5779.5918    775.88366    3078.2089    1190.8886    1938.5954    328.68401            0    619.17987       513971   -514970.14    39706.347    23441.277    1050.8999    133.14459 
+      80    1.1696272    8115.6221    5997.8743    805.18709    2117.7478    901.83126    1587.5299    325.40736            0    288.22238    513957.46    -514942.7    37586.493    23835.221    1111.6406    89.055345 
+     100    1.4401748    7496.0571    5770.3042    774.63685    1725.7529     829.6173    1420.6409    325.39973            0    62.226624    514051.66   -514963.79    27290.384    24226.433    1080.2534    60.498679 
+     120    1.7223158    6986.3333    5396.8053    724.49634     1589.528    678.23214    1535.5139    325.88286            0   -9.8121501     514027.1   -514967.39    21714.378    24578.965    1016.2738    42.716172 
+     140    1.9845128     6548.697    5126.4765    688.20593    1422.2205    724.92774    1477.7367    315.11557            0   -99.615085    513960.65    -514956.6     19741.55     24878.09    969.48208    30.977306 
+     160    2.2419188    6130.9704    5000.2242    671.25714    1130.7463    703.21482    1302.0806     314.9338            0   -258.62211    514042.38   -514973.24    23045.181    25144.056    948.68855    23.022185 
+     180    2.4937162    5749.5572    4700.6896      631.046    1048.8675    674.90328    1301.3631    310.04329            0   -326.92492    514044.37   -514954.88    14218.696     25401.78    893.70987    17.322259 
+     200    2.7779307    5429.1755    4392.2849    589.64408    1036.8906    611.96667     1296.169    303.15487            0   -300.55349    514093.83   -514967.68     10827.18    25624.937    836.11247    13.764988 
+     220    3.0248075    5133.4101    4290.3608    575.96124    843.04929    572.47215    1261.7692    289.97559            0   -383.86544    514078.49   -514975.79    12503.299    25816.637    817.71346    11.104783 
+     240    3.2623236    4849.9512    4119.9045    553.07826    730.04673    553.72776     1263.639    278.92307            0   -487.89902    514091.57   -514969.91    10886.301    25998.932    785.78405    9.3606436 
+     260    3.4997547    4583.5434    3910.7331    524.99797    672.81028    541.41985    1175.0582    273.43967            0   -475.41047    514139.92   -514981.62    8078.6153    26172.119    746.49788    7.4648392 
+     280    3.7359712    4348.8096    3691.9428    495.62637    656.86681    598.77221    1148.0372    278.86509            0   -444.28193     514045.6   -514970.12     5115.867    26326.635    704.97778     6.478926 
+     300    3.9722769    4128.4892    3579.1998    480.49114    549.28936    583.98039     1089.487    267.65383            0    -457.0616    514043.78   -514978.55    8341.4601    26460.833    683.88483    5.2652305 
+     320    4.1924908    3913.3825    3456.6177    464.03505    456.76481    556.22097     1103.342    263.77912            0    -485.6864    514000.55   -514981.44    9109.6369    26597.284    660.68387     4.569117 
+     340    4.4220572    3712.2735    3258.0794     437.3822    454.19406    533.60886    1068.9435    271.82625            0   -454.64506    514002.17   -514967.71    7179.0608    26741.746    622.91875    3.8804079 
+     360     4.651022    3532.9576    3023.6802    405.91518    509.27748    522.48821    1104.2686    276.28277            0   -456.22485    514036.79   -514974.33    4545.2157    26882.126     578.2315    3.3025369 
+     380    4.8867376    3366.7464     2970.763     398.8113    395.98341    508.12225    1059.1562    257.91185            0    -499.7941    514032.85   -514962.26    5636.5327    27008.105    568.28964    2.8300765 
+     400    5.1070464     3204.509    2873.4151    385.74278    331.09386    543.77873    1018.7946    231.10847            0   -519.43554    514029.65   -514972.81    7243.9777     27130.53    549.73389     2.582555 
+     420    5.3353672    3050.3029    2775.7676    372.63405    274.53536    517.37318    953.14843    225.86866            0   -505.67104    514057.59   -514973.77    4018.2518    27257.578    531.12044    2.3356247 
+     440    5.5616498    2915.9614    2639.1925    354.29947    276.76893    507.07348    983.90798    236.07196            0    -534.7174    514060.31   -514975.87    1699.7058    27372.134    505.04911    2.0779123 
+     460    5.7944629    2787.2801    2609.7652    350.34899    177.51494    485.49336    933.65567     234.4359            0     -560.632    514070.07   -514985.51    3390.2812    27466.685    499.52306    1.8090438 
+     480    6.0186839    2662.2225    2514.1129    337.50812    148.10954    464.53577    928.19233    239.15956            0   -570.39024    514071.12    -514984.5    5075.4176    27556.806    481.25539    1.6478044 
+     500    6.2357466     2540.259    2432.8587    326.60011    107.40032    473.20958    888.84591    239.12382            0   -565.53821    514057.83   -514986.07    3129.6111    27653.186    465.74794    1.4863829 
+     520     6.462676    2431.9888    2374.7256    318.79601    57.263157    460.05319    838.76524    228.73041            0   -579.04849    514094.39   -514985.63    462.28097    27743.092    454.65004    1.3782188 
+     540    6.6893921    2328.6141    2274.6316    305.35885    53.982526    473.12143    875.45686    220.60764            0   -604.15443    514076.11   -514987.16    2622.3509    27815.745     435.4755    1.3461673 
+     560     6.915879    2228.4408     2278.108    305.82554   -49.667226    455.45527     820.9654    214.46985            0   -604.66926    514053.07   -514988.96    3774.7446     27887.17    436.23196    1.1361161 
+     580     7.129838    2134.2136    2127.7972    285.64701    6.4164029    480.53569     836.9992     218.2561            0   -563.43996    514020.11   -514986.04    1347.8991    27963.805    407.42665    1.1136548 
+     600    7.3513916     2048.334    2102.8555     282.2987   -54.521528    486.17968    795.85755    224.19382            0   -574.58522       514004   -514990.17   -100.56264    28031.415    402.67851    1.0360672 
+     620     7.571908    1967.2653    2050.2743    275.23991   -83.008964    477.31341    785.52964    222.26773            0   -570.58461    513998.54   -514996.08    1809.6139    28084.448    392.60377     1.023916 
+     640     7.822695    1887.8873    1984.0468    266.34918   -96.159502    482.78324     800.4011    220.19183            0   -557.48586    513952.64   -514994.69    3804.7387    28138.319    379.94969   0.92618308 
+     660    8.0473323    1812.5849    1960.7275    263.21866   -148.14251    497.48053     750.6579    215.15723            0   -556.35642    513938.64   -514993.72    1173.0782    28202.964    375.50053   0.87666213 
+     680    8.2574785     1744.229    1912.3049    256.71816   -168.07594    497.12359    725.28373    210.75068            0   -554.76517    513943.75   -514990.22    81.483029    28262.329     366.2483   0.80553356 
+     700    8.4756997    1677.5494    1912.8562    256.79217   -235.30682    490.36725    720.72028    204.81842            0   -570.32326    513908.12   -514989.01    2139.1574    28311.757    366.37944   0.74614771 
+     720    8.6941352    1611.7137    1859.3792    249.61312   -247.66551     499.4419    727.86911      195.529            0   -552.65432    513871.24   -514989.09    3009.9813    28365.384    356.12774   0.74621707 
+     740    8.9091365    1549.6852    1790.3521    240.34656   -240.66693    496.25202    737.75393    180.00372            0   -548.11093    513879.92   -514986.49    718.57423    28427.108    342.91382   0.70248974 
+     760    9.1269078    1492.9984    1801.2402    241.80823   -308.24181    502.49565    708.38773    172.24112            0   -560.93884    513860.87    -514991.3    -859.1512    28481.473    345.01608   0.66749339 
+     780    9.3445795     1436.924    1823.9645    244.85885   -387.04046    509.26901    663.94064    171.61073            0   -556.48262    513815.66   -514991.04    1168.7425    28521.446    349.36333   0.68859382 
+     800    9.5536196    1382.5971    1737.4248     233.2413   -354.82766     513.0037    695.57852    172.42075            0   -552.28635    513804.68   -514988.22    1805.0199    28561.249    332.78401   0.66398258 
+     820     9.778646    1332.0198     1689.275    226.77742   -357.25518    509.51804    686.84757    172.57573            0   -548.44337    513812.21   -514989.96   -66.330382    28604.787    323.58493   0.59085762 
+     840    9.9888568    1285.6245    1683.5728    226.01192    -397.9483    507.59294    662.89974    169.37203            0   -553.69839    513804.35   -514988.47   -621.21477    28640.472    322.48931   0.59668678 
+     860     10.20852    1240.0357    1703.7808    228.72476   -463.74517    497.12172    658.78743    169.54895            0   -569.53018    513767.79   -514987.46    792.62408    28666.425    326.36236    0.5987066 
+     880     10.41846    1195.4711    1670.1197     224.2059   -474.64858    499.64663     651.5165    170.02534            0   -554.71869    513740.96   -514982.08     1233.144    28693.074    319.91853   0.57749627 
+     900    10.636871    1153.5523    1643.4571    220.62657   -489.90477    500.29822    640.14056    177.40242            0   -558.06881    513735.19   -514984.87   -525.65607    28722.392     314.8151    0.5591483 
+     920    10.892932     1114.609    1618.9439    217.33579   -504.33488    511.75888    633.60856     175.1138            0   -554.17472    513720.72   -514991.36   -1519.4599    28743.136    310.10438   0.58594249 
+     940    11.111583    1076.5388    1629.6394    218.77161   -553.10061    510.90787    619.76339     167.7895            0   -557.43647    513695.72   -514989.85    296.67789    28751.217    312.16803    0.5549268 
+     960    11.321271    1040.3467    1609.1144    216.01622   -568.76774    511.14781    602.93181    166.00661            0    -548.6701    513692.97   -514993.16    742.31157    28759.398    308.22272   0.57970476 
+     980    11.542122    1006.0767    1560.5644     209.4986   -554.48764    516.02585    629.21936    171.81429            0   -544.97384    513663.64   -514990.21   -1243.6779    28769.841    298.93237   0.54048524 
+    1000    11.766886    974.24702    1558.0041    209.15489   -583.75705    506.64122    601.93463    165.12035            0     -553.064    513688.11    -514992.5   -1282.0718    28770.754     298.4357   0.55413455 
+    1020    11.970261    943.47512    1567.4558    210.42375   -623.98071    507.76272    618.07613    152.14193            0   -569.64333    513661.22   -514993.54   -185.99703    28762.511    300.24196   0.56735077 
+    1040    12.182541    913.49183    1599.9518    214.78618   -686.45996     487.4406    574.26298    153.41685            0   -593.34617    513684.82   -514993.05     479.3652    28754.257    306.47736   0.55370848 
+    1060    12.385323     884.5384    1558.1791    209.17839   -673.64068    500.22922    593.70741    157.65505            0   -604.58403    513672.33   -514992.98   -2207.1147    28748.016    298.45318   0.59162923 
+    1080    12.597323    857.28841    1538.9194    206.59286   -681.63097    503.67593    574.77226    165.12151            0   -584.10752       513643   -514984.09   -1836.8716    28728.353     294.7583   0.59804385 
+    1100    12.806903     832.2002    1479.2217    198.57873   -647.02154    514.11416    608.92484    165.24735            0   -569.63674    513616.86   -514982.53   -27.131764     28698.73    283.30662   0.61552981 
+    1120    13.021407    809.16206    1516.8721    203.63312   -707.71008    513.30089    567.99641    169.86685            0   -560.80062    513584.24   -514982.32   -372.41029    28671.488    290.52701   0.60920306 
+    1140    13.226424    787.50897    1484.3443    199.26641   -696.83535    526.29673    582.76992    167.79235            0   -550.76364    513559.47   -514982.41   -1728.2731     28644.54    284.27985    0.6360204 
+    1160    13.439471    767.42267    1497.5383    201.03765   -730.11567    515.96405     580.5165    159.12444            0   -534.97892    513529.33   -514980.08   -1872.3497    28608.958    286.79856   0.66079274 
+    1180    13.643181    750.19166    1492.1028    200.30795    -741.9111    532.36765    570.69633    154.43336            0   -512.25199     513492.9   -514980.06    926.80786    28566.842    285.72289   0.73932156 
+    1200    13.878355    735.34196    1504.4584    201.96663   -769.11641    536.29872     594.4765      155.773            0   -514.98695    513442.46   -514983.13    34.590808    28534.508    288.09313   0.73549598 
+    1220    14.095265    720.75191    1495.8784    200.81481   -775.12649    558.18322    561.11868    159.16072            0   -503.00794     513434.4   -514984.98   -986.83251    28506.707    286.44694   0.73874965 
+    1240    14.302587    707.62702    1486.8261    199.59958   -779.19911    564.76327    574.98748    160.18253            0   -467.67421    513371.66   -514983.12    38.339148    28476.761    284.68236   0.80695809 
+    1260      14.5169    696.93229    1495.1997     200.7237   -798.26742    576.84276    565.66929    154.59183            0   -456.04034    513344.28   -514983.61    859.97875    28450.881    286.26551   0.85851389 
+    1280    14.723275    687.92791    1485.1331     199.3723   -797.20519    581.04737     593.2454    150.87332            0   -447.80111    513310.98   -514985.55    747.71864    28434.188    284.33268   0.86557314 
+    1300    14.940926    680.08292     1479.193    198.57487   -799.11011    585.53803    589.87487    148.01029            0   -422.72639    513283.11   -514982.92   -525.51472     28424.13    283.16208   0.93995449 
+    1320    15.146466    673.56377    1476.0598    198.15425     -802.496    572.76673    595.29767    147.53133            0   -424.76316    513287.72   -514981.04    109.20091    28412.937    282.56994   0.92008603 
+    1340    15.360807    668.74056    1484.8781    199.33807   -816.13759    582.36447    588.33732    153.88508            0   -434.18175    513270.79   -514977.34    733.42094    28403.872    284.22277    1.0080038 
+    1360    15.565801    665.56738    1519.4405    203.97791    -853.8731    575.96075     554.2097    159.14168            0    -458.4083    513293.33    -514978.1    423.26533    28400.693    290.82823    1.0551985 
+    1380    15.785992    663.88904    1467.7833    197.04317   -803.89424    578.34934    592.76078    156.17583            0   -458.96296    513308.25   -514980.47   -202.88792    28400.724    280.90163    1.1107077 
+    1400    16.000381    663.53838    1516.5314    203.58738   -852.99304    571.11885    580.68736    146.25518            0   -462.81788    513294.24   -514982.47   -449.44011    28399.391    290.22677    1.1573629 
+    1420    16.208723    664.23926    1499.3076    201.27517   -835.06836    566.43752    603.59629    148.52977            0   -471.69399    513300.52   -514982.46    261.17724    28395.582    286.90991    1.1923832 
+    1440    16.424351    665.87924     1504.925    202.02927   -839.04575    568.21243      588.179    157.65461            0   -462.88044    513294.99    -514985.2    684.75502     28394.09    287.99547    1.1721041 
+    1460    16.630685    668.71536    1501.3751    201.55271    -832.6597    581.26842    579.88403    157.98256            0    -456.9524    513291.74   -514986.58   -272.14551    28396.923    287.26686     1.284286 
+    1480    16.851607    672.94191    1510.1794    202.73465   -837.23749    577.53887    567.63332    162.86706            0   -467.21952     513308.9   -514986.95   -937.06962    28397.511    288.94723    1.3016431 
+    1500    17.060401    678.34496    1516.5383    203.58831   -838.19335     568.9071    592.24094    169.15958            0   -495.91214    513315.52   -514988.11    85.894805    28392.343    290.14127     1.359925 
+    1520    17.280722    684.91448     1526.955     204.9867   -842.04054    557.53201    581.42008    168.46993            0   -496.76555    513336.83   -514989.52     513.1704    28387.948    292.13159    1.3753055 
+    1540    17.489951     692.4859    1536.0578    206.20871    -843.5719    552.11665    584.87851    156.09211            0   -473.22273    513327.75   -514991.18   -267.31574    28386.929    293.85398    1.4281354 
+    1560    17.713041    700.59595     1541.593    206.95178   -840.99701    551.44763    612.32187    152.35924            0   -499.17884    513335.07   -514993.01   -882.17955    28383.721    294.92477    1.4055318 
+    1580    17.929113    708.77379    1550.3407    208.12612   -841.56691    556.60852    582.39053    162.12325            0   -515.10224    513365.77   -514993.35    322.32831    28375.626    296.59534    1.4204419 
+    1600    18.144745    717.39964    1559.9665    209.41835   -842.56689    549.07216    592.74611     171.9088            0   -494.99998    513331.85   -514993.14    267.08424    28369.799    298.42556    1.4556193 
+    1620    18.363554    726.25369      1544.67    207.36486   -818.41631    564.24547    620.11593    171.47239            0   -481.42668    513299.67    -514992.5    -929.2129    28365.483    295.50817    1.4206365 
+    1640    18.578192    735.20307     1599.669    214.74822   -864.46597    559.44554    584.31101    166.36248            0   -485.25281    513300.68   -514990.01   -400.32794    28355.927    306.03975    1.4483397 
+    1660    18.788682    744.13508    1567.4804    210.42705   -823.34534    567.22939    620.98009    160.76689            0   -485.86239    513302.82   -514989.28    275.23727    28344.229    299.86144     1.466234 
+    1680    19.002967    752.73626    1613.0757      216.548   -860.33939     567.6576    617.82475    157.94412            0   -474.89518    513259.71   -514988.58    145.60417    28335.257    308.62904    1.4035192 
+    1700    19.208987    760.45858    1575.0294    211.44047   -814.57086    588.97206    634.68664    166.27782            0   -441.79702    513226.22   -514988.93   -455.69419    28327.746    301.33081    1.4144311 
+    1720    19.424031    767.76378    1634.9553    219.48525   -867.19156    594.28118    613.97792    169.57851            0   -435.89528    513178.39   -514987.52     624.6147    28318.833    312.83371    1.3795127 
+    1740    19.630425     774.0707    1607.3304    215.77673   -833.25975    612.27366    635.89702    170.90768            0   -425.06946    513156.42   -514983.69    1245.2476    28314.962    307.54418    1.3649994 
+    1760     19.88556    778.94063    1606.5499    215.67195   -827.60929    602.10334    636.54708    169.93908            0   -409.46967    513160.13   -514986.86    900.23197    28320.117    307.40099    1.3499664 
+    1780    20.156405    783.13015    1582.8925    212.49605   -799.76233     635.8022    637.81662    173.60641            0   -395.27083     513136.4   -514988.12    303.67422    28331.437    302.86049    1.3623691 
+    1800    20.394003     786.8472    1629.8795    218.80383   -843.03226    626.87797    613.50519    171.66383            0   -388.22631     513124.5   -514991.35    452.45767    28344.488    311.88054    1.3331104 
+    1820    20.604631    789.49317    1623.8201    217.99039   -834.32693     632.3375    629.50791    165.54164            0   -402.81199    513130.95   -514989.85    1435.9558    28360.845    310.74273    1.2776203 
+    1840    20.882926    790.84026    1595.8459    214.23498    -805.0056    593.44998    654.04584    168.32988            0   -408.05005     513177.2   -514989.98    869.17595    28385.701    305.40649    1.2158021 
+    1860    21.104003    791.82787    1587.2175    213.07667   -795.38968    618.69585    660.77302    168.60246            0   -408.77525    513157.18   -514991.87     14.63364    28414.975    303.75155     1.217843 
+    1880    21.318712    792.39264    1628.8097    218.66022   -836.41704    590.23683    653.83304    177.71688            0   -432.28625    513162.12   -514988.04   -17.001449    28442.457    311.75357    1.1508692 
+    1900     21.52406    792.00166    1611.7686    216.37254   -819.76695    604.55866    613.59005    183.84763            0   -425.02508    513192.41   -514989.15    1501.7473     28469.05    308.49923    1.1217532 
+    1920    21.740008    789.87504    1640.0559    220.16997   -850.18086    603.67271    634.84308    183.31253            0   -426.75252    513142.08   -514987.34    889.51113    28503.487    313.92438    1.1161317 
+    1940    21.949681    787.46267    1570.9429    210.89187   -783.48022    605.27114    651.32573    181.65051            0   -435.56723     513206.5   -514992.66   -1213.4071    28540.767    300.71188    1.0306517 
+    1960     22.16336    784.79852    1591.8755    213.70197   -807.07695    594.43439    669.69922    174.81078            0   -440.94269    513185.58   -514990.66   -9.1610879    28568.421    304.73308    1.0111234 
+    1980    22.368034    780.57674    1632.8138    219.19775   -852.23704    605.41038    630.06225    169.19473            0   -441.49651    513181.33   -514996.74    1265.2908    28593.818    312.59942   0.96826781 
+    2000    22.581326    775.20404    1636.2577    219.66008   -861.05366     609.0993    612.37884    163.97498            0   -448.27188    513197.01   -514995.24   -167.85231    28624.885    313.26825   0.94815628 
+Loop time of 22.5814 on 4 procs for 2000 steps with 3000 atoms
+
+Performance: 3.826 ns/day, 6.273 hours/ns, 88.568 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 10.479     | 10.867     | 11.348     |   9.5 | 48.12
+Bond    | 0.47013    | 0.48392    | 0.50035    |   1.7 |  2.14
+Kspace  | 4.4559     | 4.9538     | 5.3493     |  14.5 | 21.94
+Neigh   | 0.65502    | 0.65523    | 0.65539    |   0.0 |  2.90
+Comm    | 0.47358    | 0.47448    | 0.47606    |   0.1 |  2.10
+Output  | 0.0062618  | 0.0089129  | 0.014062   |   3.2 |  0.04
+Modify  | 5.0877     | 5.0948     | 5.1016     |   0.3 | 22.56
+Other   |            | 0.04382    |            |       |  0.19
+
+Nlocal:    750 ave 769 max 722 min
+Histogram: 1 0 0 0 0 1 0 0 1 1
+Nghost:    5829.25 ave 5873 max 5791 min
+Histogram: 1 0 1 0 0 0 1 0 0 1
+Neighs:    164687 ave 168810 max 157995 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+
+Total # of neighbors = 658749
+Ave neighs/atom = 219.583
+Ave special neighs/atom = 10.5
+Neighbor list builds = 65
+Dangerous builds = 0
+Total wall time: 0:00:22
diff --git a/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.1 b/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.1
deleted file mode 100644
index 5509458f14..0000000000
--- a/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.1
+++ /dev/null
@@ -1,254 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
-kspace_style pppm 1.0e-4
-
-comm_modify vel yes
-read_data data.ethanol
-  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  3000 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  2750 bonds
-  reading angles ...
-  3250 angles
-  reading dihedrals ...
-  3000 dihedrals
-  5 = max # of 1-2 neighbors
-  6 = max # of 1-3 neighbors
-  10 = max # of 1-4 neighbors
-  11 = max # of special neighbors
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
-pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
-pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
-pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
-pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
-pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
-pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
-pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
-pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    1 thole 2.051000
-pair_coeff    1    2 thole 1.580265
-pair_coeff    1    4 thole 1.416087
-pair_coeff    1    6 thole 2.051000
-pair_coeff    1    7 thole 1.580265
-pair_coeff    1    8 thole 1.416087
-pair_coeff    2    2 thole 1.217570
-pair_coeff    2    4 thole 1.091074
-pair_coeff    2    6 thole 1.580265
-pair_coeff    2    7 thole 1.217570
-pair_coeff    2    8 thole 1.091074
-pair_coeff    4    4 thole 0.977720
-pair_coeff    4    6 thole 1.416087
-pair_coeff    4    7 thole 1.091074
-pair_coeff    4    8 thole 0.977720
-pair_coeff    6    6 thole 2.051000
-pair_coeff    6    7 thole 1.580265
-pair_coeff    6    8 thole 1.416087
-pair_coeff    7    7 thole 1.217570
-pair_coeff    7    8 thole 1.091074
-pair_coeff    8    8 thole 0.977720
-
-group gETHANOL molecule 1:250
-3000 atoms in group gETHANOL
-group gATOMS type 1 2 3 4 5
-2250 atoms in group gATOMS
-group gDRUDES type 6 7 8
-750 atoms in group gDRUDES
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 300.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gATOMS  create ${vTEMP} 12345
-velocity gATOMS  create 300 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N C N D D D
-
-fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
-  250 = # of size 2 clusters
-  250 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 300 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 300 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nph iso ${vPRESS} ${vPRESS} 500.0
-fix fNPH all nph iso 1 ${vPRESS} 500.0
-fix fNPH all nph iso 1 1 500.0
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 20
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.379738
-  grid = 30 30 30
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0289979
-  estimated relative force accuracy = 8.73262e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 50653 27000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 11
-New max number of 1-2 to 1-4 neighbors: 11 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-Memory usage per processor = 17.0416 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170217.61    22094.109    381.62759    10.134301 
-      20     1.385576    10970.012    5646.6301    758.03417    5323.3819    2059.5936    2216.9884    125.92554            0    1728.6053    514096.92   -514904.65    75436.064     22442.45    899.51659    426.89782 
-      40    2.8551838    8946.3004    5328.0205    715.26229    3618.2799    1462.1369    1696.2859    256.70292            0    1227.1291    513938.28   -514962.25    46638.926    23048.183    913.15135    252.56746 
-      60     4.256644    7510.9138    4723.1153    634.05655    2787.7985    1200.8153    1745.4103    301.30777            0    557.91727    513950.17   -514967.82    37797.472    23517.111    840.69781    151.04819 
-      80    5.6700039    6349.0396    4602.1226    617.81383     1746.917    881.77472    1380.8268    300.54011            0    204.13917    513929.54    -514949.9    33853.354    23924.249    841.20585    95.742025 
-     100    7.1165569    5485.3222    4144.7402    556.41234     1340.582    784.84009    1301.8671    289.61557            0   -77.062714    514016.28   -514974.95    23857.465    24318.637    768.91722    59.825738 
-     120     8.510273    4862.0053    3777.3363    507.09006     1084.669    621.87069    1297.2363    283.15963            0   -165.00092    514030.24   -514982.84    17467.301      24661.1    708.90876    35.503627 
-     140      9.89271    4340.9652    3447.5936    462.82361     893.3716     643.1449    1248.6314    275.36087            0   -264.51028    513962.87   -514972.13    14982.178     24941.74    650.92753    23.297372 
-     160    11.266981    3926.9368    3280.8104    440.43373    646.12637    590.77624    1125.7232     275.3221            0   -402.26335    514039.99   -514983.43    17555.529    25182.215    623.03896    13.767615 
-     180    12.636709    3510.3411    3034.5182    407.37013    475.82289    580.88726    1065.7063    271.62555            0   -478.17514    514008.07   -514972.29    9901.7384    25408.806    577.95511    8.7953435 
-     200    13.951961    3233.2057    2804.8754    376.54165    428.33026    560.57334    1096.7788    268.56938            0   -524.79217    514009.74   -514982.54    8543.4492     25602.16    535.31334    5.5723047 
-     220       15.315    3020.0557    2679.3857    359.69523    340.66996    534.37676    1086.1078    252.72365            0   -554.44877    514000.87   -514978.96    7630.6161    25763.835     511.8744    4.1309201 
-     240     16.66608    2817.6362    2557.8968     343.3859    259.73947    533.53125    1096.7513    235.23483            0   -594.78212    513968.14   -514979.14    6067.9397    25911.192    489.07601    2.9844639 
-     260    18.020921    2631.1316    2460.4934    330.30994    170.63824    520.23801     1043.849    228.55335            0   -637.15729    514004.04   -514988.88    5635.1903    26047.493    470.67196     2.358136 
-     280    19.327414    2462.7215     2379.403    319.42393    83.318543    525.36331    972.01762    226.26993            0   -624.36335    513966.76   -514982.73    4763.2439    26167.845    455.32938    1.8853017 
-     300    20.664073     2314.007    2233.3945    299.82295    80.612529    521.07514    985.58156     216.6623            0   -622.92535    513969.51   -514989.29    3501.9257    26271.903    427.41388    1.7110326 
-     320    21.998284    2171.6005    2216.0458    297.49398   -44.445373     513.1225    926.87268    206.39293            0   -647.39127    513946.45   -514989.89    3556.0249    26368.557    424.16134    1.5401544 
-     340    23.295565    2048.7645    2103.0412    282.32362   -54.276671    517.24017    972.17593    198.86832            0   -648.49462    513890.61   -514984.68    3723.4258    26461.822    402.56097    1.3933654 
-     360    24.639426     1940.255    2045.2119     274.5603   -104.95688     499.1817    932.32957     187.5616            0   -652.16846    513915.39   -514987.25     2301.433    26551.361    391.50737    1.3177372 
-     380    25.919177    1826.4337    1933.9251    259.62057   -107.49138     518.5733    919.38362    182.08763            0   -651.72644    513909.35   -514985.16    2618.7931    26632.025    370.16974    1.3263382 
-     400     27.23436    1760.0079    1974.3468    265.04699   -214.33884    494.88766    905.27809    184.94874            0   -673.15814     513861.2    -514987.5     2096.731    26707.742    377.93896    1.2790015 
-     420     28.50932    1674.2459    1875.0429     251.7159   -200.79701    494.32791     919.1307    191.42967            0   -660.09631    513843.82   -514989.41    358.06627    26778.924     358.8831    1.3234648 
-     440    29.823068    1636.3668    1886.8736    253.30412   -250.50682    501.37304    885.96911    179.94725            0   -646.55634    513813.44   -514984.68    465.97294    26842.197     361.1633    1.2949713 
-     460    31.092765    1593.0934    1860.7484    249.79693   -267.65503    491.39115     906.9344    174.33035            0   -666.38274    513814.92   -514988.85    126.16052    26894.743     356.1632    1.2759204 
-     480    32.406062    1505.0407    1837.1657    246.63106   -332.12503    509.85902    860.16645    173.43061            0    -651.2259    513765.85    -514990.2    1646.3283    26939.521     351.6473    1.2643358 
-     500    33.677199    1442.2558     1798.394    241.42613   -356.13819    522.53768    861.77071    168.42903            0   -655.02572    513738.55    -514992.4    1526.9168     26984.71    344.22043    1.2508825 
-     520     34.98888    1429.2148    1796.9298    241.22958   -367.71495    524.55666    871.69773    162.68814            0   -664.81406    513731.94   -514993.79   -680.86121    27027.519     343.9346    1.2628675 
-     540    36.290854    1386.5466    1788.8853    240.14964   -402.33868    549.35219    874.93475    154.34652            0   -656.82759    513667.79   -514991.93   -112.10182    27063.585    342.37563    1.3021222 
-     560     37.52542    1344.4167    1829.4102    245.58992   -484.99349    543.86102    827.43025    144.96524            0   -643.51447    513638.79   -514996.53    701.10406    27094.487    350.14354    1.3040182 
-     580    38.796225    1286.7629     1718.567    230.70973   -431.80414    561.04865    874.04358    152.41827            0   -615.40981    513590.72   -514994.62    826.08615    27125.818    328.91939    1.2462575 
-     600    40.032106    1275.3861    1701.9169    228.47454   -426.53082    558.07219    895.26591    163.23964            0   -608.79386    513561.43   -514995.74    284.53547    27152.441    325.68878    1.3366627 
-     620    41.297358    1273.8918    1712.1906    229.85372   -438.29876    558.54787    859.08268    175.40704            0   -603.76978    513568.36   -514995.92   -799.98388     27171.09    327.70761    1.2215062 
-     640    42.526453    1217.1518    1736.1072    233.06442   -518.95534    572.52862    823.16123     163.5653            0   -606.82177    513521.07   -514992.46   -528.59646    27187.499    332.28172    1.2466277 
-     660    43.751388    1139.8934    1675.8281    224.97222   -535.93471     572.5104    829.99341    152.69698            0   -620.77477     513527.1   -514997.46    127.63393    27203.689    320.71564     1.270961 
-     680    44.951294    1132.7801    1684.9691    226.19937   -552.18903    579.17897     824.9868    153.95243            0   -613.89121    513497.59      -514994   -375.69988    27217.538    322.46995     1.266406 
-     700    46.114508    1123.7259    1689.7673     226.8435   -566.04141    579.34852    817.35591    160.76324            0   -604.95952    513473.67   -514992.22     539.9968    27228.562    323.38291    1.2824201 
-     720    47.311101    1109.2452    1679.3944    225.45099   -570.14919    580.49864    815.37954    166.39557            0   -599.53737     513460.9   -514993.78     1379.628     27240.51    321.38269    1.3097525 
-     740    48.482072    1103.9038    1664.1003    223.39782   -560.19651    598.28549    826.45607    162.40108            0   -577.67737    513419.55   -514989.21   -688.06905    27252.803    318.47888    1.2441535 
-     760     49.66032    1069.6322    1656.8299    222.42181   -587.19776    602.32252    832.89566    153.82032            0   -575.90234    513395.07   -514995.41    40.843646    27264.248    317.07409    1.2699292 
-     780    50.861186    1034.9853    1655.3151    222.21845    -620.3298    585.98097    809.14501    152.10567            0   -574.09092    513399.41   -514992.88   -542.13898    27275.872    316.80217    1.2268067 
-     800    52.028532    1040.3169    1665.5678    223.59483   -625.25085    605.03042    803.57295    148.68705            0   -581.69335    513396.32   -514997.16     535.8591    27285.478    318.74392    1.2821524 
-     820    53.219595    1058.9481    1736.3976     233.1034    -677.4495    598.69968    784.98413    145.24433            0   -598.32684    513390.35    -514998.4    661.30446    27295.669    332.34879    1.2200226 
-     840     54.41621    1045.3784    1676.8277    225.10642    -631.4493    612.87881    813.63091    148.70121            0   -579.94856    513372.94   -514999.65   -709.36037     27305.36    320.91078    1.2627849 
-     860    55.601647    1020.7309     1672.697    224.55189   -651.96607    601.90752    814.84165    150.80576            0   -580.50172    513365.58    -515004.6   -495.61008      27311.4    320.12878     1.239739 
-     880    56.769503    989.87899    1623.5853    217.95888   -633.70636     614.6379    850.57766      146.023            0   -574.97001    513330.69   -515000.67    642.87966    27315.764    310.68993    1.2958041 
-     900    57.983504    951.29928    1656.7713    222.41394   -705.47199    612.66694    803.70933    146.11306            0   -578.97014    513313.84   -515002.83    -24.66438    27323.702    317.06441    1.2662666 
-     920    59.146542    990.23712    1682.9256    225.92504   -692.68849    625.49291    805.11902    145.39781            0   -566.50947     513298.1   -515000.28    -197.4677    27331.656    322.09842    1.2192545 
-     940    60.311439    975.32007    1655.1496    222.19623   -679.82952    644.56888    830.44185    142.39994            0   -571.05582    513274.28   -515000.46    -57.36251    27336.591    316.75027    1.2738836 
-     960    61.537265    970.70957    1646.9748     221.0988   -676.26523    621.55653    860.81553    137.50196            0   -570.35847    513277.66   -515003.44    356.66027    27339.657    315.18748    1.2637636 
-     980    62.841358    922.60821    1622.7907     217.8522   -700.18247    618.71597    851.23286    133.07652            0   -567.79027    513264.96   -515000.37    5.1281321    27344.467    310.55109    1.2643077 
-    1000    64.061049    903.52078     1692.943    227.26982    -789.4222    615.63909    786.17473     136.0751            0   -548.92889    513225.82   -515004.21   -1215.8274     27349.08    323.99743    1.2690479 
-    1020    65.198298    880.82937    1611.9406    216.39562   -731.11119    641.95133    825.78985    138.47494            0   -548.19881    513212.76   -515001.89   -120.47994    27348.478    308.46852    1.2703282 
-    1040    66.338573    859.35882    1637.2347    219.79124   -777.87584    642.91383    781.96671    129.07882            0   -535.68978    513205.22   -515001.36   -128.41699     27349.25     313.3121    1.2828435 
-    1060    67.506762     843.6634    1588.9732    213.31236   -745.30982    645.93104    848.24527    128.71177            0   -531.00457    513167.02   -515004.21     111.3449    27352.063    304.04699    1.3138151 
-    1080    68.625545    819.34273    1604.5527    215.40383   -785.20997    653.64454    797.74835    132.82208            0   -520.03981    513152.36   -515001.74   -705.09278    27353.042    307.03668     1.306641 
-    1100    69.741567    799.10089    1574.7957    211.40909   -775.69478    654.13763    825.37479    142.68152            0   -514.52184     513120.3   -515003.67     1350.915    27353.287     301.3473    1.2713755 
-    1120    70.887971    807.77511    1606.5291    215.66916   -798.75403       677.02    802.76738    138.71115            0   -519.19695    513103.61   -515001.67    551.01047    27358.309     307.4238    1.2874498 
-    1140    72.009922    822.40019     1605.593    215.54349   -783.19283    664.08656    825.14971     139.5036            0    -525.0726     513119.2   -515006.06   -1500.6927    27365.732    307.25006    1.2741015 
-    1160     73.11993    799.60355    1627.1824    218.44176   -827.57881    660.53797    810.61642    135.99659            0   -549.15929    513120.99   -515006.56   -463.83247     27365.87    311.39885    1.2506312 
-    1180    74.237157    808.71869    1627.4862    218.48255   -818.76747    671.07453    814.08104    132.68184            0    -536.0374    513101.27   -515001.83   -1497.9686    27360.344    311.48219    1.1920705 
-    1200    75.389495    800.76402    1602.0973     215.0742   -801.33325    661.27319    818.56681    137.56688            0   -528.29009    513116.11   -515006.56    727.09082    27352.249    306.62538    1.1680129 
-    1220    76.512266    786.90424    1625.6159    218.23148    -838.7117    654.42667    808.06282    144.23638            0   -544.37793    513103.11   -515004.17    -1016.333    27347.251    311.10383    1.2383451 
-    1240    77.618425    784.43915    1618.0202    217.21178   -833.58101    652.75565    810.84854    144.21786            0   -538.55907    513104.01   -515006.86   -1688.0609    27338.945    309.66351    1.2014646 
-    1260    78.767789    792.64493    1616.6996    217.03449   -824.05464    659.33158    832.96211    136.95679            0   -535.25333     513087.8   -515005.85   -240.86746    27324.585    309.38787    1.2538953 
-    1280    79.890153    772.02964    1579.0067     211.9744   -806.97707    680.62465    825.10068    128.65485            0   -522.39638     513085.1   -515004.06    1026.3484    27308.077    302.15133    1.2789362 
-    1300    81.045542    794.71268    1640.9493    220.28991   -846.23661    653.48559     809.8286    126.57126            0   -529.35975       513101   -515007.77   -222.24259    27295.577    314.02093    1.2904787 
-    1320    82.165808    784.00371    1619.7825    217.44836   -835.77876    666.10367     843.1839    129.04786            0   -537.48412    513064.75   -515001.38   -904.29245    27284.448    309.98624    1.2367093 
-    1340    83.287128    768.52183    1621.7783    217.71629   -853.25649    658.65554    797.98287    135.92558            0   -517.31157    513072.35   -515000.86    556.43774    27269.699     310.3284    1.3310985 
-    1360    84.450531    750.55548    1561.8653    209.67325   -811.30983    659.33682    849.22159    146.12076            0   -514.99584    513050.84   -515001.83    156.64838    27254.169    298.83628    1.3466087 
-    1380    85.572197    744.55824    1600.9118    214.91506   -856.35357    669.28688    822.92318    135.57716            0   -509.75984    513027.33   -515001.71    395.88113    27246.862    306.32946    1.3282506 
-    1400    86.727889    740.37698    1618.0191    217.21163    -877.6421    680.34192    804.16104    122.37614            0   -510.05578     513028.7   -515003.17   -1778.0909    27242.463    309.60983    1.3262175 
-    1420    87.853329    707.95242    1606.2301    215.62901   -898.27766    681.75825    834.81666    117.56052            0   -511.14444    512980.84   -515002.11    132.87977     27231.78    307.36642    1.2875563 
-    1440    88.999557     701.0459    1631.5857    219.03289   -930.53982    689.29026    778.55166    121.13791            0   -503.03703    512986.74   -515003.22    502.08629    27220.348    312.26072    1.2092436 
-    1460    90.173845     691.9965    1611.7145    216.36527   -919.71797    691.89285    800.91685    123.97376            0   -504.76462    512970.72   -515002.46    530.64797     27214.26    308.41315    1.2983911 
-    1480    91.318457     691.7249    1594.0369    213.99213   -902.31197    688.47809    838.61898    125.21502            0   -504.16566    512953.09   -515003.55   -1094.2326    27210.327    305.01536    1.3192889 
-    1500    92.483926    665.64633    1571.5229    210.96973   -905.87653    681.91529    823.02708    127.30163            0   -506.25486    512973.62   -515005.48   -1022.5661    27200.233    300.72872    1.2507982 
-    1520    93.612424    675.29951    1631.0635    218.96279   -955.76401    670.77264    825.29942    133.56984            0   -531.08736    512951.49   -515005.81   -389.61365    27187.165    312.13799    1.2620465 
-    1540    94.741199    653.89323    1632.9694    219.21864   -979.07615    678.96106    792.69599    132.07987            0   -515.25022    512939.14    -515006.7   -1030.2457    27174.091    312.51532     1.234099 
-    1560      95.9062    636.91726    1590.0999    213.46361   -953.18262    687.04134    809.44011    127.54619            0   -523.45302    512956.52   -515010.28   -951.93121    27155.942    304.27362     1.288966 
-    1580    97.028125    627.56968    1601.8646    215.04297   -974.29496    686.96797    803.53231    128.08068            0   -517.28126    512935.11   -515010.71   -1043.2395    27131.362    306.54052    1.2619672 
-    1600    98.159189    639.59673    1591.5973    213.66464   -952.00062    695.73225    820.03411    126.92265            0   -523.57295    512936.97   -515008.08   -516.36154    27101.901    304.53745    1.3431812 
-    1620    99.322595    631.83759    1582.6681    212.46592   -950.83047    708.36138    817.50888    123.99588            0   -518.92537    512930.72   -515012.49   -2198.9765    27071.135    302.85679    1.2706043 
-    1640    100.45901    621.88183    1569.4451     210.6908   -947.56326    703.57599    823.87187    132.80048            0   -497.70649    512900.32   -515010.43     -1335.78    27038.969    300.32548    1.2622751 
-    1660    101.60839    642.07332    1595.5476    214.19493   -953.47423    705.46998    794.82235    141.09052            0   -484.29874    512898.11   -515008.66   -403.23344     27004.83    305.30235    1.3253687 
-    1680    102.77636    620.05889     1604.721    215.42642   -984.66208    704.63874     808.2235    139.26176            0     -475.937    512849.25    -515010.1    -336.0674    26974.635    307.06907    1.3063348 
-    1700     103.9216    625.14905     1627.936    218.54293   -1002.7869    700.41444    790.63143    141.47429            0   -472.95296    512847.83   -515010.18    432.43074    26948.842     311.5388    1.2611748 
-    1720    105.07527    635.67026    1585.5068    212.84701   -949.83654    711.22133    826.38676    138.90157            0   -470.74615    512857.96   -515013.56   -927.08791    26927.403    303.39054    1.2949652 
-    1740    106.19526    622.55036    1629.9419    218.81221   -1007.3915    701.72972    807.03841    133.88234            0   -462.62233    512821.73   -515009.15    60.724835    26906.734    311.91698    1.2759906 
-    1760     107.3157    601.07861     1563.031    209.82973   -961.95237    721.05163    813.03641    135.83107            0    -472.1521    512852.13   -515011.85    1071.0762     26889.11    299.11764     1.211508 
-    1780    108.47195    615.76689    1612.7311    216.50175   -996.96425    712.00335     812.2101    135.93651            0   -469.54632    512821.55   -515009.11   -1171.9908    26876.291    308.62781    1.2522701 
-    1800    109.60652    590.39061    1576.6095    211.65259   -986.21891     706.7567    822.39219    137.15671            0   -470.15251    512825.84   -515008.21   -1051.5297      26860.1     301.6752    1.3176335 
-    1820    110.78553    603.65994      1596.51    214.32414   -992.85007    711.49043    808.94991    132.38543            0   -461.89866    512827.37   -515011.15    180.50052     26844.34    305.50815    1.2756752 
-    1840    111.93685    591.93917    1596.2013     214.2827   -1004.2621    720.41618    814.51338    137.96161            0    -460.4745    512793.12    -515009.8    605.10058     26833.73    305.47844    1.2069138 
-    1860    113.12134     609.8248    1577.7772    211.80934   -967.95236    716.21723    808.30329    144.61624            0   -461.04538    512833.46   -515009.51   -1143.3982    26826.019    301.93343    1.2373879 
-    1880     114.2602    614.25513     1599.756     214.7599   -985.50088    748.39555    792.89735    140.36606            0   -460.16996    512800.85   -515007.84   -261.10141    26816.306    306.15319    1.2225442 
-    1900    115.40316    615.77501    1599.1853    214.68329   -983.41029    729.35936    798.81735    146.34452            0   -492.16069    512844.21   -515009.98    493.95161    26806.893    306.01603    1.2873103 
-    1920    116.55442    628.99417    1652.3184    221.81616   -1023.3242    715.08536     813.8821    147.49091            0    -508.7856    512818.33   -515009.33   -2250.9701    26803.895    316.19125    1.3118467 
-    1940    117.73809    613.28705     1595.717    214.21768   -982.42996    719.54904    821.80704     150.0739            0   -493.66309    512828.25   -515008.45   -2187.7221    26796.819    305.33907    1.3154875 
-    1960    118.91834    594.22322    1584.9306    212.76966    -990.7074    717.75467    820.27772    151.35897            0   -491.90915    512819.49   -515007.68   -736.31063    26780.283    303.29276    1.2654066 
-    1980    120.06148     614.4096    1572.4353    211.09222   -958.02568    732.31342    826.01815    154.79578            0   -487.35165    512824.93   -515008.73    39.731855    26764.092    300.89417    1.2728833 
-    2000    121.20194    604.51985    1580.7247    212.20504   -976.20489    716.50209    820.59198    155.66948            0   -482.48478    512823.08   -515009.56   -465.82593    26752.509    302.47674    1.2881296 
-Loop time of 121.202 on 1 procs for 2000 steps with 3000 atoms
-
-Pair  time (%) = 58.9106 (48.6053)
-Bond  time (%) = 7.9266 (6.53999)
-Kspce time (%) = 14.2366 (11.7462)
-Neigh time (%) = 1.79608 (1.48189)
-Comm  time (%) = 0.562635 (0.464213)
-Outpt time (%) = 0.0137095 (0.0113113)
-Other time (%) = 37.7558 (31.1511)
-
-Nlocal:    3000 ave 3000 max 3000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    10007 ave 10007 max 10007 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    720894 ave 720894 max 720894 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 720894
-Ave neighs/atom = 240.298
-Ave special neighs/atom = 10.5
-Neighbor list builds = 49
-Dangerous builds = 0
diff --git a/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.4 b/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.4
deleted file mode 100644
index 245a37c6d0..0000000000
--- a/examples/USER/drude/ethanol/log.ethanol.lang.8Jul15.linux.4
+++ /dev/null
@@ -1,254 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
-kspace_style pppm 1.0e-4
-
-comm_modify vel yes
-read_data data.ethanol
-  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  3000 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  2750 bonds
-  reading angles ...
-  3250 angles
-  reading dihedrals ...
-  3000 dihedrals
-  5 = max # of 1-2 neighbors
-  6 = max # of 1-3 neighbors
-  10 = max # of 1-4 neighbors
-  11 = max # of special neighbors
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
-pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
-pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
-pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
-pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
-pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
-pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
-pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
-pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    1 thole 2.051000
-pair_coeff    1    2 thole 1.580265
-pair_coeff    1    4 thole 1.416087
-pair_coeff    1    6 thole 2.051000
-pair_coeff    1    7 thole 1.580265
-pair_coeff    1    8 thole 1.416087
-pair_coeff    2    2 thole 1.217570
-pair_coeff    2    4 thole 1.091074
-pair_coeff    2    6 thole 1.580265
-pair_coeff    2    7 thole 1.217570
-pair_coeff    2    8 thole 1.091074
-pair_coeff    4    4 thole 0.977720
-pair_coeff    4    6 thole 1.416087
-pair_coeff    4    7 thole 1.091074
-pair_coeff    4    8 thole 0.977720
-pair_coeff    6    6 thole 2.051000
-pair_coeff    6    7 thole 1.580265
-pair_coeff    6    8 thole 1.416087
-pair_coeff    7    7 thole 1.217570
-pair_coeff    7    8 thole 1.091074
-pair_coeff    8    8 thole 0.977720
-
-group gETHANOL molecule 1:250
-3000 atoms in group gETHANOL
-group gATOMS type 1 2 3 4 5
-2250 atoms in group gATOMS
-group gDRUDES type 6 7 8
-750 atoms in group gDRUDES
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 300.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gATOMS  create ${vTEMP} 12345
-velocity gATOMS  create 300 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N C N D D D
-
-fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
-  250 = # of size 2 clusters
-  250 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 300 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 300 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nph iso ${vPRESS} ${vPRESS} 500.0
-fix fNPH all nph iso 1 ${vPRESS} 500.0
-fix fNPH all nph iso 1 1 500.0
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 20
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.379738
-  grid = 30 30 30
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0289979
-  estimated relative force accuracy = 8.73262e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 17908 7200
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 11
-New max number of 1-2 to 1-4 neighbors: 11 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-Memory usage per processor = 13.7041 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170217.61    22094.109    381.62759    10.134301 
-      20   0.44569397    10977.424    5649.3945    758.40528    5328.0296    2062.3394    2228.2308    127.20754            0    1716.2152    514097.63   -514903.59    75539.256    22441.778    900.65907    425.71739 
-      40   0.90527296    8971.2482    5307.0059    712.44118    3664.2423    1468.3059    1727.5451    263.87315            0    1220.4282    513944.02   -514959.93    46706.836    23047.009    909.55477    251.59684 
-      60     1.361037    7598.4556     4774.303    640.92826    2824.1526    1194.6529    1771.6791    314.85714            0    553.82536    513952.92   -514963.78    37332.483    23513.741    850.78562    150.29304 
-      80    1.7987111    6500.1249    4632.1069    621.83909    1868.0179    914.33309     1444.251     317.2453            0    213.21366    513930.08   -514951.11    33258.709    23919.334    847.28599    94.967207 
-     100     2.243571    5591.6251    4319.2496    579.83942    1272.3755    772.49711    1235.8559    306.35507            0   -56.084846    513990.28   -514976.52    21846.137     24315.14    802.34652    59.892261 
-     120     2.672169     4952.948    3881.7989    521.11369    1071.1491    630.90018    1260.1994    299.84546            0   -147.02839    514014.84    -514987.6    17197.209    24657.008    728.80233    35.812029 
-     140    3.0969729    4374.1711    3440.8515    461.91852    933.31957    670.31509    1238.1527    300.45294            0   -260.41129    513963.49   -514978.68    17258.201    24938.237    649.62114    23.329848 
-     160     3.522228     3923.495    3251.4038    436.48603     672.0912    632.18705    1144.4394    307.33026            0   -436.52375    514013.97   -514989.32    17850.515    25184.125    617.40474    13.751472 
-     180     3.939676     3558.426    3060.6065    410.87237    497.81946    621.75343    1085.8467    297.16091            0   -495.18434    513968.41   -514980.17    9891.4148    25413.786    582.97006    8.7537197 
-     200    4.3550711    3228.7597    2864.5929    384.55845    364.16674    591.37767    1077.5669    257.51603            0   -521.62174    513950.21   -514990.89    5932.7994    25603.593    546.64932    5.8336845 
-     220     4.781127    2922.9928    2668.3732    358.21686    254.61956    552.45115    1045.2477    238.95571            0    -548.2597     513955.3   -514989.07    7141.8585    25759.687    509.85961    3.9098706 
-     240     5.195529    2721.2831    2574.4897    345.61343    146.79339    548.06208    1035.0795    226.53387            0   -609.08183    513928.26   -514982.06    6976.8028    25904.957    492.22535    3.0535597 
-     260    5.5978601    2525.9513    2461.0955    330.39077    64.855761    536.85769    1022.3488    211.33422            0   -633.79065    513919.59   -514991.49    4541.0707    26037.832    470.78293    2.3688827 
-     280    6.0106721    2338.1989    2324.5678    312.06255     13.63115    519.14801    970.18634    197.76634            0   -621.14257    513937.12   -514989.44    2916.5572    26148.311     444.7787     1.975451 
-     300    6.4294651    2194.9975    2189.2141    293.89194    5.7833943    530.82824    982.37216    190.98549            0   -652.12498     513946.6   -514992.88    4231.0047    26242.419    418.97109    1.6488796 
-     320     6.825505    2045.5803    2132.2428    286.24381    -86.66256    531.61575    935.95137    188.46723            0   -683.29899    513935.09   -514994.49    1717.7425    26334.126    408.09021     1.554221 
-     340      7.23614    1929.4862    2083.5954    279.71312   -154.10925    509.11673    906.18183    186.63991            0   -668.08147    513908.15   -514996.11    2743.5013    26418.758     398.8054    1.4581893 
-     360    7.6401701    1853.7734    1992.7639     267.5194   -138.99054    525.44894    891.90785     178.2228            0    -654.5178    513920.68   -515000.73    3824.9512    26497.054     381.4442    1.3381947 
-     380     8.035013    1760.9758    1947.1807    261.40007   -186.20493    517.02356    919.61194    172.55666            0   -676.58938    513879.08   -514997.89    2968.2379    26574.581    372.73009    1.2814975 
-     400     8.439594    1687.9145     1906.019     255.8743   -218.10451      535.676    922.06535    176.24936            0   -683.92633    513833.49   -515001.66    1305.3348    26642.871    364.83666    1.2876267 
-     420     8.849108    1605.8081    1889.1783    253.61351   -283.37015    517.23187    857.77943    180.22369            0   -663.03698    513825.85   -515001.41    2618.2332    26704.387    361.60626    1.2936035 
-     440    9.2419581    1518.1322    1794.7348    240.93491   -276.60265    531.28729    893.06522    188.20612            0   -667.29018    513778.24   -515000.11    1458.8151    26764.917    343.52984    1.2323667 
-     460    9.6461852     1455.546       1796.4    241.15845   -340.85398    527.34366    846.65226    188.77031            0   -650.31889    513748.59   -515001.89    169.77154    26818.027     343.8413    1.2433195 
-     480    10.037471    1423.2564    1780.6643    239.04601   -357.40797    555.56132    861.65053    179.25353            0   -642.23744    513684.59   -514996.23    1737.2169    26861.945    340.81112    1.2754844 
-     500    10.442603    1414.4159    1792.7736    240.67163   -378.35771    562.25347    865.25285    172.51254            0   -638.36916    513656.76   -514996.77    2862.5086     26905.68    343.13664     1.264128 
-     520    10.840656    1359.8057    1801.5592    241.85105   -441.75349    573.49082    804.76936    169.51784            0   -635.89324    513643.32   -514996.96    927.77773    26956.407    344.82065    1.2649106 
-     540     11.24422     1319.969    1763.9685    236.80467    -443.9995    564.76203    851.23442    169.85422            0   -632.66442    513600.38   -514997.57    402.68456    26999.135    337.63034    1.2312338 
-     560    11.656965    1288.5175    1741.1847    233.74605   -452.66718     589.0843    843.68941    164.33111            0   -639.59483    513593.61   -515003.78    2031.8562    27036.616    333.27376    1.1999696 
-     580    12.050085    1250.4981    1701.8135    228.46065    -451.3154    576.17535    877.82925    152.94556            0   -632.24298    513574.54   -515000.56    328.36451    27076.846    325.70282    1.2583556 
-     600    12.463133    1212.0751    1699.8202    228.19306   -487.74513    586.11242     850.6289     146.9891            0   -635.87543    513564.76   -515000.36   -593.07635    27114.131    325.34702    1.1966401 
-     620    12.857609    1202.6969    1724.5891    231.51816    -521.8922      586.546     815.3615    149.33058            0   -627.92161    513553.83   -514999.04   -16.881985    27141.295    330.08328    1.2224592 
-     640    13.267988    1180.7392    1717.1928    230.52525   -536.45363    595.45079    837.47314    150.14341            0   -635.92342    513512.84   -514996.44    1253.4658    27161.366    328.61164    1.3535393 
-     660    13.661833    1146.6245    1693.9969     227.4113   -547.37231    603.66965    823.99031    147.75109            0   -616.07296    513489.44   -514996.15   -632.85642    27186.187    324.23124    1.1905446 
-     680    14.057714    1112.6845    1649.8772    221.48844   -537.19275    594.76928    869.75332     148.3474            0   -610.67856    513459.02   -514998.41   -656.86895    27208.556    315.75904    1.2280206 
-     700     14.46045     1080.853    1662.6225    223.19944   -581.76952    607.13692    800.72097    155.37025            0   -590.53466    513444.43    -514998.9    1478.4986     27230.38    318.17518    1.2929123 
-     720    14.858115    1074.1453    1681.4035     225.7207    -607.2582    602.55649    804.73664    155.69335            0   -578.62035    513406.54   -514998.16   -312.12065     27255.88    321.76305    1.3178416 
-     740    15.262165    1057.2173    1626.1913    218.30872   -568.97405    614.54113    851.40449    158.65878            0   -585.61227    513391.12   -514999.09   -252.45558    27276.192    311.20516    1.2592718 
-     760    15.664885    1062.4809    1661.9166    223.10468    -599.4357    613.01783    805.30824    157.10102            0   -572.92999    513401.46    -515003.4    8.2424603    27294.015    318.05423    1.2582564 
-     780    16.067218    1054.4338    1611.1036    216.28327   -556.66986    619.88711    869.25572    154.03862            0   -563.00792    513365.76   -515002.61    -325.5131    27313.202    308.30577    1.2766112 
-     800    16.469454    1045.3661    1667.4808    223.85165   -622.11476    607.72536    819.84304     154.6324            0    -551.0017    513351.46   -515004.78   -711.73517    27333.225     319.1255    1.2459692 
-     820    16.874566    1025.6074    1655.4437    222.23572   -629.83638    617.12876    822.09062    147.69173            0   -566.57998    513354.87   -515005.04    399.28085    27347.385    316.79906    1.2953686 
-     840    17.272044    995.37917    1669.6204    224.13888   -674.24128    600.79611     821.7655    140.46192            0   -568.05887    513337.46   -515006.66    583.69527    27361.364     319.5132    1.2991152 
-     860    17.673279    971.05977    1639.0518    220.03518   -667.99202    608.93496    824.23202    133.94234            0   -564.33929    513334.29   -515005.05   -413.73876     27378.37    313.69629    1.2004828 
-     880    18.080302    944.37506    1628.7217    218.64842   -684.34669    617.46083    825.05882    135.40531            0    -569.6048    513312.82   -515005.49    512.87669    27389.533    311.69643    1.2448601 
-     900    18.477336     949.5982    1677.4393    225.18853   -727.84115    624.49844    772.75351    136.94704            0    -549.4139    513292.05   -515004.67    271.20937    27400.579    321.05001     1.211493 
-     920    18.873705    932.25995     1610.381    216.18626   -678.12109    623.29028    843.94403    144.55915            0   -557.17786    513270.07   -515002.81    1097.4299    27412.447    308.17027    1.2686712 
-     940    19.284093    916.57919    1640.5258    220.23305   -723.94658    619.65583    814.76133    144.02609            0   -552.83588    513253.39   -515002.95   -342.60513    27424.209    313.98093    1.1943711 
-     960    19.678839     941.9627    1630.8148     218.9294   -688.85213    647.73279    836.44195    147.48183            0   -533.27218     513217.4   -515004.64   -291.64501    27431.009    312.08648    1.2709839 
-     980    20.091488    888.07492    1615.6407    216.89235   -727.56578    644.39061    818.66717    151.18945            0   -530.05167    513198.49   -515010.26    835.04931    27433.771    309.19916    1.2205907 
-    1000    20.484026    903.45687    1626.7477    218.38341   -723.29085    660.33039    814.13089    154.52432            0   -517.32081    513174.16   -515009.12   -597.08083    27441.855    311.29984    1.2872278 
-    1020    20.884939    884.61313    1628.0576    218.55926   -743.44446    659.18164     792.2445    148.42138            0   -501.95147    513167.72   -515009.06   -227.27612    27447.478    311.54441    1.3024911 
-    1040    21.279846    852.14085    1593.0292    213.85686   -740.88834    648.79571    822.31823    141.59479            0   -492.90372    513148.22   -515008.91    1544.7468    27454.311    304.83469    1.2878493 
-    1060    21.655111    848.20594    1615.8134    216.91553   -767.60742     629.3671    795.01871    137.79728            0    -487.7332    513167.91   -515009.96    818.90975    27467.219    309.21127    1.2684583 
-    1080    22.037992    831.86637    1618.7361    217.30789   -786.86971    636.48473     828.1039    138.80398            0   -531.02117    513152.33   -515011.57   -796.09024    27482.281    309.76171    1.2933978 
-    1100    22.412974    796.80267    1592.7483    213.81915   -795.94567    625.90981    798.78644    146.80857            0   -536.96836    513184.36   -515014.85   -84.200922    27491.353    304.78282    1.2860228 
-    1120    22.801171    772.10069    1567.5834    210.44088   -795.48274    658.82509    788.14264    148.88807            0     -539.176     513162.6   -515014.76    867.66407    27496.215    299.95125    1.3027473 
-    1140     23.17888    770.63813    1565.9379    210.21998    -795.2998     640.7064    799.36864    147.80124            0    -535.9357    513166.65   -515013.89    -1183.537    27499.574    299.64709    1.2856405 
-    1160    23.563832    764.75496    1564.5598    210.03497   -799.80482    647.22053    811.27899    146.29888            0   -543.29534    513150.92   -515012.23    -1228.125    27500.914    299.39235    1.2526237 
-    1180    23.941609    764.17598    1617.4255    217.13195   -853.24954    659.94837    768.65464    144.94873            0   -529.07191    513110.91   -515008.64    107.09246    27498.487    309.51287     1.287252 
-    1200    24.317012    762.98696    1589.6792    213.40714   -826.69227    651.88091    816.19739    145.19502            0   -517.91574    513088.48   -515010.53   -1052.4085    27492.624    304.22381    1.2172354 
-    1220    24.706198    764.88104    1566.9504     210.3559   -802.06936    679.17803     822.8538    134.80594            0   -509.18914    513076.83   -515006.55    694.03102    27483.433    299.85098     1.253554 
-    1240    25.083107    767.93518    1615.6009      216.887   -847.66571    671.38696    801.01511     123.2586            0   -498.24308    513061.33   -515006.42   -367.46541    27476.952    309.13859    1.3441052 
-    1260    25.461219    769.84629     1597.441    214.44912   -827.59471    670.93506    820.00134    122.64096            0   -489.27375    513053.94   -515005.84    -58.54717    27470.667    305.70834    1.2250043 
-    1280    25.850924    761.02257    1637.0908    219.77192   -876.06819    685.99978     801.7347    121.99508            0   -498.90642    513022.12   -515009.01    667.72097     27460.84    313.30874    1.2269128 
-    1300    26.230407    725.15653    1614.5991    216.75252   -889.44257    676.06266    795.73111    129.44616            0   -500.04123    513019.86   -515010.51    346.28961    27453.003    309.01166    1.1958813 
-    1320    26.616651    690.04147    1555.4057    208.80608   -865.36428    674.77824    814.17441    138.30234            0   -503.84683    513024.03    -515012.8   -953.72011    27450.174    297.64076    1.2471902 
-    1340    26.997168    731.37012    1629.8044    218.79375   -898.43423    672.50861    814.71248    139.58285            0   -509.67436    512995.22   -515010.78   -1831.2948    27443.855      311.896    1.2621742 
-    1360    27.377617    745.65434    1610.5181    216.20467    -864.8638    691.11602    810.45797    140.60405            0   -508.77522    513011.95   -515010.21   -479.36536    27427.931    308.19958    1.2616878 
-    1380    27.768431    746.41678    1674.6182     224.8098    -928.2014    661.11056    795.29365    134.53957            0   -512.17435    513003.03      -515010    726.71849    27412.674    320.49072    1.2545772 
-    1400    28.151466    706.81871     1607.416    215.78822    -900.5973    709.47611     804.4224     129.7539            0   -509.52634    512973.57   -515008.29   -712.21584    27401.879    307.61219    1.2445794 
-    1420    28.544365    667.95202    1582.3831    212.42766   -914.43103    664.88892    801.83372    136.47795            0   -514.32654    513008.75   -515012.06   -674.60825    27385.407    302.81863    1.2330197 
-    1440     28.92417    662.21363    1572.2132     211.0624   -909.99957     695.6883    812.01519    141.73013            0   -511.80853    512960.55   -515008.18   -73.453766     27362.02    300.86905     1.233181 
-    1460    29.303746     673.3058     1590.356    213.49799   -917.05016     660.8122    809.16185    137.34151            0   -506.78651     512991.4   -515008.98    487.20204    27337.657    304.34864    1.2293292 
-    1480    29.683979    690.74904    1599.4915    214.72439   -908.74246    688.89665    819.23241    129.49598            0   -495.16925    512954.44   -515005.64    487.60757    27316.061    306.12959     1.159563 
-    1500    30.073856    696.13426    1627.5685    218.49359    -931.4342    677.25983    808.26514    125.60011            0   -489.59764     512955.4   -515008.36    519.17541    27293.341     311.4741    1.2480919 
-    1520    30.451939     716.4485    1613.3483     216.5846   -896.89978    696.36687    820.98027    134.70464            0   -469.43851    512929.25   -515008.76    544.98379    27271.903    308.73614    1.2765559 
-    1540    30.839949    711.84578    1602.4823     215.1259   -890.63656    708.76314    793.80104    146.48285            0   -451.73842    512918.02   -515005.96    454.52189    27257.543    306.63893    1.3081885 
-    1560    31.255883    702.95447    1604.1384    215.34821    -901.1839    701.09472    795.80519    150.09855            0   -450.00841     512908.1   -515006.27   -175.16964    27248.208    306.99599     1.217717 
-    1580    31.634972    666.16399    1593.9574    213.98146   -927.79341    709.48317    798.22341    141.85062            0   -483.91855    512915.54   -515008.98   -174.37068    27241.403    305.02798    1.2549165 
-    1600    32.013681    688.42678    1613.6536    216.62559   -925.22683     708.7011    810.24587    137.18807            0   -474.54073    512902.73   -515009.55    175.74764    27236.695    308.81599    1.2269417 
-    1620    32.377997    686.38631    1599.6555     214.7464   -913.26914    723.55612    796.07516     144.8931            0   -474.73319    512907.37   -515010.43    33.582792    27234.316    306.09396    1.3145429 
-    1640    32.739099    705.79223    1615.3667    216.85556   -909.57442    705.06325    806.35123    150.08668            0   -479.53397    512919.18   -515010.72   -276.47112    27230.877    309.12408    1.2740414 
-    1660    33.111364    701.27726    1607.2688    215.76845   -905.99149    721.97907    787.92231    144.01692            0   -463.68107    512916.64   -515012.87    929.51954    27224.725    307.57382    1.2682264 
-    1680    33.474256    700.51394    1604.7821    215.43463    -904.2682    712.18636    816.32021    135.23856            0   -471.34583    512915.88   -515012.55    169.46579    27223.825    307.07661     1.316103 
-    1700    33.847599    653.51775    1574.3177    211.34492   -920.79992    708.22805    829.01689    135.77013            0   -456.72703    512872.35   -515009.44   -1331.9277    27225.869    301.24451    1.2944188 
-    1720    34.210801    646.19978     1583.018     212.5129   -936.81823    721.83771    788.24431    140.19453            0   -469.87575    512893.23   -515010.45    722.29697    27224.305    302.91185    1.3016769 
-    1740     34.57351    650.08331    1600.9298    214.91747   -950.84647    709.99119    789.79721    138.23225            0   -460.97413    512880.98   -515008.87    1102.6045    27225.414    306.34618    1.3045986 
-    1760    34.947762    647.44786    1591.6127     213.6667   -944.16484    703.25888    831.27698     133.1631            0   -463.47718    512860.59   -515008.98    1152.8885     27230.97    304.56068    1.2966664 
-    1780    35.311829    634.92036     1581.508    212.31019   -946.58767     707.7771    807.97758    140.70709            0    -473.2579    512882.95   -515012.74    229.64632    27235.632    302.63254    1.2770484 
-    1800    35.686407    609.58199    1563.2412    209.85795   -953.65919    706.83652    811.29431    136.56443            0   -482.58705     512887.2   -515012.97   -1428.3239    27239.537    299.14762     1.235579 
-    1820    36.050632    615.78755    1553.6653    208.57243   -937.87771    721.32849    827.06658    126.75248            0   -476.19143    512873.72   -515010.55   -1558.7353    27240.307    297.30295    1.2564383 
-    1840    36.425851    595.24691    1623.2931    217.91965   -1028.0462    715.62813    759.44377    125.14223            0   -486.38933    512873.86   -515015.73   -393.40048    27233.914    310.63049    1.3037899 
-    1860    36.791862    584.14833    1580.8506    212.22194   -996.70229    725.49209    786.41557    129.34385            0   -497.01606    512871.73   -515012.67    -445.7964    27227.234    302.53512    1.2082224 
-    1880    37.159068    571.94192    1587.3128    213.08945   -1015.3709    727.21492    776.53831    128.97058            0   -472.95741    512835.25   -515010.39   -2430.0222     27217.82    303.74009    1.2871788 
-    1900    37.534434    588.18296     1575.532    211.50794   -987.34908    735.18962    822.01431    121.27343            0   -474.15326    512820.83    -515012.5   -1004.9937    27200.966    301.48221    1.2875721 
-    1920    37.899018     595.6429    1593.2862    213.89136   -997.64331    728.16052    813.67464    116.25522            0   -474.41478     512829.4   -515010.72     56.20061    27185.033    304.87735    1.3063391 
-    1940    38.263855    552.10655    1586.7384    213.01234   -1034.6318    727.69915    794.08444    116.66262            0   -474.42985    512811.77   -515010.42    229.42949    27173.976    303.61874    1.3140118 
-    1960    38.637106    571.50083    1614.8554    216.78693   -1043.3546    729.51741    761.23804    128.23909            0   -464.44507    512811.41   -515009.31   -496.32744    27162.867    309.02606    1.2732453 
-    1980    38.999486    554.31018    1603.5237    215.26569   -1049.2135    738.87358     785.7371    126.13553            0     -468.044    512779.36   -515011.27    467.45037    27149.813    306.82565    1.3387674 
-    2000    39.362048    570.16479    1585.0529    212.78608   -1014.8882    754.53304    813.00379    125.06015            0   -448.86583    512751.21   -515009.83   -257.98779    27141.691    303.29539     1.313977 
-Loop time of 39.3621 on 4 procs for 2000 steps with 3000 atoms
-
-Pair  time (%) = 15.1636 (38.5233)
-Bond  time (%) = 2.04281 (5.18978)
-Kspce time (%) = 8.76608 (22.2704)
-Neigh time (%) = 0.513343 (1.30415)
-Comm  time (%) = 1.60174 (4.06924)
-Outpt time (%) = 0.00888807 (0.0225803)
-Other time (%) = 11.2657 (28.6206)
-
-Nlocal:    750 ave 771 max 713 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    5881.75 ave 5954 max 5826 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-Neighs:    178004 ave 198102 max 168052 min
-Histogram: 1 2 0 0 0 0 0 0 0 1
-
-Total # of neighbors = 712018
-Ave neighs/atom = 237.339
-Ave special neighs/atom = 10.5
-Neighbor list builds = 50
-Dangerous builds = 0
diff --git a/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.1 b/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.1
deleted file mode 100644
index d8b8fb07f7..0000000000
--- a/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.1
+++ /dev/null
@@ -1,263 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
-kspace_style pppm 1.0e-4
-
-read_data data.ethanol
-  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  3000 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  2750 bonds
-  reading angles ...
-  3250 angles
-  reading dihedrals ...
-  3000 dihedrals
-  5 = max # of 1-2 neighbors
-  6 = max # of 1-3 neighbors
-  10 = max # of 1-4 neighbors
-  11 = max # of special neighbors
-
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
-pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
-pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
-pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
-pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
-pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
-pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
-pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
-pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    1 thole 2.051000
-pair_coeff    1    2 thole 1.580265
-pair_coeff    1    4 thole 1.416087
-pair_coeff    1    6 thole 2.051000
-pair_coeff    1    7 thole 1.580265
-pair_coeff    1    8 thole 1.416087
-pair_coeff    2    2 thole 1.217570
-pair_coeff    2    4 thole 1.091074
-pair_coeff    2    6 thole 1.580265
-pair_coeff    2    7 thole 1.217570
-pair_coeff    2    8 thole 1.091074
-pair_coeff    4    4 thole 0.977720
-pair_coeff    4    6 thole 1.416087
-pair_coeff    4    7 thole 1.091074
-pair_coeff    4    8 thole 0.977720
-pair_coeff    6    6 thole 2.051000
-pair_coeff    6    7 thole 1.580265
-pair_coeff    6    8 thole 1.416087
-pair_coeff    7    7 thole 1.217570
-pair_coeff    7    8 thole 1.091074
-pair_coeff    8    8 thole 0.977720
-
-group gETHANOL molecule 1:250
-3000 atoms in group gETHANOL
-group gATOMS type 1 2 3 4 5
-2250 atoms in group gATOMS
-group gDRUDES type 6 7 8
-750 atoms in group gDRUDES
-
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 300.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gATOMS  create ${vTEMP} 12345
-velocity gATOMS  create 300 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N C N D D D
-
-fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
-  250 = # of size 2 clusters
-  250 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-comm_modify vel yes
-compute cTEMP_ATOM gATOMS temp
-compute cTEMP all temp/drude
-
-fix fDTDIR all drude/transform/direct
-fix fNPT gATOMS npt temp ${vTEMP} ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso 1 ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso 1 1 500
-fix_modify fNPT temp cTEMP_ATOM press thermo_press
-WARNING: Temperature for fix modify is not for group all (../fix_nh.cpp:1349)
-fix fNVT gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 100.0
-fix fNVT gDRUDES nvt temp 1 ${vTEMP_D} 100.0
-fix fNVT gDRUDES nvt temp 1 1 100.0
-fix fDTINV all drude/transform/inverse
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 20
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.379738
-  grid = 30 30 30
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0289979
-  estimated relative force accuracy = 8.73262e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 50653 27000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 11
-New max number of 1-2 to 1-4 neighbors: 11 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-Memory usage per processor = 17.0416 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170217.61    22094.109    381.62759    10.134301 
-      20     1.485518    11385.192    5995.2334    804.83256    5389.9589    2039.7325    2312.5375     131.6961            0    1710.3266    514098.34   -514902.67    75867.639    22408.275    975.26848    406.07565 
-      40    2.9579411    9812.3728    6009.1747    806.70411    3803.1981    1442.3489    1826.1439    275.19367            0    1288.2864    513934.98   -514963.76    48675.043    22980.115    1057.0176    221.56359 
-      60    4.3728549    8857.9452    5779.5973     775.8844     3078.348    1190.8978    1938.6134     328.6837            0    619.31805    513970.98   -514970.15     39710.61    23440.966    1050.9011    133.14424 
-      80     5.817939    8115.7843    5997.9225    805.19356    2117.8618    901.84106    1587.5472    325.40763            0    288.34562    513957.43   -514942.71    37588.951    23834.833      1111.65    89.054921 
-     100     7.207612    7496.2553    5770.3833    774.64747     1725.872    829.63908    1420.6659     325.4016            0    62.343574    514051.62   -514963.79    27294.064    24225.918    1080.2687    60.498472 
-     120     8.656971     6986.593    5396.9479    724.51547    1589.6452    678.24993    1535.5197    325.88462            0   -9.6649617    514027.05    -514967.4    21720.902    24578.195    1016.3014    42.715636 
-     140    10.075453    6549.0006    5126.6341    688.22709    1422.3665    724.95472    1477.7714    315.11964            0   -99.456486    513960.58    -514956.6    19747.307    24877.008    969.51239    30.977085 
-     160    11.492728    6131.3317    5000.4421     671.2864    1130.8896    703.24858    1302.1192    314.93994            0    -258.4539    514042.29   -514973.25    23050.008    25142.654    948.73049    23.021806 
-     180    12.899685    5749.9765    4700.9451     631.0803    1049.0314    674.94525    1301.4114    310.04938            0   -326.73679    514044.26    -514954.9    14225.485    25400.048    893.75893    17.322076 
-     200    14.301162     5429.601    4392.5738    589.68286    1037.0272    612.00108    1296.2432    303.16019            0   -300.38658     514093.7   -514967.69    10835.073    25622.866    836.16806    13.764486 
-     220    15.696118    5133.8318    4290.7369    576.01173    843.09487    572.51989    1261.8055    289.99072            0   -383.71584     514078.3   -514975.81    12509.826    25814.229    817.78562    11.104636 
-     240    17.080213    4850.3856    4120.3632    553.13985     730.0224    553.79224    1263.6533    278.92142            0   -487.76523    514091.35   -514969.93    10891.878    25996.167    785.87194     9.360776 
-     260    18.465174    4583.9875    3911.0361    525.03865    672.95138    541.52251    1175.1552    273.43365            0   -475.23638    514139.68   -514981.61    8086.1512     26168.96    746.55574    7.4653786 
-     280    19.852883     4349.224    3692.2792    495.67153     656.9448    598.81912    1148.0997     278.8781            0   -444.09603    514045.38   -514970.13    5124.6373    26323.056    705.04252    6.4783461 
-     300    21.231065    4128.9017    3579.5067    480.53234    549.39506    584.06591    1089.5131    267.69425            0   -456.87099    514043.55   -514978.56    8350.7757    26456.831     683.9437    5.2650983 
-     320    22.561911    3913.7712    3456.9151    464.07498    456.85609    556.31985    1103.3901    263.88855            0   -485.54294    514000.27   -514981.47    9117.6459    26592.844    660.74075    4.5694113 
-     340    23.929412    3712.7166    3258.4133    437.42702    454.30336    533.72419    1069.0448    271.85689            0   -454.53939    514001.97   -514967.75    7187.6779    26736.819    622.98237    3.8812919 
-     360    25.298241    3533.3834    3024.1004     405.9716      509.283    522.55431    1104.3208    276.30858            0   -456.06655    514036.53   -514974.36    4554.9866    26876.658    578.31181    3.3031408 
-     380    26.653809    3367.1792    2971.2716    398.87957     395.9076    508.27241    1059.2248    257.85685            0   -499.68496    514032.55   -514962.31    5645.8914    27002.069    568.38695    2.8305175 
-     400    27.984353      3204.91    2874.2403    385.85357     330.6697    543.88404    1018.8809     231.0702            0   -519.33317    514029.07    -514972.9    7250.7332    27123.905    549.89179    2.5832582 
-     420    29.327209    3050.6948    2776.6044    372.74639    274.09045    517.42853    953.07587    226.06727            0   -505.60565    514057.02    -514973.9    4026.2599    27250.314    531.28066    2.3360848 
-     440    30.659683    2916.2839    2640.2361    354.43958    276.04784    507.06292    983.97321    236.01275            0   -534.64355    514059.65   -514976.01     1708.709    27364.195    505.24974    2.0766005 
-     460    31.992583     2787.525    2609.5902    350.32551    177.93474    485.64363    933.57925    234.95003            0   -560.61762    514069.83   -514985.45    3400.5279    27458.081    499.48923    1.8097259 
-     480     33.31755    2662.4984     2514.178    337.51686    148.32032    464.67048    928.26208    239.37956            0   -570.38407    514070.86   -514984.47    5084.8141    27547.559    481.26944    1.6441427 
-     500    34.613889    2540.5549    2433.5506      326.693    107.00428     473.2945    888.73268    239.40601            0   -565.68704    514057.33   -514986.07    3134.3501    27643.279    465.87942    1.4891047 
-     520    35.938482    2432.2066    2375.3401     318.8785    56.866542    460.28751    838.60926    229.00792            0   -579.13212    514093.74   -514985.64     468.2133    27732.471    454.76753    1.3789356 
-     540    37.265891    2328.8169    2275.0595    305.41629    53.757389    473.08203    875.54175    220.60944            0   -604.11384    514075.79   -514987.16    2632.7788    27804.408    435.55773    1.3457265 
-     560    38.585909     2228.615    2278.3234    305.85446   -49.708475    455.58479    820.87878    215.10334            0   -604.72924    514052.45      -514989    3784.1482    27875.141     436.2741    1.1341618 
-     580    39.864162    2134.4158    2127.9962    285.67372    6.4195621    480.68268    836.80009    219.13915            0   -563.30768    514019.28   -514986.18    1359.5813    27951.068    407.46382    1.1159366 
-     600    41.132397    2048.4786    2102.9549    282.31205   -54.476369      486.301     796.4297    225.04029            0   -574.89865    514003.04   -514990.39   -91.415091    28017.963    402.69767    1.0358319 
-     620    42.405012    1967.4398    2048.4364    274.99318   -80.996617    477.38045    786.20744    223.98682            0   -570.14553    513997.93   -514996.35    1828.8595    28070.312     392.2521     1.022392 
-     640    43.643353    1888.1318     1981.566    266.01614   -93.434276    482.74658    801.17689     222.6863            0   -557.43781    513952.32   -514994.92    3812.5364    28123.574    379.47296   0.92888928 
-     660    44.915581    1813.0614    1959.0105    262.98817   -145.94913    498.25019    750.64037    217.17325            0   -556.66234    513938.55    -514993.9    1151.2432    28187.531    375.17108   0.87739869 
-     680    46.131009     1744.832    1911.6741    256.63347   -166.84215      497.042     725.1867    211.01897            0   -553.89849     513944.3   -514990.49    108.93436    28245.999    366.12859   0.80270448 
-     700    47.378681    1678.1626    1915.3894    257.13223   -237.22675    490.51486    719.69339     202.0347            0   -569.53306    513909.13   -514989.07    2213.2126    28294.676    366.86703    0.7415387 
-     720    48.690897     1612.159    1862.0857    249.97645   -249.92665    500.42275    728.44427    190.27551            0   -551.64449    513871.72   -514989.15    3052.5203    28347.921    356.64837   0.74199709 
-     740    49.934569    1549.9154    1792.3586    240.61591   -242.44316    497.29161     738.6029    175.53735            0   -547.70029    513880.64   -514986.81    738.07583    28409.346    343.29748    0.7047584 
-     760    51.094031     1493.142    1799.8956    241.62772   -306.75355    503.57846    709.28495      169.315            0   -559.17689    513862.16   -514991.92   -783.63021    28463.359    344.75885   0.66625263 
-     780    52.252971    1437.0347    1824.9884    244.99631   -387.95371    510.42774    661.31982    170.22096            0    -556.6031    513818.26   -514991.58    1267.2418    28503.342    349.56302   0.68065177 
-     800    53.379442    1382.5833    1736.7991     233.1573   -354.21576    514.27927    697.39594    172.11416            0   -554.93314    513805.74   -514988.82    1744.7887    28543.483     332.6636   0.66505935 
-     820    54.535354    1332.0444    1690.9869    227.00722   -358.94246    509.37721    686.56084    172.95747            0    -552.9503    513815.42   -514990.31   -146.04973    28586.706    323.91193   0.59356881 
-     840    55.662329    1285.5292    1685.7755    226.30763    -400.2463    507.19453    662.75433    170.55434            0   -559.51859    513807.26   -514988.49   -690.17907    28621.308    322.91069   0.59874377 
-     860    56.818479    1239.7941     1704.701    228.84829   -464.90694    495.88426    658.89439       170.35            0   -574.82793    513772.87   -514988.08    747.19844    28645.708    326.53594   0.60530564 
-     880    57.943864    1195.2063     1673.557    224.66734   -478.35068    498.99876    648.88199    170.51747            0   -557.50857    513743.81   -514983.05    1172.7738    28670.551    320.58027   0.57096305 
-     900      59.0976     1153.211    1639.9315    220.15327   -486.72046    502.47627    643.51354    178.69816            0   -556.38628    513730.32   -514985.34   -511.45034      28697.8    314.13849   0.56088797 
-     920    60.220959    1114.1597    1616.0109    216.94205   -501.85117    514.79499    630.19604    179.36393            0    -549.5453    513714.55   -514991.21   -1422.3991      28716.8    309.54311   0.58363424 
-     940    61.375362    1076.2186    1627.0408    218.42275   -550.82218    512.57892    621.31041    171.65194            0   -553.00757    513686.04   -514989.39    298.61672    28723.941     311.6754   0.54200743 
-     960    62.499341    1040.0389    1613.5611    216.61317   -573.52223    511.50602    601.98148    170.02159            0   -546.21393    513682.82   -514993.64     795.9161    28731.421    309.07527   0.57946382 
-     980    63.655075     1005.556    1568.0264    210.50035   -562.47043    514.81982    629.32987    175.28567            0   -544.55487    513654.62   -514991.97   -1246.9263    28741.462    300.35589   0.55675479 
-    1000    64.806202    973.43261    1565.2247    210.12423   -591.79208    505.29272    600.76239    165.17131            0   -554.93533    513685.36   -514993.44   -1299.5982    28742.028    299.81847   0.55749205 
-    1020    65.904504    942.29451    1571.0425    210.90525   -628.74802    506.25414    614.54444    152.41332            0   -569.19989     513660.6   -514993.36   -197.56562    28733.474    300.93111   0.56370125 
-    1040    67.002294    912.00673     1595.282    214.15928   -683.27525    489.63949    569.70488    159.39981            0   -590.61096    513680.38   -514991.79    467.80409    28724.916    305.58073   0.55701412 
-    1060    68.131496    883.21094    1542.2424    207.03896   -659.03142    503.00762    589.40955    165.92561            0   -599.75208    513674.64   -514992.26   -2147.8302    28718.434    295.39729   0.59345978 
-    1080    69.232333    856.19557    1533.4133    205.85369   -677.21769    507.87992     576.5184    168.18594            0   -578.48413    513634.34   -514985.66   -1762.0347    28699.147    293.70385   0.59551254 
-    1100    70.364775    831.37376    1484.1452    199.23968   -652.77147    514.07523    608.66719    163.10107            0   -567.48676    513613.52   -514984.65    33.310994    28670.682    284.25195   0.61206838 
-    1120    71.467535    808.52739    1521.0421    204.19292   -712.51473    513.69276    561.64386    163.23813            0   -559.45919    513591.61   -514983.24   -310.61111     28645.19    291.32265   0.61797603 
-    1140    72.601129    786.87835    1489.4671    199.95412   -702.58878    523.98829    584.70722    162.29577            0   -549.08561    513559.92   -514984.41   -1685.4255    28620.437    285.26086   0.63846185 
-    1160    73.705792    766.63847    1508.1762    202.46573   -741.53775    514.32182    584.88936    152.54558            0   -535.15913    513525.59   -514983.73   -1902.1776    28587.352    288.83351   0.67096701 
-    1180    74.841457    749.02843    1510.9898    202.84344   -761.96133    536.04857     571.2202    147.21017            0   -519.34217    513485.23   -514982.33    867.83936    28547.617    289.35403   0.71492747 
-    1200    75.948637    733.34578    1503.6833    201.86257   -770.33748    533.86604    589.40444    152.04389            0   -519.58392    513457.87   -514983.94    16.285861    28517.381    287.94489   0.73468233 
-    1220    77.086539    718.25616    1498.0744     201.1096   -779.81819    559.89022    564.22113    156.14265            0   -507.10566    513432.51   -514985.47   -1279.2454    28491.203    286.86449   0.74672427 
-    1240    78.196455     704.4456    1488.8421    199.87022    -784.3965    566.03391     579.8182     161.3278            0   -468.50406    513361.56   -514984.64   -54.414997    28461.145     285.0822    0.7757678 
-    1260    79.336046    693.03071    1494.0932    200.57516   -801.06253    573.59408    573.29809    158.50778            0    -453.3769    513333.73   -514986.81    977.78497    28434.874    286.06644   0.82806578 
-    1280    80.450187    683.34372    1478.8974    198.53519   -795.55372    580.51573    596.90975    153.51449            0   -437.44107    513297.84   -514986.89    809.72996    28418.785    283.14058   0.85789606 
-    1300    81.562086    675.21003    1490.4096    200.08064   -815.19955    586.94949      575.877    144.63393            0   -412.94901    513274.99    -514984.7   -448.50658    28409.979     285.3107   0.94374006 
-    1320    82.704837    668.21879    1489.4584    199.95295   -821.23962    576.22292    605.97557    140.59647            0   -423.93742    513262.85   -514982.94   -41.054413    28400.286    285.13719    0.9231239 
-    1340    83.820401      662.582    1506.0415    202.17916   -843.45952    580.69502    578.24319    144.89986            0   -430.94868     513260.2   -514976.55    977.60126    28392.044    288.28069    1.0060194 
-    1360    84.965785    658.24059    1527.9683    205.12273    -869.7277    577.91541    570.19843    152.39114            0   -451.12207    513259.47   -514978.58    371.63239    28390.774    292.47304    1.0318294 
-    1380    86.080907    654.92452    1486.6437    199.57509   -831.71915    580.08964      585.152    157.63831            0   -437.00747    513263.59   -514981.18    -247.9673    28392.439     284.5256    1.0911219 
-    1400    87.195704    652.93764    1510.6586    202.79899     -857.721    568.92903    573.37125    151.89337            0   -426.43036    513257.39   -514982.88   -51.617883    28392.618    289.11402    1.1268379 
-    1420     88.34689    651.93794    1494.4977    200.62946   -842.55979    571.38046    600.63765    145.50987            0   -443.12588    513270.14    -514987.1    743.13616    28392.861    285.98783    1.1924311 
-    1440    89.493044    651.84231    1520.3977    204.10641   -868.55537    569.30886    591.50444    144.87083            0   -452.53315    513268.23   -514989.93    461.56063    28397.854    290.94803    1.2038182 
-    1460    90.608597    652.79726    1538.7134    206.56522   -885.91619    576.98896     569.0177    144.49629            0   -461.96923    513277.97   -514992.42   -706.12558    28404.942     294.4277    1.2773313 
-    1480    91.757208    654.35279    1560.3813    209.47403   -906.02856    573.31257    551.02062    151.79154            0   -471.83285    513285.31   -514995.63   -636.13512    28406.735    298.57005    1.3040147 
-    1500    92.886091    656.18474    1535.2238    206.09675   -879.03909    565.77757    581.30733    155.02848            0   -493.04533    513302.18   -514990.29    143.11549     28404.04    293.73748    1.3269254 
-    1520    94.042872    658.68485    1540.4536    206.79882   -881.76871     562.4227    566.55678    153.51217            0   -481.25224    513306.12   -514989.13    320.11741    28402.365    294.71422    1.3871403 
-    1540    95.163877    662.00561    1525.2953     204.7639   -863.28974    547.96338    591.50659    150.34534            0   -461.18073     513297.4   -514989.32   -131.34055    28402.834    291.79671    1.4143192 
-    1560    96.312922     666.1124    1506.6675     202.2632   -840.55513     559.7266    593.99441    157.20165            0   -475.77029    513317.32   -514993.02     -361.762    28402.279    288.23662    1.3888658 
-    1580    97.430754    670.56531    1535.7659    206.16953   -865.20063    562.32491    577.33497    164.90914            0   -495.18787    513321.56   -514996.14    281.32907    28399.686      293.815    1.3885206 
-    1600    98.548553    676.03467    1559.0361    209.29344   -883.00142    570.63265    568.63747    171.76131            0   -497.53636    513299.62   -514996.12   -83.071675    28398.615    298.25471    1.4380743 
-    1620     99.69614    681.61565    1551.6098    208.29649   -869.99417    572.80627    589.25676    175.66645            0   -486.29635    513275.79   -514997.22   -1208.1908     28396.28    296.81124    1.4843702 
-    1640    100.81368    687.56466    1565.2232    210.12403   -877.65855     578.7743    586.81939     173.9181            0   -490.97778    513266.56   -514992.76   -587.86248    28386.365    299.44244    1.4342399 
-    1660    101.96336    693.76095    1558.3222     209.1976   -864.56124    583.58497    605.24119    171.44101            0   -488.52963    513255.46   -514991.76    335.92415    28373.356     298.0981    1.4841753 
-    1680    103.08285    699.76249    1608.1314    215.88426   -908.36892    585.35458    590.64567    171.79357            0   -478.93732    513211.41   -514988.64    91.212095    28363.527    307.67509    1.4177962 
-    1700    104.23343    705.16423    1586.5697     212.9897   -881.40546    609.44211    582.01973    172.76356            0   -457.12517    513197.39   -514985.89   -662.76266    28354.912    303.56619    1.3605633 
-    1720    105.38429    709.98606    1609.0843    216.01219   -899.09829    612.02708    597.82638    167.68834            0   -444.72348    513153.41   -514985.33   -92.038463    28343.124    307.84128    1.4562833 
-    1740    106.50511    714.51622    1579.8945    212.09359   -865.37833    624.49924    619.60972    166.03466            0    -425.9731    513136.37   -514985.92    1173.1099    28332.574    302.27863    1.3790325 
-    1760    107.65668    718.07347     1624.056    218.02206    -905.9825    608.96798    597.96224    154.72096            0   -409.37211    513132.37   -514990.63    786.32681    28330.712    310.74964    1.3669913 
-    1780    108.77729    720.46707    1606.3817    215.64937   -885.91465    639.71765    615.06161    152.57928            0   -394.48439    513088.38   -514987.17   -271.86201    28334.236     307.3761    1.3327989 
-    1800    109.92899    721.98649    1608.1038    215.88055   -886.11732    621.68949    602.68633    163.61329            0   -397.09967    513111.57   -514988.58    587.45646    28336.693    307.73281    1.2707867 
-    1820    111.05093    722.92155    1567.2948    210.40212    -844.3732     657.9717    609.80843    174.58395            0   -387.74403    513087.19   -514986.18    1657.5204    28343.522     299.9292    1.2250789 
-    1840    112.17289    723.61458    1561.6308    209.64177   -838.01626    621.38222      638.008    181.56394            0   -392.76804    513100.91   -514987.12    951.04423     28360.92     298.8574     1.192447 
-    1860    113.32517    724.57888    1559.5079    209.35678   -834.92903    648.61916    621.88348    182.62731            0   -413.59874    513115.13   -514989.59   -474.05956    28382.975     298.4495    1.1946089 
-    1880    114.44655    725.74322    1588.6378    213.26733   -862.89459    616.10137     598.6142    185.03327            0   -431.03949     513153.5   -514985.11    326.23753    28401.004    304.06324    1.1258592 
-    1900    115.60092    726.63642    1552.6045    208.43002   -825.96805    615.20719    632.90186    175.31959            0   -439.29325    513177.07   -514987.17    1080.7061    28419.738    297.15171    1.1348451 
-    1920    116.72882    727.57597    1579.3221    212.01674   -851.74611    606.50987    618.17792    169.75157            0   -442.63284    513179.83   -514983.38   -43.794187    28443.345     302.3028    1.0665772 
-    1940    117.88137    728.52961    1573.1141    211.18335   -844.58454    624.72383     626.3057    166.98593            0   -453.41808    513175.12    -514984.3   -900.58801    28464.403    301.13166    1.0223996 
-    1960      119.003    728.94698    1626.2629    218.31833   -897.31596    599.28223    602.89095    166.05528            0   -470.08979    513190.07   -514985.52   -260.33773    28477.732    311.33029   0.99933978 
-    1980    120.15553    728.20483    1628.3695    218.60113   -900.16467    612.33461    601.10447    163.81406            0   -448.48915    513155.61   -514984.54    821.49207    28488.285    311.74795   0.96708127 
-    2000    121.27853    726.32991    1617.7225    217.17182   -891.39259    608.69121    604.99032    169.22497            0   -445.16887    513154.27    -514983.4   -472.67394    28502.073    309.74198   0.88520672 
-Loop time of 121.279 on 1 procs for 2000 steps with 3000 atoms
-
-Pair  time (%) = 55.4018 (45.6815)
-Bond  time (%) = 7.86978 (6.48901)
-Kspce time (%) = 13.9231 (11.4803)
-Neigh time (%) = 2.17099 (1.79008)
-Comm  time (%) = 0.43024 (0.354754)
-Outpt time (%) = 0.0126977 (0.0104699)
-Other time (%) = 41.4699 (34.194)
-
-Nlocal:    3000 ave 3000 max 3000 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    10468 ave 10468 max 10468 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    662422 ave 662422 max 662422 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 662422
-Ave neighs/atom = 220.807
-Ave special neighs/atom = 10.5
-Neighbor list builds = 63
-Dangerous builds = 0
diff --git a/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.4 b/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.4
deleted file mode 100644
index 893c889b8b..0000000000
--- a/examples/USER/drude/ethanol/log.ethanol.nh.8Jul15.linux.4
+++ /dev/null
@@ -1,263 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style hybrid/overlay lj/cut/coul/long 8.0 8.0 thole 2.600 8.0
-kspace_style pppm 1.0e-4
-
-read_data data.ethanol
-  orthogonal box = (-14.0138 -14.0278 -14.0189) to (14.0169 14.0177 14.0857)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  3000 atoms
-  scanning bonds ...
-  5 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  9 = max dihedrals/atom
-  reading bonds ...
-  2750 bonds
-  reading angles ...
-  3250 angles
-  reading dihedrals ...
-  3000 dihedrals
-  5 = max # of 1-2 neighbors
-  6 = max # of 1-3 neighbors
-  10 = max # of 1-4 neighbors
-  11 = max # of special neighbors
-
-
-pair_coeff    1    1 lj/cut/coul/long 0.065997 3.500000 # C3H C3H
-pair_coeff    1    2 lj/cut/coul/long 0.065997 3.500000 # C3H CTO
-pair_coeff    1    3 lj/cut/coul/long 0.044496 2.958040 # C3H H
-pair_coeff    1    4 lj/cut/coul/long 0.105921 3.304542 # C3H OH
-pair_coeff    1    5 lj/cut/coul/long 0.000000 0.000000 # C3H HO
-pair_coeff    2    2 lj/cut/coul/long 0.065997 3.500000 # CTO CTO
-pair_coeff    2    3 lj/cut/coul/long 0.044496 2.958040 # CTO H
-pair_coeff    2    4 lj/cut/coul/long 0.105921 3.304542 # CTO OH
-pair_coeff    2    5 lj/cut/coul/long 0.000000 0.000000 # CTO HO
-pair_coeff    3    3 lj/cut/coul/long 0.029999 2.500000 # H H
-pair_coeff    3    4 lj/cut/coul/long 0.071413 2.792848 # H OH
-pair_coeff    3    5 lj/cut/coul/long 0.000000 0.000000 # H HO
-pair_coeff    4    4 lj/cut/coul/long 0.169996 3.120000 # OH OH
-pair_coeff    4    5 lj/cut/coul/long 0.000000 0.000000 # OH HO
-pair_coeff    5    5 lj/cut/coul/long 0.000000 0.000000 # HO HO
-pair_coeff    *  6*8 lj/cut/coul/long 0.000000 0.000000 # No lj for drudes
-pair_coeff    1    1 thole 2.051000
-pair_coeff    1    2 thole 1.580265
-pair_coeff    1    4 thole 1.416087
-pair_coeff    1    6 thole 2.051000
-pair_coeff    1    7 thole 1.580265
-pair_coeff    1    8 thole 1.416087
-pair_coeff    2    2 thole 1.217570
-pair_coeff    2    4 thole 1.091074
-pair_coeff    2    6 thole 1.580265
-pair_coeff    2    7 thole 1.217570
-pair_coeff    2    8 thole 1.091074
-pair_coeff    4    4 thole 0.977720
-pair_coeff    4    6 thole 1.416087
-pair_coeff    4    7 thole 1.091074
-pair_coeff    4    8 thole 0.977720
-pair_coeff    6    6 thole 2.051000
-pair_coeff    6    7 thole 1.580265
-pair_coeff    6    8 thole 1.416087
-pair_coeff    7    7 thole 1.217570
-pair_coeff    7    8 thole 1.091074
-pair_coeff    8    8 thole 0.977720
-
-group gETHANOL molecule 1:250
-3000 atoms in group gETHANOL
-group gATOMS type 1 2 3 4 5
-2250 atoms in group gATOMS
-group gDRUDES type 6 7 8
-750 atoms in group gDRUDES
-
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 300.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gATOMS  create ${vTEMP} 12345
-velocity gATOMS  create 300 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C N C N D D D
-
-fix fSHAKE gATOMS shake 0.0001 20 0 b 2 3 5
-  250 = # of size 2 clusters
-  250 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-comm_modify vel yes
-compute cTEMP_ATOM gATOMS temp
-compute cTEMP all temp/drude
-
-fix fDTDIR all drude/transform/direct
-fix fNPT gATOMS npt temp ${vTEMP} ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 ${vTEMP} 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso ${vPRESS} ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso 1 ${vPRESS} 500
-fix fNPT gATOMS npt temp 300 300 100 iso 1 1 500
-fix_modify fNPT temp cTEMP_ATOM press thermo_press
-WARNING: Temperature for fix modify is not for group all (../fix_nh.cpp:1349)
-fix fNVT gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 100.0
-fix fNVT gDRUDES nvt temp 1 ${vTEMP_D} 100.0
-fix fNVT gDRUDES nvt temp 1 1 100.0
-fix fDTINV all drude/transform/inverse
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 20
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.379738
-  grid = 30 30 30
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0289979
-  estimated relative force accuracy = 8.73262e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 17908 7200
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 11
-New max number of 1-2 to 1-4 neighbors: 11 (+0)
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 10
-Memory usage per processor = 13.7041 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume cTEMP[1] cTEMP[2] 
-       0            0    13868.828    2013.3852    270.28772    11855.443     3145.896    51.880809 0.00019113234            0    8481.5109    514734.14   -514557.98    170217.61    22094.109    381.62759    10.134301 
-      20   0.48582006    11385.192    5995.2334    804.83256    5389.9589    2039.7325    2312.5375     131.6961            0    1710.3266    514098.34   -514902.67    75867.639    22408.275    975.26848    406.07565 
-      40   0.99611902    9812.3727    6009.1747    806.70411     3803.198    1442.3489    1826.1439    275.19367            0    1288.2864    513934.98   -514963.76    48675.043    22980.115    1057.0177    221.56359 
-      60    1.4878449    8857.9452    5779.5973     775.8844     3078.348    1190.8978    1938.6134     328.6837            0    619.31805    513970.98   -514970.15    39710.611    23440.966    1050.9011    133.14424 
-      80    1.9926319    8115.7842    5997.9225    805.19356    2117.8617    901.84105    1587.5472    325.40763            0    288.34562    513957.43   -514942.71     37588.95    23834.833      1111.65     89.05492 
-     100     2.476769    7496.2555    5770.3833    774.64747    1725.8722    829.63908    1420.6659     325.4016            0    62.343573    514051.62   -514963.79    27294.064    24225.918    1080.2687    60.498473 
-     120    2.9719281    6986.5933    5396.9479    724.51547    1589.6454    678.24993    1535.5197    325.88462            0   -9.6649715    514027.05    -514967.4    21720.902    24578.195    1016.3014    42.715633 
-     140    3.4472849    6549.0004    5126.6341    688.22709    1422.3663    724.95473    1477.7714    315.11964            0   -99.456489    513960.58    -514956.6    19747.305    24877.008    969.51239    30.977084 
-     160    3.8980451    6131.3313    5000.4421     671.2864    1130.8892    703.24856    1302.1192    314.93994            0    -258.4539    514042.28   -514973.25    23050.008    25142.654    948.73049    23.021804 
-     180    4.3219371    5749.9765    4700.9451     631.0803    1049.0314    674.94524    1301.4114    310.04938            0   -326.73679    514044.26    -514954.9    14225.484    25400.048    893.75892    17.322075 
-     200     4.740237    5429.6012    4392.5738    589.68286    1037.0274    612.00109    1296.2432    303.16019            0   -300.38659     514093.7   -514967.69    10835.073    25622.866    836.16806    13.764486 
-     220      5.15255    5133.8314    4290.7369    576.01173    843.09448     572.5199    1261.8055    289.99074            0   -383.71584     514078.3   -514975.81    12509.825    25814.229    817.78562    11.104636 
-     240    5.5619049    4850.3859    4120.3634    553.13987     730.0225    553.79223    1263.6533    278.92141            0   -487.76524    514091.35   -514969.93    10891.878    25996.167    785.87197    9.3607763 
-     260    5.9694359     4583.988    3911.0361    525.03865    672.95183    541.52258    1175.1553    273.43363            0   -475.23639    514139.68   -514981.61    8086.1508     26168.96    746.55574    7.4653781 
-     280    6.3831999    4349.2238    3692.2792    495.67153    656.94461    598.81909    1148.0997    278.87809            0   -444.09603    514045.38   -514970.13    5124.6371    26323.056    705.04252    6.4783461 
-     300    6.8002019    4128.9011    3579.5067    480.53234    549.39444     584.0659     1089.513    267.69426            0   -456.87099    514043.55   -514978.56    8350.7748    26456.831    683.94371    5.2650989 
-     320    7.2020841    3913.7715    3456.9151    464.07498    456.85644    556.31985    1103.3901     263.8886            0   -485.54294    514000.27   -514981.47     9117.645    26592.844    660.74075    4.5694128 
-     340     7.614501    3712.7165    3258.4132    437.42702    454.30329    533.72422    1069.0449    271.85681            0   -454.53938    514001.97   -514967.75    7187.6789    26736.819    622.98237    3.8812925 
-     360    8.0251679    3533.3831    3024.1004    405.97159    509.28269    522.55432    1104.3208    276.30864            0   -456.06652    514036.53   -514974.36    4554.9866    26876.658     578.3118    3.3031414 
-     380    8.4368989    3367.1791    2971.2717    398.87959    395.90735    508.27248    1059.2247    257.85692            0   -499.68504    514032.55   -514962.31    5645.8885    27002.069    568.38697    2.8305185 
-     400     8.841274    3204.9102    2874.2407    385.85361    330.66952      543.884    1018.8809    231.07032            0   -519.33317    514029.07    -514972.9    7250.7314    27123.905    549.89185      2.58326 
-     420    9.2528131    3050.6946    2776.6047    372.74643    274.08991    517.42853    953.07588    226.06762            0   -505.60561    514057.02    -514973.9     4026.258    27250.314    531.28072    2.3360857 
-     440    9.6643951    2916.2842    2640.2367    354.43965    276.04748    507.06285    983.97334    236.01271            0   -534.64347    514059.65   -514976.01    1708.7076    27364.195    505.24986    2.0765971 
-     460    10.070477     2787.525    2609.5902     350.3255    177.93484    485.64382    933.57906    234.95019            0   -560.61753    514069.83   -514985.45    3400.5283    27458.081    499.48921    1.8097272 
-     480    10.475857    2662.4983    2514.1778    337.51682     148.3205    464.67048     928.2622    239.37954            0   -570.38391    514070.86   -514984.47    5084.8137    27547.559    481.26939    1.6441432 
-     500    10.904204    2540.5544    2433.5504    326.69297    107.00399    473.29419    888.73276    239.40578            0   -565.68691    514057.33   -514986.07    3134.3575    27643.279    465.87938    1.4891037 
-     520    11.343421    2432.2068    2375.3395    318.87842    56.867315    460.28707    838.60936    229.00812            0   -579.13202    514093.74   -514985.64     468.2212    27732.471    454.76741    1.3789343 
-     540    11.792302    2328.8171    2275.0598    305.41633    53.757301     473.0817    875.54202    220.60952            0   -604.11383    514075.79   -514987.16    2632.7729    27804.408    435.55777    1.3457292 
-     560     12.22888    2228.6146     2278.324    305.85454   -49.709377     455.5848    820.87873    215.10398            0   -604.72916    514052.45      -514989    3784.1433    27875.141    436.27421    1.1341637 
-     580    12.654423    2134.4153    2127.9966    285.67378     6.418699    480.68271    836.79983    219.13997            0   -563.30761    514019.28   -514986.18    1359.5795    27951.068    407.46389    1.1159357 
-     600    13.083667     2048.478    2102.9555    282.31212   -54.477504    486.30135    796.43014    225.04094            0   -574.89912    514003.04   -514990.39   -91.420338    28017.963    402.69778    1.0358317 
-     620      13.5203      1967.44    2048.4369    274.99325    -80.99691    477.38009    786.20772    223.98767            0   -570.14552    513997.92   -514996.35     1828.852    28070.312     392.2522     1.022388 
-     640    13.946543    1888.1309    1981.5653    266.01604   -93.434406    482.74621    801.17707    222.68721            0   -557.43764    513952.32   -514994.92    3812.5405    28123.574    379.47281   0.92888841 
-     660    14.383896    1813.0614    1959.0076    262.98777   -145.94621    498.24936    750.64093    217.17501            0   -556.66175    513938.55    -514993.9    1151.2704    28187.531    375.17051    0.8773937 
-     680     14.80455    1744.8321    1911.6727    256.63328   -166.84059    497.04089    725.18698    211.02114            0   -553.89822     513944.3   -514990.49     108.9445    28245.999     366.1283   0.80270876 
-     700    15.246875    1678.1628     1915.389    257.13218   -237.22624    490.51443    719.69473    202.03683            0   -569.53274    513909.13   -514989.07    2213.2168    28294.676    366.86695   0.74153849 
-     720    15.683303     1612.159    1862.0857    249.97646    -249.9267    500.42186    728.44302     190.2785            0   -551.64436    513871.73   -514989.15    3052.5153    28347.921    356.64838   0.74199104 
-     740    16.103407     1549.912    1792.3564    240.61562   -242.44438    497.29156    738.60345    175.54129            0    -547.7015    513880.63   -514986.81    737.97658    28409.346    343.29706   0.70477013 
-     760    16.533572    1493.1418    1799.8951    241.62766   -306.75333    503.57865    709.28516    169.31508            0   -559.17797    513862.16   -514991.92   -783.64904    28463.359    344.75876   0.66625709 
-     780    16.963103    1437.0356    1824.9946    244.99715     -387.959    510.43018    661.31998     170.2197            0   -556.60498    513818.25   -514991.58    1267.2099    28503.341    349.56422   0.68065257 
-     800    17.384911    1382.5837    1736.8044    233.15801   -354.22065    514.28158    697.39733    172.11237            0   -554.93413    513805.74   -514988.82    1744.7575    28543.482    332.66462   0.66506284 
-     820    17.818295    1332.0449    1690.9863    227.00714   -358.94137    509.37962    686.56323    172.95557            0   -552.94994    513815.42   -514990.31   -146.04099    28586.704    323.91181   0.59356692 
-     840    18.239769    1285.5293    1685.7656    226.30629   -400.23625    507.19659    662.75791    170.55111            0    -559.5183    513807.26   -514988.49   -690.12588    28621.306    322.90879   0.59871543 
-     860    18.672279    1239.7943    1704.6913    228.84697   -464.89697    495.88249    658.89516    170.34465            0   -574.82534    513772.88   -514988.07    747.30519    28645.706    326.53407   0.60529545 
-     880    19.094243    1195.2074    1673.5516    224.66662   -478.34417    498.99767    648.88222    170.51909            0   -557.50585    513743.81   -514983.05    1172.8191     28670.55    320.57923   0.57095732 
-     900    19.530344     1153.213    1639.9317     220.1533   -486.71872    502.48114    643.51414    178.70544            0   -556.38218     513730.3   -514985.34   -511.40662    28697.799    314.13852   0.56091919 
-     920    19.954644    1114.1622    1615.9735    216.93702   -501.81127     514.7973    630.19712     179.3982            0   -549.54237    513714.55   -514991.21    -1422.316      28716.8    309.53594   0.58362776 
-     940    20.390261    1076.2212    1626.9734    218.41371   -550.75226    512.58732    621.31396    171.70796            0   -553.00677    513686.03   -514989.39    298.59388    28723.942    311.66248   0.54203006 
-     960    20.813949    1040.0451    1613.5266    216.60854   -573.48149    511.51922    601.98585    170.02867            0   -546.21382    513682.83   -514993.63    795.90454    28731.424    309.06864   0.57947773 
-     980    21.252467    1005.5683    1568.0671    210.50581   -562.49882    514.83412    629.32638    175.23649            0   -544.55558    513654.63   -514991.97   -1246.8402    28741.467    300.36369   0.55676445 
-    1000    21.687328    973.43654    1565.2947    210.13362   -591.85814    505.31069    600.76156    165.13032            0   -554.93709    513685.33   -514993.45   -1299.6769    28742.033     299.8319   0.55747244 
-    1020    22.104826    942.30585    1571.1252    210.91634   -628.81931    506.25625    614.52982    152.39206            0   -569.20109    513660.58   -514993.37   -197.40138    28733.481    300.94692    0.5637722 
-    1040    22.524452    912.01118    1595.3373    214.16671   -683.32616    489.65166    569.71087    159.37841            0   -590.61264    513680.34    -514991.8     467.8096    28724.925    305.59134   0.55703469 
-    1060    22.949422    883.20635    1542.2363    207.03814   -659.02996    503.02658    589.43979    165.92415            0   -599.75711     513674.6   -514992.27   -2148.0784    28718.444    295.39616   0.59339691 
-    1080    23.371693    856.19688     1533.476    205.86212   -677.27914    507.92146    576.49892    168.14482            0   -578.48635     513634.3   -514985.66   -1762.3643    28699.157    293.71591   0.59543987 
-    1100    23.796874    831.36718    1484.0494    199.22681   -652.68218    514.09435    608.64804    163.13622            0   -567.49464    513613.56   -514984.63    33.441222     28670.69    284.23352   0.61219688 
-    1120    24.215957    808.52756    1520.8457    204.16656   -712.31817    513.70662    561.61909    163.36198            0   -559.46566    513591.68   -514983.22   -310.69178    28645.197    291.28494   0.61812087 
-    1140    24.641242    786.87445    1489.3947     199.9444   -702.52028    523.97711    584.65081    162.32286            0   -549.07998       513560   -514984.39    -1685.574    28620.442    285.24697   0.63849523 
-    1160    25.055568    766.64827    1508.2693    202.47822   -741.62101    514.35266    584.91055    152.45332            0     -535.165    513525.54   -514983.72   -1901.0493    28587.357    288.85135   0.67096559 
-    1180    25.482658    749.02928    1511.1172    202.86054   -762.08788    536.05747    571.22043    147.19144            0   -519.37083    513485.14   -514982.32    866.88063    28547.627    289.37844   0.71496578 
-    1200    25.894749    733.35099    1503.6268    201.85499   -770.27581    533.87098    589.37041    152.16808            0   -519.57804    513457.84   -514983.94    14.805399     28517.39    287.93411   0.73458768 
-    1220    26.325628    718.27504    1498.0867    201.11126   -779.81165    559.91487    564.18647    156.27378            0   -507.13199    513432.42   -514985.48   -1279.1075    28491.202    286.86673   0.74700594 
-    1240    26.738918     704.4507    1488.7649    199.85985   -784.31417    566.05166    579.79847    161.35046            0   -468.44357    513361.55   -514984.62     -53.3159    28461.135    285.06732   0.77592838 
-    1260    27.171522    693.03769    1494.1149    200.57807   -801.07721    573.62194     573.3094    158.43371            0   -453.27917    513333.62   -514986.78     977.9179    28434.863    286.07064   0.82794452 
-    1280    27.586875    683.35215    1479.0049    198.54962   -795.65277    580.54264    596.95031    153.53994            0   -437.44286    513297.62   -514986.86    808.24663    28418.774    283.16101   0.85830865 
-    1300    28.005456    675.21985    1490.3973      200.079    -815.1775    586.97926    575.85031    144.74048            0    -412.9591    513274.88   -514984.67   -448.16581     28409.96    285.30833    0.9437975 
-    1320    28.436763    668.22782    1489.1302    199.90889   -820.90236    576.19343    605.89694      140.779            0   -423.95547     513263.1   -514982.91   -40.766531    28400.261     285.0744   0.92283057 
-    1340    28.854671    662.60827    1506.0283    202.17738   -843.42002    580.70797     578.1842     144.8341            0   -430.96333    513260.37   -514976.56    977.60336    28392.015    288.27815    1.0060347 
-    1360    29.284718    658.23752    1527.6526    205.08035   -869.41511    577.91716    570.16602    152.14574            0   -451.11548    513260.04   -514978.56    374.82603    28390.744    292.41271     1.031412 
-    1380    29.707547    654.96847    1486.4979    199.55551   -831.52939    580.08595    585.05597    157.33942            0   -437.07207    513264.24   -514981.18   -245.84993    28392.431    284.49746    1.0915693 
-    1400    30.132399     652.9829    1510.7519    202.81151   -857.76902     568.8718    573.40304    151.53282            0   -426.40132    513257.71   -514982.89   -48.059208    28392.645    289.13172    1.1272637 
-    1420     30.56509    652.00089    1494.6519    200.65015   -842.65097    571.38637    600.46686    145.25854            0   -443.09809    513270.44    -514987.1    744.84418    28392.941    286.01743    1.1922923 
-    1440    30.993519    651.93656    1520.3356    204.09807   -868.39904    569.20772    591.53184    144.73613            0   -452.45231    513268.58      -514990    462.47894    28397.996    290.93612    1.2038241 
-    1460    31.413554     652.8797    1538.7905    206.57555   -885.91076      576.968     569.3361    144.29397            0   -461.95958       513278   -514992.55   -703.88926    28405.143    294.44272    1.2767432 
-    1480    31.854234    654.43984     1560.998    209.55681   -906.55813    573.32119    550.83703    151.55603            0   -471.87704     513285.3   -514995.69    -634.5939    28407.003     298.6883    1.3039308 
-    1500    32.258767    656.25668    1535.2085     206.0947   -878.95186     565.7821    581.34544    155.11099            0   -493.26681    513302.34   -514990.27    141.09795    28404.376    293.73526    1.3252685 
-    1520    32.667376    658.76245    1540.1255    206.75478   -881.36305    562.28162     566.2439    153.62339            0   -481.21787    513306.74   -514989.04    320.45957    28402.754    294.65144    1.3869014 
-    1540    33.067487    662.13708    1524.8473    204.70375   -862.71024    547.98628    591.76817    150.15973            0   -460.97843     513297.6   -514989.25   -130.86158     28403.27    291.71099     1.413931 
-    1560    33.480413    666.19858    1506.8716    202.29059   -840.67298    559.57219    594.04584    156.75269            0   -475.69342    513317.61   -514992.96    -357.4244    28402.761    288.27566    1.3890257 
-    1580    33.881172    670.71346    1535.3958    206.11984   -864.68236    562.04024    577.64202    164.82634            0   -495.24757    513322.21   -514996.15    278.58466    28400.233    293.74325    1.3903967 
-    1600    34.282713    676.13061     1559.338    209.33397   -883.20743    570.25038    568.59163    172.20015            0    -497.5923    513299.59   -514996.24   -86.394917    28399.201    298.31271    1.4378209 
-    1620    34.693053    681.80099    1552.6868    208.44108   -870.88582    572.69475     589.3952    176.11924            0   -485.89655    513274.18   -514997.38   -1204.2981    28396.883    297.01677    1.4865321 
-    1640    35.094327    687.72244    1565.9114    210.21642     -878.189    578.48421    587.25138    174.28163            0     -490.691    513265.29    -514992.8   -581.44816    28387.006    299.57429    1.4344443 
-    1660     35.50466    693.90688    1558.2867    209.19283   -864.37979    583.51938    605.39763    171.58103            0   -488.26355    513255.15   -514991.76    341.26177    28374.079    298.09208    1.4823162 
-    1680    35.905614    699.81947    1608.5571     215.9414   -908.73759    585.45342    590.42357    171.65094            0   -478.75081    513211.28    -514988.8    77.131096    28364.346    307.75695    1.4172031 
-    1700    36.320681    705.27021     1587.164    213.06948   -881.89376    609.44479     581.8672     172.3033            0   -457.17018    513197.71   -514986.05   -666.39751    28355.734     303.6806    1.3594258 
-    1720    36.728727    710.00906    1608.1379    215.88513   -898.12885    612.49125    598.01777    167.03198            0   -445.09105    513154.85   -514985.42   -87.720392    28343.913    307.66062     1.454487 
-    1740    37.130271    714.53567    1580.0753    212.11786   -865.53967    624.57295    619.34825    165.15138            0   -426.77348    513138.14   -514985.98    1176.8164    28333.357    302.31339    1.3787996 
-    1760    37.542675    718.03805    1624.8218    218.12487   -906.78379    608.77029    596.31671     153.7484            0   -409.62158    513134.59   -514990.59     800.3654    28331.535    310.89569    1.3688034 
-    1780    37.943518    720.37511    1609.0275    216.00455   -888.65236    640.15257    613.63079    151.83793            0   -394.53333    513087.34   -514987.08   -257.84624    28335.192    307.88341    1.3325434 
-    1800    38.353172     721.7956     1606.901    215.71908    -885.1054    621.86791    602.54827    163.37359            0    -396.5738    513111.86   -514988.19    600.83028    28337.874    307.50221    1.2708112 
-    1820    38.755103     722.6791    1563.6639     209.9147   -840.98481    658.28036    609.55302    175.97253            0   -386.62661    513087.76   -514985.92    1673.6509    28345.014    299.23272    1.2261086 
-    1840    39.156883    723.36526    1560.0643    209.43147   -836.69905    621.56238     639.2919    183.25684            0   -391.12333     513097.3   -514986.98    948.98786    28362.795    298.55837    1.1894608 
-    1860    39.568864    724.34062    1560.3485    209.46963   -836.00792    648.95076    621.00344    183.45409            0   -412.61997    513112.89   -514989.69   -494.41519    28385.176    298.60946    1.1973936 
-    1880     39.96934    725.55016    1589.2514    213.34971   -863.70126     617.1181    598.13412    185.78351            0   -430.81566    513151.32   -514985.25    301.61577    28403.364     304.1812    1.1250834 
-    1900    40.379241     726.4494    1555.4145    208.80726   -828.96513    616.25066    631.90687    175.77829            0   -439.44651     513173.5   -514986.96    1079.4893    28422.072    297.69125    1.1328664 
-    1920    40.778163      727.328    1577.4105    211.76012   -850.08251    606.30559    616.55697    170.46944            0   -442.17245    513181.84   -514983.08    4.4471417    28445.679    301.93699     1.065083 
-    1940    41.186491    728.19228    1574.1105     211.3171   -845.91818    625.03022    624.89302    167.86917            0   -451.74938    513172.29   -514984.25   -891.08022     28467.03     301.3211     1.026012 
-    1960     41.58233    728.61768    1624.4163    218.07043   -895.79862    599.93561    599.92993    167.38843            0   -465.99755    513188.14    -514985.2   -216.32489    28480.762    310.97645   0.99894847 
-    1980    41.996931    727.92162    1627.8345    218.52931   -899.91293    612.92861    601.82319    165.16403            0   -447.59836    513151.59   -514983.82    865.41931    28491.981    311.64212   0.97473559 
-    2000    42.398021    726.10625    1615.3704    216.85607   -889.26418    609.59944    604.55036    169.50136            0   -443.24252    513152.61   -514982.28   -436.06261    28506.736     309.2898   0.88821892 
-Loop time of 42.3981 on 4 procs for 2000 steps with 3000 atoms
-
-Pair  time (%) = 14.495 (34.1878)
-Bond  time (%) = 2.06082 (4.86065)
-Kspce time (%) = 7.76109 (18.3053)
-Neigh time (%) = 0.634993 (1.49769)
-Comm  time (%) = 1.07386 (2.53281)
-Outpt time (%) = 0.0100121 (0.0236145)
-Other time (%) = 16.3623 (38.5921)
-
-Nlocal:    750 ave 774 max 711 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    5796.5 ave 5864 max 5731 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-Neighs:    165579 ave 169096 max 157793 min
-Histogram: 1 0 0 0 0 0 0 0 1 2
-
-Total # of neighbors = 662315
-Ave neighs/atom = 220.772
-Ave special neighs/atom = 10.5
-Neighbor list builds = 63
-Dangerous builds = 0
diff --git a/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1 b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1
new file mode 100644
index 0000000000..f68de51a79
--- /dev/null
+++ b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.1
@@ -0,0 +1,246 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style lj/cut/coul/long 12.0 12.0
+kspace_style pppm 1.0e-3
+
+comm_modify vel yes
+read_data data.swm4-ndp
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2500 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  2000 bonds
+  reading angles ...
+  500 angles
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  3 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+pair_coeff    1    1      0.210939     3.183950  # ODw ODw
+pair_coeff    *   2*      0.000000     0.0
+
+group ATOMS type 1:3
+2000 atoms in group ATOMS
+group CORES type 1
+500 atoms in group CORES
+group DRUDES type 4
+500 atoms in group DRUDES
+
+variable TK equal 300.0
+variable TDK equal 1.0
+variable PBAR equal 1.0
+
+neighbor 2.0 bin
+
+timestep 1.0
+
+fix DRUDE all drude C N N D
+
+velocity ATOMS create ${TK} 12345
+velocity ATOMS create 300 12345
+velocity DRUDES create ${TDK} 12345
+velocity DRUDES create 1 12345
+
+delete_bonds ATOMS multi
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 3375 1000
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 4
+New max number of 1-2 to 1-4 neighbors: 4 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  2000 total bonds, 500 turned on, 1500 turned off
+  500 total angles, 0 turned on, 500 turned off
+  0 total dihedrals, 0 turned on, 0 turned off
+  0 total impropers, 0 turned on, 0 turned off
+
+fix TEMP all langevin/drude ${TK} 100. 1256 ${TDK} 20. 13977 zero yes
+fix TEMP all langevin/drude 300 100. 1256 ${TDK} 20. 13977 zero yes
+fix TEMP all langevin/drude 300 100. 1256 1 20. 13977 zero yes
+fix NPH ATOMS rigid/nph/small molecule iso ${PBAR} ${PBAR} 500.
+fix NPH ATOMS rigid/nph/small molecule iso 1 ${PBAR} 500.
+fix NPH ATOMS rigid/nph/small molecule iso 1 1 500.
+500 rigid bodies with 2000 atoms
+  0.832099 = max distance from body owner to body atom
+fix NVE DRUDES nve
+
+compute TEMP all temp/drude
+
+thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
+thermo 20
+
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 3375 1000
+Per MPI rank memory allocation (min/avg/max) = 36.15 | 36.15 | 36.15 Mbytes
+Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp c_TEMP[1] c_TEMP[2] 
+       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
+      20    1.2941742    2882.4586    4527.8074   -1645.3488    561.72856            0    600.34616    155114.77   -157922.19    27167.701    14058.741    1013.3326    1438.6699    160.63128 
+      40    2.6812835    1331.3822    3348.9313   -2017.5492    681.52311            0    553.09465    154668.62   -157920.79    17925.928    14484.215     749.4977    1105.2032    36.587791 
+      60    4.0337768    297.35951    2604.4137   -2307.0542    583.99973            0    409.03992    154634.74   -157934.83    13017.752    15026.564    582.87312    864.55899    18.335647 
+      80    5.3483341   -374.31059    2263.3247   -2637.6353    534.80336            0    212.27979    154543.18    -157927.9    6155.9233    15645.855    506.53672    755.45209    7.6929097 
+     100    6.6217718   -905.58895    1911.7191    -2817.308    532.30402            0    87.570164    154497.48   -157934.66    2149.3102    16288.797    427.84665    639.27768    4.1289095 
+     120    7.8588221   -1233.6892    1675.0884   -2908.7776    544.76423            0    59.500422    154422.72   -157935.76    233.49801    16915.818    374.88821    560.54178    2.8313109 
+     140    8.9570706   -1463.4914    1468.7447   -2932.2361    539.69696            0    41.083518    154424.91   -157937.93   -1492.9875    17509.345    328.70809    491.66367    2.1395091 
+     160    10.032995   -1695.7544    1385.9606   -3081.7149     552.9156            0    30.022825    154274.72   -157939.37   -3010.5044    18061.925    310.18082     463.9681    1.9858861 
+     180    11.181687   -1818.1852    1253.1677   -3071.3529    559.57415            0    20.017285    154289.69   -157940.63   -3354.2207    18564.877     280.4615     419.5755    1.6725842 
+     200    12.212811   -1949.6488    1210.0648   -3159.7136     570.0554            0    16.320167    154195.04   -157941.13    -4117.951    19014.456    270.81499    405.06855    1.7662371 
+     220    13.224296   -2031.6068    1148.1459   -3179.7527    598.02848            0    30.832907    154127.13   -157935.75   -4514.6121    19406.767    256.95741    384.33718    1.6839577 
+     240    14.315843   -2118.6272    1120.0031   -3238.6303    613.29235            0    59.889003     154030.6   -157942.41   -4415.1885     19738.97      250.659    374.93927    1.5971322 
+     260    15.300218   -2203.4151    1065.8468   -3269.2619    614.19212            0    77.618884    153980.71   -157941.79   -4563.8872    20011.077    238.53871    356.80712    1.5248251 
+     280    16.273073   -2317.9388    1033.2702   -3351.2091    650.51355            0    126.14935    153811.62   -157939.49   -4722.8063    20224.149      231.248    345.84878    1.5839508 
+     300    17.240341   -2377.6039    992.48386   -3370.0878    688.02302            0     179.7828     153701.2    -157939.1   -4125.8573    20378.438    222.11992    332.08746    1.7406198 
+     320     18.20275   -2419.6151    1023.0261   -3442.6412    720.31006            0     227.7006    153549.39   -157940.04    -4083.286     20479.24    228.95535    342.33558    1.7369708 
+     340    19.161978   -2456.7614     1048.823   -3505.5844    754.12989            0    264.46876    153415.73   -157939.91   -3894.4573     20529.72    234.72874    351.04481    1.6271431 
+     360      20.2149   -2504.7183    1041.9917     -3546.71    785.42914            0    335.38633     153271.5   -157939.03   -3464.0342    20531.324    233.19988    348.66948    1.7942822 
+     380     21.17402   -2596.3611    1000.1227   -3596.4839     825.3161            0    390.15783    153129.43   -157941.39   -3357.8641    20490.649    223.82952    334.61582    1.8092697 
+     400    22.139238   -2666.6886    1006.4834    -3673.172    866.01231            0    422.49717    152978.53   -157940.22   -3329.7321    20411.001    225.25305    336.79329    1.7220591 
+     420    23.107117   -2676.0182    1036.9614   -3712.9796    909.17035            0    490.73558       152826   -157938.88   -2909.4385    20294.307    232.07409    346.93054    1.8970578 
+     440    24.079176   -2731.6451    1054.3541   -3785.9992    935.99044            0    530.99271    152684.71   -157937.69   -2566.5271    20147.069    235.96661    352.81301    1.8018782 
+     460    25.058476   -2808.7306    996.20963   -3804.9403    986.66566            0     582.2501    152565.84    -157939.7   -2490.6211    19973.642    222.95376    333.32458    1.7662208 
+     480    26.045001   -2862.5602    1012.8284   -3875.3886    1005.2147            0     610.1273    152450.46   -157941.19   -2032.2463    19777.578    226.67307    338.84478     1.876307 
+     500    27.043275   -2935.1165    989.42859   -3924.5451    1019.8833            0    633.91479    152362.53   -157940.87   -2210.2423    19561.788    221.43615     331.0551    1.7553824 
+     520    28.052607   -2989.5984    969.48801   -3959.0864     1057.825            0    655.88112    152268.64   -157941.44    -2303.725    19328.454    216.97341    324.39473    1.6968168 
+     540    29.169729   -3036.3745    1016.2059   -4052.5804    1091.3747            0    658.52433    152140.18   -157942.65   -2235.4034     19080.73    227.42896    340.04854    1.7349328 
+     560    30.202366   -3093.8922    946.57093   -4040.4631    1140.9835            0    764.01213    151997.25   -157942.71   -1159.9486    18819.788    211.84452    316.62558      1.85871 
+     580    31.245469   -3165.5156    988.32907   -4153.8446    1198.6661            0    795.79314    151795.81   -157944.12   -1299.7687    18555.467    221.19007    330.67963    1.7685771 
+     600    32.305233   -3193.4945    981.48315   -4174.9776    1207.1636            0    842.25251    151717.63   -157942.02   -845.49527    18290.083    219.65794    328.37122    1.7920774 
+     620    33.378728   -3254.0556    966.92094   -4220.9766    1219.0239            0    848.81235    151653.93   -157942.75   -633.10425     18027.72    216.39889     323.4395    1.8848743 
+     640    34.465769   -3267.9659    1003.5996   -4271.5655     1273.644            0    929.19275    151468.58   -157942.99    146.55456    17770.457    224.60765    335.70351    1.9667214 
+     660    35.565967   -3292.3649    1001.1012   -4293.4661    1299.7838            0    957.48532    151393.06   -157943.79    252.79622    17523.772     224.0485    334.86273    1.9719336 
+     680    36.678817   -3311.7859    1008.4763   -4320.2622    1356.4829            0    987.54908    151279.12   -157943.41    715.95691     17290.15    225.69907    337.35795    1.9299071 
+     700    37.804361   -3384.7539    970.95734   -4355.7113    1376.9176            0     1003.218    151209.28   -157945.12    602.03837    17070.444    217.30224    324.76399    1.9441468 
+     720    38.944631    -3389.983    1003.4282   -4393.4112    1388.0708            0     1009.042    151153.78   -157944.31    799.15462    16864.409     224.5693    335.74485    1.7690575 
+     740    40.095444   -3390.8892    1011.8969    -4402.786    1395.7801            0    1060.0508    151084.65   -157943.27    1475.2637    16672.377     226.4646    338.45322     2.034426 
+     760    41.257411   -3430.7027    1037.7609   -4468.4636    1415.8714            0    1069.0374    150989.87   -157943.24    1304.5866    16496.661    232.25301    347.18143    1.9316673 
+     780    42.432308    -3457.167    1031.0329   -4488.1999    1428.7433            0    1114.4772    150912.91   -157944.33    1885.5157    16338.236    230.74728    344.90463    1.9710957 
+     800    43.614638   -3510.8663     985.5619   -4496.4282     1454.853            0    1136.1159    150858.74   -157946.14    1646.2494    16199.542    220.57078    329.56096    2.1492639 
+     820    44.806214   -3561.3122     954.7588    -4516.071    1480.1009            0    1122.7071    150826.81   -157945.69    1635.0446     16080.49    213.67698    319.29136    2.0208705 
+     840    46.008772   -3574.3488    957.87693   -4532.2258    1470.2766            0    1075.5497    150865.51   -157943.56    1501.6257    15978.031    214.37482    320.32468    2.0463654 
+     860    47.215247    -3579.685    964.25763   -4543.9426    1434.0326            0    1038.1021    150929.67   -157945.75    1011.7367     15888.91    215.80284    322.50392    1.9690629 
+     880    48.426587   -3621.2356    959.70408   -4580.9397    1439.8947            0    1036.0768    150886.22   -157943.13    506.78826    15810.176    214.78374     320.9264    2.0688639 
+     900    49.644699   -3666.1303     946.8746   -4613.0049    1466.4484            0    1064.2478    150801.81   -157945.51    1109.1589    15739.244    211.91248    316.66479    1.9840376 
+     920    50.870043   -3689.2489    931.40538   -4620.6543    1504.5475            0    1112.6525    150708.42   -157946.28    1403.0057    15677.776    208.45044     311.4521    2.0302083 
+     940     52.10243   -3721.3501    909.43101   -4630.7811    1542.2534            0     1138.863    150634.25   -157946.14    1347.0651    15627.828    203.53253    304.13886    1.9127999 
+     960    53.227722   -3765.0247    879.73583   -4644.7606    1542.4842            0    1151.7551    150607.39   -157946.39    1704.8479     15589.06    196.88668    294.16244    1.9413966 
+     980    54.463265    -3768.795    907.84469   -4676.6397    1541.4855            0     1133.986    150593.62   -157945.73    1307.1066    15561.731     203.1775    303.56604    1.9940794 
+    1000    55.701727   -3785.8075    880.81809   -4666.6256    1521.7209            0    1096.2695    150662.35   -157946.97    970.21043    15543.592     197.1289    294.56486    1.8627129 
+    1020    56.889708   -3802.4725    921.96298   -4724.4355    1530.0248            0    1066.8927    150623.76   -157945.11    4.0693062    15531.676    206.33721    308.27171    2.0555342 
+    1040    58.073551   -3805.5983    892.97259   -4698.5709    1517.1505            0     1090.904    150638.66   -157945.28    814.78747    15522.075     199.8491    298.65131    1.8449766 
+    1060    59.268992   -3814.9754    904.37152   -4719.3469    1516.0462            0    1073.1076    150635.42   -157943.93    352.09813     15517.26     202.4002    302.40986    1.9760806 
+    1080    60.368197   -3799.7772    900.93602   -4700.7132    1525.3102            0    1076.0639    150645.06   -157947.15    399.96911    15516.854    201.63133    301.25571    1.9793146 
+    1100     61.57456   -3802.9637    891.80847   -4694.7721    1493.3846            0     1048.571    150708.35   -157945.08    296.41566    15520.259    199.58857    298.21614    1.9342423 
+    1120    62.780309   -3783.7153    915.24553   -4698.9609    1504.5486            0    1057.5171    150684.14   -157945.17    489.89871    15526.377    204.83383    306.05465    1.9825112 
+    1140    63.986179   -3799.4039    915.28328   -4714.6872     1498.182            0    1037.3595    150696.49   -157946.72   -57.392244    15535.825    204.84228    306.06136    1.9944283 
+    1160    65.193113   -3821.1813    889.41687   -4710.5981    1485.5696            0     1035.222    150714.63   -157946.02   -132.88199    15546.599    199.05332    297.34747    2.0669157 
+    1180    66.295017   -3815.3668    883.81796   -4699.1847    1475.1971            0    1029.0735    150742.62   -157946.07   -12.015088    15557.826    197.80027    295.60821    1.7888039 
+    1200    67.501339   -3799.2243    924.83203   -4724.0563    1503.6728            0    1039.8081    150676.17   -157943.71   -279.42673    15568.706    206.97931    309.25452    2.0149166 
+    1220     68.70749   -3793.2571    918.16669   -4711.4238    1500.7028            0    1072.1543    150660.33   -157944.61    396.95956    15579.039    205.48759    307.10011    1.8515828 
+    1240    69.913097   -3807.1761    903.62796    -4710.804    1518.0566            0     1098.727    150617.61   -157945.19    571.77344     15592.05    202.23379    302.09539    2.1061249 
+    1260    71.120192   -3813.0785    928.88909   -4741.9676    1522.8082            0    1080.2068    150602.14   -157947.12    143.45803    15608.285    207.88729    310.67334    1.8994019 
+    1280    72.221799   -3825.0477    896.43989   -4721.4876    1498.3409            0    1057.1098    150667.73   -157944.67   -469.23041    15626.738    200.62509    299.78768    1.8986521 
+    1300    73.424948   -3846.2307    907.67631    -4753.907    1477.8354            0    1013.4733    150700.69    -157945.9   -661.19665    15644.394    203.13982    303.56549    1.8822105 
+    1320    74.627469    -3829.941    882.93628   -4712.8773    1476.7417            0    1016.2042    150741.02   -157946.85   -14.196904    15658.043    197.60295    295.24326    1.9271172 
+    1340    75.833837   -3851.5034    857.32804   -4708.8314    1465.5881            0    1021.2072    150749.47    -157945.1   -96.242387    15669.364    191.87178     286.7037    1.8241831 
+    1360    76.936204   -3860.3024    888.18647   -4748.4888    1464.1796            0    984.93111     150747.8    -157945.4   -974.33424    15678.357    198.77795     297.0089    1.9185093 
+    1380    78.140865   -3836.5819    880.98802   -4717.5699    1461.9764            0    985.01748    150781.29   -157945.85    -872.9259    15682.263    197.16693    294.58145    1.9435476 
+    1400    79.344863   -3828.5386    906.27947   -4734.8181    1482.8705            0    991.46422    150736.59   -157945.74   -1233.9461    15680.599    202.82721     303.0834     1.909166 
+    1420    80.548134   -3814.3258    902.48807   -4716.8139    1475.6502            0    1014.0056    150738.18   -157944.65   -555.01708    15672.591    201.97868    301.83062    1.8708541 
+    1440    81.755274   -3856.0851    862.48793    -4718.573    1498.2382            0    1065.2356     150663.3   -157945.35     32.56482    15661.106    193.02657    288.38598    1.9216938 
+    1460    82.860741   -3844.5162    901.31045   -4745.8266    1509.4529            0    1079.4605    150610.73   -157945.47    187.59843    15650.274    201.71513    301.41292    1.9161214 
+    1480    84.068614   -3830.9341     924.4504   -4755.3845    1492.3743            0    1043.7244    150654.84   -157946.33   -493.49005    15640.167     206.8939    309.17217    1.9235617 
+    1500    85.277247   -3837.3277    905.31407   -4742.6418    1493.7224            0    1030.5512    150679.62   -157946.53   -614.09435    15628.452    202.61115    302.74791    1.9324006 
+    1520     86.48688   -3826.0085    909.05297   -4735.0615    1484.1418            0    1034.4558    150691.85   -157945.51   -146.17552    15614.976    203.44792    304.03751    1.8618391 
+    1540    87.592599   -3841.6696    938.60068   -4780.2703     1507.974            0    1041.0705    150616.87   -157946.18   -507.85898    15599.499    210.06076    313.85613    2.0498944 
+    1560    88.805017   -3826.9957    909.65333    -4736.649    1544.8227            0     1126.866     150538.2   -157946.54    606.26354    15581.816    203.58228    304.19548    1.9487298 
+    1580    90.020651   -3832.1768    912.93266   -4745.1095    1574.5895            0    1176.6062    150449.01   -157945.31    1282.9622    15569.746     204.3162    305.24469    2.0505914 
+    1600    91.237675   -3854.9438    913.45738   -4768.4012    1573.5937            0    1137.9072    150465.94   -157945.85     833.4472    15566.901    204.43364    305.43089    2.0302658 
+    1620    92.456385   -3858.2579    926.48289   -4784.7408    1547.7966            0    1104.6836    150506.72   -157943.94    175.66142    15569.538    207.34877    309.84283    1.9459647 
+    1640     93.67173   -3891.1815    918.17278   -4809.3543     1552.442            0    1100.5019     150484.4    -157946.7   -21.914006    15574.644    205.48895     307.0691    1.9176872 
+    1660    94.887992   -3919.3626    865.63387   -4784.9964    1520.4861            0    1071.2498    150569.18   -157945.91    76.169452    15580.674    193.73064    289.45503    1.8943961 
+    1680    96.104407   -3895.1048    904.57852   -4799.6834    1528.5992            0     1025.321    150591.92   -157945.52   -806.96969     15586.13    202.44653    302.49383    1.9470391 
+    1700    97.217725    -3867.858    892.51088   -4760.3689    1529.7738            0    1070.8486    150584.86   -157945.86    140.65618    15587.548    199.74577    298.38679    2.0642365 
+    1720    98.434344   -3893.3744    901.29331   -4794.6677    1574.0498            0    1116.4639    150460.62    -157945.8    58.347282    15588.502    201.71129    301.37785     1.974756 
+    1740    99.650283   -3863.7002    920.58199   -4784.2822    1591.6512            0    1158.7562    150411.66   -157946.35    690.62331    15590.533    206.02814    307.90557    1.8612258 
+    1760    100.86726   -3861.1571    936.31333   -4797.4705    1577.1868            0     1147.145    150425.93   -157947.74    479.33327    15596.819    209.54885    313.12745    1.9725316 
+    1780    102.08407   -3902.9055     937.9542   -4840.8597    1574.1479            0    1089.8436    150439.21   -157944.06   -423.26154    15606.503    209.91608    313.72161    1.8851726 
+    1800    103.30044   -3924.3367    882.83761   -4807.1743    1548.9296            0    1083.4742    150506.67   -157946.25   -165.30212    15613.782    197.58087    295.18333    1.9807824 
+    1820    104.51493    -3933.257    906.13467   -4839.3917    1566.2208            0    1066.4802     150474.1   -157946.19   -704.84936    15618.451     202.7948      303.015     1.948802 
+    1840    105.73189   -3925.7774    886.11608   -4811.8935    1541.3194            0    1071.3574    150522.01   -157946.58   -603.17056    15617.998     198.3146    296.30423    1.9386975 
+    1860    106.94721    -3888.206    921.52432   -4809.7304    1579.4857            0    1109.6812    150447.64   -157946.54     104.6013    15613.197    206.23903     308.2177    1.8692298 
+    1880    108.06014   -3916.0862    918.21234   -4834.2985    1583.1417            0    1094.2365    150433.88   -157945.56   -253.01422     15607.47    205.49781    306.96538    2.1516579 
+    1900    109.27602   -3899.0882    918.64022   -4817.7285    1556.1431            0    1115.1484    150457.92   -157946.94   -143.94816    15600.312    205.59357    307.17307    2.0233622 
+    1920    110.49415   -3920.9798     896.1905   -4817.1703    1548.5569            0    1085.0712    150496.68   -157947.48   -337.28194    15592.107    200.56927    299.64783    2.0110119 
+    1940    111.71421   -3968.3536    874.10309   -4842.4567    1572.4606            0    1094.9587    150436.32   -157946.19   -303.02321    15581.696    195.62607    292.28508    1.9167899 
+    1960    112.93472   -3934.8475     883.5952   -4818.4427    1591.4146            0    1141.0692     150394.9   -157945.83     393.7304    15568.475    197.75042    295.48636     1.883029 
+    1980    114.15483   -3907.4423    937.55746   -4844.9997     1643.691            0    1216.6376    150240.27   -157945.59    815.94743    15556.713    209.82728    313.50122    2.0597469 
+    2000    115.37626   -3925.4165    915.08958    -4840.506    1623.4406            0    1190.2236    150292.14   -157946.31    519.99833    15550.966    204.79893    305.95187     2.083444 
+Loop time of 115.376 on 1 procs for 2000 steps with 2500 atoms
+
+Performance: 1.498 ns/day, 16.024 hours/ns, 17.335 timesteps/s
+99.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 97.091     | 97.091     | 97.091     |   0.0 | 84.15
+Bond    | 0.031897   | 0.031897   | 0.031897   |   0.0 |  0.03
+Kspace  | 3.7648     | 3.7648     | 3.7648     |   0.0 |  3.26
+Neigh   | 10.041     | 10.041     | 10.041     |   0.0 |  8.70
+Comm    | 0.79701    | 0.79701    | 0.79701    |   0.0 |  0.69
+Output  | 0.0071344  | 0.0071344  | 0.0071344  |   0.0 |  0.01
+Modify  | 3.5966     | 3.5966     | 3.5966     |   0.0 |  3.12
+Other   |            | 0.0467     |            |       |  0.04
+
+Nlocal:    2500 ave 2500 max 2500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    21222 ave 21222 max 21222 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.30826e+06 ave 2.30826e+06 max 2.30826e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2308257
+Ave neighs/atom = 923.303
+Ave special neighs/atom = 4
+Neighbor list builds = 100
+Dangerous builds = 6
+
+Total wall time: 0:01:55
diff --git a/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4 b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4
new file mode 100644
index 0000000000..c6a45c4ab5
--- /dev/null
+++ b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.lang.g++.4
@@ -0,0 +1,246 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style lj/cut/coul/long 12.0 12.0
+kspace_style pppm 1.0e-3
+
+comm_modify vel yes
+read_data data.swm4-ndp
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2500 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  2000 bonds
+  reading angles ...
+  500 angles
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  3 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+pair_coeff    1    1      0.210939     3.183950  # ODw ODw
+pair_coeff    *   2*      0.000000     0.0
+
+group ATOMS type 1:3
+2000 atoms in group ATOMS
+group CORES type 1
+500 atoms in group CORES
+group DRUDES type 4
+500 atoms in group DRUDES
+
+variable TK equal 300.0
+variable TDK equal 1.0
+variable PBAR equal 1.0
+
+neighbor 2.0 bin
+
+timestep 1.0
+
+fix DRUDE all drude C N N D
+
+velocity ATOMS create ${TK} 12345
+velocity ATOMS create 300 12345
+velocity DRUDES create ${TDK} 12345
+velocity DRUDES create 1 12345
+
+delete_bonds ATOMS multi
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 1500 300
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 4
+New max number of 1-2 to 1-4 neighbors: 4 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  2000 total bonds, 500 turned on, 1500 turned off
+  500 total angles, 0 turned on, 500 turned off
+  0 total dihedrals, 0 turned on, 0 turned off
+  0 total impropers, 0 turned on, 0 turned off
+
+fix TEMP all langevin/drude ${TK} 100. 1256 ${TDK} 20. 13977 zero yes
+fix TEMP all langevin/drude 300 100. 1256 ${TDK} 20. 13977 zero yes
+fix TEMP all langevin/drude 300 100. 1256 1 20. 13977 zero yes
+fix NPH ATOMS rigid/nph/small molecule iso ${PBAR} ${PBAR} 500.
+fix NPH ATOMS rigid/nph/small molecule iso 1 ${PBAR} 500.
+fix NPH ATOMS rigid/nph/small molecule iso 1 1 500.
+500 rigid bodies with 2000 atoms
+  0.832099 = max distance from body owner to body atom
+fix NVE DRUDES nve
+
+compute TEMP all temp/drude
+
+thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
+thermo 20
+
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 1500 300
+Per MPI rank memory allocation (min/avg/max) = 18.29 | 18.3 | 18.3 Mbytes
+Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp c_TEMP[1] c_TEMP[2] 
+       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
+      20    0.3966074    2915.1579    4579.5774   -1664.4194    561.91893            0    600.76451    155095.13   -157922.23    27379.771    14058.574    1024.9188    1455.9194    160.86778 
+      40   0.81358027    1320.1722    3337.6372   -2017.4651    726.83344            0     585.5439    154587.28   -157917.12    18749.425    14485.651    746.97006    1101.4061    36.530914 
+      60    1.2173033    284.06793    2671.4324   -2387.3645    575.54155            0     387.8792    154580.74   -157931.53     12104.74    15031.425    597.87206    886.98502    18.450412 
+      80    1.6120358   -462.53073     2214.284   -2676.8148    560.36346            0    254.65244    154447.22   -157939.05    6285.2446    15651.216    495.56131    739.13811    7.4024414 
+     100    1.9901412    -965.1962    1839.8309   -2805.0271     544.5953            0    115.80813    154469.59   -157935.02    2361.9408     16295.72    411.75794    615.12768    4.1969771 
+     120    2.4076366   -1316.6354    1649.5851   -2966.2205    554.66642            0    50.928948    154365.49    -157937.3   -493.85718    16925.293    369.18054    552.03453    2.7331858 
+     140    2.7559175   -1590.9197     1440.667   -3031.5867    526.07695            0   -24.440541    154404.35   -157937.57   -2586.3198    17517.285    322.42423     482.1612    2.2975751 
+     160    3.1113834   -1742.3406    1326.8813   -3069.2219    539.49038            0   -43.846686     154369.1   -157933.96   -3549.2199    18059.707    296.95875    444.11027    2.0644718 
+     180    3.4379854    -1895.133    1224.1815   -3119.3145    555.27915            0   -18.261199    154275.94   -157932.27   -3762.2323    18545.519    273.97433    409.78407    1.8069068 
+     200     3.772357   -2004.4681    1176.8827   -3181.3508    565.04401            0   0.21397152    154190.38   -157936.99   -4346.6082    18973.343    263.38877    393.94854     1.740057 
+     220    4.0741081   -2094.1886     1098.386   -3192.5745    592.45711            0     36.50232    154113.36   -157934.89   -4135.0776    19341.735    245.82103    367.67719    1.6170754 
+     240    4.3758588   -2178.9977    1086.8337   -3265.8313    617.63759            0    96.837785    153957.25   -157937.56   -4121.8002      19651.8    243.23561    363.77451    1.6722528 
+     260    4.6875975   -2264.8204    1078.4367   -3343.2571    663.36053            0    167.77029    153763.13   -157937.51   -3799.2337    19907.053    241.35634    360.97449    1.6377088 
+     280    4.9870708   -2325.8017    1097.4329   -3423.2346    717.74153            0    235.01385    153562.93   -157938.92   -3696.4866    20111.415    245.60773    367.30986    1.7042226 
+     300    5.2866828   -2390.4714     1068.102   -3458.5734    751.64774            0    295.31519    153435.36    -157940.9   -3511.7651    20268.755    239.04342    357.49315    1.6658672 
+     320     5.587172   -2455.1882    1041.7365   -3496.9247    765.89806            0    331.14936       153345   -157938.97   -3020.2521    20383.476    233.14276    348.62201    1.7179837 
+     340    5.8844874   -2536.9586    1050.7417   -3587.7004    793.64691            0    352.69902    153205.76   -157939.81   -3447.4347    20457.614    235.15816    351.64191    1.7214644 
+     360    6.1785333   -2603.5522    966.91828   -3570.4705    819.14562            0    391.00832    153158.88   -157939.51   -3164.7275    20490.766     216.3983    323.52165    1.7255664 
+     380     6.475884   -2594.7716    1024.7965   -3619.5682    836.45788            0    434.31956    153047.12   -157937.46   -2902.8144    20485.924    229.35156    342.91613    1.7641391 
+     400    6.7656763   -2647.3629     982.4772   -3629.8401    864.60508            0    479.09794     152963.5   -157937.04   -2535.5559    20447.667    219.88041    328.70004    1.8030439 
+     420    7.0558476   -2687.5292    1023.0073   -3710.5365    928.03183            0    538.52272    152760.85   -157937.94   -2383.1875    20380.424    228.95113    342.29995    1.8044464 
+     440    7.3502834   -2765.1784      999.349   -3764.5274     966.2891            0    577.16135    152631.19   -157939.17   -2390.6308    20286.677    223.65636    334.36519     1.794568 
+     460    7.6480289   -2806.7277    1004.2012   -3810.9289    996.86402            0    599.42684    152532.82   -157940.04   -2476.2951    20168.787    224.74229     335.9677    1.8474231 
+     480    7.9473393   -2830.1149    1013.7084   -3843.8233    1009.5457            0    624.67244    152464.69   -157942.73   -2208.5836    20027.763    226.87003    339.15378    1.8588625 
+     500    8.2545588   -2849.2101    1033.8059    -3883.016    1018.8936            0    665.65423    152373.57   -157941.13   -1864.5049      19866.3    231.36788    345.90443    1.8323172 
+     520     8.591975    -2883.363    982.80834   -3866.1713    1046.7496            0    716.08257    152311.55   -157940.55   -1180.4653    19690.017    219.95452    328.79387    1.8393955 
+     540    8.9018662   -2922.4604    979.55307   -3902.0135     1068.293            0    739.88796    152230.57   -157940.76   -1048.6961     19504.92    219.22599     327.7909    1.6577051 
+     560    9.2518864   -2966.9519    973.53114   -3940.4831    1078.4149            0    742.20771     152177.5    -157938.6   -840.75895    19313.099    217.87827    325.70841    1.7798986 
+     580    9.5821679   -3053.0997    924.19412   -3977.2939    1102.7966            0    751.05657    152109.51   -157940.66   -919.12753    19115.431    206.83654    309.16882    1.7634757 
+     600    9.9095862   -3062.7056    960.18758   -4022.8932    1105.4131            0    725.33328    152088.02   -157941.66   -1565.9872    18911.303    214.89195    321.19255     1.860965 
+     620    10.237109   -3087.2168    1011.0151   -4098.2319    1138.4545            0    715.92859    151990.05   -157942.66   -1858.9668    18697.232    226.26725    338.29838     1.752463 
+     640    10.571446   -3104.3903    1013.9671   -4118.3574    1151.4213            0    771.17657    151902.66   -157943.62    -1042.667    18472.317    226.92791    339.23913    1.8477429 
+     660    10.904144   -3140.5527    1003.0482   -4143.6009    1209.2262            0    856.88154    151734.42   -157944.13   -209.63558    18243.884    224.48425    335.54573      1.90792 
+     680    11.269296    -3178.318    984.55406    -4162.872    1244.5687            0    912.27932    151624.96   -157944.68    342.27035    18019.714    220.34522    329.38006    1.8427138 
+     700     11.61204   -3220.4931    991.39835   -4211.8914    1287.1899            0    958.87881    151484.75   -157942.71    561.06968    17805.512    221.87699    331.61354    1.9544592 
+     720    11.956387   -3270.5677    968.72596   -4239.2937    1318.9328            0    1005.2488     151379.5   -157942.98    980.32825    17604.484    216.80286    324.06313    1.8724276 
+     740    12.307601   -3290.3786    992.65117   -4283.0298    1300.6067            0     994.6404    151364.88   -157943.15    981.03868     17418.67    222.15737    332.13302    1.7636245 
+     760    12.709807    -3328.535    955.47413   -4284.0092    1326.3889            0    996.60158    151337.63   -157944.63    1057.2942    17247.311    213.83707    319.58671    1.9099364 
+     780    13.073534   -3357.4814    992.18506   -4349.6664    1339.5541            0    988.34064    151267.55   -157945.11    569.82212    17090.619    222.05305    331.88822    1.9447924 
+     800    13.464632    -3375.243    920.44154   -4295.6846    1344.9357            0    1033.5805    151270.88   -157945.08    1522.7002    16947.373    205.99671     307.8875    1.8152213 
+     820    13.825511   -3384.8564    957.24296   -4342.0994    1353.9907            0    1040.4762    151209.02   -157945.59    1664.2884    16820.422    214.23294    320.13875    1.9919112 
+     840    14.161551    -3422.503     978.5056   -4401.0087    1362.0589            0    1015.2074    151166.38   -157944.65    799.30788    16709.133    218.99156    327.32752     1.887971 
+     860    14.533048   -3467.9469      967.207   -4435.1539    1359.5363            0    1012.6359    151135.59   -157942.92    781.21407    16610.402    216.46291    323.49791    1.9571626 
+     880     14.90632   -3453.3858    998.28194   -4451.6677     1357.904            0    965.66218    151167.88   -157943.11    327.66041    16521.416    223.41755    333.88219    2.0414314 
+     900    15.304111   -3462.8392    980.22919   -4443.0684    1356.3167            0    986.69144    151157.82    -157943.9    1027.2464    16438.193    219.37731    327.82432    2.0328217 
+     920    15.679265   -3447.1555    973.44396   -4420.5994    1360.7957            0    1016.6188    151146.99      -157945    1288.3873    16362.953    217.85876    325.51992    2.1081109 
+     940    16.057773   -3481.2586    989.56656   -4470.8252    1370.2709            0    978.71463    151124.98   -157944.79    462.51008    16297.794    221.46703    330.96437    2.0294765 
+     960    16.417333   -3513.0231    967.65653   -4480.6797    1332.0395            0    924.14851    151207.66   -157944.53    130.65949    16238.731    216.56352    323.68471    1.8694768 
+     980    16.809043   -3552.9742    930.52856   -4483.5028    1369.5671            0     943.1948    151148.51   -157944.78    162.05947    16182.544     208.2542    311.18346    1.9699974 
+    1000    17.204374   -3547.8316     928.6749   -4476.5065    1345.2729            0    939.82999    151183.66   -157945.27    165.47858    16127.801    207.83935     310.6291    1.8515304 
+    1020    17.596776    -3544.884    939.68436   -4484.5683    1339.8295            0    954.31534    151165.65   -157944.37    520.88879    16074.311    210.30329    314.30017    1.8816955 
+    1040    17.979123   -3574.7347    918.01852   -4492.7532    1348.2798            0    985.63357    151118.04   -157944.71    667.98123      16024.2    205.45443    307.00947    1.9378696 
+    1060    18.387169   -3558.0092    961.56557   -4519.5748    1357.9517            0    960.15956    151105.93   -157943.62    125.05193    15979.251    215.20035    321.61047    1.9569155 
+    1080    18.773684   -3578.9948    924.98329   -4503.9781     1328.198            0    963.29308    151149.83    -157945.3    446.98896    15936.835    207.01316    309.36635    1.8873208 
+    1100     19.16304   -3608.0441    897.53939   -4505.5835    1374.0861            0    1014.8258    151052.01    -157946.5     903.7649    15898.367    200.87116    300.13546    1.9333063 
+    1120    19.575293   -3614.8945    952.97919   -4567.8736    1384.5634            0    1021.0735     150973.5   -157947.01    900.30601    15866.787     213.2787    318.78179     1.850125 
+    1140    19.971095   -3618.8945    941.15802   -4560.0526    1413.1629            0    1052.0922     150920.8    -157946.1    946.48705    15842.856     210.6331    314.72329    2.0381081 
+    1160    20.367334   -3593.6555    965.54035   -4559.1959    1410.1926            0    1056.4577    150917.31   -157943.16    1255.7185    15827.388    216.08991    322.92339    1.9871263 
+    1180     20.80204   -3616.5746    928.17105   -4544.7457    1396.8419            0    1016.2295    150986.13   -157943.95    787.12503    15820.166    207.72659    310.40871    1.9519704 
+    1200    21.354242   -3640.0065     913.1866   -4553.1931     1389.564            0    1003.0365    150999.43   -157945.23     124.9066    15819.562    204.37304    305.34426    2.0128932 
+    1220    21.797356   -3633.6726    951.90864   -4585.5813    1378.6589            0    960.35277    151020.87   -157945.46    18.165228    15822.414    213.03911    318.39602    1.9062762 
+    1240    22.183053   -3647.5993    945.94087   -4593.5401    1389.2708            0    951.90886    151011.29   -157946.01   -36.466949    15826.558    211.70351    316.39869       1.8959 
+    1260    22.604321   -3652.8431    945.01497   -4597.8581    1429.1559            0    1004.3575    150913.05   -157944.42    362.05633    15830.563    211.49629     316.0745     1.946701 
+    1280     22.99465   -3653.7982    950.39456   -4604.1928    1435.3114            0    1049.5949    150856.36   -157945.46    625.62312    15836.724    212.70025    317.85889    1.9726129 
+    1300    23.381442   -3629.7936    957.73231   -4587.5259    1443.1612            0    1053.2561    150860.98   -157944.93    702.06174    15846.916    214.34246    320.25498    2.0929604 
+    1320     23.76752   -3646.7132    952.84473   -4599.5579    1452.1034            0      1053.24    150842.08   -157946.98    574.37181     15862.45    213.24861    318.70565    1.9106871 
+    1340    24.144538   -3671.1813    963.35534   -4634.5366    1444.4873            0    998.25657    150869.14   -157946.42   -322.65814    15883.001     215.6009    322.16079      2.04787 
+    1360    24.525885   -3706.8433    911.96869    -4618.812    1408.7597            0    994.56958    150923.67   -157945.81   -57.178556     15902.95    204.10046    304.98731    1.9206183 
+    1380    24.900833   -3729.8666    893.54172   -4623.4083    1421.5285            0    989.13168    150911.03    -157945.1    -299.2294    15921.536    199.97647    298.78606    1.9572022 
+    1400    25.273009   -3793.6665    896.59455    -4690.261    1407.5033            0    927.03218    150922.27   -157947.07   -1625.2355    15935.372     200.6597    299.82059    1.9326242 
+    1420    25.649713   -3798.9041    894.49834   -4693.4024    1387.2314            0    908.98338    150956.58    -157946.2   -1336.2681    15939.126    200.19057    299.08979      1.99336 
+    1440    26.019568   -3770.2203    926.96956   -4697.1899    1408.3234            0    930.94218    150909.09   -157945.54   -1479.4839     15931.76    207.45769    309.99863    1.9420101 
+    1460    26.391048    -3765.611     925.8388   -4691.4498    1453.7458            0    991.60997    150809.05   -157945.85   -840.19764    15915.083    207.20462    309.58977    2.0206113 
+    1480    26.764417   -3775.5533    897.45722   -4673.0106    1448.3682            0    1017.1514    150806.55   -157945.08   -350.56805     15893.71    200.85277    300.10571     1.945031 
+    1500     27.13281   -3774.5729    890.65309    -4665.226    1446.7764            0    1001.4176    150830.42   -157943.84   -410.46342    15870.464    199.32999    297.86004    1.8712264 
+    1520    27.500265    -3789.599    873.98319   -4663.5822    1442.1868            0    1012.8814    150826.03   -157944.68    24.399796    15844.317    195.59923    292.31265    1.7812003 
+    1540    27.868039   -3799.4214     879.9876    -4679.409    1470.7765            0    1043.5857     150751.8   -157945.57    -117.3494    15817.531    196.94303    294.27937    1.8764714 
+    1560    28.237804   -3808.5737    884.02221   -4692.5959    1476.2544            0     1031.065     150745.8   -157945.71   -134.38328    15790.497    197.84599    295.60533    1.9624808 
+    1580    28.614069   -3810.3826    881.02258   -4691.4052    1494.8044            0    1056.2914    150703.91   -157946.41    143.72796    15761.802    197.17466    294.61532    1.9194335 
+    1600     28.98594   -3811.3999    900.38301   -4711.7829    1484.7896            0    1008.1585    150740.82   -157945.55   -606.18902    15732.936    201.50757    301.08426     1.975131 
+    1620    29.390152   -3806.3652    923.83116   -4730.1964    1451.5712            0    974.75532    150788.99   -157945.52   -803.66402    15700.793    206.75531    308.94868    1.9548773 
+    1640    29.770757   -3780.4823    926.08598   -4706.5682    1473.3966            0    1001.2541    150764.99    -157946.2   -267.61953    15664.228    207.25994    309.69886    1.9804041 
+    1660    30.150359   -3781.8554    904.38999   -4686.2453    1480.8669            0    1044.4828    150733.32   -157944.92    334.93631    15626.039    202.40434    302.41882    1.9682532 
+    1680    30.535691   -3806.1604     913.1776    -4719.338    1495.1709            0    1047.1796    150684.96   -157946.64    187.42287    15589.003    204.37102    305.37701    1.9489831 
+    1700    30.914774   -3833.9683    889.78762    -4723.756    1506.0651            0    1085.1426     150631.7   -157946.67    484.91155    15553.147     199.1363    297.62268    1.7777001 
+    1720    31.295628   -3842.1369    894.05081   -4736.1877     1523.554            0    1111.0586    150574.13   -157944.93     644.7439    15520.678    200.09041    298.99568    1.8760829 
+    1740    31.688478   -3846.6021    868.65036   -4715.2525    1537.3591            0    1138.8056    150555.14   -157946.56    899.91638    15492.771    194.40573    290.47895    1.8712221 
+    1760    32.046871   -3857.9528    883.26637   -4741.2192     1542.993            0    1087.2616    150575.49   -157946.97    551.51344    15470.089    197.67683    295.29782    2.0345443 
+    1780    32.474213   -3871.4941    935.07928   -4806.5734    1526.7468            0    1036.0478    150576.57   -157945.93   -636.02229    15449.192    209.27266    312.71251    1.9801693 
+    1800     32.86394   -3840.4408      916.271   -4756.7118    1576.9326            0    1100.9058    150511.02   -157945.57    628.83596    15425.726    205.06333    306.41471    1.9480945 
+    1820      33.2544   -3863.8057    928.94676   -4792.7524    1566.8662            0     1091.867    150492.97   -157944.46    127.39479    15404.045    207.90019    310.61713    2.0438685 
+    1840    33.654639   -3866.4315    882.39729   -4748.8287    1571.1231            0    1116.2191    150510.49   -157946.66    775.21837    15384.034    197.48232    295.08631    1.8701078 
+    1860    34.049358   -3854.7362    943.50575   -4798.2419    1598.0765            0    1094.2606    150455.31   -157945.89   -185.76137    15367.771    211.15852    315.55119    1.9664963 
+    1880    34.452703   -3862.4907     910.1166   -4772.6073    1551.4788            0    1069.6982     150551.3   -157945.09    75.157314    15353.364    203.68596    304.30419    2.0643731 
+    1900    34.820253   -3879.6568    921.99593   -4801.6528    1541.8636            0    1071.1404    150530.01   -157944.67   -243.29034    15340.544    206.34458    308.28647    2.0409636 
+    1920     35.24159   -3914.6053    894.91511   -4809.5205    1545.6295            0    1087.8419    150502.25   -157945.24     585.4907    15327.629    200.28384    299.29163    1.8721306 
+    1940    35.641894   -3916.7204    893.69522   -4810.4157    1558.0228            0    1078.6893    150498.47    -157945.6   -213.58892    15315.774    200.01082    298.82901    1.9662798 
+    1960    36.036489   -3916.4155    889.43523   -4805.8507    1569.5342            0    1087.2216    150483.46   -157946.07    197.26075    15304.142    199.05743     297.4414     1.897782 
+    1980    36.439917   -3885.2222    890.76008   -4775.9823    1562.1737            0    1087.3549    150520.37   -157945.88    448.96019    15293.261    199.35393    297.81895    2.0239285 
+    2000    36.842032   -3890.9997    883.71903   -4774.7187    1561.3244            0    1092.1688    150517.76   -157945.97    292.74093    15284.861    197.77813    295.50959    1.9186189 
+Loop time of 36.8421 on 4 procs for 2000 steps with 2500 atoms
+
+Performance: 4.690 ns/day, 5.117 hours/ns, 54.286 timesteps/s
+97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 24.965     | 26.526     | 28.829     |  27.6 | 72.00
+Bond    | 0.011653   | 0.012315   | 0.013344   |   0.6 |  0.03
+Kspace  | 1.5367     | 3.8315     | 5.3771     |  72.2 | 10.40
+Neigh   | 2.6221     | 2.6225     | 2.6227     |   0.0 |  7.12
+Comm    | 1.2339     | 1.2536     | 1.2758     |   1.3 |  3.40
+Output  | 0.0057538  | 0.0073775  | 0.012186   |   3.2 |  0.02
+Modify  | 2.4848     | 2.5068     | 2.5296     |   1.2 |  6.80
+Other   |            | 0.08209    |            |       |  0.22
+
+Nlocal:    625 ave 639 max 613 min
+Histogram: 1 1 0 0 0 0 1 0 0 1
+Nghost:    13529.2 ave 13635 max 13449 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Neighs:    587190 ave 645917 max 526348 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+
+Total # of neighbors = 2348759
+Ave neighs/atom = 939.504
+Ave special neighs/atom = 4
+Neighbor list builds = 102
+Dangerous builds = 7
+
+Total wall time: 0:00:36
diff --git a/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1 b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1
new file mode 100644
index 0000000000..54fe5ecb01
--- /dev/null
+++ b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.1
@@ -0,0 +1,252 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style lj/cut/coul/long 12.0 12.0
+kspace_style pppm 1.0e-3
+
+read_data data.swm4-ndp
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  2500 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  2000 bonds
+  reading angles ...
+  500 angles
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  3 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+pair_coeff    1    1      0.210939     3.183950  # ODw ODw
+pair_coeff    *   2*      0.000000     0.0
+
+group ATOMS type 1:3
+2000 atoms in group ATOMS
+group CORES type 1
+500 atoms in group CORES
+group DRUDES type 4
+500 atoms in group DRUDES
+
+variable TK equal 300.0
+variable TDK equal 1.0
+variable PBAR equal 1.0
+
+neighbor 2.0 bin
+
+timestep 1.0
+
+fix DRUDE all drude C N N D
+
+velocity ATOMS create ${TK} 12345
+velocity ATOMS create 300 12345
+velocity DRUDES create ${TDK} 12345
+velocity DRUDES create 1 12345
+
+delete_bonds ATOMS multi
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 3375 1000
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 4
+New max number of 1-2 to 1-4 neighbors: 4 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  2000 total bonds, 500 turned on, 1500 turned off
+  500 total angles, 0 turned on, 500 turned off
+  0 total dihedrals, 0 turned on, 0 turned off
+  0 total impropers, 0 turned on, 0 turned off
+
+comm_modify vel yes
+compute TATOM ATOMS temp/com
+compute TEMP all temp/drude
+
+fix DTDIR all drude/transform/direct
+fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
+500 rigid bodies with 2000 atoms
+  0.832099 = max distance from body owner to body atom
+fix_modify RIGID temp TATOM press thermo_press
+WARNING: Temperature for fix modify is not for group all (src/RIGID/fix_rigid_nh_small.cpp:1338)
+fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
+fix NVT DRUDES nvt temp 1 ${TDK} 100.0
+fix NVT DRUDES nvt temp 1 1 100.0
+fix DTINV all drude/transform/inverse
+
+thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
+thermo 20
+
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 3375 1000
+Per MPI rank memory allocation (min/avg/max) = 36.15 | 36.15 | 36.15 Mbytes
+Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp c_TEMP[1] c_TEMP[2] 
+       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
+      20    1.3635511    3742.6843    5338.7884   -1596.1041    567.30749            0    662.23765    155098.37   -157924.01    31679.425    13979.574    1194.8318    1690.2246    201.65659 
+      40    2.8319206    2752.8326    4407.7651   -1654.9326    793.00136            0     870.3308    154593.76   -157912.03    27394.569     14278.56    986.46689    1450.7477    55.932383 
+      60    4.2769592    1995.5898     3982.037   -1986.4472    660.67727            0    750.60931    154536.67    -157934.4    22230.525    14691.401    891.18805    1315.7323    40.317105 
+      80    5.6864653    1376.4611    3451.5427   -2075.0816      617.739            0    606.36728    154625.69   -157924.88    17342.361    15201.343    772.46234    1147.1933    21.455572 
+     100    7.0593393    885.62035    3037.6307   -2152.0103    536.23281            0    448.92338    154793.05   -157930.22    13263.277    15783.251    679.82798    1011.6853    14.753602 
+     120    8.3966329    487.59021    2926.9825   -2439.3923    534.45241            0    332.92674    154624.58   -157931.35    8680.1218    16409.225    655.06468    977.01117    9.8615821 
+     140    9.6922171    159.94255    2531.0921   -2371.1495    507.26507            0    248.61566    154802.72   -157929.75    6400.0155    17052.819     566.4636    845.55884     7.140197 
+     160    10.950651   -100.91956    2408.1664   -2509.0859    490.99483            0    134.36058     154800.6   -157935.04    3836.9925    17698.151    538.95257     805.1915    5.3968131 
+     180    12.172047   -313.40678    2221.7371   -2535.1439    469.97826            0    75.806422    154853.24   -157934.17    1959.0003    18334.826    497.22932    743.13919    4.4151403 
+     200    13.369177   -490.93825    2067.2564   -2558.1946    455.16083            0    77.543554    154841.16   -157932.06    1193.4025    18956.449    462.65622    691.72198    3.5993868 
+     220    14.438093   -642.88359    1962.7222   -2605.6058    481.40176            0    64.823738    154779.31   -157931.14    258.47931    19559.018    439.26127    657.06568    2.7739198 
+     240    15.577558   -770.43472    1795.7362   -2566.1709    467.25739            0    68.825446    154830.01   -157932.26    19.605411    20139.418    401.88945    601.23804    2.3884997 
+     260    16.688265   -878.62151    1752.9509   -2631.5724    476.39236            0    71.926651    154747.16   -157927.05   -779.07206    20696.166    392.31402    587.06568    2.0260792 
+     280    17.682964   -971.81622    1649.6272   -2621.4434    473.84812            0    58.450385    154779.58   -157933.32   -1008.5258    21226.441    369.18995    552.55677    1.7179235 
+     300    18.755012   -1057.4737    1581.0153   -2638.4889    480.33302            0    92.047223    154721.85   -157932.72   -1272.4892    21728.979    353.83447    529.64527    1.5051853 
+     320    19.774572   -1132.8157    1506.8725   -2639.6882    477.53234            0    107.39639    154707.65   -157932.27   -1097.9626    22203.697    337.24116    504.84512    1.3587573 
+     340     20.69206    -1199.489    1494.9584   -2694.4474    479.87519            0    106.49874    154656.38    -157937.2   -1428.8049    22652.416    334.57476    500.90442    1.2462835 
+     360    21.652272   -1264.9018    1440.9759   -2705.8778    491.74088            0    107.21802    154624.72   -157929.55   -1585.5815    23073.033    322.49337    482.81675    1.2016239 
+     380    22.541014   -1323.4812    1376.8139    -2700.295    497.62389            0    130.73162    154602.95    -157931.6   -1822.4176     23465.34    308.13377    461.36583    1.0533711 
+     400    23.429899   -1373.4313    1375.7746   -2749.2059     504.5216            0    124.40122    154554.57    -157932.7   -2024.2519    23828.151    307.90118    461.05182   0.98409512 
+     420     24.30185   -1426.2004    1375.0825   -2801.2829     515.4234            0    141.95789    154473.92   -157932.58   -2211.7434    24159.844    307.74628    460.87881   0.86572884 
+     440    25.220268   -1475.8906    1324.8476   -2800.7382    535.08125            0    196.94504     154398.6   -157931.36   -1603.3424    24460.372    296.50361    443.98822   0.94139759 
+     460    26.069995   -1526.8146    1312.6512   -2839.4658    567.30401            0    263.15706    154263.01   -157932.94    -1446.573    24734.601    293.77403    439.95008   0.83440493 
+     480    26.912804   -1575.0902    1310.7022   -2885.7924    595.89933            0    312.71625    154137.37   -157931.78   -1115.9617    24986.067    293.33784    439.29118   0.84448526 
+     500    27.750046    -1625.867    1316.9545   -2942.8215    622.71944            0    334.05272    154029.75   -157929.34   -1178.3349    25218.467    294.73713    441.38984   0.84223525 
+     520    28.580007   -1677.8147    1275.1901   -2953.0048    636.81498            0    364.43482    153975.25   -157929.51   -1185.7191    25432.383    285.39015    427.42176   0.75616765 
+     540    29.461706   -1724.6335    1253.4762   -2978.1096    632.62875            0     336.7701    153984.65   -157932.16    -1475.652    25627.637    280.53054    420.14989   0.73078744 
+     560    30.284055   -1768.8039    1262.2867   -3031.0907    642.26972            0    309.98943    153946.77   -157930.12   -1811.8157    25800.729    282.50237    423.09732   0.74744177 
+     580    31.099254   -1811.2401    1227.9083   -3039.1484    678.22201            0    368.41929    153846.44   -157932.23   -1409.4088    25948.882    274.80841    411.53414   0.80732891 
+     600    31.912324   -1853.2774    1206.9943   -3060.2717    700.63403            0    436.68693    153737.89   -157935.48   -992.41608    26077.285    270.12781     404.5385   0.76616257 
+     620    32.720867    -1895.189    1204.3588   -3099.5478    691.72649            0    400.33253    153741.91   -157933.52   -1388.6703    26189.589    269.53797    403.65884   0.75715127 
+     640    33.582986   -1935.0173    1187.9183   -3122.9356    705.21393            0    424.23263    153679.52    -157931.9   -1350.2348    26282.622    265.85856    398.13366   0.77665339 
+     660    34.390937   -1971.7086    1162.7479   -3134.4565    702.26031            0    428.42789    153668.92   -157934.06   -1188.7971    26357.244    260.22536    389.70613   0.74337722 
+     680    35.194277   -2009.3204    1181.9615    -3191.282    730.54911            0    440.01944    153571.31   -157933.16   -1362.8153    26413.989    264.52542    396.12452   0.79816042 
+     700    35.997317   -2050.9709    1191.8391   -3242.8101    753.00327            0     467.6939    153468.36   -157931.87   -1482.0887    26451.007    266.73604    399.41272   0.84921753 
+     720    36.797657   -2089.4271    1150.0076   -3239.4347    754.31976            0    503.35736    153436.75   -157933.87    -1244.458    26468.888    257.37407    385.38778   0.83191363 
+     740    37.600469   -2125.3798    1154.3541   -3279.7339    774.13557            0    529.42004    153350.85   -157934.14   -1118.7575    26470.499    258.34683    386.83315   0.85749243 
+     760    38.401939   -2161.7135    1130.3511   -3292.0647    796.77441            0    536.43801    153307.45   -157932.73   -1175.0129    26456.703     252.9749    378.79415   0.83045948 
+     780    39.260591   -2198.2814    1150.3816   -3348.6631    831.65486            0    563.13944    153188.89   -157932.35    -1176.261    26427.139    257.45777    385.51594   0.82651674 
+     800    40.064371   -2234.1521    1110.6647   -3344.8168    855.23508            0    601.01417    153131.92   -157932.98   -862.30786    26382.746    248.56904    372.17004   0.86990233 
+     820    40.870016   -2267.8439    1102.4715   -3370.3153    860.65298            0    594.70187    153108.56   -157934.23   -1010.8125    26326.235    246.73537    369.40044   0.91177598 
+     840    41.681368   -2299.1566    1078.3708   -3377.5273    859.59901            0    593.35932    153101.25   -157931.73   -865.53535    26257.386    241.34159    361.33643   0.86924241 
+     860    42.495518   -2331.8875     1107.384   -3439.2715    881.30207            0    614.64915    152998.03   -157933.26   -1071.9258     26177.36    247.83481    371.04249   0.92379597 
+     880     43.30765   -2362.8811    1111.5783   -3474.4594    878.94272            0    592.04533    152990.05    -157935.5   -1381.2745    26084.115    248.77351    372.40018    1.0226212 
+     900    44.121972   -2394.8169     1068.126   -3462.9429    875.67985            0    600.20259    152996.32   -157935.15   -1082.6484    25975.468     239.0488    357.84385   0.98060155 
+     920    44.942671   -2427.7497    1051.3836   -3479.1333    900.00235            0    630.10877    152926.67   -157935.91   -1219.7107    25853.048    235.30182    352.19248     1.049881 
+     940    45.823624    -2454.734    1033.0018   -3487.7359    898.98611            0    622.98212    152924.56   -157934.26   -1017.3685    25716.622    231.18793    346.03843    1.0245683 
+     960    46.651637   -2482.3376    1051.4989   -3533.8365    882.79039            0     607.4772    152907.91   -157932.02   -1287.7224    25567.669    235.32761    352.20104    1.1100984 
+     980    47.483709   -2510.9021    1063.1436   -3574.0457    917.45654            0    628.78148    152815.06   -157935.34   -1318.0782    25404.812    237.93373    356.07751    1.1703057 
+    1000      48.3218   -2539.3123    1076.5262   -3615.8385    929.24497            0     620.5376    152770.95   -157936.57   -1437.1421     25228.96    240.92878     360.5539    1.1966823 
+    1020    49.120018   -2568.5635    1047.1393   -3615.7027    927.28535            0    622.11842     152769.9      -157935   -1455.4685    25039.532    234.35192    350.71529    1.1564745 
+    1040     49.90245   -2600.2331    1062.6806   -3662.9136    955.48542            0    644.04662    152672.56   -157935.01   -1384.5306    24836.175    237.83009    355.87178    1.2710552 
+    1060     50.69897   -2630.1462    1061.5152   -3691.6614    986.58819            0    682.07977    152579.13   -157939.46   -1344.1472    24620.038    237.56929     355.4358    1.3611209 
+    1080    51.503865   -2659.3124    1028.5625   -3687.8749    1013.1448            0    748.60853    152486.11   -157935.74   -632.77731    24393.781     230.1944     344.4159    1.2910154 
+    1100    52.317019   -2686.7631    1046.6402   -3733.4033    1010.8277            0    734.27617    152460.31   -157938.82   -853.90087    24163.398    234.24022    350.47672    1.2987412 
+    1120    53.191877   -2717.3602    1100.2788    -3817.639    1053.1519            0    729.94563     152339.1   -157939.84   -1341.3046    23928.078    246.24466    368.47141    1.2986799 
+    1140    54.021756   -2749.0229    1075.5657   -3824.5886    1053.2247            0     772.2959    152288.35   -157938.46    -589.3316    23686.107    240.71381    360.21003    1.2399432 
+    1160    54.861993   -2781.7214    1067.9567   -3849.6781    1074.5488            0    806.08569    152208.08   -157938.39   -831.19568    23442.775     239.0109     357.6544    1.2458686 
+    1180    55.710942    -2810.148    1089.8079   -3899.9559    1109.6809            0    845.87985    152083.25   -157938.76   -222.17835    23198.413    243.90125    365.01942    1.1770946 
+    1200     56.57052   -2842.1991     1074.027   -3916.2261    1125.4801            0     878.8665    152014.69   -157935.26   -448.25353    22957.682    240.36945     359.7275    1.1726032 
+    1220    57.436566   -2870.9683    1065.5007    -3936.469    1121.3024            0    895.48147    151984.11   -157937.36    -49.04933    22721.016    238.46125    356.86483    1.1771853 
+    1240     58.31029   -2898.6134    1082.9239   -3981.5374    1156.8878            0    872.68215    151926.15   -157937.26   -519.72203      22490.6     242.3606    362.72866     1.139753 
+    1260    59.192157   -2928.7913    1040.5848   -3969.3761    1145.0651            0    909.81511    151912.71   -157936.97   -29.590267    22264.147    232.88502    348.55509    1.0791106 
+    1280    60.142411   -2955.6846    1022.8912   -3978.5758     1140.672            0    883.63602    151933.74   -157936.62   -175.91605    22043.467    228.92516    342.58962    1.1383994 
+    1300     61.07528   -2981.9373    1075.9497    -4057.887    1158.7075            0    849.86519    151871.92   -157938.38    -934.6555     21827.24    240.79975    360.40764    1.1023778 
+    1320    62.024172   -3008.7547    1034.6665   -4043.4212    1150.8314            0    884.82764    151858.67   -157937.75   -365.70526    21611.763    231.56049    346.60301    1.0123134 
+    1340    62.982555   -3034.4981    1059.0543   -4093.5524    1167.4937            0    873.78686     151802.9   -157937.73   -607.20768    21399.603    237.01853    354.83546   0.91062335 
+    1360    63.941291   -3061.6404     1086.842   -4148.4824    1203.2944            0    877.27308    151711.62   -157940.67   -877.19102    21189.111    243.23747    364.15541   0.91512372 
+    1380     64.90951   -3092.7485    1046.5902   -4139.3388    1239.0597            0    915.00432     151646.1   -157939.51   -519.03533    20978.348    234.22904    350.66459    0.8894947 
+    1400    65.889121    -3121.488    1051.0689   -4172.5569    1298.7247            0    989.25234    151480.54   -157941.07   -54.596483    20769.447    235.23138    352.15827   0.90714599 
+    1420    66.880954   -3149.3299    1046.1867   -4195.5166    1316.5513            0    1013.5453    151416.57   -157942.18   -12.199056    20566.196    234.13872    350.49775   0.95239313 
+    1440    67.876446   -3172.8201    1046.5913   -4219.4114    1319.1146            0    989.68846    151410.33   -157938.54   -145.84664    20369.571    234.22928    350.68677   0.84585946 
+    1460     68.88107   -3200.8425    1052.2514   -4253.0939    1296.3997            0    914.27128    151478.83   -157942.59   -1047.6067    20177.139    235.49603    352.58952   0.83805114 
+    1480    69.894247   -3229.1329     1032.538   -4261.6708    1273.6899            0    884.58641    151521.54   -157941.48   -877.62887    19983.452    231.08411    345.95296   0.88426485 
+    1500    71.009717   -3256.5597     1060.231   -4316.7907    1291.1374            0    874.13592    151461.84   -157943.91   -1479.1729    19788.536    237.28186    355.23846   0.89410552 
+    1520    72.041054   -3283.4789    1004.9547   -4288.4336    1248.3551            0    849.40507    151555.63   -157941.83    -1210.342    19590.335    224.91093    336.73148   0.81999833 
+    1540    73.084395   -3307.2541     1008.328   -4315.5821    1259.4211            0     846.2933    151520.12   -157941.42   -1328.6534    19389.457    225.66587    337.86416   0.81796565 
+    1560    74.135646   -3333.4164    1009.8078   -4343.2242    1290.3482            0    843.72954     151464.8    -157942.1   -1492.5376    19185.011    225.99706    338.35783   0.82352496 
+    1580    75.198241   -3359.5746    1031.9507   -4391.5253     1301.979            0    907.32598    151341.72   -157942.55   -931.21229    18977.005    230.95268    345.78871   0.81873619 
+    1600    76.272058   -3383.7255    977.90216   -4361.6277    1350.9107            0    1005.0889    151225.61   -157943.23   -265.11417    18769.775    218.85651    327.62822   0.87537743 
+    1620    77.356282   -3399.3062    994.75129   -4394.0575    1387.4383            0    1059.1407     151101.4   -157942.03    574.54697    18568.615    222.62738    333.25885   0.91918263 
+    1640    78.448545   -3415.8361     1023.468    -4439.304    1398.4672            0     1052.931    151054.15   -157944.85    470.27927    18377.301    229.05423     342.8805   0.94357863 
+    1660    79.550247    -3434.561    975.54176   -4410.1027    1429.1617            0     1081.052     151023.2   -157943.52    1049.9178    18195.592    218.32825     326.8381   0.87189374 
+    1680    80.667191   -3451.4085    987.31735   -4438.7259    1473.5691            0    1116.4474    150914.31   -157943.05    1058.2306    18025.735    220.96365    330.80265   0.84371639 
+    1700    81.797154    -3467.686    964.72099    -4432.407    1455.6679            0    1109.6516       150945   -157942.73    1282.6999    17867.835    215.90654    323.18716   0.91347876 
+    1720    82.926758   -3484.8522    984.05698   -4468.9092    1459.9348            0    1102.3739    150911.78      -157943    919.74849    17722.037    220.23397     329.6527   0.95604421 
+    1740    84.064705   -3497.8606    976.97179   -4474.8324    1401.3809            0    1034.3626    151032.67   -157943.25    535.35483    17586.464    218.64829    327.27748   0.95261024 
+    1760     85.25497   -3516.3474    990.65511   -4507.0025    1393.0104            0    1015.5429    151026.85    -157942.4   -45.078457    17457.877    221.71065    331.88315   0.92222263 
+    1780    86.432811   -3532.5203    981.67325   -4514.1936    1381.8497            0    1018.8916    151028.12   -157943.05    419.25311    17333.542    219.70049    328.86023   0.94159899 
+    1800    87.629265   -3551.0627    978.09831    -4529.161    1409.4225            0    1023.8144    150980.45   -157942.84   -136.21958    17214.117    218.90041    327.67684   0.90973891 
+    1820    88.810324    -3566.367    953.86873   -4520.2357     1386.004            0    1027.6913    151009.66   -157943.59    272.29498    17097.552    213.47778    319.53574   0.93491142 
+    1840    89.996806   -3581.9401    989.35892    -4571.299    1438.2511            0    1011.4985    150924.05    -157945.1   -277.89182    16984.647    221.42056    331.39393    1.0309706 
+    1860    91.192728   -3597.0855    939.72505   -4536.8105    1424.7503            0    1045.0751     150938.2   -157944.83     769.1418    16874.282    210.31239    314.73818    1.0402053 
+    1880    92.395072   -3609.1452    988.80243   -4597.9477    1452.2757            0    1054.8324    150839.43   -157944.48    448.42199    16769.952    221.29601    331.17499     1.095477 
+    1900    93.599308   -3623.9274    981.88757    -4605.815    1467.8981            0    1058.3428    150811.66   -157943.72    440.93441    16671.114    219.74845    328.86095    1.0839713 
+    1920    94.800441   -3637.4995    962.46738   -4599.9668    1472.6584            0    1100.9414    150770.55   -157944.12    927.11674    16577.506    215.40217    322.39885   0.97801499 
+    1940    96.006696   -3649.8745    932.46317   -4582.3377    1482.9302            0    1127.1576    150751.01   -157943.44     1275.661    16490.871    208.68717    312.30264    1.0388692 
+    1960    97.217233   -3660.5717     957.9057   -4618.4774    1471.5387            0    1090.5959    150763.08   -157943.69    926.00133    16412.162    214.38126    320.81698     1.081062 
+    1980    98.432616    -3673.974    955.97217   -4629.9462    1448.9016            0    1043.2494    150823.46   -157945.55     585.7993    16339.534    213.94853    320.15896    1.0997884 
+    2000    99.651307   -3687.9477    943.17863   -4631.1263    1431.8862            0    1028.9334     150853.1   -157945.05    406.94681    16271.378    211.08531    315.85857    1.1166274 
+Loop time of 99.6513 on 1 procs for 2000 steps with 2500 atoms
+
+Performance: 1.734 ns/day, 13.840 hours/ns, 20.070 timesteps/s
+98.9% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 78.424     | 78.424     | 78.424     |   0.0 | 78.70
+Bond    | 0.032606   | 0.032606   | 0.032606   |   0.0 |  0.03
+Kspace  | 3.7865     | 3.7865     | 3.7865     |   0.0 |  3.80
+Neigh   | 9.511      | 9.511      | 9.511      |   0.0 |  9.54
+Comm    | 0.71185    | 0.71185    | 0.71185    |   0.0 |  0.71
+Output  | 0.0071998  | 0.0071998  | 0.0071998  |   0.0 |  0.01
+Modify  | 7.1361     | 7.1361     | 7.1361     |   0.0 |  7.16
+Other   |            | 0.04205    |            |       |  0.04
+
+Nlocal:    2500 ave 2500 max 2500 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    20897 ave 20897 max 20897 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.20428e+06 ave 2.20428e+06 max 2.20428e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2204275
+Ave neighs/atom = 881.71
+Ave special neighs/atom = 4
+Neighbor list builds = 122
+Dangerous builds = 16
+
+Total wall time: 0:01:39
diff --git a/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4 b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4
new file mode 100644
index 0000000000..332359e659
--- /dev/null
+++ b/examples/USER/drude/swm4-ndp/log.27Nov18.swm4-ndp.nh.g++.4
@@ -0,0 +1,252 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+special_bonds lj/coul 0.0 0.0 0.5
+
+pair_style lj/cut/coul/long 12.0 12.0
+kspace_style pppm 1.0e-3
+
+read_data data.swm4-ndp
+  orthogonal box = (-12 -12 -12) to (12 12 12)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  2500 atoms
+  scanning bonds ...
+  1 = max bonds/atom
+  scanning angles ...
+  1 = max angles/atom
+  reading bonds ...
+  2000 bonds
+  reading angles ...
+  500 angles
+  4 = max # of 1-2 neighbors
+  3 = max # of 1-3 neighbors
+  3 = max # of 1-4 neighbors
+  4 = max # of special neighbors
+
+pair_coeff    1    1      0.210939     3.183950  # ODw ODw
+pair_coeff    *   2*      0.000000     0.0
+
+group ATOMS type 1:3
+2000 atoms in group ATOMS
+group CORES type 1
+500 atoms in group CORES
+group DRUDES type 4
+500 atoms in group DRUDES
+
+variable TK equal 300.0
+variable TDK equal 1.0
+variable PBAR equal 1.0
+
+neighbor 2.0 bin
+
+timestep 1.0
+
+fix DRUDE all drude C N N D
+
+velocity ATOMS create ${TK} 12345
+velocity ATOMS create 300 12345
+velocity DRUDES create ${TDK} 12345
+velocity DRUDES create 1 12345
+
+delete_bonds ATOMS multi
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 1500 300
+Rebuild special list taking Drude particles into account
+Old max number of 1-2 to 1-4 neighbors: 4
+New max number of 1-2 to 1-4 neighbors: 4 (+0)
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 14
+  ghost atom cutoff = 14
+  binsize = 7, bins = 4 4 4
+  1 neighbor lists, perpetual/occasional/extra = 1 0 0
+  (1) pair lj/cut/coul/long, perpetual
+      attributes: half, newton on
+      pair build: half/bin/newton
+      stencil: half/bin/3d/newton
+      bin: standard
+  2000 total bonds, 500 turned on, 1500 turned off
+  500 total angles, 0 turned on, 500 turned off
+  0 total dihedrals, 0 turned on, 0 turned off
+  0 total impropers, 0 turned on, 0 turned off
+
+comm_modify vel yes
+compute TATOM ATOMS temp/com
+compute TEMP all temp/drude
+
+fix DTDIR all drude/transform/direct
+fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
+fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
+500 rigid bodies with 2000 atoms
+  0.832099 = max distance from body owner to body atom
+fix_modify RIGID temp TATOM press thermo_press
+WARNING: Temperature for fix modify is not for group all (src/RIGID/fix_rigid_nh_small.cpp:1338)
+fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
+fix NVT DRUDES nvt temp 1 ${TDK} 100.0
+fix NVT DRUDES nvt temp 1 1 100.0
+fix DTINV all drude/transform/inverse
+
+thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
+thermo 20
+
+run 2000
+PPPM initialization ...
+  using 12-bit tables for long-range coulomb (src/kspace.cpp:321)
+  G vector (1/distance) = 0.217457
+  grid = 10 10 10
+  stencil order = 5
+  estimated absolute RMS force accuracy = 0.197288
+  estimated relative force accuracy = 0.000594128
+  using double precision FFTs
+  3d grid and FFT values/proc = 1500 300
+Per MPI rank memory allocation (min/avg/max) = 18.29 | 18.3 | 18.3 Mbytes
+Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp c_TEMP[1] c_TEMP[2] 
+       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
+      20   0.45823026    3742.7989    5338.7966   -1595.9977    567.29056            0    662.23349    155098.48      -157924    31679.045    13979.575    1194.8336    1690.2267    201.65776 
+      40   0.95719695    2752.9392    4407.9332    -1654.994    792.86724            0    870.27523    154593.92   -157912.06    27392.303    14278.564     986.5045    1450.7624    56.079839 
+      60    1.4402499    1995.9776     3980.851   -1984.8734    660.64219            0    750.43211    154538.47   -157934.42    22242.677    14691.413    890.92262    1315.3403    40.305318 
+      80    1.9050057     1377.133    3449.7879   -2072.6549    617.64238            0    605.75691    154628.64   -157924.69    17345.359    15201.397    772.06961    1146.6088    21.447181 
+     100    2.3745039    886.38999     3038.411    -2152.021    537.89929            0    450.99966    154789.13   -157930.05    13299.226    15783.335    680.00261    1011.6773    15.016235 
+     120    2.8589215    488.05512    2928.1336   -2440.0785    536.23142            0      334.886    154620.05   -157931.25    8694.3495    16409.509    655.32232    977.40122     9.853881 
+     140    3.2965367    160.14918    2538.5119   -2378.3627    509.19544            0    249.89187    154793.34   -157930.79    6363.0936    17053.486    568.12418    847.92535    7.2744487 
+     160    3.7223189   -103.57483    2403.1617   -2506.7365    494.69852            0    144.07166    154790.83   -157936.34    4017.2081    17699.095    537.83252    803.44789    5.3901447 
+     180    4.1554348   -315.60495    2216.8001    -2532.405    477.29347            0    80.852028    154842.41   -157932.96    1958.2418    18336.716     496.1244    741.47039    4.4401782 
+     200    4.5533779   -490.60343    2058.8989   -2549.5023    470.22934            0    80.797892    154831.65   -157932.18    1260.3909    18960.132    460.78579      688.924    3.5878094 
+     220    4.9085493   -644.11131    2001.1202   -2645.2315    494.11411            0    53.067462    154741.64   -157934.05   -16.783051    19564.819     447.8548    669.94702    2.7746354 
+     240    5.2955835   -773.77077    1911.0789   -2684.8496    491.56671            0    36.573942    154722.87   -157935.86   -773.28467    20144.754    427.70337    639.97783    2.2990474 
+     260    5.7046614   -886.74825    1719.7065   -2606.4547    462.97836            0     47.58745    154814.53   -157931.55   -695.31939    20696.484    384.87384    575.96438    1.9230094 
+     280    6.0633757   -983.59043    1659.2126    -2642.803    476.05207            0       65.528    154749.28   -157933.67   -1099.7766    21220.608    371.33519    555.77921    1.7044743 
+     300    6.4097662    -1069.381    1531.6365   -2601.0175    487.38768            0     130.0599    154709.01   -157927.47   -548.94313    21717.512    342.78339    513.13082    1.4029607 
+     320    6.7455602    -1144.854     1562.925    -2707.779    508.98546            0    127.16624     154591.4   -157935.34   -1515.6429    22190.677    349.78582     523.6096     1.414493 
+     340    7.0504746   -1216.4848    1511.8539   -2728.3386    518.41635            0    144.67031    154541.86   -157933.28   -1346.5299    22636.537      338.356    506.57907    1.2331509 
+     360    7.3652327   -1279.8842    1434.5465   -2714.4306    524.92137            0    153.81139    154537.16   -157930.32    -1445.625    23056.451    321.05444    480.69079    1.1396531 
+     380    7.6638732   -1340.1922    1391.8227   -2732.0149    537.12747            0    180.48607    154482.89   -157932.52   -1316.0441    23450.122    311.49278     466.4254    1.0045437 
+     400    7.9763258     -1398.97    1401.3049    -2800.275    547.10484            0    190.74701    154394.07   -157932.19   -1697.8502    23818.202    313.61492    469.64586   0.92579849 
+     420    8.2703266    -1450.483     1357.937   -2808.4199    555.88824            0    178.22829    154390.11   -157932.65   -1958.9883    24158.533    303.90908    455.10587   0.90768013 
+     440    8.5902264   -1501.4161    1341.5516   -2842.9677    573.14949            0    195.16753    154320.41    -157931.7    -1876.025    24469.636    300.24201    449.65628   0.81297929 
+     460    8.8937869   -1551.3256    1326.1262   -2877.4518    581.25352            0    206.82716    154267.73   -157933.26   -2033.2771     24752.01    296.78977    444.48443    0.8068672 
+     480    9.1780484   -1598.4261    1289.0614   -2887.4875    599.31424            0    250.55266    154195.32   -157932.67   -1734.9907    25004.733     288.4946    432.05986   0.78706924 
+     500    9.4627533   -1647.1265    1310.6504   -2957.7768    620.75343            0    278.84436    154075.73   -157933.11   -1819.9564    25230.755    293.32624     439.2975   0.79707067 
+     520     9.744127   -1694.4448    1256.1824   -2950.6272    640.46082            0    300.05753     154043.8   -157934.95   -1676.1925    25430.395    281.13621    421.05228   0.74177674 
+     540    10.022904    -1741.636    1235.1581    -2976.794    663.79651            0    343.79844     153947.6   -157931.99   -1450.0194    25605.442    276.43091    414.00136   0.73713962 
+     560    10.317977   -1784.6341    1213.4226   -2998.0567      667.043            0    361.93171    153904.04   -157931.07   -1633.3649     25757.73    271.56648    406.71944   0.71740617 
+     580    10.599227   -1824.7401    1203.2527   -3027.9928    695.49991            0    399.21355    153809.37   -157932.08   -1210.3391    25887.112    269.29042    403.29611   0.74045254 
+     600    10.872629   -1865.8971    1201.7743   -3067.6714    714.59075            0    432.45767    153718.17   -157932.89   -1199.4783    25998.228    268.95956    402.78195   0.77684613 
+     620    11.144566   -1905.4349    1175.2733   -3080.7082    746.97979            0    456.14057    153649.58   -157933.41   -952.82994    26092.511    263.02858    393.89597   0.76773558 
+     640    11.426686   -1943.5065    1165.9307   -3109.4372    755.41374            0    483.29607    153585.09   -157933.23   -984.52156     26172.87    260.93768    390.78613    0.7189019 
+     660    11.699499   -1980.6601    1149.4782   -3130.1383    744.34638            0    460.44858    153597.74   -157932.67   -1312.9908    26238.692    257.25559    385.23533   0.78159645 
+     680    12.011345   -2017.8555    1159.1341   -3176.9896    734.22636            0    422.37481    153599.86   -157933.45   -1747.0103    26285.639    259.41659    388.49552   0.73989774 
+     700    12.310963   -2054.4791    1156.1376   -3210.6166    733.10466            0    423.00212    153565.55   -157932.27   -1636.1386    26309.504    258.74596    387.47025   0.77987596 
+     720    12.582198   -2091.6681    1174.8015   -3266.4696    739.49203            0     428.4236    153500.55   -157934.93   -1696.6642    26311.163      262.923    393.72409   0.79497316 
+     740    12.970993   -2130.5966    1159.8063    -3290.403     749.2778            0    449.89501    153443.16   -157932.74    -1820.153    26290.013    259.56704    388.70043   0.78112554 
+     760    13.328577   -2169.5713    1138.8137    -3308.385    783.90384            0    538.06269       153303   -157933.35   -1011.1163    26246.385    254.86884    381.62657   0.84363887 
+     780    13.701648   -2205.5168    1142.2259   -3347.7427     832.2034            0    585.43846    153169.83   -157935.21   -877.81856    26188.431    255.63251    382.73539   0.91548041 
+     800    14.064343   -2244.3113    1142.1063   -3386.4176    846.00692            0    618.31624    153083.94   -157934.68   -661.72264    26119.157    255.60573    382.69013   0.92572469 
+     820     14.33644   -2280.7153    1109.9081   -3390.6234    858.49264            0    654.04808    153031.02   -157934.18   -465.91138    26042.068    248.39971    371.86079   0.98075233 
+     840    14.635953   -2313.2679    1104.4689   -3417.7368    870.71302            0    653.66264    152993.54   -157935.66   -613.02846    25959.467     247.1824    370.05309   0.94666727 
+     860    14.907509   -2345.7077    1108.2969   -3454.0045    887.72574            0    641.79104    152948.54   -157932.06   -761.70678    25870.075    248.03912    371.27357    1.0741475 
+     880    15.183513   -2377.4774    1063.4515   -3440.9289    869.82787            0    628.04321    152993.89   -157932.69   -855.49925    25771.822    238.00263    356.26939   0.99311617 
+     900    15.507916   -2408.6686    1102.0685   -3510.7371     895.2471            0    633.04968     152893.8   -157932.84   -816.76925    25662.984    246.64518    369.19309    1.0560774 
+     920    15.786689   -2440.9159    1064.6296   -3505.5455    907.99426            0    640.59576    152879.85   -157933.98   -771.43262     25544.45    238.26628    356.60949     1.103337 
+     940    16.081306    -2471.511     1069.129     -3540.64    935.37062            0     676.1306    152783.76    -157935.9   -835.05654    25417.183    239.27326    358.07731     1.186596 
+     960    16.361392   -2501.4199    1106.6503   -3608.0702    940.89653            0    655.04578    152730.01   -157934.03   -1188.2588    25280.379     247.6706    370.62835     1.259746 
+     980      16.6468   -2536.7151    1106.7401   -3643.4553    955.83568            0    689.00094       152647    -157935.3    -1034.563    25131.304    247.69072    370.65118    1.2744144 
+    1000    16.935502   -2570.2795     1086.764   -3657.0436    980.59572            0    714.89208    152582.49   -157935.02   -778.85654    24971.385    243.22002    363.90242    1.3687958 
+    1020    17.227137   -2602.1046    1057.6875   -3659.7921    986.13374            0    727.61595    152561.35    -157934.9   -733.05283    24804.434    236.71263    354.20236    1.2597408 
+    1040    17.498504   -2630.2834    1061.6996   -3691.9831    979.55337            0    702.15346    152561.09   -157934.78   -845.34279     24631.58    237.61056    355.56436    1.2277288 
+    1060    17.773529   -2662.6359     1059.732   -3722.3679    987.68613            0    704.67809    152519.16   -157933.89   -870.46195    24451.603    237.17019    354.91872    1.1988053 
+    1080    18.050301   -2692.4034     1097.314   -3789.7174    1025.2827            0    758.27603    152361.94   -157935.22   -859.61672    24264.679    245.58112    367.45939    1.3334136 
+    1100     18.32944   -2721.6082    1035.0808    -3756.689    1024.3757            0    793.48607    152361.85    -157936.4   -398.00889    24072.334    231.65321     346.6143    1.2677215 
+    1120    18.641844    -2749.785    1044.4525   -3794.2375    1055.3749            0    824.30266    152262.04   -157935.96   -237.96338     23879.17    233.75062    349.76962    1.2451155 
+    1140    18.960959   -2772.8286    1065.2495    -3838.078    1064.0529            0    819.37794    152214.82   -157936.33   -419.50711    23686.912    238.40502    356.77133    1.1955971 
+    1160    19.294018   -2799.8843    1046.0072   -3845.8914    1068.2773            0    805.55181    152215.61   -157935.33   -627.01178    23494.818    234.09856    350.34221    1.1430413 
+    1180    19.649965   -2828.7115    1062.1027   -3890.8142     1081.854            0    768.64664    152195.11   -157936.43   -1113.3883    23300.677    237.70076    355.77198    1.0829394 
+    1200     19.96859    -2856.704     1046.499    -3903.203    1081.2546            0    753.81059    152196.72   -157934.99   -1184.6559    23100.615    234.20861    350.52914    1.0991524 
+    1220    20.326653    -2886.057    1023.9211   -3909.9781    1088.5712            0    740.41133    152197.78   -157936.75   -1477.5653      22893.4    229.15565    343.00067    1.0072919 
+    1240    20.659779   -2913.7708    995.31097   -3909.0818     1069.874            0    758.11146    152202.13    -157939.2   -1090.4758     22677.17    222.75264    333.41163   0.98913753 
+    1260    20.982659   -2936.9388     1011.886   -3948.8248    1101.8407            0    796.10406    152091.56   -157938.33   -917.17194    22454.903    226.46216    338.97372   0.98612749 
+    1280    21.296781   -2960.7771    994.15899   -3954.9361    1129.3448            0    823.90727    152029.43   -157937.61   -820.42886    22229.299    222.49482    333.04692   0.94562797 
+    1300    21.610997   -2984.3569    1049.8825   -4034.2394     1141.808            0    815.97434     151946.6   -157938.63   -777.81536    22002.292    234.96586     351.7259   0.97584665 
+    1320    21.939147   -3010.5287    1015.4181   -4025.9468     1162.122            0    814.19766    151933.87   -157936.14   -896.97771    21774.771    227.25266    340.00602    1.1005558 
+    1340    22.290971   -3038.0553     985.5931   -4023.6484    1161.8588            0     834.2486    151919.16   -157938.92   -776.69761    21546.055    220.57776    330.09107    1.0139801 
+    1360    22.647999    -3060.107    995.10747   -4055.2145    1155.9364            0    823.15336    151904.81   -157939.11   -1060.7954    21316.783    222.70709    333.36443   0.91659915 
+    1380     23.10948   -3084.6301    1045.0151   -4129.6452    1182.7352            0    811.15693    151815.78   -157939.31   -1245.9569     21085.59    233.87652    350.01917    1.0453875 
+    1400    23.508905   -3109.9777    987.57375   -4097.5514    1174.5153            0    826.73317    151839.75   -157938.55   -936.38803    20851.737    221.02103     330.8031   0.91405623 
+    1420    23.906708   -3133.4897    996.08018   -4129.5698     1204.428            0     883.9796    151722.31   -157940.29   -279.27606    20617.831    222.92479    333.68351   0.93320818 
+    1440    24.340815   -3156.6284    1002.5391   -4159.1675    1256.8861            0    938.67074    151584.42   -157939.15   -252.37357     20388.73     224.3703    335.78661    1.0353205 
+    1460    24.814756   -3174.2482    1025.2447    -4199.493    1219.0264            0    890.12474    151633.42   -157942.07   -472.20532    20165.369    229.45188    343.47039   0.91379457 
+    1480    25.194546   -3199.1381    1019.3011   -4218.4392    1263.6197            0     907.8062    151551.73   -157941.59   -357.34642    19946.233    228.12168    341.47893   0.95052162 
+    1500      25.6163   -3221.8311    999.94752   -4221.7787    1277.1026            0    966.69277    151477.62   -157943.19    163.84163    19732.291    223.79031    334.84833    1.1106364 
+    1520    26.062775   -3240.6737    1026.9402   -4267.6139    1307.0169            0    971.17205    151397.27   -157943.07    300.59837    19526.783    229.83132    344.05076   0.92328807 
+    1540     26.51185   -3263.1162    1054.1755   -4317.2916    1310.0417            0    972.81145    151342.02   -157942.16   -71.812538    19330.083    235.92663    353.19321   0.92162655 
+    1560    26.975349   -3285.1217    1012.3967   -4297.5183    1317.4278            0    1037.4478    151290.29   -157942.68    862.26427    19140.892    226.57645    339.17946   0.91729521 
+    1580    27.358741   -3305.5601    989.56962   -4295.1297    1340.9939            0    1081.7847    151223.92   -157941.82    1218.8084    18963.059    221.46771    331.53455   0.89110049 
+    1600     27.75085   -3325.3691    1029.8506   -4355.2197    1351.2586            0    1061.6722    151170.95    -157939.1    749.81991    18797.795    230.48267    344.98106    1.0044287 
+    1620    28.144375   -3345.1891     1016.654   -4361.8431    1337.3071            0    1043.5237    151199.64   -157942.31    600.76159     18642.93    227.52925    340.61677   0.89914217 
+    1640    28.539596   -3364.6709    980.13009    -4344.801    1354.0177            0    1066.4673    151176.84   -157942.13    1010.3991    18496.839    219.35513    328.33786   0.95094445 
+    1660    28.935194   -3382.7945    996.82121   -4379.6158    1343.4606            0    1016.5523    151199.22   -157938.85    546.93155     18360.15    223.09063    333.92162   0.96051901 
+    1680    29.338179   -3403.1864    976.66081   -4379.8472    1355.1038            0    1029.6963    151176.44   -157941.09    748.54459    18230.922    218.57869    327.20355   0.89183674 
+    1700    29.743355   -3417.6904    994.06517   -4411.7556    1368.1157            0    1013.9323    151145.57   -157939.38    351.45668    18109.291    222.47382    332.98346    0.9529814 
+    1720     30.14859   -3434.6282    979.89215   -4414.5203    1377.0869            0     1043.321    151104.18   -157939.11    1004.1915     17993.82    219.30187    328.11073    1.0747474 
+    1740    30.591568   -3451.0422    966.54361   -4417.5858    1376.9794            0    1050.8109    151097.44   -157942.82    1079.9737    17886.467    216.31444    323.72083    1.0159044 
+    1760    31.006144   -3469.3784    980.75469   -4450.1331    1396.5756            0    1015.9581    151078.09   -157940.75    190.14272    17786.919    219.49491    328.49844   0.97971363 
+    1780    31.424875   -3485.9292     1008.375   -4494.3041    1373.9658            0    984.95385     151090.2   -157943.42   -155.51723     17691.03    225.67639     337.7992   0.97942677 
+    1800    31.849784    -3502.475    976.23102    -4478.706    1385.4591            0    994.63329    151084.94   -157943.74    288.55406    17597.361    218.48251    327.04845   0.91364963 
+    1820    32.275504   -3520.5204    971.19507   -4491.7155    1407.4082            0     1049.909    150992.97   -157942.01     526.1499     17507.18    217.35545    325.30923   0.99414761 
+    1840    32.701591   -3535.2936    982.97322   -4518.2668    1419.0124            0    1050.2222    150955.57   -157943.08    420.31843    17421.408    219.99142    329.22593    1.0824421 
+    1860    33.133267   -3551.8598    947.45359   -4499.3134     1430.136            0    1069.4805    150943.73   -157942.66    669.02599    17340.063    212.04206    317.36556   0.97096264 
+    1880     33.56593   -3564.7527    963.54319   -4528.2959    1418.0293            0    1050.1008    150947.78   -157944.21    529.33841    17263.982    215.64294    322.72997   0.96836521 
+    1900     34.00203   -3580.0607     963.5239   -4543.5846    1424.6268            0    1048.9836    150925.17   -157942.36    464.00157    17192.083    215.63863    322.69033    1.0695571 
+    1920     34.44279   -3593.8573    957.94124   -4551.7986    1437.3475            0    1061.2427    150893.58   -157943.97    400.78058    17123.621    214.38922     320.8512     1.015936 
+    1940    34.877758   -3608.3005    951.71962   -4560.0201    1421.2611            0    1059.2678    150903.97   -157944.52     332.6227    17058.096     212.9968    318.72703    1.0660417 
+    1960    35.315982   -3623.3562    948.66706   -4572.0233    1438.6049            0    1066.4475    150868.57   -157945.64    448.04656     16995.11    212.31364    317.61154    1.1874864 
+    1980     35.79727   -3635.1448    958.32383   -4593.4687    1448.1655            0    1056.2971    150846.27    -157944.2    110.28409    16935.142    214.47484    320.97102    1.0535213 
+    2000    36.231822   -3649.7345    959.87855   -4609.6131    1458.7554            0    1080.5488    150796.28    -157945.2    615.27816    16877.582    214.82279    321.49302    1.0526861 
+Loop time of 36.2319 on 4 procs for 2000 steps with 2500 atoms
+
+Performance: 4.769 ns/day, 5.032 hours/ns, 55.200 timesteps/s
+96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 19.246     | 21.089     | 23.446     |  32.8 | 58.21
+Bond    | 0.012314   | 0.012709   | 0.013402   |   0.4 |  0.04
+Kspace  | 2.0259     | 4.3875     | 6.228      |  72.1 | 12.11
+Neigh   | 2.6629     | 2.6673     | 2.6718     |   0.3 |  7.36
+Comm    | 0.95863    | 0.96795    | 0.97884    |   0.9 |  2.67
+Output  | 0.0071304  | 0.0093493  | 0.0142     |   2.9 |  0.03
+Modify  | 7.0096     | 7.0134     | 7.0186     |   0.1 | 19.36
+Other   |            | 0.08472    |            |       |  0.23
+
+Nlocal:    625 ave 683 max 565 min
+Histogram: 1 0 0 0 1 0 1 0 0 1
+Nghost:    12687 ave 12923 max 12461 min
+Histogram: 1 0 0 1 0 0 1 0 0 1
+Neighs:    531145 ave 625145 max 458041 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+
+Total # of neighbors = 2124581
+Ave neighs/atom = 849.832
+Ave special neighs/atom = 4
+Neighbor list builds = 122
+Dangerous builds = 16
+
+Total wall time: 0:00:36
diff --git a/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.1 b/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.1
deleted file mode 100644
index e66f4c69c2..0000000000
--- a/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.1
+++ /dev/null
@@ -1,230 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/coul/long 12.0 12.0
-kspace_style pppm 1.0e-3
-
-comm_modify vel yes
-read_data data.swm4-ndp
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  2500 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  2000 bonds
-  reading angles ...
-  500 angles
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  3 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-pair_coeff    1    1      0.210939     3.183950  # ODw ODw
-pair_coeff    *   2*      0.000000     0.0
-
-group ATOMS type 1:3
-2000 atoms in group ATOMS
-group CORES type 1
-500 atoms in group CORES
-group DRUDES type 4
-500 atoms in group DRUDES
-
-variable TK equal 300.0
-variable TDK equal 1.0
-variable PBAR equal 1.0
-
-neighbor 2.0 bin
-
-timestep 1.0
-
-fix DRUDE all drude C N N D
-
-velocity ATOMS create ${TK} 12345
-velocity ATOMS create 300 12345
-velocity DRUDES create ${TDK} 12345
-velocity DRUDES create 1 12345
-
-delete_bonds ATOMS multi
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 3375 1000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 14
-  2000 total bonds, 500 turned on, 1500 turned off
-  500 total angles, 0 turned on, 500 turned off
-  0 total dihedrals, 0 turned on, 0 turned off
-  0 total impropers, 0 turned on, 0 turned off
-
-fix TEMP all langevin/drude ${TK} 100. 1256 ${TDK} 20. 13977 zero yes
-fix TEMP all langevin/drude 300 100. 1256 ${TDK} 20. 13977 zero yes
-fix TEMP all langevin/drude 300 100. 1256 1 20. 13977 zero yes
-fix NPH ATOMS rigid/nph/small molecule iso ${PBAR} ${PBAR} 500.
-fix NPH ATOMS rigid/nph/small molecule iso 1 ${PBAR} 500.
-fix NPH ATOMS rigid/nph/small molecule iso 1 1 500.
-500 rigid bodies with 2000 atoms
-  0.832099 = max distance from body owner to body atom
-fix NVE DRUDES nve
-
-compute TEMP all temp/drude
-
-thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
-thermo 20
-
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 3375 1000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Memory usage per processor = 24.8361 Mbytes
-Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp TEMP[1] TEMP[2] 
-       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
-      20     1.529202     2882.459    4527.8074   -1645.3484    561.72857            0    600.34616    155114.77   -157922.19    27167.702    14058.741    1013.3326    1438.6699    160.63128 
-      40     3.073256    1331.3826    3348.9313   -2017.5487    681.52309            0    553.09465    154668.62   -157920.79     17925.93    14484.215     749.4977    1105.2032    36.587791 
-      60     4.584862    297.35979    2604.4137   -2307.0539    583.99971            0     409.0399    154634.74   -157934.83    13017.752    15026.564    582.87312    864.55899    18.335649 
-      80     6.053256   -374.31023    2263.3247    -2637.635    534.80338            0    212.27981    154543.18    -157927.9    6155.9261    15645.855    506.53672    755.45209    7.6929084 
-     100    7.4787509   -905.58889    1911.7191    -2817.308    532.30405            0    87.570168    154497.48   -157934.66    2149.3099    16288.797    427.84666    639.27768    4.1289101 
-     120    8.8570309   -1233.6894    1675.0881   -2908.7775     544.7643            0    59.500519    154422.72   -157935.76     233.4994    16915.818    374.88816    560.54169    2.8313123 
-     140    10.102229   -1463.4927    1468.7443    -2932.237    539.69692            0    41.083584    154424.91   -157937.93   -1492.9865    17509.345    328.70799    491.66353    2.1394958 
-     160    11.319324   -1695.7535    1385.9603   -3081.7137    552.91518            0    30.022893    154274.72   -157939.37   -3010.4983    18061.925    310.18075      463.968    1.9858941 
-     180     12.62008   -1818.1958     1253.169   -3071.3648    559.57456            0     20.01719    154289.67   -157940.63   -3354.4536    18564.877     280.4618    419.57594    1.6725953 
-     200    13.836408   -1949.6497    1210.0669   -3159.7167      570.055            0    16.319449    154195.04   -157941.13   -4118.0013    19014.456    270.81546    405.06925     1.766255 
-     220    15.032024   -2031.6125    1148.1454   -3179.7579    598.02981            0    30.833041    154127.13   -157935.75   -4514.7299    19406.767     256.9573    384.33701    1.6839691 
-     240    16.302775   -2118.6259    1120.0048   -3238.6307     613.2903            0    59.888138     154030.6   -157942.41   -4415.1944     19738.97    250.65937    374.93983    1.5971234 
-     260    17.465169   -2203.4348    1065.8476   -3269.2823    614.19171            0    77.619746    153980.69   -157941.79   -4564.2677    20011.077    238.53887    356.80737    1.5247856 
-     280    18.614435   -2317.9282    1033.2676   -3351.1958    650.51218            0    126.14976    153811.64   -157939.49   -4722.7543    20224.149    231.24742     345.8479    1.5839508 
-     300    19.757547   -2377.6306     992.4842   -3370.1148    688.02217            0    179.77994    153701.18    -157939.1   -4126.4983    20378.439       222.12    332.08757    1.7406267 
-     320    20.888309   -2419.6547    1023.0345   -3442.6892    720.31567            0    227.70007    153549.33   -157940.04   -4083.8776    20479.241    228.95722    342.33844    1.7368676 
-     340    22.018005   -2456.7661      1048.83   -3505.5961    754.13021            0    264.44865    153415.74   -157939.91   -3894.7125    20529.721    234.73031    351.04714    1.6271854 
-     360    23.241519   -2504.7475    1041.9912   -3546.7386    785.42547            0    335.38743    153271.47   -157939.03   -3464.4465    20531.323    233.19976    348.66924    1.7943874 
-     380    24.370763   -2596.2223     1000.109   -3596.3313    825.31479            0    390.18238    153129.56   -157941.39   -3355.5804    20490.646    223.82645    334.61119    1.8093168 
-     400    25.499192   -2666.6702     1006.474   -3673.1442     865.9858            0    422.51674    152978.57   -157940.21   -3329.4637    20411.001    225.25095    336.79016    1.7220267 
-     420    26.635042   -2675.8885    1036.9567   -3712.8452    909.14044            0    490.71452    152826.18   -157938.88   -2907.7096    20294.317    232.07303    346.92895    1.8970394 
-     440    27.774963   -2731.5399    1054.4488   -3785.9886    935.99349            0     530.9675    152684.75    -157937.7    -2566.587    20147.094     235.9878    352.84462    1.8021906 
-     460    28.922784   -2808.5929    996.20283   -3804.7957     986.6991            0    582.25374    152565.95    -157939.7   -2489.2912    19973.682    222.95224    333.32237    1.7660757 
-     480     30.07189     -2862.64    1012.7035   -3875.3436    1005.1596            0    610.07691    152450.62    -157941.2   -2031.6453    19777.635    226.64513    338.80268    1.8767218 
-     500    31.210731   -2935.4679    989.23412    -3924.702    1019.9115            0    633.87354     152362.4   -157940.89   -2214.2821    19561.863    221.39263    330.98935    1.7563884 
-     520    32.363073   -2989.4684    968.83888   -3958.3072    1057.5825            0    655.88302    152269.68   -157941.45    -2298.887    19328.548    216.82813    324.17678    1.6971802 
-     540    33.631173   -3036.6833    1016.2589   -4052.9421    1091.2498            0    658.37327     152140.1   -157942.67    -2240.561    19080.875    227.44082    340.06628    1.7350202 
-     560    34.815099   -3093.7794     947.7515   -4041.5309    1141.2318            0     764.1603    151995.79   -157942.71   -1157.5191    18819.961    212.10873    317.02152     1.858938 
-     580    36.012327   -3166.4133     987.9563   -4154.3696    1199.2171            0    796.34125    151794.12   -157944.05   -1304.4967    18555.635    221.10665    330.55449    1.7687509 
-     600    37.228579   -3194.8572    979.66264   -4174.5199    1206.8265            0    842.68836    151717.96   -157941.99   -843.16439    18290.222    219.25051    327.76152    1.7899831 
-     620    38.457464   -3255.2052    965.87596   -4221.0812    1218.8406            0    849.13897    151653.64    -157942.7    -628.0114    18027.862    216.16502    323.08905    1.8846337 
-     640    39.700987   -3269.6729    1003.1309   -4272.8038    1273.0417            0    928.68865    151468.54   -157943.07    117.71698    17770.578    224.50275    335.54575    1.9677468 
-     660    40.961165   -3293.6967    1002.4504   -4296.1471    1299.7531            0    955.60765    151392.37   -157943.87    207.76414    17523.763    224.35045     335.3089    1.9848634 
-     680    42.237597    -3310.539    1011.7934   -4322.3324    1358.9202            0    986.69345    151275.62   -157943.56    677.05046    17289.864    226.44145    338.46824    1.9349743 
-     700    43.530486   -3380.6882     976.5597   -4357.2479    1378.7945            0    1003.8845    151205.15   -157945.07    605.30766    17069.732    218.55607    326.63938    1.9523301 
-     720    44.837568   -3385.7377    1005.1302   -4390.8679    1389.9512            0    1012.3035    151151.06   -157944.19    817.35931    16863.381    224.95021    336.31657    1.7675955 
-     740    46.162222   -3378.6942    1023.8252   -4402.5194    1400.0688            0    1063.4211    151077.64   -157943.65    1513.5741    16671.518    229.13418    342.45655    2.0311926 
-     760    47.500172   -3425.4378    1036.4011   -4461.8389    1408.8321            0    1068.7339    151003.75   -157943.15    1350.0894    16496.502     231.9487     346.7108    1.9605952 
-     780    48.851472   -3453.9533    1021.8895   -4475.8428    1425.2091            0    1104.5857    150938.44   -157944.08    1801.2205    16339.019    228.70097    341.83264    1.9802343 
-     800      50.2129   -3497.6136    979.31494   -4476.9285    1441.1399            0    1119.8292    150908.27   -157946.17    1649.8638    16200.982    219.17269    327.47284    2.1340593 
-     820    51.586885   -3545.7792    969.50276    -4515.282    1479.3831            0    1103.1191    150847.98   -157945.76    1410.2174    16081.771    216.97671    324.23659    2.0229826 
-     840    52.968935   -3562.4777    972.83071   -4535.3084    1470.5582            0    1079.9217    150857.46   -157943.25    1608.0813    15977.891    217.72151    325.33963    2.0498221 
-     860      54.3603   -3569.1307     987.8631   -4556.9938    1446.8392            0    1055.8137    150885.62   -157945.27    1110.2002    15887.947    221.08579     330.4231    1.9689916 
-     880    55.752677   -3612.6783    957.13055   -4569.8088    1435.3619            0     1056.264    150883.35   -157944.78    914.27883    15809.361    214.20778    320.06673    2.0614732 
-     900    57.105164    -3660.821    939.51428   -4600.3353    1463.6114            0     1070.121    150812.25   -157946.31    1261.3306    15740.285    210.26522    314.20385     1.967446 
-     920    58.464501   -3685.0371    941.21956   -4626.2567    1483.8487            0    1096.8187    150737.38   -157944.31    1236.4144    15680.989    210.64687    314.81024      1.89883 
-     940     59.82202   -3719.0907    915.61639   -4634.7071    1515.6474            0    1104.1119    150691.39   -157945.86    1066.5855    15632.292    204.91683    306.20627    1.9280979 
-     960    61.189826   -3752.7758    893.54303   -4646.3189    1517.1996            0    1125.6182    150656.81   -157945.94    1449.4275    15593.029    199.97676    298.74917    2.0320058 
-     980    62.459059   -3752.1139    925.61635   -4677.7302    1528.3468            0    1137.3575    150600.83   -157944.27    1493.1803    15564.263    207.15484     309.5242    2.0018169 
-    1000      63.8395   -3737.7642    905.82477    -4643.589     1505.254            0    1110.1192    150686.75   -157945.72    1296.1084    15546.258    202.72544    302.92529    1.9202879 
-    1020    65.169118   -3767.2178    892.14155   -4659.3593    1493.2162            0    1085.8721    150707.12   -157945.57    922.80521    15537.177    199.66311    298.24598    2.0980372 
-    1040    66.474103   -3783.5702    891.57404   -4675.1442    1484.1631            0    1076.2171    150710.25   -157945.77    707.15481    15535.102     199.5361    298.15469    1.8998396 
-    1060     67.68596   -3816.1219    868.55884   -4684.6807    1478.7568            0    1060.3026     150723.2   -157946.94    638.16846    15538.641    194.38525    290.46937    1.8282435 
-    1080    69.003517   -3807.3485    875.34276   -4682.6913    1482.2148            0    1055.6143    150725.66   -157946.19    416.14661    15546.427    195.90351    292.75831     1.802085 
-    1100    70.315532   -3814.5517    894.42504   -4708.9768    1492.6318            0    1053.4891    150692.22   -157947.31    341.55654    15557.253    200.17416    299.12904    1.8640462 
-    1120     71.62724     -3837.42    886.31149   -4723.7315    1497.9422            0    1047.1133    150677.33   -157946.12    4.9308474    15569.465    198.35833    296.42678    1.8247148 
-    1140    72.956868   -3802.3965    899.40687   -4701.8034    1479.6329            0    1020.1254    150744.44      -157946   -142.99064    15582.446     201.2891    300.81318    1.8383791 
-    1160    74.274932   -3810.7658    902.84695   -4713.6127    1472.5916            0    1018.8174     150740.5   -157945.52    12.783208    15594.928      202.059    301.90406    1.9647721 
-    1180    75.595463   -3786.4338    929.44447   -4715.8783    1477.4053            0    1016.2942    150735.81   -157945.39    -53.70556    15606.416    208.01158    310.85718    1.9043666 
-    1200    76.915409   -3800.0338    897.43664   -4697.4705    1483.1401            0      1059.31    150706.14   -157946.06    534.37576    15617.028    200.84816    300.11638    1.9100302 
-    1220    78.119883   -3799.6824    882.65153   -4682.3339    1488.5302            0    1036.1696    150739.15   -157946.19    155.57627    15628.242    197.53922    295.16257    1.8974641 
-    1240    79.419663   -3800.7533    911.18613   -4711.9394    1475.5968            0    1005.3229    150752.61   -157945.47   -457.64009    15638.953    203.92533    304.69739    1.9733514 
-    1260    80.721954   -3763.5149    950.12041   -4713.6353    1441.6787            0    964.69517     150825.9   -157945.91   -604.24646    15647.017     212.6389    317.74138    2.0086447 
-    1280    82.018768    -3770.742    937.09634   -4707.8384    1445.4659            0    949.37244    150842.61   -157945.28   -993.94783    15650.702    209.72409    313.39122    1.9703726 
-    1300    83.314893   -3777.4899    904.34062   -4681.8306    1435.5873            0    967.49755    150860.85   -157945.76   -640.04936    15648.293    202.39329    302.46077    1.8535337 
-    1320    84.617907   -3766.6204    885.81908   -4652.4395    1416.0678            0    971.89494    150906.86   -157947.27   -366.46049    15641.654    198.24813    296.26647    1.8149522 
-    1340    85.931152   -3774.8032    919.58694   -4694.3901    1425.1776            0    939.16654    150887.07   -157945.81   -950.33698    15631.589    205.80544     307.5014    2.0019282 
-    1360    87.242691   -3787.4243    922.65238   -4710.0767    1430.1028            0    964.01827    150842.71   -157946.91   -767.13405    15614.998     206.4915    308.53756    1.9863831 
-    1380    88.556261    -3792.754    900.77391   -4693.5279    1420.8035            0    953.09514    150878.52   -157945.95   -1072.9667    15593.378    201.59505    301.19366    1.9946415 
-    1400    89.868914   -3772.1032    910.85489   -4682.9581    1401.9732            0    959.20659    150901.09   -157945.23   -640.48972    15566.828    203.85119    304.58411    1.9776581 
-    1420    91.085535   -3782.5246    898.64718   -4681.1718    1436.1885            0    1010.9254    150817.16   -157945.45    -21.80524    15536.721    201.11908     300.5555    1.8440133 
-    1440    92.406331   -3775.4206    919.73488   -4695.1554    1446.1057            0    1018.1835    150785.23   -157944.68    46.810177    15507.157    205.83855     307.4904     2.123189 
-    1460    93.732761   -3757.7457    938.91361   -4696.6593    1451.5945            0    1008.6517    150787.38   -157944.28   -175.88589    15478.297    210.13079    313.97065     2.030827 
-    1480    95.057074   -3776.8625     933.4271   -4710.2896    1469.7064            0    1033.8521    150731.34   -157945.19    171.44717    15450.004     208.9029    312.19981    1.8912834 
-    1500    96.391192   -3764.5196    945.12068   -4709.6403    1483.0898            0    1052.3029    150699.59   -157944.62    431.18844    15423.716    211.51995    316.14058      1.85565 
-    1520    97.721669    -3760.514    960.29952   -4720.8136    1507.6965            0    1068.2902    150648.96   -157945.76    714.27148    15402.108      214.917    321.14587    2.0294443 
-    1540    99.056402   -3787.9932    950.73472    -4738.728    1514.4781            0    1058.2368    150635.29   -157946.73    547.92963    15384.955    212.77638    318.01984    1.8639142 
-    1560    100.30064   -3822.5612    921.12091   -4743.6821    1519.8628            0    1084.8337     150596.5   -157944.88     479.4088    15370.571    206.14875    308.02344     1.987069 
-    1580    101.63827   -3832.4207    936.50822   -4768.9289    1562.5808            0    1124.0034    150490.87   -157946.38    833.06708    15360.019    209.59246    313.15266    2.0528778 
-    1600    102.98354   -3862.3688    922.42346   -4784.7923    1571.2038            0    1110.9988     150479.2   -157946.19    674.29885    15354.399    206.44026    308.48417    1.9395764 
-    1620    104.32562   -3863.8731    946.37539   -4810.2485    1562.9498            0     1094.323    150478.98    -157946.5   -224.35579    15352.811    211.80075    316.51174    1.9551706 
-    1640    105.66368   -3834.5163    952.04367   -4786.5599    1536.5144            0    1078.6783    150544.66   -157946.41   -30.565669    15352.152    213.06933    318.41145    1.9589345 
-    1660    107.00124    -3859.131    892.31028   -4751.4413    1515.0462            0    1076.4059    150603.91   -157946.81    227.01045    15352.058    199.70087    298.41871    1.8658052 
-    1680     108.2363   -3858.2995     918.6578   -4776.9573    1533.9319            0    1064.9106    150570.69   -157946.49    335.15388    15352.595     205.5975    307.20976    1.9617869 
-    1700     109.5659   -3850.0817    929.25672   -4779.3384    1552.5519            0    1094.2161    150519.21   -157945.31    393.76719    15353.331    207.96956    310.72982    2.0330981 
-    1720    110.90017    -3890.603    917.87519   -4808.4781    1566.3302            0    1075.6092    150495.91   -157946.33   -76.371955    15355.997    205.42235    306.92393    2.0083539 
-    1740    112.13829   -3891.5259    936.37478   -4827.9007    1568.2195            0    1085.8514    150464.14   -157946.11    0.9297943     15358.36     209.5626    313.09836    2.0719603 
-    1760    113.46951   -3881.0244    903.38798   -4784.4124    1524.2547            0    1079.0557    150557.47   -157945.19    192.41461    15360.098    202.18008    302.05776    2.0203699 
-    1780    114.81068   -3885.7248    910.74799   -4796.4728    1532.8732            0    1055.4583    150560.36   -157945.17   -530.84683    15362.305    203.82727    304.58876    1.8966227 
-    1800    116.14689   -3907.0506    885.50025   -4792.5508    1533.7624            0    1068.2841    150550.77   -157945.37    240.13827    15362.751    198.17677     296.0834    1.9671724 
-    1820    117.48197   -3898.1244    894.18625   -4792.3107     1521.378            0    1059.1428    150574.05   -157946.88    34.574046    15361.495    200.12072    298.96924    2.0234207 
-    1840    118.82815   -3874.3766    895.94028   -4770.3169    1523.7865            0    1077.7882    150573.72   -157945.61    324.16201    15359.092    200.51327    299.59285    1.9530985 
-    1860    120.06522   -3892.2617    891.17198   -4783.4337    1526.1544            0    1091.1167    150543.11   -157943.82    574.32363    15357.261    199.44612    297.92332    2.0928308 
-    1880    121.40834   -3906.8943    911.93286   -4818.8271    1552.4086            0    1113.1993    150462.35   -157946.79    279.12422     15356.96    204.09245    304.90059    2.0679776 
-    1900    122.76151   -3922.7591    879.82965   -4802.5888    1550.6607            0    1108.3657    150485.77   -157947.38    356.47291    15359.386    196.90768    294.18644    1.9563556 
-    1920    124.11267   -3960.2437    869.21003   -4829.4537    1521.5339            0    1036.9974     150558.9   -157946.89   -839.29936     15362.76    194.53099    290.66184    1.8802157 
-    1940    125.45713    -3954.661    876.75754   -4831.4186    1506.7448            0    1007.0383    150601.14   -157946.34   -1316.6937    15361.338    196.22014    293.17781    1.9123591 
-    1960    126.70769   -3938.7558    876.41976   -4815.1756    1481.7627            0    996.84388    150652.15   -157945.93   -887.63902    15352.095    196.14454    293.08662    1.8680915 
-    1980    128.05176   -3911.4383    894.43818   -4805.8765    1516.4382            0     1037.517    150585.32   -157945.15   -176.75144    15336.185     200.1771    299.12472    1.8815139 
-    2000     129.4091   -3920.2641    888.06919   -4808.3333    1495.9942            0     1040.703    150601.72   -157946.75   -243.72475    15316.676    198.75171    296.94612    1.9653682 
-Loop time of 129.409 on 1 procs for 2000 steps with 2500 atoms
-
-Pair  time (%) = 109.108 (84.3128)
-Bond  time (%) = 0.0499372 (0.0385887)
-Kspce time (%) = 3.30969 (2.55754)
-Neigh time (%) = 9.70209 (7.49723)
-Comm  time (%) = 0.829103 (0.640684)
-Outpt time (%) = 0.00999022 (0.00771987)
-Other time (%) = 6.39989 (4.94547)
-
-Nlocal:    2500 ave 2500 max 2500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    21780 ave 21780 max 21780 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2.34087e+06 ave 2.34087e+06 max 2.34087e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2340869
-Ave neighs/atom = 936.348
-Ave special neighs/atom = 4
-Neighbor list builds = 100
-Dangerous builds = 6
-
diff --git a/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.4 b/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.4
deleted file mode 100644
index b43b75cc35..0000000000
--- a/examples/USER/drude/swm4-ndp/log.swm4-ndp.lang.8Jul15.linux.4
+++ /dev/null
@@ -1,230 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/coul/long 12.0 12.0
-kspace_style pppm 1.0e-3
-
-comm_modify vel yes
-read_data data.swm4-ndp
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  2500 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  2000 bonds
-  reading angles ...
-  500 angles
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  3 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-pair_coeff    1    1      0.210939     3.183950  # ODw ODw
-pair_coeff    *   2*      0.000000     0.0
-
-group ATOMS type 1:3
-2000 atoms in group ATOMS
-group CORES type 1
-500 atoms in group CORES
-group DRUDES type 4
-500 atoms in group DRUDES
-
-variable TK equal 300.0
-variable TDK equal 1.0
-variable PBAR equal 1.0
-
-neighbor 2.0 bin
-
-timestep 1.0
-
-fix DRUDE all drude C N N D
-
-velocity ATOMS create ${TK} 12345
-velocity ATOMS create 300 12345
-velocity DRUDES create ${TDK} 12345
-velocity DRUDES create 1 12345
-
-delete_bonds ATOMS multi
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 1500 300
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 14
-  2000 total bonds, 500 turned on, 1500 turned off
-  500 total angles, 0 turned on, 500 turned off
-  0 total dihedrals, 0 turned on, 0 turned off
-  0 total impropers, 0 turned on, 0 turned off
-
-fix TEMP all langevin/drude ${TK} 100. 1256 ${TDK} 20. 13977 zero yes
-fix TEMP all langevin/drude 300 100. 1256 ${TDK} 20. 13977 zero yes
-fix TEMP all langevin/drude 300 100. 1256 1 20. 13977 zero yes
-fix NPH ATOMS rigid/nph/small molecule iso ${PBAR} ${PBAR} 500.
-fix NPH ATOMS rigid/nph/small molecule iso 1 ${PBAR} 500.
-fix NPH ATOMS rigid/nph/small molecule iso 1 1 500.
-500 rigid bodies with 2000 atoms
-  0.832099 = max distance from body owner to body atom
-fix NVE DRUDES nve
-
-compute TEMP all temp/drude
-
-thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
-thermo 20
-
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 1500 300
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Memory usage per processor = 15.0906 Mbytes
-Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp TEMP[1] TEMP[2] 
-       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
-      20   0.47649789    2915.1578    4579.5774   -1664.4195    561.91893            0    600.76451    155095.13   -157922.23     27379.77    14058.574    1024.9188    1455.9194    160.86778 
-      40   0.97488093    1320.1721    3337.6372   -2017.4651    726.83344            0     585.5439    154587.28   -157917.12    18749.425    14485.651    746.97006    1101.4061    36.530914 
-      60    1.4631288    284.06852    2671.4325   -2387.3639    575.54157            0     387.8792    154580.74   -157931.53    12104.741    15031.425    597.87207    886.98502    18.450413 
-      80     1.937151   -462.53017     2214.284   -2676.8142    560.36347            0    254.65245    154447.22   -157939.05    6285.2465    15651.216    495.56131    739.13811    7.4024411 
-     100    2.3922298   -965.19662     1839.831   -2805.0276    544.59528            0    115.80812    154469.59   -157935.02    2361.9397     16295.72    411.75795    615.12769     4.196977 
-     120     2.832803   -1316.6351     1649.585   -2966.2202     554.6664            0    50.928925    154365.49    -157937.3   -493.85523    16925.293    369.18052     552.0345    2.7331855 
-     140    3.2340388   -1590.9162    1440.6669   -3031.5831    526.07679            0    -24.44055    154404.35   -157937.57   -2586.2431    17517.285    322.42421    482.16117     2.297578 
-     160    3.6521859   -1742.3401    1326.8812   -3069.2213    539.49044            0   -43.846659     154369.1   -157933.96   -3549.2196    18059.707    296.95874    444.11026    2.0644677 
-     180     4.033325   -1895.1332    1224.1816   -3119.3148    555.27887            0   -18.261233    154275.94   -157932.27   -3762.2304    18545.518    273.97437    409.78413     1.806893 
-     200    4.4333398   -2004.4682    1176.8828    -3181.351     565.0443            0   0.21425471    154190.38   -157936.99   -4346.6036    18973.342    263.38879    393.94856    1.7400558 
-     220    4.8055639   -2094.1888    1098.3856   -3192.5744    592.45764            0     36.50238    154113.36   -157934.89   -4135.0794    19341.735    245.82095    367.67707     1.617053 
-     240    5.1688328   -2178.9829    1086.8322   -3265.8151    617.63697            0    96.836936    153957.27   -157937.56   -4121.5262      19651.8    243.23528    363.77401    1.6722646 
-     260    5.5313618   -2264.8265    1078.4348   -3343.2613    663.35817            0    167.76882    153763.13   -157937.52   -3799.3346    19907.052    241.35592    360.97385    1.6377289 
-     280    5.8937738   -2325.7764    1097.4356    -3423.212    717.74089            0     235.0127    153562.96   -157938.92   -3696.0526    20111.414    245.60833    367.31076    1.7042318 
-     300     6.254128   -2390.4932    1068.1054   -3458.5986    751.64681            0    295.31516    153435.34    -157940.9   -3512.2095    20268.754    239.04419    357.49427     1.665921 
-     320    6.6138928   -2455.1776    1041.7419   -3496.9195     765.8972            0    331.14997       153345   -157938.97   -3020.0674    20383.474    233.14397    348.62385    1.7179273 
-     340    6.9748628   -2536.9935    1050.7304   -3587.7239    793.64536            0    352.69908    153205.74   -157939.81   -3447.9127    20457.612    235.15562     351.6381    1.7214573 
-     360    7.3319299   -2603.5606    966.90943     -3570.47    819.14306            0    391.00909    153158.89   -157939.51    -3164.629    20490.764    216.39631    323.51872    1.7254892 
-     380     7.691319    -2594.787    1024.7927   -3619.5797    836.44816            0    434.32118    153047.12   -157937.47   -2902.9345    20485.923    229.35071    342.91482    1.7641915 
-     400     8.044276   -2647.3896    982.46478   -3629.8543    864.59805            0    479.08516     152963.5   -157937.04   -2535.9236    20447.668    219.87764    328.69587    1.8030508 
-     420    8.3971269   -2687.5263    1023.0437     -3710.57    928.04551            0    538.49845    152760.83   -157937.94   -2383.6292    20380.427    228.95928    342.31215    1.8044964 
-     440     8.753284   -2765.2192    999.28342   -3764.5026    966.26754            0    577.15359    152631.24   -157939.17   -2391.0923    20286.676    223.64168    334.34309    1.7947669 
-     460    9.1102748   -2806.7385    1004.2311   -3810.9696    996.86893            0    599.41867    152532.79   -157940.05   -2476.5754    20168.782    224.74899    335.97767    1.8475589 
-     480     9.471664   -2830.2582    1013.6925   -3843.9506    1009.5553            0    624.64584    152464.58   -157942.73   -2210.7254    20027.747    226.86645    339.14841    1.8588685 
-     500    9.8365009   -2865.4993     1024.473   -3889.9723    1017.2606            0    658.56598    152375.13   -157940.93   -2047.5735    19865.992    229.27916    342.78576    1.8103481 
-     520    10.207523   -2918.9299    973.10292   -3892.0328     1049.357            0    699.16951    152300.27   -157940.83   -1453.4121    19688.211    217.78243    325.51403    1.8799495 
-     540    10.583098   -2970.1121    925.84385    -3895.956    1077.9578            0    758.25478    152208.67   -157940.84   -821.19447    19499.417    207.20575    309.67486    1.8442683 
-     560    10.962813   -3008.9942    954.33133   -3963.3255    1114.7309            0    751.85274    152112.75   -157942.66   -1023.0801    19304.314    213.58131    319.23167    1.8463043 
-     580    11.351938   -3069.9822    951.38041   -4021.3626    1127.8186            0    765.20411    152027.82    -157942.2   -954.30565    19101.694    212.92089    318.20155    1.9391088 
-     600     11.74351   -3090.3867    973.25557   -4063.6423    1123.3487            0    744.86978    152009.46   -157941.32   -1226.2333    18891.444    217.81659     325.5949    1.8227604 
-     620    12.138507   -3114.2347    1002.2136   -4116.4483    1159.4812            0    766.24573    151899.05   -157941.23   -1406.6638    18672.922    224.29746    335.32178    1.8002314 
-     640     12.53874   -3160.3172    973.01388   -4133.3311    1181.5814            0    805.79135    151821.94   -157942.65   -1444.0821    18448.163     217.7625    325.51017    1.8464735 
-     660    12.945363   -3185.1871    975.57462   -4160.7618    1177.1798            0    795.84414    151809.59   -157943.38   -962.08053    18220.064     218.3356    326.36793    1.8252243 
-     680    13.358243   -3226.8034    977.21534   -4204.0187    1215.3088            0     862.3869    151662.05   -157943.76   -538.09214    17991.009     218.7028    326.90984    1.8513045 
-     700    13.774714   -3267.0358    979.72611   -4246.7619    1229.2873            0    878.80049    151588.58   -157943.43    -526.4724    17765.058    219.26471    327.74412      1.86738 
-     720    14.198356   -3275.0063    987.91851   -4262.9248    1260.2342            0    905.19546    151515.01   -157943.36   -285.51035    17544.004    221.09819    330.48021    1.8901628 
-     740    14.624448   -3298.9204      992.679   -4291.5994    1283.7665            0    917.78414    151449.24   -157942.39    351.98558    17329.448     222.1636    332.09658     1.843264 
-     760     15.05056   -3316.7113    1010.6458   -4327.3571    1296.6728            0     951.2091    151368.47   -157943.71    419.51796    17123.095    226.18459    338.07068    1.9518407 
-     780    15.504961   -3294.5707    1053.9493     -4348.52     1300.722            0    975.60682    151317.15      -157942    1040.7668    16927.715    235.87602    352.49204    2.1793007 
-     800    15.933704   -3363.0539    987.22337   -4350.2773    1325.1641            0     1013.664    151255.26   -157944.36    1462.6199      16747.7    220.94262    330.24432    1.8985721 
-     820    16.364414   -3437.2117     980.5397   -4417.7514    1350.8684            0     1029.953    151144.46   -157943.03    817.95684    16584.026     219.4468     327.9943    1.9129039 
-     840    16.799625   -3465.5868    981.23685   -4446.8236    1388.7125            0    1043.4314    151066.43    -157945.4    1366.0731    16434.707    219.60282    328.17006    2.0308095 
-     860    17.241996   -3460.2301    1020.3681   -4480.5981    1418.4709            0    1090.9207    150954.21    -157944.2    1450.0443    16300.524    228.36046    341.31823    2.0218282 
-     880    17.688347   -3499.5491    994.43799   -4493.9871    1444.4283            0     1113.276    150893.43   -157945.12    2227.6739    16183.439    222.55726    332.59403    2.0408296 
-     900    18.136371   -3526.9176    952.87144    -4479.789    1443.8422            0    1118.5107    150902.72   -157944.87    2220.1643    16085.505    213.25458    318.69359    1.9574553 
-     920    18.599828   -3545.2479    976.95271   -4522.2006    1443.4309            0    1118.3924    150859.69   -157943.71    2107.6215    16006.466    218.64402    326.75181    1.9926282 
-     940    19.064528   -3560.4406    994.62379   -4555.0644    1431.3624            0    1098.4902    150860.38    -157945.3    1495.9356     15944.46    222.59885    332.62316    2.0953461 
-     960    19.529192    -3590.569    964.78915   -4555.3582    1431.9284            0    1092.1793    150866.87   -157946.34    1559.1687    15897.003    215.92179     322.6406    2.0442546 
-     980    19.991661   -3599.6592    986.56344   -4586.2227    1435.7543            0    1034.8682    150889.35    -157946.2    679.01087    15862.242    220.79492    330.01359    1.9307016 
-    1000    20.427668   -3634.9266    939.78172   -4574.7083    1424.4834            0     1022.664    150924.73   -157946.59    733.04572    15834.345    210.32508    314.30018    1.9584145 
-    1020    20.873712    -3669.298    934.76265   -4604.0606       1452.3            0    1016.3445    150873.46   -157946.16    143.60284    15811.749     209.2018    312.55492    2.0808526 
-    1040    21.319204   -3682.4175    935.86127   -4618.2788    1447.0344            0    1035.4526    150844.58   -157945.34    515.93558    15792.261    209.44767    312.98247    1.9790896 
-    1060    21.766855   -3704.0833    901.03929   -4605.1226    1476.4857            0     1067.779    150794.42    -157943.8    1092.0636    15777.267    201.65444     301.3325    1.8948719 
-    1080    22.214459   -3699.4923    921.66268    -4621.155    1475.7351            0    1079.7576     150767.2   -157943.85    1003.4205    15769.569       206.27    308.27973    1.8458618 
-    1100    22.662445   -3667.6761    957.47147   -4625.1476    1507.2355            0    1102.9252    150708.15   -157943.46    927.20789    15768.898    214.28408    320.17339    2.0742837 
-    1120    23.085055   -3668.1399    935.38917   -4603.5291    1507.3367            0    1080.9826     150753.9   -157945.75    810.87137    15775.175    209.34202    312.79082    2.0279075 
-    1140    23.534417   -3710.7149    937.22068   -4647.9356    1499.5413            0    1020.4759    150776.54   -157944.49   -138.27816    15786.277    209.75191    313.34734    2.1346658 
-    1160    23.985544   -3711.7493    900.74897   -4612.4983    1430.3269            0    990.84122    150911.11   -157944.78    8.4592568    15798.538    201.58947    301.24561    1.8661211 
-    1180    24.439474   -3729.7115    928.82825   -4658.5398    1435.7711            0    937.43508    150913.97   -157945.72   -905.33202    15809.125    207.87367    310.65722    1.8872897 
-    1200    24.895124   -3738.2838    909.79315    -4648.077    1436.4199            0    938.10918     150922.8   -157945.41   -1112.9968    15812.511    203.61357    304.28121    1.8714711 
-    1220    25.352201   -3757.8302    907.08742   -4664.9176    1424.1514            0    930.13653    150924.86   -157944.06   -1078.0621    15807.893    203.00803    303.40134    1.8521625 
-    1240    25.780748   -3778.5355    905.88168   -4684.4171    1453.9568            0    959.37689    150846.21   -157943.96   -975.25032    15795.393    202.73818    303.00695     1.778808 
-    1260    26.238145   -3773.7584    879.94641   -4653.7048    1473.5812            0      1002.67    150815.41   -157945.36   -360.58922    15776.466    196.93381     294.2433    1.9174557 
-    1280    26.696751   -3755.4956    904.13603   -4659.6316    1493.7103            0    1017.8327    150773.94   -157945.12   -256.88128    15755.525     202.3475    302.35592    1.9294965 
-    1300    27.158244   -3754.9246    903.51795   -4658.4425    1498.1329            0    1006.1786    150782.15    -157944.9    -455.2258    15732.436    202.20917    302.19365    1.8353806 
-    1320    27.619539   -3758.1232    913.25769   -4671.3808    1500.2049            0    1032.0703    150739.71   -157943.37   -251.62277    15706.775    204.38895    305.38485    1.9968111 
-    1340    28.079132   -3784.7481    937.61449   -4722.3626    1505.7439            0    993.46365    150723.27   -157944.84    -853.9871     15680.38    209.84005    313.60153    1.8911101 
-    1360    28.514251   -3808.7787    864.89279   -4673.6715    1475.0618            0    1009.2569    150785.65   -157943.64   -331.64382    15650.208    193.56478    289.20988    1.8929896 
-    1380    28.975972   -3798.7281     892.2622   -4690.9903     1465.561            0    993.58051    150793.83   -157943.96   -567.64508    15617.156    199.69011    298.39786    1.8757635 
-    1400    29.439238   -3807.9228    893.51775   -4701.4406    1459.3875            0    1000.4434    150784.38   -157945.65   -456.80001    15580.856    199.97111    298.79789     1.925086 
-    1420    29.904427   -3818.6783    890.66153   -4709.3398    1515.8208            0    1064.6851    150655.36   -157945.21    450.86768     15542.76    199.33188    297.83132     1.927452 
-    1440    30.368352    -3822.016    910.79285   -4732.8089    1539.2325            0    1076.0339    150597.99   -157946.07    429.02044    15506.302    203.83731    304.53724    2.0216852 
-    1460    30.835555   -3821.2117    931.47963   -4752.6914    1540.1582            0    1089.9477    150561.76   -157944.55    645.54716     15472.89    208.46705    311.56653    1.8487206 
-    1480    31.306455    -3838.255    920.25737   -4758.5124    1546.6509            0    1107.4468    150533.86   -157946.47    556.76352    15443.298    205.95549    307.74395    1.9637305 
-    1500    31.747528   -3839.4323    942.18813   -4781.6204    1557.1836            0    1105.7209    150502.68   -157947.21    535.34633    15417.723    210.86364    315.07463    2.0384198 
-    1520    32.218974    -3827.551    925.42642   -4752.9774    1555.4578            0     1097.174    150540.89    -157946.5    680.16246        15396    207.11233    309.42351    2.0793499 
-    1540    32.691924   -3836.1802    885.40721   -4721.5874    1558.3851            0    1144.6478    150521.13   -157945.75    1216.5367    15378.972    198.15595    296.02524     2.015983 
-    1560    33.164075   -3830.4342    955.31807   -4785.7523    1574.0464            0    1105.7294    150481.06   -157946.59    169.17645    15369.126    213.80214     319.4694    2.0400237 
-    1580    33.636497   -3808.4082    948.31996   -4756.7281    1556.8058            0    1079.1205     150552.4   -157945.06    603.87966    15363.124    212.23595    317.13706    2.0112224 
-    1600    34.111529   -3835.9681    925.63461   -4761.6027    1575.0508            0    1091.3896    150517.16    -157945.2    356.94873    15359.871    207.15893    309.60148    1.8514712 
-    1620    34.558112   -3865.8357    866.45292   -4732.2886    1577.3357            0    1137.1716    150497.63   -157944.43    945.81112    15359.844    193.91394    289.72922    1.8926829 
-    1640    35.029171   -3849.5025    884.49282   -4733.9954    1547.0606            0    1101.4292    150561.92   -157944.41    703.96326    15365.598    197.95131    295.76038     1.913597 
-    1660    35.495665   -3861.3162    906.62112   -4767.9373    1547.2773            0    1074.8986    150555.48    -157945.6    46.512723    15375.298    202.90367     303.1667    1.9573677 
-    1680    35.959871   -3857.7679     907.8657   -4765.6336    1547.7327            0    1089.3299    150543.52   -157946.22    383.48079    15386.165    203.18221     303.5736    2.0202069 
-    1700    36.428885   -3869.0902    891.82145   -4760.9117    1512.1728            0    1012.6239    150658.31   -157944.02   -488.95961    15397.869    199.59147    298.24425    1.8990607 
-    1720    36.903833   -3870.4685    893.82411   -4764.2926    1485.7646            0    989.27762    150706.25   -157945.59   -542.70653    15406.338    200.03967    298.80302    2.1113341 
-    1740    37.380529   -3847.3408    893.93384   -4741.2746    1509.8117            0    1031.6641    150663.04   -157945.79    -307.1162    15410.521    200.06423    298.90093    2.0090208 
-    1760    37.827319    -3840.438    868.84851   -4709.2865     1474.404            0     1018.599     150744.2   -157946.49   -276.44721    15412.838    194.45008    290.51398    1.9203414 
-    1780    38.297568   -3842.0322    910.50606   -4752.5383    1494.2187            0    1002.3762    150696.05   -157945.18   -585.57252    15412.983    203.77313    304.47127    1.9624414 
-    1800     38.76671   -3861.9431    881.98228   -4743.9254    1471.6721            0    978.01808    150752.55   -157946.17   -711.07254    15409.636    197.38944    294.90206    1.9749925 
-    1820    39.233968   -3890.8613    856.10452   -4746.9658    1505.1405            0     991.9875    150701.72   -157945.82   -509.17282    15401.428    191.59795    286.24213    1.9311068 
-    1840    39.704207   -3860.2881    907.57785    -4767.866    1492.5264            0    999.80677    150685.45   -157945.65   -697.50098    15387.414    203.11779    303.52338    1.9123566 
-    1860    40.174673   -3879.0681    938.58496    -4817.653    1532.9628            0    1046.6919    150550.41   -157947.72   -311.83188     15369.15    210.05724    313.84514    2.0580305 
-    1880    40.646746   -3871.1182    925.64972   -4796.7679    1531.6363            0    1064.5321    150553.96    -157946.9     136.0161    15350.638    207.16231    309.48972    2.0957912 
-    1900    41.120691   -3868.9005     949.1652   -4818.0657    1593.1686            0    1150.4095    150384.01   -157945.65    753.94006    15333.301    212.42512    317.39691    2.0615952 
-    1920     41.59464   -3868.6343    954.03473    -4822.669    1610.5603            0    1192.2159    150320.88   -157946.33    1209.5547    15321.106    213.51493    319.06152     2.011006 
-    1940    42.037294   -3884.0548    926.13369   -4810.1885    1595.5448            0    1167.6153    150372.25    -157945.6    1289.8018    15318.433    207.27062    309.70304    1.9619634 
-    1960    42.507917    -3889.403    953.52537   -4842.9284    1598.8799            0    1116.9498    150388.89   -157947.65    327.93587    15323.804    213.40093     318.9112    1.9579466 
-    1980    42.973861   -3911.0951    911.40927   -4822.5043    1553.4244            0    1085.4519    150485.64   -157947.02    169.14591    15332.113    203.97527    304.77814    1.9637281 
-    2000     43.43889   -3892.0279    902.31728   -4794.3452    1534.2125            0     1088.703    150530.25   -157947.51    473.37009    15341.654    201.94046    301.71557    1.9929295 
-Loop time of 43.4389 on 4 procs for 2000 steps with 2500 atoms
-
-Pair  time (%) = 30.8131 (70.9343)
-Bond  time (%) = 0.0167851 (0.0386406)
-Kspce time (%) = 2.78529 (6.41196)
-Neigh time (%) = 2.7229 (6.26835)
-Comm  time (%) = 2.36382 (5.4417)
-Outpt time (%) = 0.00704503 (0.0162182)
-Other time (%) = 4.72998 (10.8888)
-
-Nlocal:    625 ave 641 max 600 min
-Histogram: 1 0 0 0 0 0 0 2 0 1
-Nghost:    13465.2 ave 13518 max 13362 min
-Histogram: 1 0 0 0 0 0 1 0 0 2
-Neighs:    585334 ave 608376 max 546210 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-
-Total # of neighbors = 2341334
-Ave neighs/atom = 936.534
-Ave special neighs/atom = 4
-Neighbor list builds = 100
-Dangerous builds = 7
-
diff --git a/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.1 b/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.1
deleted file mode 100644
index 5180a5ff69..0000000000
--- a/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.1
+++ /dev/null
@@ -1,236 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/coul/long 12.0 12.0
-kspace_style pppm 1.0e-3
-
-read_data data.swm4-ndp
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  2500 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  2000 bonds
-  reading angles ...
-  500 angles
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  3 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-pair_coeff    1    1      0.210939     3.183950  # ODw ODw
-pair_coeff    *   2*      0.000000     0.0
-
-group ATOMS type 1:3
-2000 atoms in group ATOMS
-group CORES type 1
-500 atoms in group CORES
-group DRUDES type 4
-500 atoms in group DRUDES
-
-variable TK equal 300.0
-variable TDK equal 1.0
-variable PBAR equal 1.0
-
-neighbor 2.0 bin
-
-timestep 1.0
-
-fix DRUDE all drude C N N D
-
-velocity ATOMS create ${TK} 12345
-velocity ATOMS create 300 12345
-velocity DRUDES create ${TDK} 12345
-velocity DRUDES create 1 12345
-
-delete_bonds ATOMS multi
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 3375 1000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 14
-  2000 total bonds, 500 turned on, 1500 turned off
-  500 total angles, 0 turned on, 500 turned off
-  0 total dihedrals, 0 turned on, 0 turned off
-  0 total impropers, 0 turned on, 0 turned off
-
-comm_modify vel yes
-compute TATOM ATOMS temp/com
-compute TEMP all temp/drude
-
-fix DTDIR all drude/transform/direct
-fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
-500 rigid bodies with 2000 atoms
-  0.832099 = max distance from body owner to body atom
-fix_modify RIGID temp TATOM press thermo_press
-WARNING: Temperature for fix modify is not for group all (../fix_rigid_nh_small.cpp:1395)
-fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
-fix NVT DRUDES nvt temp 1 ${TDK} 100.0
-fix NVT DRUDES nvt temp 1 1 100.0
-fix DTINV all drude/transform/inverse
-
-thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
-thermo 20
-
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 3375 1000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Memory usage per processor = 24.8361 Mbytes
-Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp TEMP[1] TEMP[2] 
-       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
-      20    1.5779378    3742.6839    5338.7884   -1596.1045    567.30749            0    662.23765    155098.36   -157924.01    31679.424    13979.574    1194.8318    1690.2246    201.65659 
-      40    3.2595179    2752.8331    4407.7651    -1654.932    793.00135            0    870.33079    154593.76   -157912.03    27394.571     14278.56    986.46688    1450.7477    55.932382 
-      60    4.9160559     1995.591    3982.0372   -1986.4462    660.67737            0    750.60932    154536.67    -157934.4    22230.527    14691.401     891.1881    1315.7324    40.317107 
-      80    6.5368109    1376.4607    3451.5429   -2075.0822    617.73899            0     606.3673    154625.69   -157924.88     17342.36    15201.343    772.46238    1147.1933    21.455584 
-     100    8.1206679    885.61474    3037.6308   -2152.0161    536.23281            0    448.92334    154793.04   -157930.22     13263.15    15783.251    679.82802    1011.6854      14.7536 
-     120    9.6622779    487.58833    2926.9844    -2439.396    534.45257            0    332.92672    154624.58   -157931.35    8680.1072    16409.225    655.06511     977.0118    9.8615914 
-     140    11.151044    159.92993    2531.0941   -2371.1641    507.26614            0    248.61605     154802.7   -157929.75    6399.7614    17052.819    566.46405    845.55948    7.1402545 
-     160    12.594065   -100.92554    2408.1685   -2509.0941    490.99513            0    134.36067    154800.59   -157935.04    3836.8939     17698.15    538.95306    805.19219    5.3968881 
-     180     13.99897   -313.40437    2221.7416   -2535.1459    469.97779            0    75.805558    154853.24   -157934.17    1959.0151    18334.826    497.23032    743.14066    4.4151864 
-     200    15.366489   -490.94535    2067.2605   -2558.2059    455.16264            0    77.545085    154841.14   -157932.06    1193.2843    18956.449    462.65715     691.7234    3.5993432 
-     220    16.600555   -642.90899    1962.7268   -2605.6358      481.409            0     64.82886    154779.27   -157931.14    257.97318    19559.017    439.26229    657.06726    2.7738353 
-     240    17.905356   -770.44499     1795.759    -2566.204    467.25833            0     68.82314    154829.98   -157932.26    19.366424    20139.417    401.89456    601.24562    2.3886434 
-     260    19.179106   -878.63388    1752.9497   -2631.5836    476.38325            0    71.933328    154747.16   -157927.06   -779.27927    20696.165    392.31375    587.06527    2.0260796 
-     280    20.338816   -971.86313    1649.5511   -2621.4143    473.83718            0    58.460942     154779.6   -157933.32   -1008.6839     21226.44    369.17293     552.5314    1.7176302 
-     300    21.569212   -1057.5245    1580.9766   -2638.5012    480.33124            0    92.042617    154721.84   -157932.72   -1273.0871    21728.981    353.82581    529.63244    1.5049172 
-     320    22.749114   -1132.8131    1507.0527   -2639.8658    477.51281            0    107.39942    154707.48   -157932.26   -1098.1682    22203.702    337.28149    504.90539    1.3591193 
-     340    23.866651   -1199.4814    1495.1233   -2694.6047    479.99745            0    106.51864    154656.08    -157937.2   -1429.2857    22652.428    334.61166    500.95977    1.2462004 
-     360    25.082959   -1264.8469    1440.8985   -2705.7454    491.71868            0    107.29672     154624.8   -157929.57   -1584.3973    23073.056    322.47604    482.79111    1.2009575 
-     380    26.115491   -1323.6479     1376.047    -2699.695     497.4857            0    130.64748    154603.75   -157931.58   -1822.0261    23465.375    307.96215    461.10877    1.0530068 
-     400    27.098619   -1373.3921     1374.977   -2748.3691    504.29487            0    124.46131    154555.55   -157932.67   -2021.5919    23828.229    307.72267    460.78429   0.98399317 
-     420    28.070089   -1426.0355    1375.3813   -2801.4168      515.478            0    142.00079    154473.71   -157932.61   -2208.8244     24160.02    307.81316    460.97813   0.86759754 
-     440    29.088747   -1476.2448    1329.2669   -2805.5117    535.72651            0     196.6858     154393.5   -157931.42   -1618.3009    24460.675    297.49266    445.47247   0.93805929 
-     460    30.039555   -1527.7744    1320.4118   -2848.1861    568.66085            0    263.35802    154252.43   -157932.64   -1494.5444    24734.828    295.51087    442.54962   0.84234766 
-     480     30.98472   -1576.2009    1300.9323   -2877.1332    594.86236            0    314.31593    154144.87   -157931.19   -1089.6762    24985.934    291.15132    436.02273   0.82622001 
-     500    31.921181   -1626.4788    1317.6697   -2944.1486    623.62396            0    334.61944    154026.32   -157928.71   -1168.0859    25218.234    294.89719    441.63818   0.82542904 
-     520    32.850868    -1678.487    1262.6568   -2941.1438    633.47682            0    363.44379    153992.91   -157930.98   -1163.3304    25431.978    282.58518    423.21273   0.76490406 
-     540    33.831238   -1726.1374    1271.5003   -2997.6376    640.74261            0    345.52688    153948.98   -157932.89   -1537.3705    25626.826    284.56437    426.19842   0.72713952 
-     560    34.751061   -1771.2597     1269.233   -3040.4927    644.30805            0     317.8435    153929.28   -157931.92   -1722.5181    25799.253    284.05695    425.41542   0.77189915 
-     580    35.665466   -1815.0265     1246.413   -3061.4395    683.24088            0    371.72686    153815.69    -157932.1   -1494.5382    25947.498    278.94979    417.73291   0.82565978 
-     600    36.573731   -1858.3541    1196.3137   -3054.6678    696.06741            0    437.52527    153744.09   -157932.35   -954.95797    26075.526    267.73745    400.95599   0.76490653 
-     620    37.479106   -1899.6548    1179.8195   -3079.4743    696.68256            0    400.17078    153755.86   -157932.18    -1545.546    26187.542    264.04602    395.42296   0.76404516 
-     640    38.439799   -1936.5953    1175.0129   -3111.6082    690.67817            0    392.53009    153736.67   -157931.49   -1651.1722    26278.598    262.97029    393.82361   0.73771389 
-     660    39.342719   -1974.4946     1176.582   -3151.0766    687.10898            0    368.78109    153725.56   -157932.53   -1642.1352    26346.954    263.32147    394.35652   0.72471807 
-     680    40.233007   -2011.9427    1170.7634   -3182.7062     704.7553            0    376.83243    153670.03   -157934.32   -1891.1355    26391.697    262.01926    392.39338   0.74699214 
-     700    41.124436   -2051.0351    1135.0688   -3186.1039    725.49013            0    408.02789    153612.64   -157932.26    -1554.558    26411.443    254.03072    380.39243   0.79925352 
-     720    42.014817   -2087.2728    1127.2712    -3214.544    747.73788            0    483.80639    153486.98   -157933.07   -1246.9189    26409.313    252.28561    377.77086   0.81053421 
-     740    42.908141   -2122.8783    1145.0602   -3267.9385    791.69089            0    545.96341    153327.46   -157933.05   -1064.8488    26390.224    256.26683    383.71741   0.85313379 
-     760    43.799068   -2155.8658    1189.0654   -3344.9312    789.63603            0    492.27945    153309.89   -157936.74   -1502.4138     26356.52    266.11528     398.4847   0.84422302 
-     780    44.690825   -2197.1759    1166.0016   -3363.1774    813.89866            0    521.14986    153239.56   -157937.79   -1316.1431    26304.488    260.95354    390.75511   0.82849551 
-     800     45.65434   -2236.6034    1147.1342   -3383.7376    858.77647            0    581.50775    153111.46   -157935.49   -1059.9568    26235.547    256.73099     384.3699   0.93971538 
-     820    46.655089   -2273.5686    1128.3309   -3401.8996    876.66305            0     635.8842    153020.42   -157934.87   -522.03009     26154.47    252.52277    378.09253   0.87820184 
-     840    47.581215   -2310.5392    1107.1453   -3417.6845       906.73            0    663.59923    152946.29   -157934.31   -660.73299    26066.561    247.78139    370.96848    0.9116362 
-     860    48.461532   -2342.7319    1130.0857   -3472.8176    942.10066            0     680.8635    152839.09   -157934.87   -541.95751    25971.767    252.91551    378.61448    1.0117334 
-     880    49.348792   -2377.0856    1100.1359   -3477.2215    941.37588            0    700.77054    152814.73    -157934.1   -443.18233    25871.504    246.21267    368.56741    1.0107473 
-     900    50.240716   -2408.6694    1120.4615    -3529.131    953.77939            0    683.49952    152768.93   -157935.34   -805.27426    25765.603    250.76159    375.35036    1.0825367 
-     920    51.130132   -2442.8312    1111.7289     -3554.56    950.77289            0    674.01395     152754.6   -157933.95   -905.29746    25651.192    248.80721    372.46424    0.9955159 
-     940     52.02236   -2475.7651    1083.1001   -3558.8652    929.08218            0    652.94438    152792.16   -157933.05   -788.57962    25527.175    242.40003     362.8243    1.0666862 
-     960    52.924057   -2508.9913    1065.8755   -3574.8668    958.92048            0    698.81111    152699.64   -157932.24   -628.47136    25394.225    238.54512    356.97396    1.2103698 
-     980    53.828788   -2536.4577    1080.5323     -3616.99    965.47688            0    709.51639    152642.64   -157934.62   -711.96055    25254.689    241.82535    361.89287    1.2066617 
-    1000    54.736123   -2567.3495    1049.6524   -3617.0019    961.00327            0    711.26219    152645.74   -157935.01   -767.44539    25108.887    234.91437    351.52221    1.2288643 
-    1020    55.707224   -2595.1206    1073.4918   -3668.6124    974.79134            0    682.20149    152609.52   -157935.12   -1086.5823    24955.503    240.24966    359.53972    1.1890491 
-    1040    56.677394   -2626.5258    1072.5969   -3699.1227    1013.3934            0    711.73335    152511.92   -157936.17   -993.59976    24792.452    240.04939    359.23966    1.1887504 
-    1060    57.582305   -2655.4118    1059.0687   -3714.4806    1011.7018            0    747.43846    152460.24   -157933.86   -555.51961    24621.133    237.02176     354.6316    1.3280226 
-    1080    58.451085   -2684.3286    1093.9034    -3778.232    1041.5624            0    765.98574    152348.29   -157934.07   -993.29607    24444.559    244.81782    366.39031     1.183205 
-    1100    59.320593   -2716.1558    1073.5935   -3789.7493    1046.6309            0     741.4524    152358.32   -157936.15   -1031.9439    24260.537    240.27243      359.559    1.2187426 
-    1120    60.197434   -2748.4358    1043.9493   -3792.3851    1050.7685            0    732.61894    152361.65   -157937.42   -1173.2273    24068.431      233.638    349.62448    1.1977845 
-    1140    61.088693   -2777.1545    1036.6106   -3813.7651     1060.884            0    757.21086    152307.36   -157939.22   -1043.4335    23867.228    231.99557    347.17994    1.1628589 
-    1160    62.010573   -2805.5456    1027.0164   -3832.5621    1057.9262            0    777.84714    152269.56   -157937.89   -729.25379    23659.194    229.84839    343.97766    1.1301417 
-    1180    62.973114   -2832.7144    1030.8608   -3863.5752    1084.2376            0    767.80175    152221.94   -157937.56   -1365.8515    23446.354    230.70875    345.24169    1.1814637 
-    1200    63.943778   -2860.0062    1032.0824   -3892.0886    1078.2587            0    781.38106    152185.86   -157937.59   -1050.1069    23225.033    230.98216    345.65138    1.1817665 
-    1220    64.923382   -2887.3006    1026.4756   -3913.7762    1073.1543            0    809.51178    152141.13   -157937.57    -956.1976    22997.996    229.72734    343.81693    1.0887098 
-    1240    65.912183   -2912.0696    1020.0729   -3932.1425    1095.3889            0      826.297    152085.57    -157939.4   -534.84968    22767.897     228.2944    341.63565      1.15531 
-    1260    66.908861   -2938.0025    1009.7902   -3947.7927    1120.1948            0    846.76965    152025.28   -157940.04   -581.84084    22538.229    225.99312    338.22714    1.0731061 
-    1280    67.970707   -2960.3724    1046.6347   -4007.0071    1144.3297            0    866.43256    151921.62   -157939.39   -368.35961    22310.088      234.239    350.59018    1.0681573 
-    1300    68.984941   -2983.8905    1039.0599   -4022.9504    1162.4788            0    878.40157    151876.66   -157940.49    -408.4644    22085.613    232.54373    348.07145    1.0232144 
-    1320    70.043952   -3009.5808     969.8918   -3979.4726    1186.5907            0    935.08613    151836.22   -157937.36     431.8242    21865.457    217.06378    324.88371   0.98977725 
-    1340    71.117119   -3028.1057    1016.1027   -4044.2084    1215.7197            0    933.65661    151744.63   -157938.22   -118.90908    21653.612    227.40587    340.39676   0.96927182 
-    1360     72.19871   -3048.8293    986.21586   -4035.0452    1231.0917            0    974.10814    151697.47   -157937.72     485.3122    21448.458    220.71713    330.39668   0.91660237 
-    1380    73.289545   -3067.6975    1046.3647   -4114.0622     1252.358            0    948.20869    151626.66   -157941.29   -131.77945    21251.912    234.17856    350.55699   0.95332826 
-    1400    74.389534   -3091.6437     1003.804   -4095.4478    1223.2343            0    914.21639    151708.69   -157941.59   -228.59592    21060.319     224.6534    336.27611   0.95868112 
-    1420    75.496459   -3117.9845    1017.2871   -4135.2716    1252.8701            0    934.95412    151617.13   -157940.22   -328.62774    20872.161    227.67095    340.80959   0.93833238 
-    1440    76.611495   -3137.2342    990.73612   -4127.9703    1224.5861            0    925.81135    151661.05   -157939.42   -23.294916    20687.614    221.72878    331.93708   0.86871384 
-    1460     77.73649   -3159.4947     1040.535   -4200.0297     1218.936            0    881.92261    151636.87   -157937.75   -581.29505    20507.346    232.87387    348.59778   0.96029886 
-    1480    78.872562   -3183.8273    1037.9432   -4221.7705    1246.5207            0    908.21966    151561.59    -157938.1   -884.42345     20328.04    232.29381     347.7323   0.95226246 
-    1500    80.110645   -3206.5826    1008.5663   -4215.1489    1236.8936            0    929.15034    151558.28   -157939.47   -91.502556    20149.349     225.7192    337.88949   0.92718943 
-    1520    81.168804   -3228.1152     994.3422   -4222.4574    1276.2214            0    948.25706    151492.45   -157939.39   -262.49453    19974.554    222.53583    333.16141   0.83959152 
-    1540    82.328931   -3248.9878    997.70762   -4246.6954    1273.2453            0    944.04689    151475.31    -157939.3   -310.12487    19802.717    223.28901    334.28865   0.84316615 
-    1560    83.500822   -3268.9264    1001.6639   -4270.5903    1283.2174            0    972.25539    151413.47   -157939.53   -368.92162    19633.499    224.17444    335.57814   0.91870789 
-    1580    84.681217   -3289.8506    972.05937   -4261.9099     1290.892            0    995.40503    151394.08   -157942.29     309.3174    19467.313    217.54888    325.64947   0.91261747 
-    1600    85.872982   -3306.0485     999.0593   -4305.1078    1336.2852            0    1018.2817    151281.27   -157940.94    78.176324    19307.332    223.59152    334.68976   0.94786237 
-    1620    87.166941    -3323.911    1023.7518   -4347.6628    1346.5659            0    1012.0297    151235.76   -157942.02    401.58054    19152.885    229.11774    342.98696   0.92107142 
-    1640    88.373719   -3346.3201    1013.0953   -4359.4153    1368.3551            0    1038.3633    151174.74   -157940.87    115.49888    19004.339     226.7328    339.39185   0.96123977 
-    1660    89.588199   -3366.6764    980.18808   -4346.8645    1385.5623            0    1066.3348    151143.21   -157941.97    785.51107    18860.969     219.3681    328.38652   0.89253119 
-    1680    90.812635   -3382.4343    999.75094   -4382.1852    1367.9173            0    1045.8848    151142.33   -157938.32    549.73441    18726.008    223.74631      334.953   0.88544944 
-    1700    92.044767   -3400.8462    996.00209   -4396.8483    1351.6629            0    1019.0394    151174.27   -157941.83    32.327852     18598.28    222.90731    333.67893   0.91827006 
-    1720    93.284649   -3418.3313    989.38116   -4407.7125    1347.9882            0    1026.3475    151161.41   -157943.46    700.69172    18474.978    221.42553    331.45637   0.92100955 
-    1740    94.538928   -3435.1347    964.16624    -4399.301    1357.6456            0    1051.1466    151135.74   -157943.84    477.68306      18358.2    215.78238      322.997   0.92157841 
-    1760     95.90276   -3452.4681    996.08241   -4448.5506    1365.9896            0    1001.3994    151128.36    -157944.3   -77.655143    18246.618    222.92529    333.72093   0.88815023 
-    1780    97.200704   -3470.0186    947.16368   -4417.1823    1357.1769            0    1006.9477    151162.27   -157943.57    100.19368      18137.3    211.97718     317.3159   0.87577473 
-    1800    98.461648   -3484.6818    988.75293   -4473.4348    1367.5971            0     995.1924    151106.14   -157942.36   -208.37477    18030.204    221.28494    331.23294   0.94635825 
-    1820    99.729642   -3503.5324     959.4974   -4463.0298    1386.9033            0    1035.1867    151057.26   -157942.38    196.09637    17924.392    214.73749    321.44422   0.89454363 
-    1840    101.00392   -3518.4137    985.10207   -4503.5157     1425.227            0    1062.1927    150951.14   -157942.08    189.40933    17821.795    220.46787    330.02248   0.91769756 
-    1860    102.28783   -3531.6076    978.71334   -4510.3209    1447.6145            0    1081.8026     150905.2   -157944.94    369.13672    17723.495    219.03805    327.84302   0.99005655 
-    1880    103.57975   -3546.6803    982.10151   -4528.7818    1416.6032            0    1040.8725    150959.42   -157945.68    206.83653    17629.384    219.79633    328.97668    0.9960403 
-    1900    104.81168   -3563.7438    961.75306   -4525.4969    1426.2883            0    1055.2567    150936.42   -157943.46    223.06115    17537.856    215.24231    322.15829   0.97986655 
-    1920    106.04042   -3579.7815     953.8957   -4533.6772     1420.242            0    1053.3469    150938.67   -157945.93    264.48404    17448.909    213.48382    319.52979   0.96489929 
-    1940    107.27692   -3592.4628    995.11883   -4587.5816    1434.5738            0    1036.2736    150885.59   -157944.02   -203.71783    17362.885    222.70964    333.32982    1.0238542 
-    1960    108.52049   -3607.1225     959.8186   -4566.9411     1454.811            0    1091.6157    150830.59   -157943.96    412.09226    17278.194    214.80937    321.46995    1.0586113 
-    1980    109.76987   -3621.5836    950.82575   -4572.4094    1481.3655            0    1148.5036     150742.3   -157944.58    1156.6083    17197.362    212.79675    318.42806    1.1085537 
-    2000    111.02457   -3632.4321    939.77229   -4572.2044    1484.3457            0    1154.0077    150733.65   -157944.21    1008.3019    17124.028    210.32297     314.7467    1.0548599 
-Loop time of 111.025 on 1 procs for 2000 steps with 2500 atoms
-
-Pair  time (%) = 87.5509 (78.8572)
-Bond  time (%) = 0.0493031 (0.0444073)
-Kspce time (%) = 3.35179 (3.01896)
-Neigh time (%) = 9.36055 (8.43106)
-Comm  time (%) = 0.69479 (0.625798)
-Outpt time (%) = 0.0108259 (0.00975088)
-Other time (%) = 10.0064 (9.01281)
-
-Nlocal:    2500 ave 2500 max 2500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    20348 ave 20348 max 20348 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    2.09326e+06 ave 2.09326e+06 max 2.09326e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 2093261
-Ave neighs/atom = 837.304
-Ave special neighs/atom = 4
-Neighbor list builds = 120
-Dangerous builds = 16
-
diff --git a/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.4 b/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.4
deleted file mode 100644
index eb91fb883c..0000000000
--- a/examples/USER/drude/swm4-ndp/log.swm4-ndp.nh.8Jul15.linux.4
+++ /dev/null
@@ -1,236 +0,0 @@
-LAMMPS (8 Jul 2015)
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/coul/long 12.0 12.0
-kspace_style pppm 1.0e-3
-
-read_data data.swm4-ndp
-  orthogonal box = (-12 -12 -12) to (12 12 12)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  2500 atoms
-  scanning bonds ...
-  1 = max bonds/atom
-  scanning angles ...
-  1 = max angles/atom
-  reading bonds ...
-  2000 bonds
-  reading angles ...
-  500 angles
-  4 = max # of 1-2 neighbors
-  3 = max # of 1-3 neighbors
-  3 = max # of 1-4 neighbors
-  4 = max # of special neighbors
-
-pair_coeff    1    1      0.210939     3.183950  # ODw ODw
-pair_coeff    *   2*      0.000000     0.0
-
-group ATOMS type 1:3
-2000 atoms in group ATOMS
-group CORES type 1
-500 atoms in group CORES
-group DRUDES type 4
-500 atoms in group DRUDES
-
-variable TK equal 300.0
-variable TDK equal 1.0
-variable PBAR equal 1.0
-
-neighbor 2.0 bin
-
-timestep 1.0
-
-fix DRUDE all drude C N N D
-
-velocity ATOMS create ${TK} 12345
-velocity ATOMS create 300 12345
-velocity DRUDES create ${TDK} 12345
-velocity DRUDES create 1 12345
-
-delete_bonds ATOMS multi
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 1500 300
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  master list distance cutoff = 14
-  2000 total bonds, 500 turned on, 1500 turned off
-  500 total angles, 0 turned on, 500 turned off
-  0 total dihedrals, 0 turned on, 0 turned off
-  0 total impropers, 0 turned on, 0 turned off
-
-comm_modify vel yes
-compute TATOM ATOMS temp/com
-compute TEMP all temp/drude
-
-fix DTDIR all drude/transform/direct
-fix RIGID ATOMS rigid/npt/small molecule temp ${TK} ${TK} 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 ${TK} 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso ${PBAR} ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 ${PBAR} 500
-fix RIGID ATOMS rigid/npt/small molecule temp 300 300 100 iso 1 1 500
-500 rigid bodies with 2000 atoms
-  0.832099 = max distance from body owner to body atom
-fix_modify RIGID temp TATOM press thermo_press
-WARNING: Temperature for fix modify is not for group all (../fix_rigid_nh_small.cpp:1395)
-fix NVT DRUDES nvt temp ${TDK} ${TDK} 100.0
-fix NVT DRUDES nvt temp 1 ${TDK} 100.0
-fix NVT DRUDES nvt temp 1 1 100.0
-fix DTINV all drude/transform/inverse
-
-thermo_style custom step cpu etotal ke pe ebond eangle evdwl ecoul elong press vol temp c_TEMP[1] c_TEMP[2]
-thermo 20
-
-run 2000
-PPPM initialization ...
-  G vector (1/distance) = 0.217457
-  grid = 10 10 10
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.197288
-  estimated relative force accuracy = 0.000594128
-  using double precision FFTs
-  3d grid and FFT values/proc = 1500 300
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 4
-New max number of 1-2 to 1-4 neighbors: 4 (+0)
-Memory usage per processor = 15.0906 Mbytes
-Step CPU TotEng KinEng PotEng E_bond E_angle E_vdwl E_coul E_long Press Volume Temp TEMP[1] TEMP[2] 
-       0            0    4568.0415    903.41148      3664.63    623.46454            0    2890.2449    157955.66   -157804.74    244591.08        13824    202.18534    295.64644    14.858785 
-      20   0.60629702    3742.7991    5338.7966   -1595.9975    567.29055            0    662.23349    155098.48      -157924    31679.046    13979.575    1194.8336    1690.2267    201.65776 
-      40    1.2431891    2752.9388    4407.9332   -1654.9944    792.86725            0    870.27523    154593.92   -157912.06    27392.302    14278.564     986.5045    1450.7624    56.079837 
-      60     1.875339    1995.9775     3980.851   -1984.8735    660.64216            0    750.43214    154538.47   -157934.42    22242.676    14691.413    890.92262    1315.3403    40.305321 
-      80     2.471236    1377.1261    3449.7879   -2072.6618    617.64243            0    605.75693    154628.63   -157924.69    17345.214    15201.397    772.06962    1146.6088     21.44718 
-     100    3.0357449    886.38995    3038.4108   -2152.0208    537.89929            0    450.99962    154789.13   -157930.05    13299.227    15783.335    680.00257    1011.6773    15.016231 
-     120     3.585844      488.055    2928.1336   -2440.0786    536.23164            0    334.88597    154620.05   -157931.25    8694.3472    16409.509     655.3223    977.40122    9.8538294 
-     140     4.117424    160.14918    2538.5116   -2378.3624    509.19396            0    249.89205    154793.34   -157930.79    6363.1137    17053.486     568.1241    847.92526    7.2744139 
-     160    4.6321139   -103.57595    2403.1613   -2506.7372    494.69822            0    144.07174    154790.83   -157936.34    4017.2005    17699.095    537.83243    803.44775    5.3901399 
-     180     5.126441   -315.61252    2216.7944   -2532.4069    477.29447            0    80.852363    154842.41   -157932.96    1958.1627    18336.716    496.12314     741.4685     4.440167 
-     200    5.6090059   -490.61276    2058.9074   -2549.5202    470.23217            0    80.799455    154831.63   -157932.18    1260.1943    18960.132    460.78771    688.92684    3.5878733 
-     220    6.0495639   -644.09355    2001.1189   -2645.2125    494.11524            0    53.071997    154741.65   -157934.05   -16.373549    19564.819    447.85452    669.94663    2.7746068 
-     240    6.5042329   -773.76581    1911.0759   -2684.8417    491.56501            0    36.579309    154722.88   -157935.86   -773.18555    20144.755    427.70271    639.97688    2.2989541 
-     260    6.9512041     -886.818    1719.7038   -2606.5218    462.97731            0    47.595907    154814.45   -157931.55   -696.23419    20696.487    384.87324    575.96351    1.9229602 
-     280    7.3921249   -983.57561    1659.2167   -2642.7923    476.06924            0    65.542713    154749.27   -157933.68   -1099.4208    21220.613     371.3361    555.78067    1.7042918 
-     300    7.8054619   -1069.4015     1531.598   -2600.9995    487.38132            0    130.06616    154709.03   -157927.47   -548.86446    21717.521    342.77477    513.11788    1.4030219 
-     320    8.2272029   -1144.9139     1562.933   -2707.8469    509.00464            0    127.16899    154591.31   -157935.33   -1516.7077    22190.692    349.78761    523.61225    1.4145866 
-     340    8.6145689   -1216.4369    1511.7737   -2728.2106    518.42214            0    144.71934    154541.92   -157933.27    -1345.493    22636.556    338.33806    506.55234    1.2328234 
-     360    9.0159991   -1279.8637    1435.4044   -2715.2681    525.01973            0    153.83119    154536.21   -157930.33    -1447.797    23056.471    321.24646     480.9789    1.1390786 
-     380    9.4004741   -1340.2241    1391.5909    -2731.815    536.93555            0    180.52081    154483.31   -157932.58   -1315.0222    23450.141     311.4409    466.34776     1.004293 
-     400    9.7971771   -1398.7544    1401.1636    -2799.918    547.12264            0    190.99461    154394.23   -157932.27   -1686.7786    23818.238     313.5833    469.59825   0.92621346 
-     420    10.175245   -1450.5676    1355.0166   -2805.5842    555.43355            0    178.57277    154392.99   -157932.58   -1948.3006    24158.665     303.2555    454.12588   0.90821389 
-     440    10.550016   -1501.2755    1336.6037   -2837.8792    573.29095            0    195.76657    154324.78   -157931.72    -1845.698    24470.004    299.13465    447.99648    0.8127319 
-     460     10.93798   -1551.1246    1327.3311   -2878.4557    580.57019            0    206.92238    154267.88   -157933.83   -2059.7154    24752.911    297.05944    444.88976   0.80466605 
-     480    11.304226   -1597.9166     1280.274   -2878.1906    596.27629            0     247.5201    154210.94   -157932.93   -1714.1239    25006.108    286.52794    429.10945   0.79188456 
-     500     11.66949   -1645.4221    1303.9947   -2949.4168    620.22431            0    275.42964    154086.38   -157931.45   -1833.6239    25232.592    291.83668    437.06941   0.78754301 
-     520    12.030775   -1692.7733    1261.2365   -2954.0098    639.32812            0    295.13753    154045.85   -157934.32   -1715.0443    25432.412    282.26732    422.73896   0.75950535 
-     540    12.389967   -1739.3602    1247.1301   -2986.4903    666.88476            0    341.37591    153937.16   -157931.91   -1556.9492    25607.225    279.11027    418.00746   0.75767537 
-     560    12.765452   -1783.4916    1212.3647   -2995.8563    669.09681            0      366.501    153899.16   -157930.62   -1543.0147    25758.368     271.3297    406.37068   0.70509124 
-     580    13.122579   -1824.6061    1200.7205   -3025.3267    699.41498            0    409.47507    153794.95   -157929.16   -1053.8519    25887.592    268.72372    402.43012   0.77346975 
-     600     13.47702   -1864.0982    1206.4231   -3070.5213     726.9912            0    439.25863     153695.5   -157932.27   -1130.6737      26000.4    269.99996    404.33899   0.78190692 
-     620     13.82937   -1902.6883     1167.061   -3069.7493    741.54351            0    453.21801    153667.95   -157932.46   -921.61026    26097.341    261.19065    391.14672    0.7561126 
-     640    14.180362   -1941.2814    1168.4808   -3109.7622     758.6291            0    484.81029    153578.39   -157931.59   -1084.6877    26180.233    261.50841    391.64626   0.70968727 
-     660    14.527615   -1977.9114    1159.1979   -3137.1094    746.51288            0     452.2958    153598.59   -157934.51   -1424.6628     26247.07    259.43088    388.52145   0.73088365 
-     680    14.875155   -2015.8231     1149.125   -3164.9481    730.41157            0    417.95266    153620.83   -157934.15   -1485.3138    26293.983    257.17653      385.144   0.72723522 
-     700     15.22063   -2052.4439    1175.9011    -3228.345    735.43016            0    393.72125    153577.95   -157935.44   -1936.2883    26318.916    263.16908    394.10321   0.77446426 
-     720    15.565813   -2092.4868    1137.4051    -3229.892    739.27374            0    431.22089    153537.92    -157938.3   -1669.6367     26318.64     254.5536    381.18868   0.77432854 
-     740    15.926298   -2128.2671    1117.2535   -3245.5206    763.39303            0     451.2336    153475.75   -157935.89   -1554.5185    26294.984    250.04362    374.42691   0.77695221 
-     760    16.273413   -2164.5578    1132.9117   -3297.4695    791.93983            0    493.17297    153351.43   -157934.01   -1464.3621    26250.086    253.54797    379.63211   0.87260304 
-     780    16.620524   -2201.7367    1138.2941   -3340.0308    832.89022            0    542.69718    153217.14   -157932.76   -1185.0268    26186.538    254.75255    381.43046   0.88724559 
-     800    16.968419   -2236.9734    1127.0464   -3364.0197    849.94855            0    579.03844    153137.36   -157930.36    -957.1991    26107.922    252.23529    377.65702    0.8873688 
-     820    17.320858   -2274.0191    1152.6791   -3426.6982    878.53555            0    605.98285    153020.89    -157932.1   -1004.5494    26016.264    257.97196    386.24526   0.90940959 
-     840    17.671788   -2312.5555    1157.6702   -3470.2257    915.53242            0    653.69994    152892.11   -157931.56   -793.45868    25912.528    259.08897    387.88866   0.97141875 
-     860    18.021136   -2351.0088    1136.5124   -3487.5212    921.37408            0    665.09396    152857.19   -157931.18   -528.38134    25800.163    254.35382    380.78143   0.98986969 
-     880    18.370286   -2387.3364    1155.2826    -3542.619    934.02359            0    660.06761    152795.05   -157931.76   -775.58796    25681.702    258.55463    386.99987    1.1470186 
-     900    18.737898   -2425.9324    1151.5543   -3577.4867    936.00838            0    670.95003    152749.78   -157934.22   -883.49007    25555.357    257.72021    385.72656    1.1920669 
-     920     19.09607    -2461.264     1119.906     -3581.17     931.8496            0     682.4928     152739.5   -157935.01   -890.93067    25420.635    250.63726    375.12148    1.1675653 
-     940     19.45002   -2496.7293    1081.4763   -3578.2056    971.61744            0    731.21429    152653.33   -157934.36    -483.6151    25277.795    242.03662    362.20568    1.2144341 
-     960    19.805087    -2527.097     1111.841    -3638.938     964.7058            0    704.68407    152623.89   -157932.22   -841.64397    25129.524     248.8323    372.33505    1.3291216 
-     980    20.160533   -2560.1354    1096.9132   -3657.0486    954.19645            0    693.42648    152627.51   -157932.19    -949.1276    24974.275    245.49142     367.3853    1.2126954 
-    1000    20.518917   -2592.9079    1053.7186   -3646.6266    959.23242            0    684.31399    152644.74   -157934.91   -869.15319    24811.035     235.8244    352.90011    1.2013298 
-    1020    20.849072    -2623.091    1066.4493   -3689.5404    998.09604            0    709.32917     152535.4   -157932.37   -881.38225    24640.265    238.67355    357.17132    1.2006706 
-    1040    21.194962    -2652.822     1083.618     -3736.44      1011.32            0    727.70427    152458.99   -157934.45    -815.2175    24461.841    242.51594    362.90994    1.2429114 
-    1060    21.530151   -2683.6347    1074.3994   -3758.0341    1029.3659            0    763.93884     152381.4   -157932.73   -616.78933    24277.069    240.45279    359.82116     1.235143 
-    1080    21.868091   -2715.2991    1094.3032   -3809.6022    1068.1764            0    785.28284    152272.57   -157935.63   -541.23611    24088.232     244.9073    366.48583    1.2604348 
-    1100    22.209137   -2747.0371    1066.1644   -3813.2016    1080.2369            0    833.94072    152208.13   -157935.51   -217.98411    23897.246    238.60979     357.0619    1.2283546 
-    1120    22.551618   -2774.9066    1084.3361   -3859.2427     1113.055            0    847.43384    152114.69   -157934.42   -77.787494    23707.475    242.67665    363.13214    1.2803322 
-    1140    22.899431     -2803.21    1072.4113   -3875.6213    1090.9217            0    807.02034    152161.17   -157934.73   -668.47773    23520.606    240.00786    359.14316    1.2572349 
-    1160    23.252016   -2834.8697    1052.5943    -3887.464    1096.5034            0    789.77107    152162.88   -157936.62   -589.78074    23331.777    235.57277    352.55512    1.1369148 
-    1180    23.609597   -2863.7817    1031.8109   -3895.5926    1087.1932            0    789.79657    152165.44   -157938.03   -586.94333    23140.391    230.92139    345.60929    1.0837566 
-    1200    23.970129   -2891.3631     1042.111   -3933.4741    1093.7082            0    775.83298     152136.1   -157939.12   -1109.7168    22947.229    233.22659    349.07035    1.0726257 
-    1220      24.3333   -2919.3393    1043.3795   -3962.7187    1095.6802            0    760.56643    152121.29   -157940.25   -1189.6331    22748.747    233.51046    349.50414    1.0560945 
-    1240    24.699158   -2942.4201    1015.5889    -3958.009    1114.7861            0    821.20595    152042.69   -157936.69   -581.49954    22545.116    227.29088     340.1868    1.0444581 
-    1260     25.06694   -2965.9906    1011.5209   -3977.5115    1137.3984            0    850.69736    151972.34   -157937.95   -557.09399    22340.759    226.38045    338.85243   0.98374803 
-    1280    25.506043   -2989.5484    1016.7798   -4006.3282    1160.9102            0    882.24024     151890.5   -157939.98   -93.844073    22136.859    227.55742    340.60408    1.0089629 
-    1300    25.885481   -3011.5964    1043.7628   -4055.3592    1184.2311            0     891.6381    151808.85   -157940.08   -307.32007    21936.757    233.59626     349.6133    1.0504806 
-    1320    26.286564   -3035.1132    1037.5333   -4072.6466     1179.597            0    903.59052    151784.33   -157940.16    -91.53774    21739.794    232.20209    347.62923    0.8833997 
-    1340    26.707803   -3061.1043    1034.7198   -4095.8241    1231.5568            0    955.77666    151655.57   -157938.72    53.261099    21546.978    231.57242    346.58931    1.0307605 
-    1360    27.133179    -3085.252    983.77833   -4069.0303     1230.971            0    968.86383    151669.63    -157938.5    197.66951    21360.266    220.17161    329.49241     1.002352 
-    1380    27.554558   -3101.9696    1037.9918   -4139.9614    1216.6215            0    897.01691    151685.79   -157939.39   -392.64446     21180.32     232.3047    347.61632    1.0380526 
-    1400    27.956349   -3124.8379     1003.328   -4128.1659    1199.4883            0    863.54306    151748.07   -157939.27   -548.32584    21003.378    224.54686    336.16828   0.85494391 
-    1420    28.361482   -3146.8927    1020.9417   -4167.8344     1210.319            0    850.57584    151710.13   -157938.86   -1093.8532    20825.938    228.48885    342.04449    0.9178739 
-    1440    28.768238   -3170.6554    993.33274   -4163.9882    1239.5959            0    893.87046     151642.2   -157939.65   -436.10089    20645.122    222.30991    332.79717   0.88336557 
-    1460    29.177687   -3191.0873     980.2106   -4171.2979    1257.3639            0    955.42122    151554.27   -157938.35    -139.1763    20465.429    219.37314    328.30589   0.99602014 
-    1480    29.586943   -3208.4185    993.92387   -4202.3424    1243.9183            0    936.28667     151555.9   -157938.45    -261.1948    20289.512     222.4422    333.01034   0.85071989 
-    1500    29.995233   -3229.0775    1028.0284   -4257.1059    1272.6443            0    960.80911    151449.75   -157940.31   -307.25416    20116.744    230.07487    344.43881   0.88683413 
-    1520    30.435761   -3250.8294    998.11977   -4248.9491    1282.1976            0    990.08774    151419.81   -157941.05    64.772936    19947.298    223.38125    334.38841   0.90320757 
-    1540    30.853458   -3268.3168    1004.1599   -4272.4768    1299.4164            0    987.20608    151381.91   -157941.01    -80.22578    19782.738    224.73305    336.30685     1.007422 
-    1560    31.279241   -3289.0826    966.08591   -4255.1685    1287.1272            0    982.95309    151416.22   -157941.47     198.4371    19622.918    216.21201    323.54353   0.99939162 
-    1580    31.708028   -3306.2125    979.26815   -4285.4807    1288.5111            0    952.23769    151415.68   -157941.91   -206.26434    19467.717    219.16222     328.0518   0.90689318 
-    1600    32.140092   -3325.1219    984.21128   -4309.3331     1308.258            0    963.95207    151360.81   -157942.35   -284.04656    19314.766     220.2685    329.66568    0.9610293 
-    1620      32.5727   -3340.9024    1013.5306    -4354.433    1318.1025            0     944.3489    151325.17   -157942.05     -653.005    19163.698    226.83023    339.47468    1.0097397 
-    1640    32.982791   -3360.2312    974.13546   -4334.3667     1312.594            0    986.63361    151308.68   -157942.28    343.78235    19013.496    218.01352    326.28924   0.99083786 
-    1660    33.419277   -3375.6484    982.60503   -4358.2535    1345.3148            0    970.47388    151266.28   -157940.32   -374.81541    18867.836    219.90902    329.06869    1.0301828 
-    1680    33.858902    -3394.428    981.74052   -4376.1685    1319.3919            0    955.09161    151289.81   -157940.47    -162.3498     18724.14    219.71554    328.81202   0.99514477 
-    1700     34.30191   -3412.8462    973.87976   -4386.7259     1341.294            0    965.41854    151248.54   -157941.98   -351.70824    18582.062    217.95629    326.03525    1.1973975 
-    1720    34.776698   -3429.9352    986.76909   -4416.7043    1362.6752            0    1013.2358    151149.58    -157942.2    37.299904    18441.349    220.84095     330.4706    1.0534043 
-    1740    35.222457   -3446.5561    971.25044   -4417.8065    1381.6012            0    1046.8608    151096.61   -157942.88    336.29665    18304.289    217.36784    325.28479    1.0839935 
-    1760    35.644247   -3463.1798    999.75562   -4462.9354    1395.5442            0    1012.1296    151070.28   -157940.88   -252.71902    18172.322    223.74736    334.82695    1.1205298 
-    1780    36.095301   -3481.5453     991.5153   -4473.0606     1403.686            0    1029.7008    151037.13   -157943.57   -108.73918    18043.082    221.90316    332.00846    1.1669904 
-    1800    36.548801   -3496.9886    965.33662   -4462.3252    1390.3088            0    1050.6761    151040.12   -157943.43    539.62368    17917.488    216.04432    323.23991    1.1447201 
-    1820     37.00671    -3510.113    991.32596    -4501.439    1392.0482            0    1034.7898    151015.68   -157943.96    152.36115    17797.781    221.86078    332.04409     1.050451 
-    1840    37.465953   -3528.9352    974.95032   -4503.8855    1387.6457            0    1012.5199    151036.63   -157940.68   -250.11127    17681.765    218.19588     326.4633     1.104675 
-    1860    37.926741   -3545.3967    970.46573   -4515.8624    1391.3683            0    1035.1551    151000.11   -157942.49   -218.15781     17567.52    217.19222    325.05524    1.0190724 
-    1880    38.391252   -3561.7398    933.83134   -4495.5711     1404.458            0    1032.7156     151010.9   -157943.64   -1.9885562    17454.833    208.99337    312.70412    1.1301542 
-    1900    38.856336   -3574.6165     984.6503   -4559.2668    1422.0814            0    1060.3245    150900.79   -157942.46    190.15103     17344.24    220.36676    329.66505    1.2027369 
-    1920     39.32352   -3589.0687    963.85062   -4552.9193    1427.8662            0    1075.6986    150887.22    -157943.7    506.81653    17237.394    215.71175    322.81523    1.0733524 
-    1940     39.79544   -3604.8214    970.89136   -4575.7128     1416.926            0    1037.9197    150913.56   -157944.12   -60.261935    17135.412    217.28748    325.12481     1.144127 
-    1960    40.270815    -3620.548    963.48434   -4584.0323    1401.1546            0    1016.5609    150941.43   -157943.17   -388.03612    17035.264    215.62977    322.67138    1.1152888 
-    1980    40.749353   -3638.3971    977.90456   -4616.3017    1415.5473            0     1009.486    150904.71   -157946.04   -640.67547     16934.97    218.85705    327.48198    1.1614525 
-    2000    41.229238   -3654.2588    957.08437   -4611.3432    1418.1059            0    1031.2688    150883.23   -157943.95   -595.60403    16834.098    214.19745    320.55039    1.0631632 
-Loop time of 41.2293 on 4 procs for 2000 steps with 2500 atoms
-
-Pair  time (%) = 23.5391 (57.0932)
-Bond  time (%) = 0.0153775 (0.0372976)
-Kspce time (%) = 3.17798 (7.70806)
-Neigh time (%) = 2.51543 (6.10108)
-Comm  time (%) = 1.6585 (4.02262)
-Outpt time (%) = 0.00876421 (0.0212572)
-Other time (%) = 10.3141 (25.0165)
-
-Nlocal:    625 ave 632 max 619 min
-Histogram: 1 0 0 1 0 1 0 0 0 1
-Nghost:    12577 ave 12644 max 12511 min
-Histogram: 1 0 0 1 0 0 1 0 0 1
-Neighs:    532752 ave 581561 max 492708 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 2131009
-Ave neighs/atom = 852.404
-Ave special neighs/atom = 4
-Neighbor list builds = 120
-Dangerous builds = 16
-
diff --git a/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.1 b/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.1
new file mode 100644
index 0000000000..08cc2f0f5c
--- /dev/null
+++ b/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.1
@@ -0,0 +1,14 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 toluene system for drude polarizability example (Langevin)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+improper_style opls
+ERROR: Unknown improper style opls (src/force.cpp:634)
+Last command: improper_style opls
diff --git a/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.4 b/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.4
new file mode 100644
index 0000000000..08cc2f0f5c
--- /dev/null
+++ b/examples/USER/drude/toluene/log.27Nov18.toluene.lang.g++.4
@@ -0,0 +1,14 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 toluene system for drude polarizability example (Langevin)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+improper_style opls
+ERROR: Unknown improper style opls (src/force.cpp:634)
+Last command: improper_style opls
diff --git a/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.1 b/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.1
new file mode 100644
index 0000000000..a6807f8ee1
--- /dev/null
+++ b/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.1
@@ -0,0 +1,14 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 toluene system for drude polarizability example (Nose-Hoover)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+improper_style opls
+ERROR: Unknown improper style opls (src/force.cpp:634)
+Last command: improper_style opls
diff --git a/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.4 b/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.4
new file mode 100644
index 0000000000..a6807f8ee1
--- /dev/null
+++ b/examples/USER/drude/toluene/log.27Nov18.toluene.nh.g++.4
@@ -0,0 +1,14 @@
+LAMMPS (27 Nov 2018)
+  using 1 OpenMP thread(s) per MPI task
+# 250 toluene system for drude polarizability example (Nose-Hoover)
+
+units real
+boundary p p p
+
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style opls
+improper_style opls
+ERROR: Unknown improper style opls (src/force.cpp:634)
+Last command: improper_style opls
diff --git a/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1 b/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1
deleted file mode 100644
index bc51063341..0000000000
--- a/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1
+++ /dev/null
@@ -1,251 +0,0 @@
-LAMMPS (11 Aug 2017)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# 250 toluene system for drude polarizability example (Langevin)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-improper_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/thole/long 2.600 8.0 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.toluene extra/special/per/atom 1
-  orthogonal box = (-18.2908 -18.1636 -18.223) to (18.3357 18.1621 18.3287)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  5500 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  8 = max dihedrals/atom
-  scanning impropers ...
-  2 = max impropers/atom
-  reading bonds ...
-  5500 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6000 dihedrals
-  reading impropers ...
-  1500 impropers
-  5 = max # of 1-2 neighbors
-  10 = max # of 1-3 neighbors
-  16 = max # of 1-4 neighbors
-  20 = max # of special neighbors
-
-comm_modify vel yes
-
-group gTOLUENE molecule 1:250
-5500 atoms in group gTOLUENE
-group gCORES type 1 2 3 4 5 6 7
-3750 atoms in group gCORES
-group gDRUDES type 8 9 10 11 12
-1750 atoms in group gDRUDES
-
-pair_coeff    1    1 0.069998 3.550000 1.620000 # CAT CAT
-pair_coeff    1    2 0.069998 3.550000 1.620000 # CAT CAO
-pair_coeff    1    3 0.069998 3.550000 1.620000 # CAT CAM
-pair_coeff    1    4 0.069998 3.550000 1.620000 # CAT CAP
-pair_coeff    1    5 0.067968 3.524911 1.620000 # CAT CTT
-pair_coeff    1    6 0.045825 2.931041 0.000000 # CAT HAT
-pair_coeff    1    7 0.045825 2.931041 0.000000 # CAT HT
-pair_coeff    2    2 0.069998 3.550000 1.620000 # CAO CAO
-pair_coeff    2    3 0.069998 3.550000 1.620000 # CAO CAM
-pair_coeff    2    4 0.069998 3.550000 1.620000 # CAO CAP
-pair_coeff    2    5 0.067968 3.524911 1.620000 # CAO CTT
-pair_coeff    2    6 0.045825 2.931041 0.000000 # CAO HAT
-pair_coeff    2    7 0.045825 2.931041 0.000000 # CAO HT
-pair_coeff    3    3 0.069998 3.550000 1.620000 # CAM CAM
-pair_coeff    3    4 0.069998 3.550000 1.620000 # CAM CAP
-pair_coeff    3    5 0.067968 3.524911 1.620000 # CAM CTT
-pair_coeff    3    6 0.045825 2.931041 0.000000 # CAM HAT
-pair_coeff    3    7 0.045825 2.931041 0.000000 # CAM HT
-pair_coeff    4    4 0.069998 3.550000 1.620000 # CAP CAP
-pair_coeff    4    5 0.067968 3.524911 1.620000 # CAP CTT
-pair_coeff    4    6 0.045825 2.931041 0.000000 # CAP HAT
-pair_coeff    4    7 0.045825 2.931041 0.000000 # CAP HT
-pair_coeff    5    5 0.065997 3.500000 1.620000 # CTT CTT
-pair_coeff    5    6 0.044496 2.910326 0.000000 # CTT HAT
-pair_coeff    5    7 0.044496 2.910326 0.000000 # CTT HT
-pair_coeff    6    6 0.029999 2.420000 0.000000 # HAT HAT
-pair_coeff    6    7 0.029999 2.420000 0.000000 # HAT HT
-pair_coeff    7    7 0.029999 2.420000 0.000000 # HT HT
-pair_coeff    1    8 0.000000 0.000000 1.620000 # CAT D_CAT
-pair_coeff    1    9 0.000000 0.000000 1.620000 # CAT D_CAO
-pair_coeff    1   10 0.000000 0.000000 1.620000 # CAT D_CAM
-pair_coeff    1   11 0.000000 0.000000 1.620000 # CAT D_CAP
-pair_coeff    1   12 0.000000 0.000000 1.620000 # CAT D_CTT
-pair_coeff    2    8 0.000000 0.000000 1.620000 # CAO D_CAT
-pair_coeff    2    9 0.000000 0.000000 1.620000 # CAO D_CAO
-pair_coeff    2   10 0.000000 0.000000 1.620000 # CAO D_CAM
-pair_coeff    2   11 0.000000 0.000000 1.620000 # CAO D_CAP
-pair_coeff    2   12 0.000000 0.000000 1.620000 # CAO D_CTT
-pair_coeff    3    8 0.000000 0.000000 1.620000 # CAM D_CAT
-pair_coeff    3    9 0.000000 0.000000 1.620000 # CAM D_CAO
-pair_coeff    3   10 0.000000 0.000000 1.620000 # CAM D_CAM
-pair_coeff    3   11 0.000000 0.000000 1.620000 # CAM D_CAP
-pair_coeff    3   12 0.000000 0.000000 1.620000 # CAM D_CTT
-pair_coeff    4    8 0.000000 0.000000 1.620000 # CAP D_CAT
-pair_coeff    4    9 0.000000 0.000000 1.620000 # CAP D_CAO
-pair_coeff    4   10 0.000000 0.000000 1.620000 # CAP D_CAM
-pair_coeff    4   11 0.000000 0.000000 1.620000 # CAP D_CAP
-pair_coeff    4   12 0.000000 0.000000 1.620000 # CAP D_CTT
-pair_coeff    5    8 0.000000 0.000000 1.620000 # CTT D_CAT
-pair_coeff    5    9 0.000000 0.000000 1.620000 # CTT D_CAO
-pair_coeff    5   10 0.000000 0.000000 1.620000 # CTT D_CAM
-pair_coeff    5   11 0.000000 0.000000 1.620000 # CTT D_CAP
-pair_coeff    5   12 0.000000 0.000000 1.620000 # CTT D_CTT
-pair_coeff    8    8 0.000000 0.000000 1.620000 # D_CAT D_CAT
-pair_coeff    8    9 0.000000 0.000000 1.620000 # D_CAT D_CAO
-pair_coeff    8   10 0.000000 0.000000 1.620000 # D_CAT D_CAM
-pair_coeff    8   11 0.000000 0.000000 1.620000 # D_CAT D_CAP
-pair_coeff    8   12 0.000000 0.000000 1.620000 # D_CAT D_CTT
-pair_coeff    9    9 0.000000 0.000000 1.620000 # D_CAO D_CAO
-pair_coeff    9   10 0.000000 0.000000 1.620000 # D_CAO D_CAM
-pair_coeff    9   11 0.000000 0.000000 1.620000 # D_CAO D_CAP
-pair_coeff    9   12 0.000000 0.000000 1.620000 # D_CAO D_CTT
-pair_coeff   10   10 0.000000 0.000000 1.620000 # D_CAM D_CAM
-pair_coeff   10   11 0.000000 0.000000 1.620000 # D_CAM D_CAP
-pair_coeff   10   12 0.000000 0.000000 1.620000 # D_CAM D_CTT
-pair_coeff   11   11 0.000000 0.000000 1.620000 # D_CAP D_CAP
-pair_coeff   11   12 0.000000 0.000000 1.620000 # D_CAP D_CTT
-pair_coeff   12   12 0.000000 0.000000 1.620000 # D_CTT D_CTT
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C C C C N N D D D D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 4 6 7 8
-  1250 = # of size 2 clusters
-  0 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nve
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.382011
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0325934
-  estimated relative force accuracy = 9.8154e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 19
-New max number of 1-2 to 1-4 neighbors: 20 (+1)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-  binsize = 5, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut/thole/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 42.06 | 42.06 | 42.06 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
-       0            0    14386.197    2910.7282    202.07402    11475.469    6565.4851    20.333365 1.0706727e-06 1.3894617e-07    4972.8631    1306116.6   -1306199.8     40273.68    48631.318    314.89553    3.1777821 
-      50     4.311986    8083.3901    4729.9995    328.37487    3353.3906    1812.5186    685.40417    646.10358    50.083281    804.80656    1305984.8   -1306630.3    16960.287    48631.318    448.67988    116.22125 
-     100     8.756623    6206.7865     3683.944    255.75365    2522.8425    977.52675    777.45439    838.58809    68.086914    471.97862    1306097.1   -1306707.9    15657.142    48631.318    380.53159    35.760643 
-     150    13.134938    5386.0219     3582.482    248.70976    1803.5399    752.25928    803.04832    643.43249     49.76684    131.97853    1306139.2   -1306716.2    15140.102    48631.318    383.61303    10.880935 
-     200    17.508189    4846.4097    3254.3932    225.93257    1592.0166    700.43329    812.26722    657.52279    51.044716   -64.045174    1306160.5   -1306725.7    13844.277    48631.318    351.90677    3.8489009 
-     250    21.871676     4473.215    3091.5333     214.6262    1381.6817    688.24707    842.63267    590.45999     48.22798   -214.02425    1306156.6   -1306730.5    8808.7402    48631.318    335.32872    1.8372171 
-     300    26.226064    4191.8834    2883.8468     200.2078    1308.0367    734.36657    856.15482    584.87904    47.590787   -343.44615    1306163.4   -1306734.9    3389.3777    48631.318    313.03581    1.3011826 
-     350    30.568716    3972.0739    2756.8392    191.39044    1215.2347     664.4688    866.06348    580.13632    48.515297    -378.8729    1306173.3   -1306738.3    8458.1149    48631.318    299.31146    1.1345329 
-     400    34.845648    3838.3528    2731.3975    189.62419    1106.9552     684.0318    870.67752    548.93014    44.038787    -460.1537    1306160.4     -1306741    6697.9188    48631.318    296.54405    1.1332149 
-     450     39.17477      3731.18    2607.8585    181.04762    1123.3216    719.57572    894.99915    571.99504    47.625227   -537.60494    1306171.9   -1306745.2    2450.4224    48631.318    283.13713    1.0721818 
-     500    43.497489    3607.0055    2565.9469    178.13796    1041.0586    717.36452    841.34375    551.39834    45.985413   -542.47313    1306170.9   -1306743.4    3077.1849    48631.318    278.59462    1.0410963 
-     550    47.812038    3513.8132    2548.7259    176.94241    965.08736    673.81272    852.38161    522.99297    44.276434   -552.27379    1306171.2   -1306747.4    4659.7275    48631.318    276.70124    1.0757459 
-     600    52.124423    3386.9627    2471.0692    171.55118    915.89348    689.99732    833.61298    517.49343    43.023588   -594.96363    1306170.6   -1306743.8    2159.7328    48631.318    268.27854    1.0287605 
-     650    56.370068    3374.3191    2413.6719    167.56644    960.64717    703.32428    874.12028    535.41271    43.256032   -617.25815    1306168.6   -1306746.8    1262.4757    48631.318    261.99584    1.0950976 
-     700    60.667476    3342.9467    2412.9563    167.51676    929.99042    683.70355    882.22521    527.03932    43.661355   -616.70117      1306161     -1306751    2950.9009    48631.318    261.92814    1.0771869 
-     750    64.964696    3327.7938    2414.3547    167.61385    913.43902    695.12778    863.48248    542.99202    46.408369   -639.60076    1306160.7   -1306755.6    1583.0277    48631.318    262.09771    1.0464936 
-     800    69.256916     3391.689    2452.2049    170.24155    939.48407     694.2176    892.61592    557.53726    45.495129   -654.56675    1306155.2     -1306751    1232.1671    48631.318    266.20601    1.0640309 
-     850    73.527972    3386.8618    2486.6928    172.63584    900.16902     696.7684    880.27643    545.11446    46.474227   -665.90464    1306154.7   -1306757.3    1129.2062    48631.318    269.97945     1.027015 
-     900    77.775993    3368.0724    2416.7145    167.77767    951.35789    718.66654    893.18396    537.79136    46.404626   -641.29596    1306152.9   -1306756.3    1673.0743    48631.318    262.34697    1.0597091 
-     950    82.028341    3300.4793    2409.5613    167.28107      890.918    728.06888    890.51193    515.08456     44.36547   -671.13741    1306142.3   -1306758.2    1038.6579    48631.318    261.57036    1.0567234 
-    1000    86.189789    3333.2955    2452.2486    170.24458    881.04692     699.8414    915.33862    506.83261     41.77374   -665.68264    1306141.6   -1306758.7    467.42142    48631.318    266.19104    1.0987814 
-    1050    90.384168      3303.87    2376.9713    165.01854    926.89875    706.12941    930.65844    524.73304    42.644613   -657.19573    1306139.3   -1306759.4    1737.6624    48631.318    258.00246    1.0954432 
-    1100    94.549452     3367.668    2454.9154    170.42973    912.75259    715.68494     935.8363    516.52205    43.261761   -671.86101    1306137.9   -1306764.6    961.79199    48631.318      266.492    1.0797548 
-    1150     98.65493    3350.0898    2485.3993    172.54604    864.69051    699.23072    933.76405    510.60424    42.381362   -684.53513    1306127.1   -1306763.8   -272.48178    48631.318    269.82496    1.0512421 
-    1200    102.82045    3309.6871    2398.9577    166.54492    910.72944    705.58979    934.53183    531.90967    45.872142   -664.58495    1306126.9   -1306769.5    627.31931    48631.318    260.41866    1.0531639 
-    1250     106.9899     3304.504    2491.6998    172.98344    812.80426    710.83366    881.33764    494.90045     41.71618   -672.49264    1306123.8   -1306767.3    136.11723    48631.318    270.51026    1.0516137 
-    1300    111.16224    3318.9543    2462.0621    170.92588    856.89219    709.17314    932.87209    503.80373    43.426006    -680.2474    1306121.2   -1306773.3    1276.2503    48631.318    267.28591    1.0510113 
-    1350    115.27184    3314.8515    2434.8483    169.03659    880.00316    710.91641    922.28347    540.40795    44.753548   -686.09335    1306124.5   -1306776.7   -438.87694    48631.318    264.31236    1.0731666 
-    1400    119.44228    3349.0785    2457.7697    170.62788    891.30875    711.28064    936.58607    516.63511    42.396287   -653.09763    1306113.8   -1306776.3    350.79618    48631.318    266.80555    1.0745043 
-    1450    123.61267    3364.1486    2459.8741    170.77397    904.27455    696.57265    946.32098    538.55368     44.69075   -652.75091      1306111   -1306780.1    502.47466    48631.318    267.03201    1.0789056 
-    1500    127.72962    3341.9369    2454.3302     170.3891    887.60672    726.46979    903.40815    557.73064    47.536125   -667.65025    1306100.7   -1306780.6    -248.0975    48631.318    266.44821     1.044725 
-    1550    131.91041    3270.4282    2437.7916    169.24093    832.63655    691.49462    910.83807    523.17366     44.83093   -654.48655    1306100.5   -1306783.7    490.32965    48631.318    264.63652    1.0662604 
-    1600     136.0834    3252.0725    2429.6805    168.67782    822.39196    689.68155    898.22828    535.31963     43.84399   -660.93277    1306100.1   -1306783.9    1729.5956    48631.318    263.74523    1.0817172 
-    1650    140.26444     3239.748    2442.6258    169.57653    797.12222     671.1832     907.1659    507.03947    43.048028   -648.14001    1306103.3   -1306786.5    970.43988    48631.318    265.15987    1.0708872 
-    1700     144.3855    3202.9157     2410.267    167.33006    792.64869    686.40974    882.40791    527.02899    43.819792   -656.82001      1306096   -1306786.2   -107.50166    48631.318    261.64368     1.062837 
-    1750    148.56592    3214.6107    2366.3264    164.27953    848.28434    696.38228    915.58636     538.2236    47.852688    -652.7697    1306093.6   -1306790.6   -164.14366    48631.318    256.84519    1.0937744 
-    1800    152.74611    3209.5771    2421.4089    168.10357    788.16819    683.61816    869.45802    532.77927    45.708374   -658.39221    1306103.1   -1306788.1    277.61781    48631.318    262.83282    1.1036154 
-    1850    156.86567    3146.3973    2362.3333    164.00232      784.064    697.87032     875.8451    523.54452    43.851379   -665.83106    1306101.5   -1306792.7    497.88657    48631.318    256.42683    1.0654271 
-    1900     161.0419    3141.5496    2367.1077    164.33378    774.44186    693.39945    878.97447    515.65653    44.619392   -668.11692    1306103.8   -1306793.9   -1427.3998    48631.318    256.94212    1.0727903 
-    1950    165.22235    3134.6473     2295.577    159.36784    839.07025    699.62719    905.76937    519.32307    46.109334   -645.08933    1306104.9   -1306791.6    1744.2846    48631.318    249.19694    1.0064565 
-    2000        169.4     3146.866    2361.3821    163.93628    785.48386    682.24124     889.6864    534.94877    46.855983    -678.1614      1306104   -1306794.1     699.8735    48631.318    256.32873    1.0559143 
-Loop time of 169.4 on 1 procs for 2000 steps with 5500 atoms
-
-Performance: 0.510 ns/day, 47.056 hours/ns, 11.806 timesteps/s
-99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 107.93     | 107.93     | 107.93     |   0.0 | 63.71
-Bond    | 19.76      | 19.76      | 19.76      |   0.0 | 11.66
-Kspace  | 34.926     | 34.926     | 34.926     |   0.0 | 20.62
-Neigh   | 1.9932     | 1.9932     | 1.9932     |   0.0 |  1.18
-Comm    | 0.73555    | 0.73555    | 0.73555    |   0.0 |  0.43
-Output  | 0.0065863  | 0.0065863  | 0.0065863  |   0.0 |  0.00
-Modify  | 3.9135     | 3.9135     | 3.9135     |   0.0 |  2.31
-Other   |            | 0.133      |            |       |  0.08
-
-Nlocal:    5500 ave 5500 max 5500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    13219 ave 13219 max 13219 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1.33739e+06 ave 1.33739e+06 max 1.33739e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1337388
-Ave neighs/atom = 243.161
-Ave special neighs/atom = 15.6364
-Neighbor list builds = 32
-Dangerous builds = 0
-Total wall time: 0:02:49
diff --git a/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4 b/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4
deleted file mode 100644
index cebe687c11..0000000000
--- a/examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4
+++ /dev/null
@@ -1,251 +0,0 @@
-LAMMPS (11 Aug 2017)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# 250 toluene system for drude polarizability example (Langevin)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-improper_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/thole/long 2.600 8.0 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.toluene extra/special/per/atom 1
-  orthogonal box = (-18.2908 -18.1636 -18.223) to (18.3357 18.1621 18.3287)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  5500 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  8 = max dihedrals/atom
-  scanning impropers ...
-  2 = max impropers/atom
-  reading bonds ...
-  5500 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6000 dihedrals
-  reading impropers ...
-  1500 impropers
-  5 = max # of 1-2 neighbors
-  10 = max # of 1-3 neighbors
-  16 = max # of 1-4 neighbors
-  20 = max # of special neighbors
-
-comm_modify vel yes
-
-group gTOLUENE molecule 1:250
-5500 atoms in group gTOLUENE
-group gCORES type 1 2 3 4 5 6 7
-3750 atoms in group gCORES
-group gDRUDES type 8 9 10 11 12
-1750 atoms in group gDRUDES
-
-pair_coeff    1    1 0.069998 3.550000 1.620000 # CAT CAT
-pair_coeff    1    2 0.069998 3.550000 1.620000 # CAT CAO
-pair_coeff    1    3 0.069998 3.550000 1.620000 # CAT CAM
-pair_coeff    1    4 0.069998 3.550000 1.620000 # CAT CAP
-pair_coeff    1    5 0.067968 3.524911 1.620000 # CAT CTT
-pair_coeff    1    6 0.045825 2.931041 0.000000 # CAT HAT
-pair_coeff    1    7 0.045825 2.931041 0.000000 # CAT HT
-pair_coeff    2    2 0.069998 3.550000 1.620000 # CAO CAO
-pair_coeff    2    3 0.069998 3.550000 1.620000 # CAO CAM
-pair_coeff    2    4 0.069998 3.550000 1.620000 # CAO CAP
-pair_coeff    2    5 0.067968 3.524911 1.620000 # CAO CTT
-pair_coeff    2    6 0.045825 2.931041 0.000000 # CAO HAT
-pair_coeff    2    7 0.045825 2.931041 0.000000 # CAO HT
-pair_coeff    3    3 0.069998 3.550000 1.620000 # CAM CAM
-pair_coeff    3    4 0.069998 3.550000 1.620000 # CAM CAP
-pair_coeff    3    5 0.067968 3.524911 1.620000 # CAM CTT
-pair_coeff    3    6 0.045825 2.931041 0.000000 # CAM HAT
-pair_coeff    3    7 0.045825 2.931041 0.000000 # CAM HT
-pair_coeff    4    4 0.069998 3.550000 1.620000 # CAP CAP
-pair_coeff    4    5 0.067968 3.524911 1.620000 # CAP CTT
-pair_coeff    4    6 0.045825 2.931041 0.000000 # CAP HAT
-pair_coeff    4    7 0.045825 2.931041 0.000000 # CAP HT
-pair_coeff    5    5 0.065997 3.500000 1.620000 # CTT CTT
-pair_coeff    5    6 0.044496 2.910326 0.000000 # CTT HAT
-pair_coeff    5    7 0.044496 2.910326 0.000000 # CTT HT
-pair_coeff    6    6 0.029999 2.420000 0.000000 # HAT HAT
-pair_coeff    6    7 0.029999 2.420000 0.000000 # HAT HT
-pair_coeff    7    7 0.029999 2.420000 0.000000 # HT HT
-pair_coeff    1    8 0.000000 0.000000 1.620000 # CAT D_CAT
-pair_coeff    1    9 0.000000 0.000000 1.620000 # CAT D_CAO
-pair_coeff    1   10 0.000000 0.000000 1.620000 # CAT D_CAM
-pair_coeff    1   11 0.000000 0.000000 1.620000 # CAT D_CAP
-pair_coeff    1   12 0.000000 0.000000 1.620000 # CAT D_CTT
-pair_coeff    2    8 0.000000 0.000000 1.620000 # CAO D_CAT
-pair_coeff    2    9 0.000000 0.000000 1.620000 # CAO D_CAO
-pair_coeff    2   10 0.000000 0.000000 1.620000 # CAO D_CAM
-pair_coeff    2   11 0.000000 0.000000 1.620000 # CAO D_CAP
-pair_coeff    2   12 0.000000 0.000000 1.620000 # CAO D_CTT
-pair_coeff    3    8 0.000000 0.000000 1.620000 # CAM D_CAT
-pair_coeff    3    9 0.000000 0.000000 1.620000 # CAM D_CAO
-pair_coeff    3   10 0.000000 0.000000 1.620000 # CAM D_CAM
-pair_coeff    3   11 0.000000 0.000000 1.620000 # CAM D_CAP
-pair_coeff    3   12 0.000000 0.000000 1.620000 # CAM D_CTT
-pair_coeff    4    8 0.000000 0.000000 1.620000 # CAP D_CAT
-pair_coeff    4    9 0.000000 0.000000 1.620000 # CAP D_CAO
-pair_coeff    4   10 0.000000 0.000000 1.620000 # CAP D_CAM
-pair_coeff    4   11 0.000000 0.000000 1.620000 # CAP D_CAP
-pair_coeff    4   12 0.000000 0.000000 1.620000 # CAP D_CTT
-pair_coeff    5    8 0.000000 0.000000 1.620000 # CTT D_CAT
-pair_coeff    5    9 0.000000 0.000000 1.620000 # CTT D_CAO
-pair_coeff    5   10 0.000000 0.000000 1.620000 # CTT D_CAM
-pair_coeff    5   11 0.000000 0.000000 1.620000 # CTT D_CAP
-pair_coeff    5   12 0.000000 0.000000 1.620000 # CTT D_CTT
-pair_coeff    8    8 0.000000 0.000000 1.620000 # D_CAT D_CAT
-pair_coeff    8    9 0.000000 0.000000 1.620000 # D_CAT D_CAO
-pair_coeff    8   10 0.000000 0.000000 1.620000 # D_CAT D_CAM
-pair_coeff    8   11 0.000000 0.000000 1.620000 # D_CAT D_CAP
-pair_coeff    8   12 0.000000 0.000000 1.620000 # D_CAT D_CTT
-pair_coeff    9    9 0.000000 0.000000 1.620000 # D_CAO D_CAO
-pair_coeff    9   10 0.000000 0.000000 1.620000 # D_CAO D_CAM
-pair_coeff    9   11 0.000000 0.000000 1.620000 # D_CAO D_CAP
-pair_coeff    9   12 0.000000 0.000000 1.620000 # D_CAO D_CTT
-pair_coeff   10   10 0.000000 0.000000 1.620000 # D_CAM D_CAM
-pair_coeff   10   11 0.000000 0.000000 1.620000 # D_CAM D_CAP
-pair_coeff   10   12 0.000000 0.000000 1.620000 # D_CAM D_CTT
-pair_coeff   11   11 0.000000 0.000000 1.620000 # D_CAP D_CAP
-pair_coeff   11   12 0.000000 0.000000 1.620000 # D_CAP D_CTT
-pair_coeff   12   12 0.000000 0.000000 1.620000 # D_CTT D_CTT
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C C C C N N D D D D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 4 6 7 8
-  1250 = # of size 2 clusters
-  0 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-fix fLANG all langevin/drude ${vTEMP} 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 ${vTEMP_D} 20.0 260514 zero yes
-fix fLANG all langevin/drude 260 100.0 200611 1 20.0 260514 zero yes
-fix fNPH all nve
-
-compute cTEMP all temp/drude
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.382011
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0325934
-  estimated relative force accuracy = 9.8154e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 34263 16000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 19
-New max number of 1-2 to 1-4 neighbors: 20 (+1)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-  binsize = 5, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut/thole/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 18 | 18 | 18 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
-       0            0    14386.197    2910.7282    202.07402    11475.469    6565.4851    20.333365 1.0706727e-06 1.3894617e-07    4972.8631    1306116.6   -1306199.8     40273.68    48631.318    314.89553    3.1777821 
-      50    1.0658228    8014.6879    4671.7498    324.33095    3342.9381    1798.7991    670.22837    651.99307    50.352024    819.34616    1305984.9   -1306632.7    17255.952    48631.318    442.52888    116.12397 
-     100     2.136163    6185.5007    3697.0414    256.66292    2488.4593    974.42931    774.88353    840.46625    66.896007    427.27085    1306105.5     -1306701    15044.739    48631.318    381.93582    35.802658 
-     150     3.202647    5418.0644    3628.2714    251.88864    1789.7929    764.02696    804.61034    641.14915    47.995428    108.05084    1306138.9   -1306714.9    15258.194    48631.318    388.65363    10.777816 
-     200    4.2728949    4838.4235    3303.8964    229.36927    1534.5271    702.10438    772.85348    625.99718    52.299187   -63.792745    1306166.5   -1306721.4    13487.722    48631.318    357.35337    3.7423617 
-     250    5.3275268    4461.2438    3084.8973    214.16551    1376.3465    693.85145    823.23815    599.85313    48.280277   -230.56822    1306167.8   -1306726.1    8779.0061    48631.318    334.59262    1.8620294 
-     300    6.3794398    4179.6462    2885.0738    200.29299    1294.5724      739.337    868.84011    555.04912    44.838819   -354.73738    1306171.3     -1306730    4410.8735    48631.318    313.17473    1.2892347 
-     350     7.427706    3934.3968    2756.2421    191.34899    1178.1546    666.16877    877.32996    548.99846    45.087026   -404.32209      1306179   -1306734.1    8477.8828    48631.318    299.22663    1.1698531 
-     400    8.4820418    3800.4769    2674.8317    185.69716    1125.6452    693.29433    841.29833    579.61438    48.325361   -470.18802    1306170.5   -1306737.2    6265.7532    48631.318    290.39105    1.1303952 
-     450     9.528651      3685.28    2616.9074    181.67583    1068.3726    702.68328    886.66644    555.74511    46.160811   -557.70651    1306176.6   -1306741.7    2701.7737    48631.318    284.11064     1.091646 
-     500    10.579133    3582.6591    2517.6443    174.78461    1065.0148    701.82101     894.9429    554.06012    46.074357   -570.49878    1306181.8   -1306743.2    3643.7426    48631.318    273.31525    1.0831346 
-     550    11.629649    3542.0402    2527.0386     175.4368    1015.0016    688.73877     916.2381    521.69932    44.014375   -580.05437      1306171   -1306746.6    2928.6632    48631.318    274.34257    1.0740018 
-     600    12.684143    3507.0443    2519.9749    174.94641    987.06936    711.58734    894.63276    525.57884    42.944226   -603.24423    1306161.2   -1306745.7    2082.9907    48631.318    273.57124    1.0784841 
-     650    13.737965    3416.2001    2445.9361    169.80635    970.26394    706.95207    891.76446    540.90369    45.970985   -626.32832    1306160.2   -1306749.2    1912.8783    48631.318     265.5023    1.1021764 
-     700    14.777375    3419.7572     2446.117    169.81891    973.64019    664.17579    936.51992    551.67148    45.696531   -634.70926    1306159.6   -1306749.4    2215.7085    48631.318    265.53614    1.0774684 
-     750    15.795347    3418.6537     2449.343    170.04287    969.31069    706.12432    899.61553    553.21874    45.793213   -642.75298    1306158.1   -1306750.8    1022.2516    48631.318    265.89304    1.0681488 
-     800    16.835794    3385.2449    2465.4963    171.16429    919.74864    692.34918    888.91243    530.24204    45.132243   -638.54787    1306154.6     -1306753    1601.1391    48631.318    267.64361    1.0797553 
-     850     17.87536    3397.1124    2426.3129    168.44403    970.79951    717.48898    878.71057    580.26487    46.675101   -646.96926    1306150.9   -1306756.3    1048.7905    48631.318    263.38063    1.0785255 
-     900    18.899639    3324.2064    2447.5004    169.91495    876.70599    683.62339    881.77789    531.98758    43.646731   -648.59248    1306144.4   -1306760.2    2221.5859    48631.318    265.69596    1.0608373 
-     950    19.938468    3316.6329    2398.6988    166.52695    917.93405    702.84237    885.96473    540.35376    45.671318   -638.80334    1306144.4   -1306762.5    1955.2237    48631.318    260.38167    1.0687233 
-    1000    20.973543    3287.4205     2384.191    165.51976    903.22949    705.56988    889.96387    535.23674    44.902139   -661.28175    1306150.4   -1306761.6    90.200683    48631.318    258.81506    1.0477545 
-    1050    21.990961    3297.7806    2392.0372    166.06448    905.74339    697.33157    889.75086     537.2395    46.319713   -636.03286    1306135.9   -1306764.8    1893.8234    48631.318    259.67633    1.0344207 
-    1100    23.006456     3240.651    2370.2217    164.54996    870.42931    693.87289     897.0846    526.89184    43.778979   -657.83716    1306132.1   -1306765.5    799.62979    48631.318    257.28711    1.0618941 
-    1150    24.014558     3232.457    2377.9797    165.08855    854.47728    692.51558    897.77048     520.3269    43.903959   -657.38369    1306126.9   -1306769.6    178.21408    48631.318    258.13876    1.0479172 
-    1200    25.010178    3238.4266    2392.0623    166.06622    846.36427    695.98996      887.237    522.01974    42.355716   -660.92843    1306124.7     -1306765    1006.1877    48631.318    259.66037    1.0698925 
-    1250     26.01949    3198.3364    2332.7551    161.94888    865.58134    690.81786    897.35028    524.47996    44.421121   -640.92419    1306116.3   -1306766.8    2073.9672    48631.318      253.227    1.0326937 
-    1300    27.026911    3237.6809    2386.3739    165.67131    851.30706    672.11785    901.04813     530.2964    44.020263   -655.33033    1306125.7   -1306766.5    579.46013    48631.318    259.05838    1.0374113 
-    1350    28.033721    3285.9536     2371.155    164.61476    914.79862    718.12968    928.41764    524.02349     43.89896   -657.10221    1306127.3   -1306769.9    518.88041    48631.318    257.36737    1.0993197 
-    1400    29.026742    3272.2173    2391.4158    166.02134    880.80147    712.59883    896.13616    532.95785    45.989768   -658.37495    1306125.6   -1306774.1     961.2067    48631.318     259.5968    1.0557033 
-    1450    30.032566    3244.2627    2356.0955    163.56926    888.16727    714.72692    901.18382    534.59787    45.517573   -655.58258    1306124.5   -1306776.8    596.10558    48631.318    255.75173     1.058657 
-    1500     31.03878    3244.8598    2408.5382    167.21004    836.32161    695.63105    867.27743    527.37333    44.496971   -648.96393    1306125.2   -1306774.7    443.71088    48631.318    261.45495    1.0648973 
-    1550    32.041435    3239.3658    2367.1336    164.33557    872.23223    704.16965     884.5938    544.41685    46.110791   -654.61963    1306124.1   -1306776.5    -446.5562    48631.318    256.96289    1.0409003 
-    1600    33.058977    3221.4258    2334.2656    162.05375     887.1602     713.8296    885.80472    533.86753    45.413663   -633.58824    1306119.6   -1306777.8    1527.9489    48631.318    253.36367    1.0817678 
-    1650    34.080875    3224.4472    2385.9055    165.63879    838.54168    681.01628    879.88017    536.75983    43.884394   -643.24788      1306114   -1306773.8    1314.2208    48631.318    258.97106    1.1033457 
-    1700    35.095047    3178.6575    2352.4294    163.31475     826.2281    700.79494    854.06687    549.39826    46.155483   -662.57181    1306115.2   -1306776.9   -187.36898    48631.318    255.35015    1.0638209 
-    1750    36.093828     3219.473    2371.9421     164.6694    847.53093    699.44953    891.26068    541.91687    45.714235   -679.13432    1306120.3   -1306771.9   -618.32924    48631.318    257.48034    1.0512601 
-    1800    37.110101    3202.0094    2371.8909    164.66585    830.11842    698.44522    858.38216    550.82008    46.315893   -667.77838    1306119.2   -1306775.3   -9.4963278    48631.318    257.46873    1.0619052 
-    1850    38.121337    3202.0111    2366.6984    164.30536    835.31277    714.69988     849.6778    553.24258    46.502994   -667.44162    1306114.9   -1306776.3    131.11108    48631.318    256.90165    1.0656162 
-    1900    39.132607    3228.7805     2365.934    164.25229    862.84648    720.68418    890.65533    554.75943    45.736726   -685.52803    1306115.1   -1306778.5   -82.525994    48631.318    256.81451    1.0726218 
-    1950    40.127507    3218.4068    2443.0023    169.60267    775.40452    673.40001    874.63022    529.69964    43.166847   -680.57322    1306115.4   -1306780.3    622.76654    48631.318    265.20173    1.0693092 
-    2000    41.138176     3257.463    2375.6246    164.92505    881.83842    677.60747    933.47776    547.01076    46.507189   -665.56273    1306123.7   -1306780.9    1829.3477    48631.318    257.88171    1.0500311 
-Loop time of 41.1383 on 4 procs for 2000 steps with 5500 atoms
-
-Performance: 2.100 ns/day, 11.427 hours/ns, 48.617 timesteps/s
-99.8% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 21.082     | 22.483     | 24.145     |  26.6 | 54.65
-Bond    | 4.9992     | 5.0781     | 5.1544     |   2.7 | 12.34
-Kspace  | 9.1202     | 10.806     | 12.272     |  39.7 | 26.27
-Neigh   | 0.45045    | 0.45076    | 0.45094    |   0.0 |  1.10
-Comm    | 0.85982    | 0.87287    | 0.88725    |   1.2 |  2.12
-Output  | 0.0036495  | 0.004005   | 0.0049655  |   0.9 |  0.01
-Modify  | 1.4009     | 1.401      | 1.4013     |   0.0 |  3.41
-Other   |            | 0.04245    |            |       |  0.10
-
-Nlocal:    1375 ave 1398 max 1361 min
-Histogram: 1 0 2 0 0 0 0 0 0 1
-Nghost:    7745.75 ave 7788 max 7697 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-Neighs:    334374 ave 348629 max 319495 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 1337494
-Ave neighs/atom = 243.181
-Ave special neighs/atom = 15.6364
-Neighbor list builds = 31
-Dangerous builds = 0
-Total wall time: 0:00:41
diff --git a/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1 b/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1
deleted file mode 100644
index 6070b858be..0000000000
--- a/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1
+++ /dev/null
@@ -1,259 +0,0 @@
-LAMMPS (11 Aug 2017)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# 250 toluene system for drude polarizability example (Nose-Hoover)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-improper_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/thole/long 2.600 8.0 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.toluene extra/special/per/atom 1
-  orthogonal box = (-18.2908 -18.1636 -18.223) to (18.3357 18.1621 18.3287)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  5500 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  8 = max dihedrals/atom
-  scanning impropers ...
-  2 = max impropers/atom
-  reading bonds ...
-  5500 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6000 dihedrals
-  reading impropers ...
-  1500 impropers
-  5 = max # of 1-2 neighbors
-  10 = max # of 1-3 neighbors
-  16 = max # of 1-4 neighbors
-  20 = max # of special neighbors
-
-comm_modify vel yes
-
-group gTOLUENE molecule 1:250
-5500 atoms in group gTOLUENE
-group gCORES type 1 2 3 4 5 6 7
-3750 atoms in group gCORES
-group gDRUDES type 8 9 10 11 12
-1750 atoms in group gDRUDES
-
-pair_coeff    1    1 0.069998 3.550000 1.620000 # CAT CAT
-pair_coeff    1    2 0.069998 3.550000 1.620000 # CAT CAO
-pair_coeff    1    3 0.069998 3.550000 1.620000 # CAT CAM
-pair_coeff    1    4 0.069998 3.550000 1.620000 # CAT CAP
-pair_coeff    1    5 0.067968 3.524911 1.620000 # CAT CTT
-pair_coeff    1    6 0.045825 2.931041 0.000000 # CAT HAT
-pair_coeff    1    7 0.045825 2.931041 0.000000 # CAT HT
-pair_coeff    2    2 0.069998 3.550000 1.620000 # CAO CAO
-pair_coeff    2    3 0.069998 3.550000 1.620000 # CAO CAM
-pair_coeff    2    4 0.069998 3.550000 1.620000 # CAO CAP
-pair_coeff    2    5 0.067968 3.524911 1.620000 # CAO CTT
-pair_coeff    2    6 0.045825 2.931041 0.000000 # CAO HAT
-pair_coeff    2    7 0.045825 2.931041 0.000000 # CAO HT
-pair_coeff    3    3 0.069998 3.550000 1.620000 # CAM CAM
-pair_coeff    3    4 0.069998 3.550000 1.620000 # CAM CAP
-pair_coeff    3    5 0.067968 3.524911 1.620000 # CAM CTT
-pair_coeff    3    6 0.045825 2.931041 0.000000 # CAM HAT
-pair_coeff    3    7 0.045825 2.931041 0.000000 # CAM HT
-pair_coeff    4    4 0.069998 3.550000 1.620000 # CAP CAP
-pair_coeff    4    5 0.067968 3.524911 1.620000 # CAP CTT
-pair_coeff    4    6 0.045825 2.931041 0.000000 # CAP HAT
-pair_coeff    4    7 0.045825 2.931041 0.000000 # CAP HT
-pair_coeff    5    5 0.065997 3.500000 1.620000 # CTT CTT
-pair_coeff    5    6 0.044496 2.910326 0.000000 # CTT HAT
-pair_coeff    5    7 0.044496 2.910326 0.000000 # CTT HT
-pair_coeff    6    6 0.029999 2.420000 0.000000 # HAT HAT
-pair_coeff    6    7 0.029999 2.420000 0.000000 # HAT HT
-pair_coeff    7    7 0.029999 2.420000 0.000000 # HT HT
-pair_coeff    1    8 0.000000 0.000000 1.620000 # CAT D_CAT
-pair_coeff    1    9 0.000000 0.000000 1.620000 # CAT D_CAO
-pair_coeff    1   10 0.000000 0.000000 1.620000 # CAT D_CAM
-pair_coeff    1   11 0.000000 0.000000 1.620000 # CAT D_CAP
-pair_coeff    1   12 0.000000 0.000000 1.620000 # CAT D_CTT
-pair_coeff    2    8 0.000000 0.000000 1.620000 # CAO D_CAT
-pair_coeff    2    9 0.000000 0.000000 1.620000 # CAO D_CAO
-pair_coeff    2   10 0.000000 0.000000 1.620000 # CAO D_CAM
-pair_coeff    2   11 0.000000 0.000000 1.620000 # CAO D_CAP
-pair_coeff    2   12 0.000000 0.000000 1.620000 # CAO D_CTT
-pair_coeff    3    8 0.000000 0.000000 1.620000 # CAM D_CAT
-pair_coeff    3    9 0.000000 0.000000 1.620000 # CAM D_CAO
-pair_coeff    3   10 0.000000 0.000000 1.620000 # CAM D_CAM
-pair_coeff    3   11 0.000000 0.000000 1.620000 # CAM D_CAP
-pair_coeff    3   12 0.000000 0.000000 1.620000 # CAM D_CTT
-pair_coeff    4    8 0.000000 0.000000 1.620000 # CAP D_CAT
-pair_coeff    4    9 0.000000 0.000000 1.620000 # CAP D_CAO
-pair_coeff    4   10 0.000000 0.000000 1.620000 # CAP D_CAM
-pair_coeff    4   11 0.000000 0.000000 1.620000 # CAP D_CAP
-pair_coeff    4   12 0.000000 0.000000 1.620000 # CAP D_CTT
-pair_coeff    5    8 0.000000 0.000000 1.620000 # CTT D_CAT
-pair_coeff    5    9 0.000000 0.000000 1.620000 # CTT D_CAO
-pair_coeff    5   10 0.000000 0.000000 1.620000 # CTT D_CAM
-pair_coeff    5   11 0.000000 0.000000 1.620000 # CTT D_CAP
-pair_coeff    5   12 0.000000 0.000000 1.620000 # CTT D_CTT
-pair_coeff    8    8 0.000000 0.000000 1.620000 # D_CAT D_CAT
-pair_coeff    8    9 0.000000 0.000000 1.620000 # D_CAT D_CAO
-pair_coeff    8   10 0.000000 0.000000 1.620000 # D_CAT D_CAM
-pair_coeff    8   11 0.000000 0.000000 1.620000 # D_CAT D_CAP
-pair_coeff    8   12 0.000000 0.000000 1.620000 # D_CAT D_CTT
-pair_coeff    9    9 0.000000 0.000000 1.620000 # D_CAO D_CAO
-pair_coeff    9   10 0.000000 0.000000 1.620000 # D_CAO D_CAM
-pair_coeff    9   11 0.000000 0.000000 1.620000 # D_CAO D_CAP
-pair_coeff    9   12 0.000000 0.000000 1.620000 # D_CAO D_CTT
-pair_coeff   10   10 0.000000 0.000000 1.620000 # D_CAM D_CAM
-pair_coeff   10   11 0.000000 0.000000 1.620000 # D_CAM D_CAP
-pair_coeff   10   12 0.000000 0.000000 1.620000 # D_CAM D_CTT
-pair_coeff   11   11 0.000000 0.000000 1.620000 # D_CAP D_CAP
-pair_coeff   11   12 0.000000 0.000000 1.620000 # D_CAP D_CTT
-pair_coeff   12   12 0.000000 0.000000 1.620000 # D_CTT D_CTT
-
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C C C C N N D D D D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 4 6 7 8
-  1250 = # of size 2 clusters
-  0 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-compute cTEMP_CORE gCORES temp/com
-compute cTEMP all temp/drude
-
-fix fDIRECT all drude/transform/direct
-fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 260 100.0
-fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 1 20.0
-fix fINVERSE all drude/transform/inverse
-
-fix fMOMENTUM all momentum 100 linear 1 1 1
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.382011
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0325934
-  estimated relative force accuracy = 9.8154e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 103823 64000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 19
-New max number of 1-2 to 1-4 neighbors: 20 (+1)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-  binsize = 5, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut/thole/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 42.06 | 42.06 | 42.06 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
-       0            0    14386.197    2910.7282    202.07402    11475.469    6565.4851    20.333365 1.0706727e-06 1.3894617e-07    4972.8631    1306116.6   -1306199.8     40273.68    48631.318    314.89553    3.1777821 
-      50     4.462481     6863.642    4633.9267    321.70512    2229.7153     735.2547     604.6946    648.35773    49.039129    824.06033    1306091.3   -1306722.9    17914.827    48631.318    504.18525 0.0086839843 
-     100    8.8666639    6628.0722    4376.1868    303.81182    2251.8853    598.11249    651.43051    919.41359    74.216826     589.6504    1306135.1     -1306716    17450.721    48631.318    476.14276 0.0075129702 
-     150    13.323556    6336.1884    4726.0692    328.10201    1610.1192    560.01225    621.30109    640.32475    45.531175    288.99128    1306173.9     -1306720    18303.624    48631.318    514.21215 0.0061921467 
-     200    17.710109    5997.6194    4565.6288    316.96362    1431.9906     524.2765    591.79843    718.11015    56.374558    88.660843      1306183   -1306730.3    17986.182    48631.318    496.75522   0.00681205 
-     250    22.154451    5648.1758    4433.1558    307.76682      1215.02    502.13687    578.85369    665.27326    49.096119   -19.019967    1306179.2   -1306740.5    11771.328    48631.318    482.34141 0.0071619539 
-     300    26.524393    5317.8584    4075.2077    282.91669    1242.6506    602.55113    637.40817    647.27074    44.769726   -123.22347    1306183.3   -1306749.5    3571.1867    48631.318     443.3952 0.0071733829 
-     350    30.881443     4996.709    3935.7988    273.23838    1060.9102    455.75196    634.36552    638.77826    45.831053    -157.6304    1306198.1   -1306754.3    13525.264    48631.318    428.22739 0.0063722044 
-     400    35.218285    4695.9297    3742.6585    259.82983    953.27122    457.49584    620.73047    591.94411    42.495713   -183.91838    1306186.7   -1306762.2    10901.217    48631.318    407.21326  0.005787501 
-     450    39.545502    4417.8027    3513.6374     243.9303    904.16528    519.61263    580.76003    624.06933    45.631271   -286.60025    1306184.3   -1306763.6    2956.9012    48631.318    382.29486 0.0057536613 
-     500    43.868895    4165.0012    3333.7203    231.43976    831.28089     465.5234    579.36085    580.60005     42.34515   -254.82269    1306183.9   -1306765.6    5818.5565    48631.318    362.71904 0.0059224891 
-     550    48.242395    3934.5209    3211.9362    222.98504    722.58462    431.14864    581.46511     517.2025    39.188196   -265.47041    1306182.7   -1306763.6    8537.9404    48631.318    349.46863 0.0055762504 
-     600    52.542171    3714.8655    3121.0494    216.67532    593.81611    425.12998    539.89496    490.30508    34.564566   -305.82069    1306175.2   -1306765.5    7402.7677    48631.318    339.57967 0.0057486673 
-     650    56.830079    3516.2452    2930.7498    203.46399    585.49537    511.91461    512.48859    521.40636    37.766801   -391.65392    1306163.5     -1306770    381.72879    48631.318    318.87447 0.0054629243 
-     700    61.119511    3342.7694    2864.1576     198.8409     478.6118    451.54683    498.82407    489.17207     35.23127   -375.78886    1306153.8   -1306774.2    3691.2716    48631.318    311.62801 0.0071278731 
-     750    65.401576    3181.7673    2786.7104    193.46422    395.05691    409.83192    508.19542    454.56182    32.890716   -379.80692      1306149   -1306779.6    7428.3698    48631.318    303.20195  0.006233194 
-     800    69.680899    3032.4158    2699.8707    187.43547    332.54509    453.40673    486.16575     441.1235    32.847786   -437.39338    1306144.4     -1306788    1701.7652    48631.318    293.75377 0.0056528223 
-     850     73.96463    2898.4928    2563.6959    177.98169     334.7969    463.66637    486.19929    453.38803    34.062233   -455.86062    1306144.2   -1306790.9   -285.03665    48631.318     278.9376 0.0052777781 
-     900    78.229548    2780.3555    2528.3241    175.52604    252.03136    396.92692    451.76463    435.59744    33.035257   -413.46176    1306142.9   -1306794.7    3836.4341    48631.318    275.08801 0.0070306435 
-     950    82.482848    2679.3417    2456.8817    170.56624    222.45998    385.66656     434.6516    418.37977    32.156722    -387.2201    1306136.9   -1306798.1    5510.2309    48631.318    267.31515 0.0064042654 
-    1000    86.722726    2593.4365    2367.4477    164.35738    225.98882     427.8524    453.27435    415.48809    31.097577   -436.62051    1306131.8   -1306796.9    1166.3909    48631.318    257.58464 0.0059160543 
-    1050    90.888482    2524.7788    2305.0253    160.02377    219.75349    432.90807    438.86657    412.79356    30.892593   -414.29436    1306119.4   -1306800.8    1698.2687    48631.318    250.79245 0.0065593259 
-    1100    95.024656    2471.8176    2311.0953    160.44518    160.72227    378.43572     453.3435    392.48525    29.012472   -409.64374    1306119.6   -1306802.5      4190.91    48631.318    251.45323 0.0059713432 
-    1150    99.165724    2433.9279    2279.0766    158.22231     154.8513    395.30434    436.87933    414.39389    31.118973   -428.90902    1306110.2   -1306804.2    3274.8924    48631.318    247.96893 0.0069039065 
-    1200    103.31062    2411.3777    2238.4638    155.40282    172.91381    453.61551    460.27693    408.59237    31.237062   -482.78549    1306110.2   -1306808.2   -523.10179    48631.318    243.55012 0.0068754631 
-    1250    107.40149    2402.1932    2286.0576    158.70696    116.13565    416.44979    462.75875    391.75373    29.446705   -477.67214    1306102.2   -1306808.8    484.04837    48631.318    248.72579  0.011679749 
-    1300    111.55448    2406.5029    2261.2729    156.98631    145.23005    408.68043    437.74725     400.4567    30.448106   -418.44274    1306096.8   -1306810.5    4490.4165    48631.318    245.99228  0.076574936 
-    1350    115.71244    2459.1398    2317.5855    160.89575    141.55434    651.84862    447.40877    400.66793    29.060967   -461.45124    1305884.3   -1306810.3    693.59782    48631.318    250.14098    3.5622064 
-    1400    119.88515    2479.5991    2285.6701    158.68006      193.929    582.54021    457.54475    430.29254    30.183876   -449.49979    1305955.6   -1306812.8    930.31169    48631.318    247.21826    2.5935077 
-    1450    124.05689    2498.3537    2286.4924    158.73715    211.86128    434.79588     477.9598    402.79356    31.070492   -406.60813    1306086.4   -1306814.5    2933.4418    48631.318    248.74646  0.058608522 
-    1500    128.29115      2546.66    2423.6257    168.25747    123.03432    392.07474    456.01536    385.97457    29.255586   -417.92459    1306089.9   -1306812.3    3333.3497    48631.318      263.694  0.011243575 
-    1550    132.46344    2596.5481    2325.2227    161.42596    271.32542    462.52464    469.53612    461.20308    34.616094   -423.51186    1306080.4   -1306813.4    2155.0566    48631.318    252.98739  0.011191115 
-    1600    136.64497    2646.7844    2387.8797    165.77585    258.90469     424.6071    484.95314    449.56642    33.318144   -395.67454      1306077   -1306814.8    1291.5449    48631.318    259.80403  0.012426122 
-    1650    140.83234    2700.2847    2387.3033    165.73584    312.98138    431.00741    496.39504    455.52303    32.724808   -357.63815    1306070.3   -1306815.3    5007.2365    48631.318    259.70198  0.081729799 
-    1700    145.02103    2777.9556    2386.7756     165.6992    391.18003    636.61544    523.12627    482.84847    35.186128   -391.10505    1305919.7   -1306815.2    2192.7076    48631.318    258.14043    2.7318649 
-    1750    149.22218    2829.5998    2559.2796    177.67509    270.32019      684.587    479.93609    446.30457    31.888933   -385.84966    1305832.5   -1306819.1    1683.1471    48631.318    276.95798    2.6465587 
-    1800    153.41978     2835.768    2465.6959    171.17815    370.07208    470.05934    508.38934    479.71489    37.826868    -369.0767    1306062.8   -1306819.6    3023.0762    48631.318    268.22249  0.097440318 
-    1850    157.62632    2857.7601    2504.3893    173.86439    353.37083    436.06841    516.10132    487.71301    36.514956   -385.43181    1306078.9   -1306816.5    2950.5189    48631.318    272.47825  0.016816883 
-    1900     161.8372     2867.791    2528.8957    175.56572    338.89527    446.38065    509.27013    485.03036    37.283587   -402.68445    1306076.6   -1306812.9    3161.5045    48631.318     275.1476  0.011615474 
-    1950    166.10858      2861.34    2513.9103    174.52538     347.4297     470.9855    536.84666     467.9604    36.049051   -430.05716    1306079.3   -1306813.6    738.77866    48631.318    273.51233  0.020075246 
-    2000    170.32286    2838.0367    2530.4481     175.6735    307.58858    423.18694    516.91384    454.72628    35.048394   -387.67176    1306074.6   -1306809.3    4321.7103    48631.318    275.24492   0.13775419 
-Loop time of 170.323 on 1 procs for 2000 steps with 5500 atoms
-
-Performance: 0.507 ns/day, 47.312 hours/ns, 11.742 timesteps/s
-99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 105.66     | 105.66     | 105.66     |   0.0 | 62.04
-Bond    | 19.802     | 19.802     | 19.802     |   0.0 | 11.63
-Kspace  | 35.029     | 35.029     | 35.029     |   0.0 | 20.57
-Neigh   | 2.7502     | 2.7502     | 2.7502     |   0.0 |  1.61
-Comm    | 0.62654    | 0.62654    | 0.62654    |   0.0 |  0.37
-Output  | 0.006705   | 0.006705   | 0.006705   |   0.0 |  0.00
-Modify  | 6.3072     | 6.3072     | 6.3072     |   0.0 |  3.70
-Other   |            | 0.1366     |            |       |  0.08
-
-Nlocal:    5500 ave 5500 max 5500 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    15407 ave 15407 max 15407 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1.30509e+06 ave 1.30509e+06 max 1.30509e+06 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 1305088
-Ave neighs/atom = 237.289
-Ave special neighs/atom = 15.6364
-Neighbor list builds = 44
-Dangerous builds = 0
-Total wall time: 0:02:50
diff --git a/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4 b/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4
deleted file mode 100644
index 673f867ab4..0000000000
--- a/examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4
+++ /dev/null
@@ -1,259 +0,0 @@
-LAMMPS (11 Aug 2017)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# 250 toluene system for drude polarizability example (Nose-Hoover)
-
-units real
-boundary p p p
-
-atom_style full
-bond_style harmonic
-angle_style harmonic
-dihedral_style opls
-improper_style opls
-special_bonds lj/coul 0.0 0.0 0.5
-
-pair_style lj/cut/thole/long 2.600 8.0 8.0
-pair_modify mix geometric tail yes
-kspace_style pppm 1.0e-4
-
-read_data data.toluene extra/special/per/atom 1
-  orthogonal box = (-18.2908 -18.1636 -18.223) to (18.3357 18.1621 18.3287)
-  2 by 1 by 2 MPI processor grid
-  reading atoms ...
-  5500 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  8 = max dihedrals/atom
-  scanning impropers ...
-  2 = max impropers/atom
-  reading bonds ...
-  5500 bonds
-  reading angles ...
-  6000 angles
-  reading dihedrals ...
-  6000 dihedrals
-  reading impropers ...
-  1500 impropers
-  5 = max # of 1-2 neighbors
-  10 = max # of 1-3 neighbors
-  16 = max # of 1-4 neighbors
-  20 = max # of special neighbors
-
-comm_modify vel yes
-
-group gTOLUENE molecule 1:250
-5500 atoms in group gTOLUENE
-group gCORES type 1 2 3 4 5 6 7
-3750 atoms in group gCORES
-group gDRUDES type 8 9 10 11 12
-1750 atoms in group gDRUDES
-
-pair_coeff    1    1 0.069998 3.550000 1.620000 # CAT CAT
-pair_coeff    1    2 0.069998 3.550000 1.620000 # CAT CAO
-pair_coeff    1    3 0.069998 3.550000 1.620000 # CAT CAM
-pair_coeff    1    4 0.069998 3.550000 1.620000 # CAT CAP
-pair_coeff    1    5 0.067968 3.524911 1.620000 # CAT CTT
-pair_coeff    1    6 0.045825 2.931041 0.000000 # CAT HAT
-pair_coeff    1    7 0.045825 2.931041 0.000000 # CAT HT
-pair_coeff    2    2 0.069998 3.550000 1.620000 # CAO CAO
-pair_coeff    2    3 0.069998 3.550000 1.620000 # CAO CAM
-pair_coeff    2    4 0.069998 3.550000 1.620000 # CAO CAP
-pair_coeff    2    5 0.067968 3.524911 1.620000 # CAO CTT
-pair_coeff    2    6 0.045825 2.931041 0.000000 # CAO HAT
-pair_coeff    2    7 0.045825 2.931041 0.000000 # CAO HT
-pair_coeff    3    3 0.069998 3.550000 1.620000 # CAM CAM
-pair_coeff    3    4 0.069998 3.550000 1.620000 # CAM CAP
-pair_coeff    3    5 0.067968 3.524911 1.620000 # CAM CTT
-pair_coeff    3    6 0.045825 2.931041 0.000000 # CAM HAT
-pair_coeff    3    7 0.045825 2.931041 0.000000 # CAM HT
-pair_coeff    4    4 0.069998 3.550000 1.620000 # CAP CAP
-pair_coeff    4    5 0.067968 3.524911 1.620000 # CAP CTT
-pair_coeff    4    6 0.045825 2.931041 0.000000 # CAP HAT
-pair_coeff    4    7 0.045825 2.931041 0.000000 # CAP HT
-pair_coeff    5    5 0.065997 3.500000 1.620000 # CTT CTT
-pair_coeff    5    6 0.044496 2.910326 0.000000 # CTT HAT
-pair_coeff    5    7 0.044496 2.910326 0.000000 # CTT HT
-pair_coeff    6    6 0.029999 2.420000 0.000000 # HAT HAT
-pair_coeff    6    7 0.029999 2.420000 0.000000 # HAT HT
-pair_coeff    7    7 0.029999 2.420000 0.000000 # HT HT
-pair_coeff    1    8 0.000000 0.000000 1.620000 # CAT D_CAT
-pair_coeff    1    9 0.000000 0.000000 1.620000 # CAT D_CAO
-pair_coeff    1   10 0.000000 0.000000 1.620000 # CAT D_CAM
-pair_coeff    1   11 0.000000 0.000000 1.620000 # CAT D_CAP
-pair_coeff    1   12 0.000000 0.000000 1.620000 # CAT D_CTT
-pair_coeff    2    8 0.000000 0.000000 1.620000 # CAO D_CAT
-pair_coeff    2    9 0.000000 0.000000 1.620000 # CAO D_CAO
-pair_coeff    2   10 0.000000 0.000000 1.620000 # CAO D_CAM
-pair_coeff    2   11 0.000000 0.000000 1.620000 # CAO D_CAP
-pair_coeff    2   12 0.000000 0.000000 1.620000 # CAO D_CTT
-pair_coeff    3    8 0.000000 0.000000 1.620000 # CAM D_CAT
-pair_coeff    3    9 0.000000 0.000000 1.620000 # CAM D_CAO
-pair_coeff    3   10 0.000000 0.000000 1.620000 # CAM D_CAM
-pair_coeff    3   11 0.000000 0.000000 1.620000 # CAM D_CAP
-pair_coeff    3   12 0.000000 0.000000 1.620000 # CAM D_CTT
-pair_coeff    4    8 0.000000 0.000000 1.620000 # CAP D_CAT
-pair_coeff    4    9 0.000000 0.000000 1.620000 # CAP D_CAO
-pair_coeff    4   10 0.000000 0.000000 1.620000 # CAP D_CAM
-pair_coeff    4   11 0.000000 0.000000 1.620000 # CAP D_CAP
-pair_coeff    4   12 0.000000 0.000000 1.620000 # CAP D_CTT
-pair_coeff    5    8 0.000000 0.000000 1.620000 # CTT D_CAT
-pair_coeff    5    9 0.000000 0.000000 1.620000 # CTT D_CAO
-pair_coeff    5   10 0.000000 0.000000 1.620000 # CTT D_CAM
-pair_coeff    5   11 0.000000 0.000000 1.620000 # CTT D_CAP
-pair_coeff    5   12 0.000000 0.000000 1.620000 # CTT D_CTT
-pair_coeff    8    8 0.000000 0.000000 1.620000 # D_CAT D_CAT
-pair_coeff    8    9 0.000000 0.000000 1.620000 # D_CAT D_CAO
-pair_coeff    8   10 0.000000 0.000000 1.620000 # D_CAT D_CAM
-pair_coeff    8   11 0.000000 0.000000 1.620000 # D_CAT D_CAP
-pair_coeff    8   12 0.000000 0.000000 1.620000 # D_CAT D_CTT
-pair_coeff    9    9 0.000000 0.000000 1.620000 # D_CAO D_CAO
-pair_coeff    9   10 0.000000 0.000000 1.620000 # D_CAO D_CAM
-pair_coeff    9   11 0.000000 0.000000 1.620000 # D_CAO D_CAP
-pair_coeff    9   12 0.000000 0.000000 1.620000 # D_CAO D_CTT
-pair_coeff   10   10 0.000000 0.000000 1.620000 # D_CAM D_CAM
-pair_coeff   10   11 0.000000 0.000000 1.620000 # D_CAM D_CAP
-pair_coeff   10   12 0.000000 0.000000 1.620000 # D_CAM D_CTT
-pair_coeff   11   11 0.000000 0.000000 1.620000 # D_CAP D_CAP
-pair_coeff   11   12 0.000000 0.000000 1.620000 # D_CAP D_CTT
-pair_coeff   12   12 0.000000 0.000000 1.620000 # D_CTT D_CTT
-
-
-neighbor 2.0 bin
-
-variable vTEMP   equal 260.0
-variable vTEMP_D equal 1.0
-variable vPRESS  equal 1.0
-
-velocity gCORES  create ${vTEMP} 12345
-velocity gCORES  create 260 12345
-velocity gDRUDES create ${vTEMP_D} 12345
-velocity gDRUDES create 1 12345
-
-fix fDRUDE all drude C C C C C N N D D D D D
-
-fix fSHAKE gCORES shake 0.0001 20 0 b 4 6 7 8
-  1250 = # of size 2 clusters
-  0 = # of size 3 clusters
-  250 = # of size 4 clusters
-  0 = # of frozen angles
-
-compute cTEMP_CORE gCORES temp/com
-compute cTEMP all temp/drude
-
-fix fDIRECT all drude/transform/direct
-fix fNVT1 gCORES nvt temp ${vTEMP} ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 ${vTEMP} 100.0
-fix fNVT1 gCORES nvt temp 260 260 100.0
-fix fNVT2 gDRUDES nvt temp ${vTEMP_D} ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 ${vTEMP_D} 20.0
-fix fNVT2 gDRUDES nvt temp 1 1 20.0
-fix fINVERSE all drude/transform/inverse
-
-fix fMOMENTUM all momentum 100 linear 1 1 1
-
-thermo_style custom step cpu etotal ke temp pe ebond eangle edihed eimp evdwl ecoul elong press vol c_cTEMP[1] c_cTEMP[2]
-thermo 50
-
-timestep 0.5
-run 2000
-PPPM initialization ...
-WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)
-  G vector (1/distance) = 0.382011
-  grid = 40 40 40
-  stencil order = 5
-  estimated absolute RMS force accuracy = 0.0325934
-  estimated relative force accuracy = 9.8154e-05
-  using double precision FFTs
-  3d grid and FFT values/proc = 34263 16000
-Rebuild special list taking Drude particles into account
-Old max number of 1-2 to 1-4 neighbors: 19
-New max number of 1-2 to 1-4 neighbors: 20 (+1)
-Neighbor list info ...
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 10
-  ghost atom cutoff = 10
-  binsize = 5, bins = 8 8 8
-  1 neighbor lists, perpetual/occasional/extra = 1 0 0
-  (1) pair lj/cut/thole/long, perpetual
-      attributes: half, newton on
-      pair build: half/bin/newton
-      stencil: half/bin/3d/newton
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 18 | 18 | 18 Mbytes
-Step CPU TotEng KinEng Temp PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long Press Volume c_cTEMP[1] c_cTEMP[2] 
-       0            0    14386.197    2910.7282    202.07402    11475.469    6565.4851    20.333365 1.0706727e-06 1.3894617e-07    4972.8631    1306116.6   -1306199.8     40273.68    48631.318    314.89553    3.1777821 
-      50    1.1419601    6863.6417    4633.9267    321.70512     2229.715     735.2547    604.69459    648.35773    49.039129    824.06033    1306091.3   -1306722.9    17914.827    48631.318    504.18525 0.0086839775 
-     100    2.3001912    6628.0719    4376.1868    303.81182    2251.8851    598.11248    651.43051    919.41359    74.216825     589.6504    1306135.1     -1306716    17450.721    48631.318    476.14276 0.0075129701 
-     150     3.473469    6336.1884    4726.0692    328.10201    1610.1192    560.01225    621.30109    640.32474    45.531174    288.99129    1306173.9     -1306720    18303.624    48631.318    514.21215  0.006192153 
-     200    4.6296241    5997.6192    4565.6288    316.96362    1431.9903    524.27651    591.79844    718.11014    56.374557     88.66084      1306183   -1306730.3    17986.183    48631.318    496.75522 0.0068120542 
-     250    5.7982912    5648.1756    4433.1557    307.76682    1215.0199    502.13686     578.8537    665.27326    49.096119   -19.019961    1306179.2   -1306740.5    11771.328    48631.318    482.34141 0.0071619522 
-     300    6.9468622    5317.8583    4075.2077    282.91669    1242.6505    602.55113    637.40818    647.27073    44.769725   -123.22347    1306183.3   -1306749.5    3571.1872    48631.318     443.3952 0.0071733908 
-     350    8.0925181    4996.7094    3935.7988    273.23838    1060.9106    455.75195     634.3655    638.77824    45.831051   -157.63039    1306198.1   -1306754.3    13525.265    48631.318    428.22739 0.0063722017 
-     400    9.2309761    4695.9294    3742.6584    259.82983    953.27093    457.49585    620.73048    591.94413    42.495714   -183.91838    1306186.7   -1306762.2    10901.217    48631.318    407.21326    0.0057875 
-     450    10.363872    4417.8018    3513.6374     243.9303     904.1644    519.61261    580.76003    624.06933    45.631272   -286.60025    1306184.3   -1306763.6    2956.9021    48631.318    382.29485 0.0057536673 
-     500    11.493601    4165.0005    3333.7203    231.43976    831.28022    465.52341    579.36085    580.60004    42.345149   -254.82269    1306183.9   -1306765.6    5818.5549    48631.318    362.71904 0.0059224858 
-     550    12.636785    3934.5207    3211.9362    222.98504    722.58446    431.14864    581.46511    517.20249    39.188194    -265.4704    1306182.7   -1306763.6    8537.9415    48631.318    349.46863 0.0055762027 
-     600    13.759642    3714.8658    3121.0493    216.67532    593.81649    425.12998    539.89497    490.30506    34.564567   -305.82067    1306175.2   -1306765.5    7402.7688    48631.318    339.57967  0.005748668 
-     650    14.880794    3516.2453    2930.7499      203.464    585.49542    511.91457    512.48857    521.40634    37.766798   -391.65394    1306163.5     -1306770    381.72898    48631.318    318.87448 0.0054629381 
-     700     15.99791    3342.7693    2864.1576     198.8409    478.61174    451.54685    498.82406    489.17206    35.231269   -375.78888    1306153.8   -1306774.2    3691.2706    48631.318    311.62801 0.0071278792 
-     750    17.111346    3181.7665    2786.7104    193.46422    395.05608    409.83191    508.19537    454.56183    32.890719   -379.80694      1306149   -1306779.6    7428.3698    48631.318    303.20196 0.0062331873 
-     800    18.219225    3032.4162    2699.8707    187.43547    332.54543    453.40674    486.16573    441.12346    32.847783   -437.39291    1306144.4     -1306788    1701.7675    48631.318    293.75377 0.0056528077 
-     850    19.320825    2898.4936    2563.6961     177.9817    334.79757    463.66634    486.19928    453.38802    34.062236   -455.86081    1306144.2   -1306790.9   -285.04073    48631.318    278.93762 0.0052778244 
-     900     20.41979    2780.3551    2528.3241    175.52604    252.03099    396.92693     451.7645    435.59756    33.035261   -413.46181    1306142.9   -1306794.7    3836.4347    48631.318    275.08801 0.0070307677 
-     950    21.517533    2679.3418    2456.8821    170.56626    222.45967    385.66649     434.6516    418.37957    32.156706   -387.22039    1306136.9   -1306798.1    5510.2277    48631.318    267.31518 0.0064041284 
-    1000    22.614275     2593.435    2367.4471    164.35734    225.98798    427.85237    453.27432    415.48822    31.097611   -436.61808    1306131.8   -1306796.9    1166.3709    48631.318    257.58457 0.0059160188 
-    1050    23.688642    2524.7784    2305.0257     160.0238    219.75264    432.90797     438.8666    412.79338    30.892595   -414.29467    1306119.4   -1306800.8    1698.2602    48631.318     250.7925 0.0065595368 
-    1100    24.750163     2471.818     2311.095    160.44516    160.72297    378.43554     453.3434      392.485    29.012487   -409.64322    1306119.6   -1306802.5    4190.9174    48631.318     251.4532 0.0059713928 
-    1150    25.813605    2433.9311    2279.0768    158.22233    154.85433    395.30409    436.87935    414.39367    31.118959   -428.90913    1306110.2   -1306804.2    3274.9237    48631.318    247.96895 0.0069037916 
-    1200    26.876952    2411.3772    2238.4639    155.40283    172.91329    453.61525    460.27658    408.59192    31.237007   -482.78468    1306110.2   -1306808.2   -523.10237    48631.318    243.55013 0.0068752641 
-    1250    27.929701    2402.1937    2286.0559    158.70685    116.13778    416.44884    462.75935    391.75448    29.446777    -477.6718    1306102.2   -1306808.8     484.0561    48631.318    248.72561  0.011679662 
-    1300    29.000999    2406.5014     2261.274    156.98639    145.22737      408.678    437.74824    400.45662    30.448139   -418.44472    1306096.8   -1306810.5    4490.4105    48631.318     245.9924  0.076575975 
-    1350     30.07322     2459.141    2317.5852    160.89573    141.55579    651.85736    447.40791    400.66662    29.060882   -461.45016    1305884.3   -1306810.3     693.5247    48631.318    250.14112    3.5619231 
-    1400     31.14859    2479.6103    2285.6714    158.68015    193.93893    582.54135    457.54445    430.29301    30.184026   -449.49877    1305955.6   -1306812.8    930.44669    48631.318    247.21806    2.5941109 
-    1450    32.226914     2498.357    2286.4857    158.73668    211.87137    434.79636    477.95951    402.79572    31.070593   -406.60139    1306086.4   -1306814.5    2933.5045    48631.318    248.74572  0.058613153 
-    1500    33.410717    2546.6608    2423.6247    168.25741    123.03609    392.07322    456.01243    385.97344    29.255562   -417.91413    1306089.9   -1306812.3     3333.391    48631.318     263.6939  0.011242005 
-    1550    34.466176    2596.5534    2325.2208    161.42583    271.33259    462.52172    469.54241    461.20405    34.616224   -423.51068    1306080.4   -1306813.4    2155.1194    48631.318    252.98718  0.011190963 
-    1600    35.524206    2646.7837    2387.8846    165.77619     258.8991    424.60563    484.95051    449.57767    33.318683   -395.68293      1306077   -1306814.8      1291.42    48631.318    259.80456   0.01242131 
-    1650    36.582854    2700.2921    2387.3119    165.73643    312.98026    431.01369    496.39909    455.52591    32.725057   -357.65832    1306070.3   -1306815.3    5006.9348    48631.318    259.70291  0.081728845 
-    1700    37.641527    2777.9572    2386.7777    165.69934     391.1795    636.55763    523.11512     482.8483    35.185863    -391.0955    1305919.8   -1306815.2    2192.6733    48631.318     258.1403    2.7324891 
-    1750    38.722299    2829.6167    2559.2488    177.67295    270.36793    684.60746    479.95058    446.29664    31.887359   -385.83616    1305832.5     -1306819    1683.6061    48631.318      276.955    2.6459088 
-    1800    39.800548    2835.7772    2465.7031    171.17865    370.07414    470.05306    508.38361    479.70121    37.826988    -369.0694    1306062.8   -1306819.6    3022.9801    48631.318    268.22328  0.097437593 
-    1850    40.878327      2857.76    2504.4099    173.86582    353.35016    436.05857    516.10495    487.70907    36.514477   -385.43957    1306078.9   -1306816.5    2950.6415    48631.318    272.48049  0.016822774 
-    1900      41.9583    2867.7843    2528.8424    175.56202    338.94193    446.38058    509.30719    485.04661    37.284135   -402.67104    1306076.5   -1306812.9    3161.5835    48631.318     275.1418  0.011620333 
-    1950    43.058281    2861.3388    2513.8846     174.5236    347.45414    470.99292    536.81741    467.97736    36.047648   -430.00695    1306079.3   -1306813.6    739.25154    48631.318    273.50953  0.020089235 
-    2000    44.142059     2838.068    2530.3189    175.66453    307.74914    423.19157    516.85371    454.76945    35.048253   -387.49234    1306074.6   -1306809.3    4324.0966    48631.318    275.23081   0.13784772 
-Loop time of 44.1421 on 4 procs for 2000 steps with 5500 atoms
-
-Performance: 1.957 ns/day, 12.262 hours/ns, 45.308 timesteps/s
-99.7% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 21.008     | 22.592     | 23.892     |  21.7 | 51.18
-Bond    | 4.8951     | 5.1338     | 5.2542     |   6.4 | 11.63
-Kspace  | 9.1158     | 10.514     | 12.296     |  35.3 | 23.82
-Neigh   | 0.63826    | 0.63849    | 0.63875    |   0.0 |  1.45
-Comm    | 0.78008    | 0.80146    | 0.84186    |   2.7 |  1.82
-Output  | 0.0036852  | 0.0040929  | 0.0052037  |   1.0 |  0.01
-Modify  | 4.3966     | 4.4074     | 4.4147     |   0.3 |  9.98
-Other   |            | 0.05088    |            |       |  0.12
-
-Nlocal:    1375 ave 1415 max 1340 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Nghost:    8101 ave 8147 max 8056 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Neighs:    326274 ave 342552 max 306832 min
-Histogram: 1 0 0 0 1 0 1 0 0 1
-
-Total # of neighbors = 1305095
-Ave neighs/atom = 237.29
-Ave special neighs/atom = 15.6364
-Neighbor list builds = 44
-Dangerous builds = 0
-Total wall time: 0:00:44

From 7d3caaa1a41c12acdd97e482308833a1bf7de7d3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 11:24:35 -0500
Subject: [PATCH 269/273] step version date for stable release on wednesday

---
 doc/src/Manual.txt | 4 ++--
 src/version.h      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt
index 6fcd5d1f49..bbbc11a1ba 100644
--- a/doc/src/Manual.txt
+++ b/doc/src/Manual.txt
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="7 Dec 2018 version">
+<META NAME="docnumber" CONTENT="12 Dec 2018 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 :line
 
 LAMMPS Documentation :c,h1
-7 Dec 2018 version :c,h2
+12 Dec 2018 version :c,h2
 
 "What is a LAMMPS version?"_Manual_version.html
 
diff --git a/src/version.h b/src/version.h
index 4bbc739421..9b4a006f86 100644
--- a/src/version.h
+++ b/src/version.h
@@ -1 +1 @@
-#define LAMMPS_VERSION "7 Dec 2018"
+#define LAMMPS_VERSION "12 Dec 2018"

From fb08d3ea46e913cb8042adb7261c15bf519760be Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 11:25:24 -0500
Subject: [PATCH 270/273] ignore MSCG build folder more generally

---
 lib/mscg/.gitignore | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/mscg/.gitignore b/lib/mscg/.gitignore
index 7d45bcb60a..6c9a531977 100644
--- a/lib/mscg/.gitignore
+++ b/lib/mscg/.gitignore
@@ -1,4 +1,4 @@
 # files to ignore
 /liblink
 /includelink
-/MSCG-release-master
+/MSCG-release-*

From 52a1f257c530acb5036c4309b75d0141b5f58fb2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 14:19:03 -0500
Subject: [PATCH 271/273] fix typo

---
 doc/src/Tools.txt                           | 2 +-
 doc/utils/sphinx-config/false_positives.txt | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/doc/src/Tools.txt b/doc/src/Tools.txt
index d2e53d8b77..9204ae992a 100644
--- a/doc/src/Tools.txt
+++ b/doc/src/Tools.txt
@@ -485,7 +485,7 @@ README for more info on Pizza.py and how to use these scripts.
 
 reax tool :h4,link(reax_tool)
 
-The reax sub-directory contains stand-alond codes that can
+The reax sub-directory contains stand-alone codes that can
 post-process the output of the "fix reax/bonds"_fix_reax_bonds.html
 command from a LAMMPS simulation using "ReaxFF"_pair_reax.html.  See
 the README.txt file for more info.
diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index de60206304..08e106f6d7 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -63,7 +63,6 @@ aliceblue
 allocaters
 allosws
 AlO
-alond
 Alonso
 amap
 Amatrix

From 052828284d48eab2f7ee2ce1cfc586b10623d871 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 14:53:31 -0500
Subject: [PATCH 272/273] fix typo

---
 doc/src/Build_extras.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt
index 60bb5bbfea..58ae16a372 100644
--- a/doc/src/Build_extras.txt
+++ b/doc/src/Build_extras.txt
@@ -621,8 +621,8 @@ The USER-ATC package requires the MANYBODY package also be installed.
 
 [CMake build]:
 
-No additional settings are needed besides "-D PKG_REAX=yes" and "-D
-PKG_MANYBODY=yes".
+No additional settings are needed besides "-D PKG_USER-ATC=yes"
+and "-D PKG_MANYBODY=yes".
 
 [Traditional make]:
 

From 8422bf64fa094e29abead130365d93a3a91aee19 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 10 Dec 2018 17:42:38 -0500
Subject: [PATCH 273/273] prevent configuring -D PKG_USER-ATC=yes with -D
 LAMMPS_SIZES=bigbig in CMake

---
 cmake/CMakeLists.txt | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 7ee1b7f521..e950db99c5 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -221,7 +221,7 @@ else()
 endif()
 
 
-set(LAMMPS_SIZES "smallbig" CACHE STRING "LAMMPS size limit")
+set(LAMMPS_SIZES "smallbig" CACHE STRING "LAMMPS integer sizes (smallsmall: all 32-bit, smallbig: 64-bit #atoms #timesteps, bigbig: also 64-bit imageint, 64-bit atom ids)")
 set(LAMMPS_SIZES_VALUES smallbig bigbig smallsmall)
 set_property(CACHE LAMMPS_SIZES PROPERTY STRINGS ${LAMMPS_SIZES_VALUES})
 validate_option(LAMMPS_SIZES LAMMPS_SIZES_VALUES)
@@ -856,6 +856,9 @@ if(PKG_USER-AWPMD)
 endif()
 
 if(PKG_USER-ATC)
+  if(LAMMPS_SIZES STREQUAL BIGBIG)
+    message(FATAL_ERROR "The USER-ATC Package is not compatible with -DLAMMPS_BIGBIG")
+  endif()
   target_link_libraries(atc ${LAPACK_LIBRARIES})
 endif()